A0A087XGW8_POEFO Loading...

GRAM domain containing 1A

AlphaFold DB , UniProt , Accession A0A087XGW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 808 aa.

						>A0A087XGW8_POEFO|A0A087XGW8
MLMCSCEKVDFSIGSRTVARLVFEAEQDSRTAGNSSNGSTASNSPRSTPGSSPSLRRRVLGGGKASEGEAGGGGADSPLPSVPSASSLSSAYPLASRHFSRNAKKMQSWYNVLSPTYKQRNEDFRKIFKKLPDSERLIVDYSCALQKDILLQGRLYLSENWLCFYSNIFRWETTITIQLKDVTSMTKEKTAKLIPNAIQISTDSEKHFFTSFGARERSFMMIFRLWQNALLDKSLSPKELWHIVHQCYGTELGLTSEDDDYVSPTSEHLNGLLPGEESVSVTDLLDLSTVSAPSAGSSPPHVSVHCGLTSPASAPILSGAFPPPSAACQPIEVPSSSGSRPGPEPMEPSPPSCHGSLLALTPPITASVSAAASFTLEEGGDSQSESTNHMPPPPAASLGNLSSLDITNDEELPTDPSNSSDTQEETSGEVEAFCSDLSGRLNINTAVRMSVDKLHDLLFSADTHFIQHLFSQRHFTDLSVGEWQQDGASGTSSRVLSYTIALNNPLGPKTAPVVETQTLHKSCSRGECYVVDSEVLTSGIPYQDYFYTVHRYCLTSISKHKSRLRVSSDICYRKQPWSLVKALIEKNTWSGIEEYYRNMESEVCKLETLLQTEVSVVTTGEAAGADAAKTPPSLRRRKRASSRRQSEREGGGAEAGDRGERGVGEERNRREASAPFLKLGERGRAGGHGGISTVLLIVSFILVVLVALNMLLFYKLYALERAAHTLERWHSYSVADSPLPQTAGEWAQVLHLQRQFHQAQLSKWQQILQSSVSLLDQMKHSLEKLHRNIVVPDREPDPSVDTESLSET
					

Structure Viewer

Loading PAE data...

(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	36.8	Very low	26.8	Very low	252 Å²	252	163.8 Å²	163.8	100%	1.241	87%	0.871	S	S	*	*				0	133.1	0	-75	165.1	169.4	0	0	107.3
2	L	26	Very low	26.8	Very low	180 Å²	180	159.9 Å²	159.9	94%	0.942	87%	0.867	S	S	*	*			trans	-91.3	143.4	-178.2	-81.9	157.2	0	0	0	110.4
3	M	28.3	Very low	27.2	Very low	186 Å²	186	155.5 Å²	155.5	92%	0.916	84%	0.841	S	S	*	*			trans	-79	153.6	160.2	-63.1	-156.8	-151.6	0	0	109.7
4	C	24.9	Very low	27.6	Very low	131 Å²	131	147.2 Å²	147.2	89%	0.885	81%	0.809	S	S	*	*			trans	-149.5	136.6	149.5	-139	0	0	0	0	109.3
5	S	28.7	Very low	28.1	Very low	116 Å²	116	142.5 Å²	142.5	81%	0.811	79%	0.791	S	S	*	*			trans	-74.7	160.1	173	-58.8	0	0	0	0	110.7
6	C	24.7	Very low	28.6	Very low	130 Å²	130	144.9 Å²	144.9	88%	0.878	78%	0.784	S	S	*	*			trans	-139	120.1	158.1	-156.1	0	0	0	0	108.4
7	E	24.6	Very low	29.2	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.813	76%	0.763	S	S	*	*			trans	-72.3	142.8	-179.7	-74.3	161.6	88.1	0	0	111	V9	E7-V9 PolarHBondContact O-N 3.31Å
8	K	25.7	Very low	29.9	Very low	199 Å²	199	136 Å²	136	87%	0.865	74%	0.741	S	S	*	*			trans	-87.8	91.6	173.3	-161.2	179.3	-175.5	-171.8	0	108.4	D10	K8-D10 PolarHBondContact O-N 3.11Å
9	V	24.8	Very low	30.3	Very low	107 Å²	107	131.6 Å²	131.6	65%	0.648	72%	0.724	S	S	*	*			trans	-69	115.2	-178.2	179.8	0	0	0	0	110.4	E7 F11	E7-V9 PolarHBondContact O-N 3.31Å; V9-F11 HydrophobicContact CG1-CD2 4.13Å; V9-F11 HydrophobicContact CG1-CE2 4.16Å; V9-F11 PolarHBondContact O-N 2.88Å
10	D	24.4	Very low	30.6	Very low	152 Å²	152	133.1 Å²	133.1	81%	0.813	72%	0.719	S	S	*	*			trans	-72.6	104.3	171.5	-76	-46.5	0	0	0	110.4	K8 S12	K8-D10 PolarHBondContact O-N 3.11Å; D10-S12 PolarHBondContact O-N 3.24Å
11	F	25.9	Very low	30.9	Very low	175 Å²	175	131.4 Å²	131.4	77%	0.768	71%	0.709	S	S	*	*			trans	-75.2	92	172.2	-99.8	-93.7	0	0	0	110.6	V9 I13	V9-F11 HydrophobicContact CG1-CD2 4.13Å; V9-F11 HydrophobicContact CG1-CE2 4.16Å; V9-F11 PolarHBondContact O-N 2.88Å; F11-I13 PolarHBondContact O-N 3Å
12	S	26.3	Very low	31.1	Very low	117 Å²	117	123.7 Å²	123.7	82%	0.818	68%	0.676	S	S	*	*			trans	-68.5	95.2	165.2	-173.9	0	0	0	0	109.8	D10 G14	D10-S12 PolarHBondContact O-N 3.24Å; S12-G14 PolarHBondContact O-N 3Å
13	I	33.1	Very low	31.7	Very low	103 Å²	103	121.7 Å²	121.7	53%	0.528	66%	0.66	S	S	.	*			trans	-78	86.8	176.5	-58.5	-179.5	0	0	0	108.3	F11 T17 V18	F11-I13 PolarHBondContact O-N 3Å; I13-T17 HydrophobicContact CG2-CG2 3.78Å; I13-V18 HydrophobicContact CG2-CG2 4.38Å
14	G	31.7	Very low	32	Very low	39 Å²	39	116.2 Å²	116.2	40%	0.402	63%	0.632	S	S	.	*			trans	-58.4	148.9	178.1	0	0	0	0	0	113	S12 R16 T17	S12-G14 PolarHBondContact O-N 3Å; G14-R16 PolarHBondContact O-N 2.76Å; G14-T17 PolarHBondContact O-N 3.37Å
15	S	35.6	Very low	32.5	Very low	76 Å²	76	113.5 Å²	113.5	53%	0.531	62%	0.619	S	S	.	*	H	α-helix	trans	-54.9	-24.4	-165.4	-34.3	0	0	0	0	115.4	T17 V18 A19	S15-T17 VanDerWaalsContact C-N 3.27Å; S15-T17 PolarHBondContact O-N 3.16Å; S15-V18 PolarHBondContact O-N 3.5Å; S15-A19 PolarHBondContact O-N 3.09Å; S15-A19 VanDerWaalsContact O-N 3.07Å
16	R	36.3	Very low	33	Very low	182 Å²	182	113 Å²	113	69%	0.687	60%	0.604	S	S	*	*	H	α-helix	trans	-59.7	-33.5	173.1	-69.8	-174.6	174.5	-176.8	-0.2	113.1	G14 R20 D232	G14-R16 PolarHBondContact O-N 2.76Å; R16-R20 PolarHBondContact O-N 2.97Å; R16-D232 IonicContact NH2-OD2 2.98Å
17	T	38	Very low	33.4	Very low	69 Å²	69	111.7 Å²	111.7	42%	0.423	59%	0.585	S	S	.	*	H	α-helix	trans	-75.5	-35.3	177.4	-54.3	0	0	0	0	111.6	I13 G14 S15 R20 L21	I13-T17 HydrophobicContact CG2-CG2 3.78Å; G14-T17 PolarHBondContact O-N 3.37Å; S15-T17 VanDerWaalsContact C-N 3.27Å; S15-T17 PolarHBondContact O-N 3.16Å; T17-R20 PolarHBondContact O-N 2.86Å; T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.9Å
18	V	42.6	Very low	33.7	Very low	60 Å²	60	109.5 Å²	109.5	36%	0.364	58%	0.579	S	S	.	*	H	α-helix	trans	-64.3	-45.9	175	-176.8	0	0	0	0	110.4	I13 S15 R20 L21 V22	I13-V18 HydrophobicContact CG2-CG2 4.38Å; S15-V18 PolarHBondContact O-N 3.5Å; V18-R20 VanDerWaalsContact C-N 3.26Å; V18-R20 PolarHBondContact O-N 2.88Å; V18-L21 PolarHBondContact O-N 3.46Å; V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 3.37Å
19	A	37.8	Very low	34.1	Very low	52 Å²	52	104.2 Å²	104.2	43%	0.43	57%	0.567	S	S	.	*	H	α-helix	trans	-58	-38.1	175.2	0	0	0	0	0	112.7	S15 F23	S15-A19 PolarHBondContact O-N 3.09Å; S15-A19 VanDerWaalsContact O-N 3.07Å; A19-F23 PolarHBondContact O-N 3.26Å
20	R	36.8	Very low	34.7	Very low	161 Å²	161	107.5 Å²	107.5	61%	0.608	57%	0.567	S	S	*	*	H	α-helix	trans	-67.2	-46.2	175.6	180	177.1	171.6	154.1	7.2	112.7	R16 T17 V18 V22 F23 E24	R16-R20 PolarHBondContact O-N 2.97Å; T17-R20 PolarHBondContact O-N 2.86Å; V18-R20 VanDerWaalsContact C-N 3.26Å; V18-R20 PolarHBondContact O-N 2.88Å; R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 3.32Å; R20-F23 WeakPolarHBondContact O-CB 3.42Å; R20-F23 PolarHBondContact O-N 2.93Å; R20-F23 VanDerWaalsContact O-N 3.09Å; R20-E24 HydrophobicContact CG-CG 4.44Å; R20-E24 IonicContact CZ-OE1 3.6Å; R20-E24 IonicContact NE-OE1 3.47Å; R20-E24 PolarHBondContact NE-OE1 3.5Å; R20-E24 IonicContact NE-OE2 2.78Å; R20-E24 IonicContact NH2-OE1 2.75Å; R20-E24 PolarHBondContact NH2-OE1 3.24Å; R20-E24 PolarHBondContact O-N 2.85Å
21	L	35.3	Very low	35.1	Very low	99 Å²	99	105 Å²	105	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-34.2	179.8	-71.2	169.1	0	0	0	112.5	T17 V18 F23 A25	T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.9Å; V18-L21 PolarHBondContact O-N 3.46Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-A25 VanDerWaalsContact O-CB 3.26Å; L21-A25 WeakPolarHBondContact O-CB 3.31Å; L21-A25 PolarHBondContact O-N 2.86Å
22	V	41.8	Very low	35.4	Very low	90 Å²	90	101.6 Å²	101.6	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-66.2	-36.9	172	172.6	0	0	0	0	111.4	V18 R20 E26	V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 3.37Å; R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 3.32Å; V22-E26 PolarHBondContact O-N 2.92Å
23	F	38.7	Very low	35.7	Very low	137 Å²	137	99 Å²	99	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-68.3	-48.3	176.8	-161.4	-88	0	0	0	111.8	A19 R20 L21 A25 E26 Q27	A19-F23 PolarHBondContact O-N 3.26Å; R20-F23 WeakPolarHBondContact O-CB 3.42Å; R20-F23 PolarHBondContact O-N 2.93Å; R20-F23 VanDerWaalsContact O-N 3.09Å; L21-F23 VanDerWaalsContact C-N 3.34Å; F23-A25 PolarHBondContact O-N 3.48Å; F23-E26 PolarHBondContact O-N 2.92Å; F23-Q27 WeakPolarHBondContact O-CB 3.4Å; F23-Q27 PolarHBondContact O-N 3.45Å
24	E	34.3	Very low	35.5	Very low	71 Å²	71	101.7 Å²	101.7	33%	0.332	57%	0.569	S	S	.	*	H	α-helix	trans	-61	-42.8	178.3	-71.8	168.5	161.3	0	0	111.1	R20 E26 Q27 D28	R20-E24 HydrophobicContact CG-CG 4.44Å; R20-E24 IonicContact CZ-OE1 3.6Å; R20-E24 IonicContact NE-OE1 3.47Å; R20-E24 PolarHBondContact NE-OE1 3.5Å; R20-E24 IonicContact NE-OE2 2.78Å; R20-E24 IonicContact NH2-OE1 2.75Å; R20-E24 PolarHBondContact NH2-OE1 3.24Å; R20-E24 PolarHBondContact O-N 2.85Å; E24-E26 PolarHBondContact O-N 2.84Å; E24-Q27 PolarHBondContact O-N 2.86Å; E24-D28 PolarHBondContact O-N 3.27Å; E24-D28 VanDerWaalsContact O-N 3.13Å
25	A	35.6	Very low	35.3	Very low	74 Å²	74	105.7 Å²	105.7	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-65.7	-31.6	178	0	0	0	0	0	114.7	L21 F23	L21-A25 VanDerWaalsContact O-CB 3.26Å; L21-A25 WeakPolarHBondContact O-CB 3.31Å; L21-A25 PolarHBondContact O-N 2.86Å; F23-A25 PolarHBondContact O-N 3.48Å
26	E	38.7	Very low	35.1	Very low	106 Å²	106	107.9 Å²	107.9	50%	0.495	61%	0.606	S	S	.	*	H	α-helix	trans	-84.9	-23.2	174	-159.7	171.6	133.5	0	0	112.2	V22 F23 E24 S29 R30	V22-E26 PolarHBondContact O-N 2.92Å; F23-E26 PolarHBondContact O-N 2.92Å; E24-E26 PolarHBondContact O-N 2.84Å; E26-S29 PolarHBondContact O-N 3.44Å; E26-S29 PolarHBondContact O-OG 3.34Å; E26-R30 IonicContact OE1-CZ 2.75Å; E26-R30 IonicContact OE1-NH2 3.21Å; E26-R30 PolarHBondContact OE1-NH2 3.39Å
27	Q	32.9	Very low	34.8	Very low	103 Å²	103	107.6 Å²	107.6	48%	0.481	62%	0.618	S	S	.	*	H	α-helix	trans	-74.1	-38.3	178	-162.5	160.2	27.5	0	0	112.6	F23 E24 S29 R30 T31	F23-Q27 WeakPolarHBondContact O-CB 3.4Å; F23-Q27 PolarHBondContact O-N 3.45Å; E24-Q27 PolarHBondContact O-N 2.86Å; Q27-S29 PolarHBondContact O-N 3.33Å; Q27-R30 PolarHBondContact O-N 2.86Å; Q27-T31 PolarHBondContact O-N 3.29Å
28	D	31.3	Very low	34.3	Very low	128 Å²	128	107.9 Å²	107.9	68%	0.684	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-23.6	172	-86.7	-13.9	0	0	0	113.1	E24 R30	E24-D28 PolarHBondContact O-N 3.27Å; E24-D28 VanDerWaalsContact O-N 3.13Å; D28-R30 PolarHBondContact O-N 2.84Å
29	S	35.3	Very low	33.7	Very low	87 Å²	87	110.3 Å²	110.3	61%	0.608	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-9.7	174.2	80.7	0	0	0	0	114.1	E26 Q27	E26-S29 PolarHBondContact O-N 3.44Å; E26-S29 PolarHBondContact O-OG 3.34Å; Q27-S29 PolarHBondContact O-N 3.33Å
30	R	36.7	Very low	33.2	Very low	177 Å²	177	114.5 Å²	114.5	67%	0.668	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	-16	-171	-57.7	-179.7	-172.7	-168.2	3.5	114.4	E26 Q27 D28	E26-R30 IonicContact OE1-CZ 2.75Å; E26-R30 IonicContact OE1-NH2 3.21Å; E26-R30 PolarHBondContact OE1-NH2 3.39Å; Q27-R30 PolarHBondContact O-N 2.86Å; D28-R30 PolarHBondContact O-N 2.84Å
31	T	31.6	Very low	32.7	Very low	99 Å²	99	111 Å²	111	61%	0.607	68%	0.68	S	S	*	*	S	Bend	trans	-86.3	-13.4	-173.5	43.2	0	0	0	0	114.9	Q27 G33	Q27-T31 PolarHBondContact O-N 3.29Å; T31-G33 PolarHBondContact O-N 3.49Å
32	A	32.7	Very low	32.3	Very low	104 Å²	104	111.2 Å²	111.2	86%	0.86	69%	0.69	S	S	*	*	S	Bend	trans	-76.7	19.7	-173.9	0	0	0	0	0	115.8
33	G	33.3	Very low	31.5	Very low	61 Å²	61	114.8 Å²	114.8	63%	0.629	71%	0.706	S	S	*	*	S	Bend	trans	-148.8	26.3	-154.2	0	0	0	0	0	120.3	T31	T31-G33 PolarHBondContact O-N 3.49Å
34	N	29	Very low	30.9	Very low	161 Å²	161	113.6 Å²	113.6	86%	0.861	72%	0.715	S	S	*	*			trans	-167.6	129.1	155.5	-119.1	-14.3	0	0	0	114.9
35	S	26.9	Very low	31.2	Very low	122 Å²	122	115.7 Å²	115.7	85%	0.853	74%	0.735	S	S	*	*			trans	-175.5	106.7	160.1	-86.7	0	0	0	0	113.4
36	S	31.1	Very low	30.9	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	75%	0.748	S	S	*	*			trans	-174	140.7	143.6	39.7	0	0	0	0	111.3
37	N	31.3	Very low	30.3	Very low	176 Å²	176	123.1 Å²	123.1	94%	0.941	76%	0.757	S	S	*	*			trans	-108.1	160.4	-179.1	-69.7	-33.7	0	0	0	111.3
38	G	27.2	Very low	30.1	Very low	76 Å²	76	124.5 Å²	124.5	78%	0.784	77%	0.773	S	S	*	*			trans	171.3	135.1	165.4	0	0	0	0	0	113.5
39	S	28.8	Very low	30.4	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	78%	0.779	S	S	*	*			trans	-134.4	165.7	-164.7	-59.1	0	0	0	0	115.4
40	T	27.9	Very low	29.9	Very low	140 Å²	140	123.6 Å²	123.6	86%	0.859	79%	0.785	S	S	*	*			trans	72.3	116.2	151.9	42.4	0	0	0	0	121.9
41	A	26.4	Very low	29.4	Very low	88 Å²	88	121.1 Å²	121.1	73%	0.727	80%	0.795	S	S	*	*				138.9	115.7	108.3	0	0	0	0	0	118.2
42	S	26.9	Very low	29.1	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	81%	0.806	S	S	*	*			trans	62.9	113.3	134.7	-52.2	0	0	0	0	123.4
43	N	25.6	Very low	29.4	Very low	165 Å²	165	123.4 Å²	123.4	88%	0.882	81%	0.805	S	S	*	*				178.8	155.3	102.6	-90.2	-35.8	0	0	0	114.1
44	S	26.2	Very low	29.2	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	81%	0.811	S	S	*	*			trans	-117.4	171.3	177.8	-41.6	0	0	0	0	110.8
45	P	41	Very low	29.3	Very low	115 Å²	115	124.5 Å²	124.5	75%	0.747	80%	0.804	S	S	*	*				-159.9	168.9	82.8	41.9	-21.8	0	0	0	119.2
46	R	27.3	Very low	29.5	Very low	237 Å²	237	128.7 Å²	128.7	89%	0.894	80%	0.802	S	S	*	*			trans	65.7	150.3	157.2	-78.6	-172.4	168.5	-157.8	-4.7	118.9
47	S	26.5	Very low	29.4	Very low	98 Å²	98	133.4 Å²	133.4	69%	0.685	80%	0.801	S	S	*	*			cis	-153.2	162.2	-2.5	-103.6	0	0	0	0	111.2
48	T	28.5	Very low	29.1	Very low	133 Å²	133	136.5 Å²	136.5	82%	0.816	80%	0.799	S	S	*	*			trans	-104.5	177.1	171	63.9	0	0	0	0	111.1
49	P	37.5	Very low	29.1	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	80%	0.798	S	S	*	*				-154.4	160	78.2	40.6	-20.9	0	0	0	118.8
50	G	25.6	Very low	29.2	Very low	71 Å²	71	142.1 Å²	142.1	73%	0.732	81%	0.806	S	S	*	*			trans	86.4	151.4	149.2	0	0	0	0	0	118.6
51	S	25.5	Very low	29.1	Very low	126 Å²	126	139.1 Å²	139.1	88%	0.881	80%	0.803	S	S	*	*			cis	-159.4	152.4	-7.5	-80.5	0	0	0	0	111.9
52	S	27.1	Very low	29	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	81%	0.812	S	S	*	*			trans	-133.3	147.7	164.4	-51.3	0	0	0	0	110.3
53	P	37.8	Very low	29	Very low	130 Å²	130	138 Å²	138	84%	0.844	82%	0.816	S	S	*	*			trans	-103.5	148.8	164.1	35.8	-28.8	0	0	0	112.5
54	S	28.5	Very low	29	Very low	107 Å²	107	140 Å²	140	75%	0.748	82%	0.816	S	S	*	*			trans	-150	-156	167.6	62.4	0	0	0	0	108.3
55	L	32.3	Very low	29.1	Very low	138 Å²	138	139 Å²	139	72%	0.723	82%	0.815	S	S	*	*			trans	88.8	147.8	-175.7	-49.8	170.4	0	0	0	113.9
56	R	30.8	Very low	28.6	Very low	210 Å²	210	138 Å²	138	79%	0.792	81%	0.811	S	S	*	*			cis	-156.7	130.9	2.9	-133.4	163.2	-173.1	166.1	1.1	115.2
57	R	27.9	Very low	28.7	Very low	222 Å²	222	135.5 Å²	135.5	84%	0.838	81%	0.81	S	S	*	*			trans	14.8	136.1	135.1	-178.8	-166.7	-70.8	-160.4	-3.7	119.9
58	R	26.4	Very low	28.7	Very low	240 Å²	240	134.6 Å²	134.6	91%	0.906	82%	0.816	S	S	*	*			trans	-145.5	151.4	133.2	-156.6	167	-76	-175.7	-2.9	112.3
59	V	27.6	Very low	28.6	Very low	125 Å²	125	137.6 Å²	137.6	76%	0.758	82%	0.82	S	S	*	*			trans	-147.5	146.1	178.7	166.6	0	0	0	0	107.7
60	L	29.3	Very low	28.2	Very low	180 Å²	180	136.7 Å²	136.7	94%	0.942	82%	0.824	S	S	*	*			trans	146.4	140.1	166.7	-84.8	160.4	0	0	0	108.4
61	G	25.7	Very low	28.2	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	83%	0.829	S	S	*	*			cis	165.8	137.8	-12.8	0	0	0	0	0	113.7
62	G	25.1	Very low	28.3	Very low	90 Å²	90	135.2 Å²	135.2	93%	0.928	83%	0.828	S	S	*	*			trans	80.9	156.6	168.7	0	0	0	0	0	118
63	G	26.1	Very low	28.3	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	83%	0.831	S	S	*	*			cis	155.9	124.8	-14.8	0	0	0	0	0	116.4
64	K	25.7	Very low	27.8	Very low	207 Å²	207	131.3 Å²	131.3	90%	0.9	83%	0.831	S	S	*	*			trans	171.6	147.1	161.5	-101.6	177	178.7	-172.8	0	108.7
65	A	29.2	Very low	27.9	Very low	93 Å²	93	130.4 Å²	130.4	77%	0.769	83%	0.83	S	S	*	*			cis	81.4	133.8	22.8	0	0	0	0	0	115
66	S	30.7	Very low	27.7	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	83%	0.833	S	S	*	*			cis	-164.1	168.4	4.6	-153.6	0	0	0	0	113.4
67	E	28.2	Very low	27.7	Very low	186 Å²	186	126.1 Å²	126.1	87%	0.869	83%	0.832	S	S	*	*			trans	55.2	153.9	152.2	-74.3	148	116.3	0	0	124.2
68	G	26.8	Very low	28.6	Very low	79 Å²	79	120.8 Å²	120.8	81%	0.814	83%	0.826	S	S	*	*			trans	162.9	121.9	170.9	0	0	0	0	0	116.2
69	E	28.1	Very low	28.8	Very low	195 Å²	195	117.3 Å²	117.3	91%	0.911	82%	0.824	S	S	*	*			trans	-78.5	151.2	-156.5	-63.9	167.5	87.1	0	0	121.6
70	A	27.1	Very low	29.5	Very low	106 Å²	106	116.3 Å²	116.3	88%	0.876	82%	0.821	S	S	*	*			trans	14.6	152.1	139.1	0	0	0	0	0	125.6
71	G	26.9	Very low	29.3	Very low	82 Å²	82	112.8 Å²	112.8	85%	0.845	81%	0.811	S	S	*	*			trans	166.7	80	153.4	0	0	0	0	0	122.6
72	G	26.5	Very low	29.3	Very low	84 Å²	84	115.8 Å²	115.8	87%	0.866	81%	0.814	S	S	*	*			trans	80.6	122.1	133.5	0	0	0	0	0	125.6
73	G	26.9	Very low	29.8	Very low	87 Å²	87	116.7 Å²	116.7	90%	0.897	80%	0.803	S	S	*	*			trans	80.4	146.9	151.6	0	0	0	0	0	118.7
74	G	28.9	Very low	29.7	Very low	81 Å²	81	118.8 Å²	118.8	84%	0.835	81%	0.806	S	S	*	*			cis	104.2	131.5	-1.4	0	0	0	0	0	114.4
75	A	30.4	Very low	29.7	Very low	88 Å²	88	113.9 Å²	113.9	73%	0.727	80%	0.804	S	S	*	*			cis	-163.1	177.1	-7.3	0	0	0	0	0	111.7
76	D	28.6	Very low	29.6	Very low	147 Å²	147	114.3 Å²	114.3	79%	0.786	80%	0.801	S	S	*	*			trans	64.3	108.6	157.7	-59.5	-36.4	0	0	0	124.6
77	S	30.3	Very low	29.4	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	81%	0.805	S	S	*	*				38.6	159.6	107.7	-58.5	0	0	0	0	123.4
78	P	47.3	Very low	29.3	Very low	111 Å²	111	113.5 Å²	113.5	72%	0.721	80%	0.803	S	S	*	*			cis	-141.2	164.6	-25.3	38.7	-20.5	0	0	0	117.1
79	L	28.6	Very low	29.6	Very low	166 Å²	166	115 Å²	115	87%	0.869	80%	0.801	S	S	*	*			trans	35.8	161.8	141.4	-66	177.2	0	0	0	124.2
80	P	43.3	Very low	29.5	Very low	105 Å²	105	111.1 Å²	111.1	68%	0.682	80%	0.796	S	S	*	*			cis	-136.2	-177.8	-13.9	34.4	-13.1	0	0	0	116.5
81	S	24.1	Very low	29.4	Very low	106 Å²	106	109.2 Å²	109.2	74%	0.741	78%	0.779	S	S	*	*			trans	101.8	105.5	151.9	-48.3	0	0	0	0	121.4
82	V	27.3	Very low	29.5	Very low	138 Å²	138	115.6 Å²	115.6	84%	0.836	78%	0.78	S	S	*	*			trans	-10.1	162.5	147.2	-85.1	0	0	0	0	121.8
83	P	34.8	Very low	30	Very low	110 Å²	110	117.4 Å²	117.4	71%	0.714	78%	0.776	S	S	*	*			cis	-136	-178.5	3.9	40	-21.9	0	0	0	117.4
84	S	23.5	Very low	30.3	Very low	121 Å²	121	120.6 Å²	120.6	85%	0.846	77%	0.772	S	S	*	*			trans	75.6	104.5	148.8	-64.3	0	0	0	0	121.5
85	A	26.2	Very low	30.1	Very low	103 Å²	103	121.9 Å²	121.9	85%	0.851	77%	0.774	S	S	*	*			trans	-141.2	120.7	141.8	0	0	0	0	0	110.6
86	S	26.8	Very low	30.4	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	78%	0.775	S	S	*	*			trans	-67	142.6	168.4	42.4	0	0	0	0	110.8
87	S	27.1	Very low	30.6	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	78%	0.777	S	S	*	*			cis	75.3	163.2	47.3	92.4	0	0	0	0	114.5
88	L	26.8	Very low	30.7	Very low	157 Å²	157	129 Å²	129	82%	0.822	78%	0.778	S	S	*	*			trans	83	121.5	-155.2	-54.3	167.9	0	0	0	112.2
89	S	31.6	Very low	30	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	79%	0.785	S	S	*	*			cis	67.4	99.4	4.9	-166.5	0	0	0	0	117.5
90	S	26.3	Very low	30.5	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	77%	0.772	S	S	*	*			trans	176.1	157.2	159.9	-84.5	0	0	0	0	110.4
91	A	25.3	Very low	30.1	Very low	65 Å²	65	134.7 Å²	134.7	54%	0.537	78%	0.779	S	S	.	*			cis	-177.2	120.2	-20.4	0	0	0	0	0	112
92	Y	29	Very low	30.6	Very low	217 Å²	217	135.8 Å²	135.8	85%	0.851	78%	0.776	S	S	*	*			trans	65	171.4	144.5	-54.7	-44.1	0	0	0	118.1
93	P	37.3	Very low	31.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	76%	0.76	S	S	*	*			cis	-130.6	-178.9	9.7	43.9	-27.2	0	0	0	117.7
94	L	32.4	Very low	31.1	Very low	154 Å²	154	134.9 Å²	134.9	81%	0.806	76%	0.761	S	S	*	*			trans	-68.4	151.1	174.8	-67.1	69.3	0	0	0	112.5
95	A	26.3	Very low	31.7	Very low	108 Å²	108	137.5 Å²	137.5	89%	0.893	76%	0.757	S	S	*	*			trans	-142.3	60.6	158.1	0	0	0	0	0	112.4
96	S	35.8	Very low	32	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	75%	0.745	S	S	*	*			trans	-85.4	108.3	167.8	179.8	0	0	0	0	110.7
97	R	32.4	Very low	32.3	Very low	218 Å²	218	138.7 Å²	138.7	82%	0.823	74%	0.735	S	S	*	*			trans	174.1	105.5	156.2	-108.5	171.4	-82.7	-168.8	-7.6	112.8
98	H	32.6	Very low	32.6	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.787	73%	0.727	S	S	*	*	S	Bend		173.6	84.4	119.3	-111.1	-99.5	0	0	0	113.9
99	F	31.7	Very low	33.1	Very low	199 Å²	199	139.4 Å²	139.4	87%	0.873	72%	0.723	S	S	*	*			trans	-147.3	26.3	153.2	-141.2	-97.3	0	0	0	113.9	R101	F99-R101 PolarHBondContact O-N 2.82Å
100	S	40.3	Very low	33	Very low	87 Å²	87	140.8 Å²	140.8	61%	0.608	71%	0.713	S	S	*	*			trans	-95.8	15.6	-168	-43.4	0	0	0	0	114.8
101	R	35.5	Very low	33.4	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	69%	0.692	S	S	*	*	S	Bend	trans	-90.8	-34.6	-170.1	-162.3	157.9	75.4	172.5	1.9	114.7	F99	F99-R101 PolarHBondContact O-N 2.82Å
102	N	34.4	Very low	34.2	Very low	128 Å²	128	140.8 Å²	140.8	68%	0.684	70%	0.698	S	S	*	*	S	Bend	trans	-97.4	-29.3	-176.9	-74.7	1.4	0	0	0	114.9	K104 K105	N102-K104 PolarHBondContact O-N 2.85Å; N102-K104 VanDerWaalsContact O-N 3.13Å; N102-K105 PolarHBondContact O-N 3.32Å; N102-K105 VanDerWaalsContact O-N 3.1Å
103	A	37.3	Very low	34.9	Very low	60 Å²	60	137.5 Å²	137.5	50%	0.496	70%	0.695	S	S	.	*	H	α-helix	trans	-53.2	-38.7	-179.1	0	0	0	0	0	113.3	K105 M106 Q107	A103-K105 PolarHBondContact O-N 3.49Å; A103-K105 VanDerWaalsContact O-N 3.09Å; A103-M106 PolarHBondContact O-N 2.8Å; A103-Q107 PolarHBondContact O-N 2.89Å
104	K	34.7	Very low	35.3	Very low	170 Å²	170	135.2 Å²	135.2	74%	0.739	68%	0.682	S	S	*	*	H	α-helix	trans	-59.9	-22.5	-178.4	-64.8	-171.7	178.3	-173.4	0	114.4	N102	N102-K104 PolarHBondContact O-N 2.85Å; N102-K104 VanDerWaalsContact O-N 3.13Å
105	K	35	Very low	36.9	Very low	176 Å²	176	129.5 Å²	129.5	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-85.6	-31	179.6	-151.1	174.8	-175.3	-177.4	0	112.8	N102 A103	N102-K105 PolarHBondContact O-N 3.32Å; N102-K105 VanDerWaalsContact O-N 3.1Å; A103-K105 PolarHBondContact O-N 3.49Å; A103-K105 VanDerWaalsContact O-N 3.09Å
106	M	32.3	Very low	39.4	Very low	122 Å²	122	126.6 Å²	126.6	60%	0.601	63%	0.625	S	S	*	*	H	α-helix	trans	-84.2	-32.5	175	-64.7	-163	82.5	0	0	113.1	A103 S108 W109 Y110	A103-M106 PolarHBondContact O-N 2.8Å; M106-S108 PolarHBondContact O-N 3.46Å; M106-S108 VanDerWaalsContact O-N 3.12Å; M106-W109 PolarHBondContact O-N 2.82Å; M106-Y110 HydrophobicContact CE-CE2 4.11Å; M106-Y110 PolarHBondContact O-N 2.79Å
107	Q	34.6	Very low	41.8	Very low	109 Å²	109	121.7 Å²	121.7	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-53.5	-35.6	175.9	-155.7	76.1	45.9	0	0	112.4	A103 W109 N111	A103-Q107 PolarHBondContact O-N 2.89Å; Q107-W109 PolarHBondContact O-N 3.38Å; Q107-N111 PolarHBondContact NE2-OD1 2.82Å; Q107-N111 VanDerWaalsContact O-CG 3.3Å; Q107-N111 PolarHBondContact O-N 3.23Å; Q107-N111 PolarHBondContact O-OD1 2.81Å
108	S	33	Very low	44.2	Very low	80 Å²	80	113.7 Å²	113.7	56%	0.559	56%	0.561	S	S	*	*	H	α-helix	trans	-66.8	-12.9	179.1	-170.6	0	0	0	0	114.8	M106 V112	M106-S108 PolarHBondContact O-N 3.46Å; M106-S108 VanDerWaalsContact O-N 3.12Å; S108-V112 WeakPolarHBondContact O-CG2 3.29Å
109	W	36.7	Very low	46.7	Very low	195 Å²	195	108.6 Å²	108.6	74%	0.739	54%	0.538	S	S	*	.	H	α-helix	trans	-109.1	-36.8	178.3	-70.2	67.9	0	0	0	111.7	M106 Q107 N111 V112	M106-W109 PolarHBondContact O-N 2.82Å; Q107-W109 PolarHBondContact O-N 3.38Å; W109-N111 PolarHBondContact O-N 3.3Å; W109-V112 WeakPolarHBondContact O-CB 3.42Å; W109-V112 PolarHBondContact O-N 3.35Å; W109-V112 VanDerWaalsContact O-N 3.15Å
110	Y	30.7	Very low	49.2	Very low	142 Å²	142	101.1 Å²	101.1	56%	0.557	50%	0.504	S	S	*	.	H	α-helix	trans	-64	-40.2	175.9	-85.8	-81.7	0	0	0	113	M106 V112 L113 S114	M106-Y110 HydrophobicContact CE-CE2 4.11Å; M106-Y110 PolarHBondContact O-N 2.79Å; Y110-V112 PolarHBondContact O-N 2.81Å; Y110-L113 PolarHBondContact O-N 3.33Å; Y110-L113 VanDerWaalsContact O-N 3.07Å; Y110-S114 PolarHBondContact O-N 2.84Å
111	N	35.1	Very low	51.5	Low	67 Å²	67	97.7 Å²	97.7	36%	0.358	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-11	175.6	-68.3	5	0	0	0	113.7	Q107 W109	Q107-N111 PolarHBondContact NE2-OD1 2.82Å; Q107-N111 VanDerWaalsContact O-CG 3.3Å; Q107-N111 PolarHBondContact O-N 3.23Å; Q107-N111 PolarHBondContact O-OD1 2.81Å; W109-N111 PolarHBondContact O-N 3.3Å
112	V	40.1	Very low	54	Low	110 Å²	110	91.5 Å²	91.5	67%	0.667	46%	0.459	S	S	*	.	H	α-helix	trans	-90.7	-23.9	177.8	-175.3	0	0	0	0	112	S108 W109 Y110	S108-V112 WeakPolarHBondContact O-CG2 3.29Å; W109-V112 WeakPolarHBondContact O-CB 3.42Å; W109-V112 PolarHBondContact O-N 3.35Å; W109-V112 VanDerWaalsContact O-N 3.15Å; Y110-V112 PolarHBondContact O-N 2.81Å
113	L	45.2	Very low	56.5	Low	149 Å²	149	87.8 Å²	87.8	78%	0.78	44%	0.439	S	S	*	.	H	α-helix	trans	-102.5	-29.6	-172.7	-63	177	0	0	0	113.5	Y110	Y110-L113 PolarHBondContact O-N 3.33Å; Y110-L113 VanDerWaalsContact O-N 3.07Å
114	S	45.6	Very low	59	Low	73 Å²	73	85 Å²	85	51%	0.51	42%	0.416	S	S	.	.	S	Bend	trans	-142	96.9	175.2	54.4	0	0	0	0	111	Y110 T116	Y110-S114 PolarHBondContact O-N 2.84Å; S114-T116 PolarHBondContact O-N 3.44Å
115	P	65.8	Low	61.6	Low	34 Å²	34	81.7 Å²	81.7	22%	0.221	40%	0.399	C	S	.	.			trans	-57.6	128.3	173.6	-25.6	34.2	0	0	0	111.4	Q119 R120	P115-Q119 HydrophobicContact CB-CB 4.31Å; P115-Q119 HydrophobicContact CB-CG 4.15Å; P115-R120 HydrophobicContact CB-CG 4.31Å
116	T	79.2	Confident	64.1	Low	47 Å²	47	78.2 Å²	78.2	29%	0.288	38%	0.384	S	S	.	.			trans	-64.3	163.2	178.2	60.9	0	0	0	0	111.4	S114 K118 Q119 R120	S114-T116 PolarHBondContact O-N 3.44Å; T116-K118 VanDerWaalsContact C-N 3.29Å; T116-K118 PolarHBondContact O-N 3.49Å; T116-Q119 PolarHBondContact O-N 2.78Å; T116-Q119 VanDerWaalsContact O-N 3.11Å; T116-Q119 PolarHBondContact OG1-N 3.29Å; T116-R120 VanDerWaalsContact O-CG 3.32Å; T116-R120 WeakPolarHBondContact O-CG 3.17Å; T116-R120 PolarHBondContact O-N 3.24Å
117	Y	85.5	Confident	66.8	Low	3 Å²	3	74.9 Å²	74.9	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-57.3	-41.2	177	171.5	-97.8	0	0	0	112.5	Q119 R120 N121 R136 L137 W241 V244 Y248 L252 L254	Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.09Å; Y117-R120 WeakPolarHBondContact O-CB 3.25Å; Y117-R120 PolarHBondContact O-N 3.01Å; Y117-N121 HydrophobicContact CE1-CB 4.43Å; Y117-N121 WeakPolarHBondContact O-CB 3.45Å; Y117-N121 PolarHBondContact O-N 3.43Å; Y117-R136 WeakPolarHBondContact OH-CG 3.34Å; Y117-L137 HydrophobicContact CE2-CB 4.39Å; Y117-L137 VanDerWaalsContact CE2-O 3.22Å; Y117-L137 WeakPolarHBondContact CE2-O 3.34Å; Y117-L137 PolarHBondContact OH-O 2.76Å; Y117-W241 HydrophobicContact CD1-CZ3 4.25Å; Y117-W241 AromaticContact CE1-CH2 3.92Å; Y117-W241 HydrophobicContact CE1-CH2 3.92Å; Y117-W241 AromaticContact CE1-CZ3 3.58Å; Y117-W241 HydrophobicContact CE1-CZ3 3.58Å; Y117-V244 HydrophobicContact CD1-CG1 4.07Å; Y117-V244 HydrophobicContact CD2-CG1 3.64Å; Y117-V244 HydrophobicContact CE1-CG1 4.06Å; Y117-V244 HydrophobicContact CE2-CB 4.45Å; Y117-V244 HydrophobicContact CE2-CG1 3.6Å; Y117-V244 HydrophobicContact CE2-CG2 3.91Å; Y117-V244 HydrophobicContact CG-CG1 3.86Å; Y117-Y248 AromaticContact CD2-CD2 3.56Å; Y117-Y248 HydrophobicContact CD2-CD2 3.56Å; Y117-Y248 AromaticContact CD2-CE2 3.53Å; Y117-Y248 HydrophobicContact CD2-CE2 3.53Å; Y117-Y248 HydrophobicContact CD2-CG 4.1Å; Y117-Y248 HydrophobicContact CE2-CD2 4.26Å; Y117-Y248 AromaticContact CE2-CE2 3.93Å; Y117-Y248 HydrophobicContact CE2-CE2 3.93Å; Y117-Y248 HydrophobicContact CG-CD2 4.38Å; Y117-L252 WeakPolarHBondContact CB-O 3.45Å; Y117-L252 HydrophobicContact CD1-CB 4.23Å; Y117-L252 HydrophobicContact CG-CB 4.48Å; Y117-L252 HydrophobicContact CG-CD2 4.12Å; Y117-L252 PolarHBondContact N-O 3.2Å; Y117-L254 HydrophobicContact CD1-CD1 4.37Å; Y117-L254 HydrophobicContact CD1-CD2 4.3Å; Y117-L254 HydrophobicContact CD1-CG 4.48Å; Y117-L254 HydrophobicContact CE1-CD2 4.48Å
118	K	83.9	Confident	69.4	Low	50 Å²	50	70.2 Å²	70.2	22%	0.217	35%	0.346	C	S	.	.	H	α-helix	trans	-56.1	-47.4	174.3	-166.8	162.5	-171.9	151.3	0	111.5	T116 N121 E122 L252 G253 L254 T255 D258	T116-K118 VanDerWaalsContact C-N 3.29Å; T116-K118 PolarHBondContact O-N 3.49Å; K118-N121 PolarHBondContact O-N 3.47Å; K118-E122 WeakPolarHBondContact O-CB 3.27Å; K118-E122 PolarHBondContact O-N 3.48Å; K118-L252 PolarHBondContact N-O 2.91Å; K118-G253 WeakPolarHBondContact CD-O 3.29Å; K118-L254 HydrophobicContact CB-CD2 4.21Å; K118-L254 HydrophobicContact CD-CD2 4.24Å; K118-L254 HydrophobicContact CG-CD2 4.31Å; K118-T255 PolarHBondContact NZ-OG1 2.92Å; K118-D258 IonicContact NZ-OD1 2.67Å; K118-D258 PolarHBondContact NZ-OD1 2.91Å; K118-D258 IonicContact NZ-OD2 2.9Å; K118-D258 PolarHBondContact NZ-OD2 3.3Å
119	Q	83.5	Confident	71.7	Confident	62 Å²	62	74.8 Å²	74.8	29%	0.29	36%	0.356	S	S	.	.	H	α-helix	trans	-64.6	-41.4	175.8	-171	179	-1	0	0	112.6	P115 T116 Y117 N121 E122 D123	P115-Q119 HydrophobicContact CB-CB 4.31Å; P115-Q119 HydrophobicContact CB-CG 4.15Å; T116-Q119 PolarHBondContact O-N 2.78Å; T116-Q119 VanDerWaalsContact O-N 3.11Å; T116-Q119 PolarHBondContact OG1-N 3.29Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.09Å; Q119-N121 PolarHBondContact O-N 2.97Å; Q119-E122 PolarHBondContact O-N 3.4Å; Q119-D123 WeakPolarHBondContact O-CB 3.41Å; Q119-D123 PolarHBondContact O-N 3.14Å
120	R	85.6	Confident	73.7	Confident	42 Å²	42	75.3 Å²	75.3	16%	0.158	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-45.4	175.9	-70.3	-75.3	-178.1	-165.1	0.6	112.4	P115 T116 Y117 D123 F124 L137 D140 Y248	P115-R120 HydrophobicContact CB-CG 4.31Å; T116-R120 VanDerWaalsContact O-CG 3.32Å; T116-R120 WeakPolarHBondContact O-CG 3.17Å; T116-R120 PolarHBondContact O-N 3.24Å; Y117-R120 WeakPolarHBondContact O-CB 3.25Å; Y117-R120 PolarHBondContact O-N 3.01Å; R120-D123 PolarHBondContact O-N 3.2Å; R120-F124 WeakPolarHBondContact O-CB 3.28Å; R120-F124 PolarHBondContact O-N 2.93Å; R120-L137 HydrophobicContact CB-CD2 3.71Å; R120-D140 IonicContact NE-OD1 3.8Å; R120-Y248 HydrophobicContact CG-CE1 4.22Å
121	N	88.6	Confident	76.3	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-71	-38.1	-180	-178.1	67.5	0	0	0	111.8	Y117 K118 Q119 R125 L137	Y117-N121 HydrophobicContact CE1-CB 4.43Å; Y117-N121 WeakPolarHBondContact O-CB 3.45Å; Y117-N121 PolarHBondContact O-N 3.43Å; K118-N121 PolarHBondContact O-N 3.47Å; Q119-N121 PolarHBondContact O-N 2.97Å; N121-R125 WeakPolarHBondContact O-CG 3.49Å; N121-R125 PolarHBondContact O-N 3.07Å; N121-R125 VanDerWaalsContact O-N 3.07Å; N121-L137 HydrophobicContact CB-CB 4.12Å; N121-L137 WeakPolarHBondContact OD1-CB 3.24Å; N121-L137 PolarHBondContact OD1-N 2.81Å
122	E	86.7	Confident	78.7	Confident	88 Å²	88	69.4 Å²	69.4	41%	0.411	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-49.9	168.4	-88.3	-172.3	-138.3	0	0	112.2	K118 Q119 F124 R125 K126	K118-E122 WeakPolarHBondContact O-CB 3.27Å; K118-E122 PolarHBondContact O-N 3.48Å; Q119-E122 PolarHBondContact O-N 3.4Å; E122-F124 VanDerWaalsContact C-N 3.35Å; E122-F124 PolarHBondContact O-N 3.08Å; E122-R125 CarbonylContact O-C 3.48Å; E122-R125 PolarHBondContact O-N 2.85Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-K126 VanDerWaalsContact O-CG 3.26Å; E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.19Å; E122-K126 WeakPolarHBondContact OE2-CE 3.39Å; E122-K126 IonicContact OE2-NZ 3.51Å; E122-K126 PolarHBondContact OE2-NZ 2.9Å
123	D	87.8	Confident	80.5	Confident	50 Å²	50	71.1 Å²	71.1	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-68.2	-36.6	-176.3	-67.8	-13.8	0	0	0	111.4	Q119 R120 R125 K126 I127	Q119-D123 WeakPolarHBondContact O-CB 3.41Å; Q119-D123 PolarHBondContact O-N 3.14Å; R120-D123 PolarHBondContact O-N 3.2Å; D123-R125 PolarHBondContact O-N 3.01Å; D123-K126 PolarHBondContact O-N 2.92Å; D123-K126 IonicContact OD1-NZ 3.91Å; D123-K126 PolarHBondContact OD1-NZ 3.25Å; D123-I127 WeakPolarHBondContact O-CB 3.34Å; D123-I127 WeakPolarHBondContact O-CD1 3.49Å; D123-I127 WeakPolarHBondContact O-CG1 3.33Å; D123-I127 PolarHBondContact O-N 3.28Å
124	F	90.4	Very high	82.2	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.009	35%	0.346	C	S	.	.	H	α-helix	trans	-53.8	-50.2	166.7	169.7	-109.5	0	0	0	111.7	R120 E122 K126 I127 F128 L131 L137 Y156 C163	R120-F124 WeakPolarHBondContact O-CB 3.28Å; R120-F124 PolarHBondContact O-N 2.93Å; E122-F124 VanDerWaalsContact C-N 3.35Å; E122-F124 PolarHBondContact O-N 3.08Å; F124-K126 PolarHBondContact O-N 3.01Å; F124-I127 PolarHBondContact O-N 2.99Å; F124-F128 AromaticContact CD2-CD2 3.53Å; F124-F128 HydrophobicContact CD2-CD2 3.53Å; F124-F128 HydrophobicContact CD2-CE2 4.01Å; F124-F128 AromaticContact CE2-CD2 3.81Å; F124-F128 HydrophobicContact CE2-CD2 3.81Å; F124-F128 HydrophobicContact CE2-CE2 4.36Å; F124-F128 HydrophobicContact CE2-CG 4.48Å; F124-F128 HydrophobicContact CG-CD2 4.44Å; F124-F128 WeakPolarHBondContact O-CD2 3.43Å; F124-F128 PolarHBondContact O-N 3.12Å; F124-L131 HydrophobicContact CE1-CD1 4.1Å; F124-L131 HydrophobicContact CE2-CD1 3.88Å; F124-L131 HydrophobicContact CZ-CD1 3.39Å; F124-L137 HydrophobicContact CB-CD2 4.32Å; F124-L137 HydrophobicContact CD1-CB 4.01Å; F124-L137 HydrophobicContact CD2-CD1 4.34Å; F124-L137 HydrophobicContact CE1-CB 4.5Å; F124-L137 HydrophobicContact CG-CB 4.3Å; F124-L137 HydrophobicContact CG-CD1 4.33Å; F124-Y156 HydrophobicContact CB-CD1 4.02Å; F124-Y156 HydrophobicContact CB-CE1 4.31Å; F124-Y156 AromaticContact CD2-CD1 3.8Å; F124-Y156 HydrophobicContact CD2-CD1 3.8Å; F124-Y156 AromaticContact CD2-CG 3.81Å; F124-Y156 HydrophobicContact CD2-CG 3.81Å; F124-Y156 HydrophobicContact CE2-CG 4.44Å; F124-Y156 HydrophobicContact CG-CD1 4.31Å; F124-C163 HydrophobicContact CE2-CB 4.31Å
125	R	87.8	Confident	84.2	Confident	100 Å²	100	65.9 Å²	65.9	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-35	177.1	-72.3	176	170.7	-154.7	-11.1	113.2	N121 E122 D123 D133 E135	N121-R125 WeakPolarHBondContact O-CG 3.49Å; N121-R125 PolarHBondContact O-N 3.07Å; N121-R125 VanDerWaalsContact O-N 3.07Å; E122-R125 CarbonylContact O-C 3.48Å; E122-R125 PolarHBondContact O-N 2.85Å; E122-R125 VanDerWaalsContact O-N 3.14Å; D123-R125 PolarHBondContact O-N 3.01Å; R125-D133 PolarHBondContact NH2-O 2.92Å; R125-E135 PolarHBondContact NE-O 3.26Å; R125-E135 PolarHBondContact NH2-O 3.25Å
126	K	87.7	Confident	85.2	Confident	103 Å²	103	66 Å²	66	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-35.6	175.5	-69.1	164.6	-156.6	157.2	0	112.5	E122 D123 F124 K129	E122-K126 VanDerWaalsContact O-CG 3.26Å; E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.19Å; E122-K126 WeakPolarHBondContact OE2-CE 3.39Å; E122-K126 IonicContact OE2-NZ 3.51Å; E122-K126 PolarHBondContact OE2-NZ 2.9Å; D123-K126 PolarHBondContact O-N 2.92Å; D123-K126 IonicContact OD1-NZ 3.91Å; D123-K126 PolarHBondContact OD1-NZ 3.25Å; F124-K126 PolarHBondContact O-N 3.01Å; K126-K129 WeakPolarHBondContact O-CE 3.38Å; K126-K129 WeakPolarHBondContact O-CG 3.47Å
127	I	88.8	Confident	85.8	Confident	52 Å²	52	63.8 Å²	63.8	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-78.1	-51.1	178	-66.6	162.7	0	0	0	110.5	D123 F124 K129 Y165 T174	D123-I127 WeakPolarHBondContact O-CB 3.34Å; D123-I127 WeakPolarHBondContact O-CD1 3.49Å; D123-I127 WeakPolarHBondContact O-CG1 3.33Å; D123-I127 PolarHBondContact O-N 3.28Å; F124-I127 PolarHBondContact O-N 2.99Å; I127-K129 PolarHBondContact O-N 2.71Å; I127-Y165 HydrophobicContact CD1-CD1 3.95Å; I127-Y165 HydrophobicContact CD1-CE1 4.16Å; I127-Y165 HydrophobicContact CD1-CG 4.15Å; I127-Y165 HydrophobicContact CG2-CD2 3.56Å; I127-Y165 HydrophobicContact CG2-CE2 4.15Å; I127-Y165 HydrophobicContact CG2-CG 3.86Å; I127-T174 HydrophobicContact CG2-CG2 4.16Å
128	F	89.4	Confident	86.1	Confident	10 Å²	10	63.7 Å²	63.7	4%	0.044	31%	0.306	C	S	.	.			trans	-100.5	51.3	-170.3	-59.7	-75.6	0	0	0	113.3	F124 K130 L131 Y156 C163 T174	F124-F128 AromaticContact CD2-CD2 3.53Å; F124-F128 HydrophobicContact CD2-CD2 3.53Å; F124-F128 HydrophobicContact CD2-CE2 4.01Å; F124-F128 AromaticContact CE2-CD2 3.81Å; F124-F128 HydrophobicContact CE2-CD2 3.81Å; F124-F128 HydrophobicContact CE2-CE2 4.36Å; F124-F128 HydrophobicContact CE2-CG 4.48Å; F124-F128 HydrophobicContact CG-CD2 4.44Å; F124-F128 WeakPolarHBondContact O-CD2 3.43Å; F124-F128 PolarHBondContact O-N 3.12Å; F128-K130 PolarHBondContact O-N 2.96Å; F128-L131 HydrophobicContact CB-CD1 3.64Å; F128-L131 HydrophobicContact CB-CG 3.98Å; F128-L131 HydrophobicContact CG-CD1 4.41Å; F128-L131 PolarHBondContact O-N 3.45Å; F128-Y156 AromaticContact CE2-CD2 3.74Å; F128-Y156 HydrophobicContact CE2-CD2 3.74Å; F128-Y156 HydrophobicContact CE2-CE2 4.15Å; F128-Y156 HydrophobicContact CE2-CG 4.19Å; F128-Y156 HydrophobicContact CZ-CD2 4.26Å; F128-C163 HydrophobicContact CD1-CB 3.97Å; F128-C163 HydrophobicContact CD2-CB 4.17Å; F128-C163 HydrophobicContact CE1-CB 3.68Å; F128-C163 HydrophobicContact CE2-CB 3.89Å; F128-C163 HydrophobicContact CG-CB 4.21Å; F128-C163 HydrophobicContact CZ-CB 3.63Å; F128-T174 HydrophobicContact CD1-CG2 4.44Å; F128-T174 HydrophobicContact CE1-CG2 3.88Å
129	K	81.1	Confident	86.4	Confident	177 Å²	177	61.5 Å²	61.5	77%	0.77	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	6.5	-179.9	-52.9	-175.9	-175.4	-179.2	0	116.5	K126 I127	K126-K129 WeakPolarHBondContact O-CE 3.38Å; K126-K129 WeakPolarHBondContact O-CG 3.47Å; I127-K129 PolarHBondContact O-N 2.71Å
130	K	78.8	Confident	86.9	Confident	205 Å²	205	59.5 Å²	59.5	89%	0.891	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-8.9	175.8	-64.3	-176.6	179.4	179.7	0	112.8	F128	F128-K130 PolarHBondContact O-N 2.96Å
131	L	85.9	Confident	87.2	Confident	24 Å²	24	59 Å²	59	13%	0.126	29%	0.287	C	S	.	.	S	Bend	trans	-79	153.3	176.5	-63.4	177.6	0	0	0	110.9	F124 F128 W161 T176	F124-L131 HydrophobicContact CE1-CD1 4.1Å; F124-L131 HydrophobicContact CE2-CD1 3.88Å; F124-L131 HydrophobicContact CZ-CD1 3.39Å; F128-L131 HydrophobicContact CB-CD1 3.64Å; F128-L131 HydrophobicContact CB-CG 3.98Å; F128-L131 HydrophobicContact CG-CD1 4.41Å; F128-L131 PolarHBondContact O-N 3.45Å; L131-W161 HydrophobicContact CD2-CB 4.04Å; L131-W161 HydrophobicContact CD2-CD2 3.54Å; L131-W161 HydrophobicContact CD2-CE3 3.98Å; L131-W161 HydrophobicContact CD2-CG 3.56Å; L131-T176 HydrophobicContact CD2-CG2 3.8Å
132	P	86.3	Confident	87.4	Confident	61 Å²	61	61.4 Å²	61.4	40%	0.396	31%	0.305	S	S	.	.			trans	-60.4	143.5	170.2	-21.9	33.3	0	0	0	112.4	S134 E135	P132-S134 PolarHBondContact O-N 3.38Å; P132-S134 VanDerWaalsContact O-N 3.09Å; P132-E135 HydrophobicContact CB-CG 4.39Å; P132-E135 HydrophobicContact CG-CG 4.42Å; P132-E135 WeakPolarHBondContact O-CB 3.37Å; P132-E135 PolarHBondContact O-N 2.84Å
133	D	76.7	Confident	87.7	Confident	146 Å²	146	57.5 Å²	57.5	78%	0.781	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.7	178.2	-67.2	-59.4	0	0	0	114.1	R125 E135	R125-D133 PolarHBondContact NH2-O 2.92Å; D133-E135 VanDerWaalsContact C-N 3.29Å
134	S	81.3	Confident	87.8	Confident	101 Å²	101	55.4 Å²	55.4	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21	171.3	56.6	0	0	0	0	113.4	P132	P132-S134 PolarHBondContact O-N 3.38Å; P132-S134 VanDerWaalsContact O-N 3.09Å
135	E	86.9	Confident	87.9	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.056	28%	0.276	C	S	.	.			trans	-73.7	133	179.3	-63.5	-66.4	148.2	0	0	111	R125 P132 D133 S158 E159 N160 W161	R125-E135 PolarHBondContact NE-O 3.26Å; R125-E135 PolarHBondContact NH2-O 3.25Å; P132-E135 HydrophobicContact CB-CG 4.39Å; P132-E135 HydrophobicContact CG-CG 4.42Å; P132-E135 WeakPolarHBondContact O-CB 3.37Å; P132-E135 PolarHBondContact O-N 2.84Å; D133-E135 VanDerWaalsContact C-N 3.29Å; E135-S158 WeakPolarHBondContact OE2-CB 3.42Å; E135-S158 PolarHBondContact OE2-OG 2.9Å; E135-E159 PolarHBondContact OE2-N 3.44Å; E135-N160 WeakPolarHBondContact OE1-CB 3.18Å; E135-N160 PolarHBondContact OE1-ND2 2.89Å; E135-N160 PolarHBondContact OE2-N 3Å; E135-W161 VanDerWaalsContact CD-CD1 3.48Å
136	R	87.9	Confident	87.9	Confident	37 Å²	37	54.1 Å²	54.1	14%	0.14	28%	0.275	C	S	.	.			trans	-126.3	140.7	-179.1	-176.5	179	-74.3	-90.3	7.4	108.6	Y117 I138 S158 D260	Y117-R136 WeakPolarHBondContact OH-CG 3.34Å; R136-I138 PolarHBondContact O-N 2.82Å; R136-S158 WeakPolarHBondContact O-CA 3.49Å; R136-S158 VanDerWaalsContact O-CB 3.26Å; R136-S158 WeakPolarHBondContact O-CB 3.26Å; R136-D260 IonicContact CZ-OD2 3.93Å; R136-D260 IonicContact NE-OD2 2.67Å; R136-D260 IonicContact NH2-OD2 2.85Å; R136-D260 PolarHBondContact NH2-OD2 2.9Å
137	L	91.5	Very high	87.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.			trans	-66	125.2	177.9	-179.9	62.2	0	0	0	110	Y117 R120 N121 F124 V139 D140 Y156 Y248	Y117-L137 HydrophobicContact CE2-CB 4.39Å; Y117-L137 VanDerWaalsContact CE2-O 3.22Å; Y117-L137 WeakPolarHBondContact CE2-O 3.34Å; Y117-L137 PolarHBondContact OH-O 2.76Å; R120-L137 HydrophobicContact CB-CD2 3.71Å; N121-L137 HydrophobicContact CB-CB 4.12Å; N121-L137 WeakPolarHBondContact OD1-CB 3.24Å; N121-L137 PolarHBondContact OD1-N 2.81Å; F124-L137 HydrophobicContact CB-CD2 4.32Å; F124-L137 HydrophobicContact CD1-CB 4.01Å; F124-L137 HydrophobicContact CD2-CD1 4.34Å; F124-L137 HydrophobicContact CE1-CB 4.5Å; F124-L137 HydrophobicContact CG-CB 4.3Å; F124-L137 HydrophobicContact CG-CD1 4.33Å; L137-V139 WeakPolarHBondContact CD1-O 3.34Å; L137-D140 HydrophobicContact CD1-CB 4.45Å; L137-Y156 HydrophobicContact CD1-CD1 3.84Å; L137-Y156 HydrophobicContact CD1-CG 4.38Å; L137-Y156 HydrophobicContact CD2-CD1 4.29Å; L137-Y248 WeakPolarHBondContact CD2-OH 3.4Å
138	I	90.8	Very high	87.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.			trans	-93.5	-49.6	174.9	-61	175	0	0	0	110.1	R136 L157 S158 E159 L225 L235 L240 I243 Y248	R136-I138 PolarHBondContact O-N 2.82Å; I138-L157 PolarHBondContact N-O 2.79Å; I138-S158 VanDerWaalsContact CD1-C 3.47Å; I138-E159 HydrophobicContact CD1-CG 3.97Å; I138-L225 HydrophobicContact CD1-CD1 4.1Å; I138-L225 HydrophobicContact CD1-CD2 3.71Å; I138-L235 HydrophobicContact CD1-CD1 3.77Å; I138-L240 HydrophobicContact CG1-CD1 4.37Å; I138-L240 HydrophobicContact CG1-CG 4.48Å; I138-I243 HydrophobicContact CG2-CB 4.31Å; I138-I243 HydrophobicContact CG2-CG2 3.48Å; I138-I243 VanDerWaalsContact CG2-CG2 3.48Å; I138-Y248 WeakPolarHBondContact O-CE2 3.5Å
139	V	91.4	Very high	86.9	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.5	-177.6	63.9	0	0	0	0	110.6	L137 Y141 L157 M221 C247 Y248	L137-V139 WeakPolarHBondContact CD1-O 3.34Å; V139-Y141 HydrophobicContact CG1-CE2 3.99Å; V139-Y141 HydrophobicContact CG2-CD1 4.32Å; V139-Y141 HydrophobicContact CG2-CE1 3.67Å; V139-Y141 HydrophobicContact CG2-CE2 4.4Å; V139-L157 HydrophobicContact CG1-CB 4.04Å; V139-L157 HydrophobicContact CG1-CD1 3.75Å; V139-L157 HydrophobicContact CG1-CG 4.15Å; V139-L157 PolarHBondContact O-N 3.37Å; V139-M221 HydrophobicContact CG1-CG 4.06Å; V139-C247 HydrophobicContact CB-CB 4.47Å; V139-C247 HydrophobicContact CG2-CB 4.03Å; V139-Y248 WeakPolarHBondContact CA-OH 3.17Å
140	D	93	Very high	87	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139	173.2	105.2	-88.8	0	0	0	111.9	R120 L137 R154 L155 Y156 Y248	R120-D140 IonicContact NE-OD1 3.8Å; L137-D140 HydrophobicContact CD1-CB 4.45Å; D140-R154 IonicContact OD1-NH1 3.9Å; D140-R154 PolarHBondContact OD1-NH1 2.84Å; D140-R154 VanDerWaalsContact OD2-CD 3.28Å; D140-R154 WeakPolarHBondContact OD2-CD 3.35Å; D140-R154 IonicContact OD2-CZ 3.55Å; D140-R154 IonicContact OD2-NE 2.76Å; D140-R154 IonicContact OD2-NH1 3.25Å; D140-R154 PolarHBondContact OD2-NH1 3.44Å; D140-L155 CarbonylContact C-O 3.44Å; D140-L155 WeakPolarHBondContact CA-O 3.24Å; D140-Y156 HydrophobicContact CB-CD1 3.89Å; D140-Y156 HydrophobicContact CB-CE1 4.23Å; D140-Y156 HydrophobicContact CB-CG 4.38Å; D140-Y248 PolarHBondContact N-OH 2.89Å; D140-Y248 VanDerWaalsContact N-OH 3.11Å
141	Y	93.4	Very high	87.6	Confident	32 Å²	32	51 Å²	51	13%	0.125	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	-178.2	-61.5	-53.2	0	0	0	110.5	V139 R154 L155 L157 M221	V139-Y141 HydrophobicContact CG1-CE2 3.99Å; V139-Y141 HydrophobicContact CG2-CD1 4.32Å; V139-Y141 HydrophobicContact CG2-CE1 3.67Å; V139-Y141 HydrophobicContact CG2-CE2 4.4Å; Y141-R154 CarbonylContact O-C 3.56Å; Y141-R154 WeakPolarHBondContact O-CA 3.37Å; Y141-L155 PolarHBondContact N-O 2.9Å; Y141-L155 PolarHBondContact O-N 2.85Å; Y141-L157 HydrophobicContact CD2-CD1 4.4Å; Y141-L157 HydrophobicContact CE2-CD1 3.85Å; Y141-M221 VanDerWaalsContact OH-CB 3.32Å; Y141-M221 WeakPolarHBondContact OH-CB 3.35Å
142	S	91.6	Very high	87.7	Confident	65 Å²	65	57 Å²	57	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.2	168	-57.1	0	0	0	0	109.8	R154	S142-R154 PolarHBondContact OG-NH2 3.29Å
143	C	92.6	Very high	88.1	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	176.1	-178.3	68.9	0	0	0	0	110.4	G153 T210 F212	C143-G153 PolarHBondContact N-O 2.88Å; C143-G153 CarbonylContact O-C 3.6Å; C143-G153 PolarHBondContact O-N 2.86Å; C143-T210 CarbonylContact C-O 3.54Å; C143-T210 WeakPolarHBondContact CA-O 3.35Å; C143-T210 VanDerWaalsContact CB-O 3.27Å; C143-T210 WeakPolarHBondContact CB-O 3.14Å; C143-F212 HydrophobicContact CB-CD1 3.96Å; C143-F212 HydrophobicContact CB-CD2 4.48Å; C143-F212 HydrophobicContact CB-CE1 3.78Å; C143-F212 HydrophobicContact CB-CE2 4.34Å; C143-F212 HydrophobicContact CB-CG 4.31Å; C143-F212 HydrophobicContact CB-CZ 3.99Å
144	A	91.8	Very high	88.9	Confident	6 Å²	6	51.4 Å²	51.4	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.9	171.2	0	0	0	0	0	111	L150 L151 Q152 T210	A144-L150 HydrophobicContact CB-CD2 4.2Å; A144-L151 CarbonylContact C-O 3.52Å; A144-L151 VanDerWaalsContact CA-O 3.25Å; A144-L151 WeakPolarHBondContact CA-O 3.29Å; A144-Q152 HydrophobicContact CB-CB 4.39Å; A144-T210 PolarHBondContact N-O 3.34Å; A144-T210 PolarHBondContact O-N 3.41Å; A144-T210 PolarHBondContact O-OG1 2.94Å
145	L	91.7	Very high	89.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.3	173.7	173.3	68.4	0	0	0	109.6	K147 L151 F164 I175 H207 F209	L145-K147 HydrophobicContact CD2-CD 4.4Å; L145-K147 HydrophobicContact CD2-CG 4.24Å; L145-K147 HydrophobicContact CG-CG 4.28Å; L145-K147 PolarHBondContact O-N 3.06Å; L145-L151 HydrophobicContact CB-CB 4.36Å; L145-L151 HydrophobicContact CD2-CD1 4.47Å; L145-L151 PolarHBondContact N-O 2.84Å; L145-L151 PolarHBondContact O-N 3.18Å; L145-F164 HydrophobicContact CB-CD1 4.22Å; L145-F164 HydrophobicContact CB-CE1 3.67Å; L145-F164 HydrophobicContact CB-CE2 4.4Å; L145-F164 HydrophobicContact CB-CZ 3.78Å; L145-F164 HydrophobicContact CD2-CD1 4.13Å; L145-F164 HydrophobicContact CD2-CE1 4.07Å; L145-I175 HydrophobicContact CD2-CD1 3.48Å; L145-I175 VanDerWaalsContact CD2-CD1 3.48Å; L145-I175 HydrophobicContact CD2-CG1 4.49Å; L145-H207 HydrophobicContact CD1-CB 4.26Å; L145-F209 HydrophobicContact CB-CD1 4.2Å; L145-F209 HydrophobicContact CB-CE1 4.26Å; L145-F209 HydrophobicContact CD1-CD1 4.02Å; L145-F209 HydrophobicContact CD1-CE1 3.81Å; L145-F209 HydrophobicContact CD1-CZ 4.23Å
146	Q	87.7	Confident	89.9	Confident	75 Å²	75	46.6 Å²	46.6	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.3	170.8	-177.1	73	72	0	0	109.4	L150 F208 T210	Q146-L150 HydrophobicContact CB-CD2 4.15Å; Q146-L150 VanDerWaalsContact OE1-CD2 3.31Å; Q146-F208 HydrophobicContact CB-CB 4.23Å; Q146-F208 HydrophobicContact CB-CD1 3.81Å; Q146-F208 HydrophobicContact CB-CG 4.48Å; Q146-F208 WeakPolarHBondContact CB-O 3.4Å; Q146-F208 HydrophobicContact CG-CD1 4.3Å; Q146-F208 PolarHBondContact N-O 3.4Å; Q146-T210 HydrophobicContact CB-CG2 4.28Å
147	K	83.4	Confident	90.2	Very high	91 Å²	91	44.9 Å²	44.9	40%	0.396	23%	0.228	S	C	.	.	S	Bend	trans	-114	-138.3	155.5	-69.6	-163.5	166.8	-161.3	0	107.2	L145 I149 E205	L145-K147 HydrophobicContact CD2-CD 4.4Å; L145-K147 HydrophobicContact CD2-CG 4.24Å; L145-K147 HydrophobicContact CG-CG 4.28Å; L145-K147 PolarHBondContact O-N 3.06Å; K147-I149 CarbonylContact C-O 3.56Å; K147-I149 PolarHBondContact N-O 3.33Å; K147-I149 PolarHBondContact O-N 3.46Å; K147-E205 IonicContact NZ-OE2 3.83Å
148	D	78.1	Confident	90.2	Very high	163 Å²	163	44.9 Å²	44.9	87%	0.872	23%	0.228	S	C	*	.	S	Bend	trans	-59.6	-26.9	174.2	-46.1	-77	0	0	0	112.5
149	I	82.9	Confident	90.2	Very high	115 Å²	115	47.2 Å²	47.2	59%	0.59	24%	0.239	S	C	*	.	S	Bend	trans	-129.5	165.1	169.5	60.8	172.9	0	0	0	110.5	K147 L151	K147-I149 CarbonylContact C-O 3.56Å; K147-I149 PolarHBondContact N-O 3.33Å; K147-I149 PolarHBondContact O-N 3.46Å; I149-L151 HydrophobicContact CD1-CD2 3.8Å; I149-L151 HydrophobicContact CG1-CD2 3.86Å; I149-L151 HydrophobicContact CG1-CG 4.29Å; I149-L151 PolarHBondContact O-N 3.13Å
150	L	84	Confident	90.2	Very high	90 Å²	90	49.1 Å²	49.1	47%	0.471	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	106.4	170.9	-78.3	168.3	0	0	0	110.3	A144 Q146 Q152 T210	A144-L150 HydrophobicContact CB-CD2 4.2Å; Q146-L150 HydrophobicContact CB-CD2 4.15Å; Q146-L150 VanDerWaalsContact OE1-CD2 3.31Å; L150-Q152 PolarHBondContact O-N 3.25Å; L150-T210 HydrophobicContact CD2-CG2 4.4Å
151	L	89.9	Confident	90.2	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	95.1	174.9	-62.3	176.2	0	0	0	109.2	A144 L145 I149 F164 T173	A144-L151 CarbonylContact C-O 3.52Å; A144-L151 VanDerWaalsContact CA-O 3.25Å; A144-L151 WeakPolarHBondContact CA-O 3.29Å; L145-L151 HydrophobicContact CB-CB 4.36Å; L145-L151 HydrophobicContact CD2-CD1 4.47Å; L145-L151 PolarHBondContact N-O 2.84Å; L145-L151 PolarHBondContact O-N 3.18Å; I149-L151 HydrophobicContact CD1-CD2 3.8Å; I149-L151 HydrophobicContact CG1-CD2 3.86Å; I149-L151 HydrophobicContact CG1-CG 4.29Å; I149-L151 PolarHBondContact O-N 3.13Å; L151-F164 WeakPolarHBondContact O-CZ 3.22Å; L151-T173 HydrophobicContact CD1-CG2 4.04Å
152	Q	89.8	Confident	90.3	Very high	149 Å²	149	49 Å²	49	70%	0.696	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	126.8	174.4	-179.1	179.5	-31.5	0	0	111.8	A144 L150 S166 I168	A144-Q152 HydrophobicContact CB-CB 4.39Å; L150-Q152 PolarHBondContact O-N 3.25Å; Q152-S166 PolarHBondContact O-OG 2.76Å; Q152-I168 HydrophobicContact CB-CD1 4.05Å
153	G	92.9	Very high	90.4	Very high	16 Å²	16	46 Å²	46	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-152.1	-176.2	0	0	0	0	0	113.7	C143 Y165	C143-G153 PolarHBondContact N-O 2.88Å; C143-G153 CarbonylContact O-C 3.6Å; C143-G153 PolarHBondContact O-N 2.86Å; G153-Y165 CarbonylContact C-O 3.48Å; G153-Y165 VanDerWaalsContact CA-O 3.23Å; G153-Y165 WeakPolarHBondContact CA-O 3.46Å
154	R	93.6	Very high	90.5	Very high	73 Å²	73	45.7 Å²	45.7	28%	0.275	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.9	175.9	-76.9	176	177.9	-94.9	-7.3	111.3	D140 Y141 S142 Y156 F164 Y165	D140-R154 IonicContact OD1-NH1 3.9Å; D140-R154 PolarHBondContact OD1-NH1 2.84Å; D140-R154 VanDerWaalsContact OD2-CD 3.28Å; D140-R154 WeakPolarHBondContact OD2-CD 3.35Å; D140-R154 IonicContact OD2-CZ 3.55Å; D140-R154 IonicContact OD2-NE 2.76Å; D140-R154 IonicContact OD2-NH1 3.25Å; D140-R154 PolarHBondContact OD2-NH1 3.44Å; Y141-R154 CarbonylContact O-C 3.56Å; Y141-R154 WeakPolarHBondContact O-CA 3.37Å; S142-R154 PolarHBondContact OG-NH2 3.29Å; R154-Y156 HydrophobicContact CB-CD2 4.23Å; R154-Y156 HydrophobicContact CB-CE2 3.51Å; R154-F164 WeakPolarHBondContact O-CA 3.33Å; R154-F164 VanDerWaalsContact O-CD2 3.31Å; R154-F164 WeakPolarHBondContact O-CD2 3.43Å; R154-Y165 PolarHBondContact N-O 3.44Å; R154-Y165 PolarHBondContact O-N 3.31Å
155	L	94.8	Very high	90.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.1	173.4	-173.6	73.5	0	0	0	108.7	D140 Y141 L157 L162 C163 F164 F209 F212 I222	D140-L155 CarbonylContact C-O 3.44Å; D140-L155 WeakPolarHBondContact CA-O 3.24Å; Y141-L155 PolarHBondContact N-O 2.9Å; Y141-L155 PolarHBondContact O-N 2.85Å; L155-L157 HydrophobicContact CG-CD2 4.38Å; L155-L162 HydrophobicContact CD1-CD2 3.78Å; L155-L162 HydrophobicContact CD1-CG 3.91Å; L155-L162 HydrophobicContact CD2-CD1 4.45Å; L155-L162 HydrophobicContact CG-CG 4.5Å; L155-C163 CarbonylContact C-O 3.49Å; L155-C163 WeakPolarHBondContact CA-O 3.36Å; L155-F164 HydrophobicContact CB-CD2 4.42Å; L155-F164 HydrophobicContact CD1-CB 3.97Å; L155-F164 HydrophobicContact CD1-CD2 4.49Å; L155-F209 HydrophobicContact CD1-CE1 4.09Å; L155-F209 HydrophobicContact CD1-CZ 4.12Å; L155-F212 HydrophobicContact CD2-CE1 4.02Å; L155-F212 HydrophobicContact CD2-CZ 4.05Å; L155-I222 HydrophobicContact CD2-CD1 4Å
156	Y	95	Very high	90.7	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.2	179.9	-58.7	-103.6	0	0	0	108.9	F124 F128 L137 D140 R154 C163	F124-Y156 HydrophobicContact CB-CD1 4.02Å; F124-Y156 HydrophobicContact CB-CE1 4.31Å; F124-Y156 AromaticContact CD2-CD1 3.8Å; F124-Y156 HydrophobicContact CD2-CD1 3.8Å; F124-Y156 AromaticContact CD2-CG 3.81Å; F124-Y156 HydrophobicContact CD2-CG 3.81Å; F124-Y156 HydrophobicContact CE2-CG 4.44Å; F124-Y156 HydrophobicContact CG-CD1 4.31Å; F128-Y156 AromaticContact CE2-CD2 3.74Å; F128-Y156 HydrophobicContact CE2-CD2 3.74Å; F128-Y156 HydrophobicContact CE2-CE2 4.15Å; F128-Y156 HydrophobicContact CE2-CG 4.19Å; F128-Y156 HydrophobicContact CZ-CD2 4.26Å; L137-Y156 HydrophobicContact CD1-CD1 3.84Å; L137-Y156 HydrophobicContact CD1-CG 4.38Å; L137-Y156 HydrophobicContact CD2-CD1 4.29Å; D140-Y156 HydrophobicContact CB-CD1 3.89Å; D140-Y156 HydrophobicContact CB-CE1 4.23Å; D140-Y156 HydrophobicContact CB-CG 4.38Å; R154-Y156 HydrophobicContact CB-CD2 4.23Å; R154-Y156 HydrophobicContact CB-CE2 3.51Å; Y156-C163 PolarHBondContact N-O 3.39Å; Y156-C163 PolarHBondContact O-N 3.38Å
157	L	94.5	Very high	90.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.8	176.5	-53.9	-179.4	0	0	0	110.4	I138 V139 Y141 L155 L162 M221 I222 L225	I138-L157 PolarHBondContact N-O 2.79Å; V139-L157 HydrophobicContact CG1-CB 4.04Å; V139-L157 HydrophobicContact CG1-CD1 3.75Å; V139-L157 HydrophobicContact CG1-CG 4.15Å; V139-L157 PolarHBondContact O-N 3.37Å; Y141-L157 HydrophobicContact CD2-CD1 4.4Å; Y141-L157 HydrophobicContact CE2-CD1 3.85Å; L155-L157 HydrophobicContact CG-CD2 4.38Å; L157-L162 HydrophobicContact CD2-CB 3.98Å; L157-L162 HydrophobicContact CD2-CD1 3.62Å; L157-L162 HydrophobicContact CD2-CG 3.69Å; L157-M221 HydrophobicContact CD1-CG 4.49Å; L157-I222 HydrophobicContact CD1-CB 4.48Å; L157-I222 HydrophobicContact CD1-CG1 3.52Å; L157-I222 HydrophobicContact CD2-CG1 4.18Å; L157-I222 HydrophobicContact CG-CG1 4.5Å; L157-L225 HydrophobicContact CB-CD1 3.91Å; L157-L225 HydrophobicContact CD1-CD1 4Å
158	S	92.3	Very high	90.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.			trans	-115.9	-168.4	165.6	71	0	0	0	0	109.8	E135 R136 I138 W161	E135-S158 WeakPolarHBondContact OE2-CB 3.42Å; E135-S158 PolarHBondContact OE2-OG 2.9Å; R136-S158 WeakPolarHBondContact O-CA 3.49Å; R136-S158 VanDerWaalsContact O-CB 3.26Å; R136-S158 WeakPolarHBondContact O-CB 3.26Å; I138-S158 VanDerWaalsContact CD1-C 3.47Å; S158-W161 PolarHBondContact N-O 2.96Å; S158-W161 PolarHBondContact OG-N 3.15Å
159	E	89.8	Confident	90.1	Very high	50 Å²	50	47.1 Å²	47.1	23%	0.234	23%	0.225	C	C	.	.	S	Bend	trans	-66.3	-41.2	-178.2	-66.4	-167.2	167.1	0	0	112.6	E135 I138 L240	E135-E159 PolarHBondContact OE2-N 3.44Å; I138-E159 HydrophobicContact CD1-CG 3.97Å; E159-L240 HydrophobicContact CG-CD1 4.38Å; E159-L240 WeakPolarHBondContact OE1-CD1 3.16Å
160	N	90.6	Very high	89.5	Confident	44 Å²	44	52.9 Å²	52.9	24%	0.235	24%	0.24	C	C	.	.	S	Bend	trans	-113.2	-8.2	-175.3	-59.1	-78.3	0	0	0	114.2	E135 Q178 L179	E135-N160 WeakPolarHBondContact OE1-CB 3.18Å; E135-N160 PolarHBondContact OE1-ND2 2.89Å; E135-N160 PolarHBondContact OE2-N 3Å; N160-Q178 WeakPolarHBondContact O-CG 3.36Å; N160-L179 PolarHBondContact O-N 2.69Å
161	W	93.7	Very high	89.2	Confident	50 Å²	50	58.3 Å²	58.3	19%	0.189	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.4	-170.7	-59.5	84.1	0	0	0	114	L131 E135 S158 T176 Q178	L131-W161 HydrophobicContact CD2-CB 4.04Å; L131-W161 HydrophobicContact CD2-CD2 3.54Å; L131-W161 HydrophobicContact CD2-CE3 3.98Å; L131-W161 HydrophobicContact CD2-CG 3.56Å; E135-W161 VanDerWaalsContact CD-CD1 3.48Å; S158-W161 PolarHBondContact N-O 2.96Å; S158-W161 PolarHBondContact OG-N 3.15Å; W161-T176 HydrophobicContact CD2-CG2 4.37Å; W161-T176 HydrophobicContact CE3-CG2 3.45Å; W161-T176 VanDerWaalsContact CE3-CG2 3.45Å; W161-T176 HydrophobicContact CZ3-CG2 3.71Å; W161-Q178 HydrophobicContact CD2-CB 4.29Å; W161-Q178 HydrophobicContact CD2-CG 4.14Å; W161-Q178 HydrophobicContact CE3-CB 3.86Å; W161-Q178 HydrophobicContact CE3-CG 4.22Å; W161-Q178 HydrophobicContact CH2-CB 3.92Å; W161-Q178 HydrophobicContact CH2-CG 4.08Å; W161-Q178 HydrophobicContact CZ2-CB 4.34Å; W161-Q178 HydrophobicContact CZ2-CG 4Å; W161-Q178 HydrophobicContact CZ3-CB 3.66Å; W161-Q178 HydrophobicContact CZ3-CG 4.19Å
162	L	94.9	Very high	89.1	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.1	171.5	177.8	144	0	0	0	108	L155 L157 I177 L179 I200 F209 I222	L155-L162 HydrophobicContact CD1-CD2 3.78Å; L155-L162 HydrophobicContact CD1-CG 3.91Å; L155-L162 HydrophobicContact CD2-CD1 4.45Å; L155-L162 HydrophobicContact CG-CG 4.5Å; L157-L162 HydrophobicContact CD2-CB 3.98Å; L157-L162 HydrophobicContact CD2-CD1 3.62Å; L157-L162 HydrophobicContact CD2-CG 3.69Å; L162-I177 HydrophobicContact CD2-CB 4.37Å; L162-I177 HydrophobicContact CD2-CD1 3.79Å; L162-I177 PolarHBondContact N-O 2.9Å; L162-I177 PolarHBondContact O-N 3.36Å; L162-L179 HydrophobicContact CB-CD2 3.97Å; L162-L179 HydrophobicContact CD1-CD2 4.45Å; L162-I200 HydrophobicContact CD1-CD1 3.4Å; L162-I200 VanDerWaalsContact CD1-CD1 3.4Å; L162-I200 HydrophobicContact CD2-CD1 3.96Å; L162-I200 HydrophobicContact CG-CD1 4.36Å; L162-F209 HydrophobicContact CD2-CE2 4.36Å; L162-F209 HydrophobicContact CD2-CZ 4.43Å; L162-I222 HydrophobicContact CD1-CG1 4.38Å; L162-I222 HydrophobicContact CD1-CG2 3.7Å
163	C	94.6	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.9	-168.7	-70.1	0	0	0	0	111.4	F124 F128 L155 Y156 I175	F124-C163 HydrophobicContact CE2-CB 4.31Å; F128-C163 HydrophobicContact CD1-CB 3.97Å; F128-C163 HydrophobicContact CD2-CB 4.17Å; F128-C163 HydrophobicContact CE1-CB 3.68Å; F128-C163 HydrophobicContact CE2-CB 3.89Å; F128-C163 HydrophobicContact CG-CB 4.21Å; F128-C163 HydrophobicContact CZ-CB 3.63Å; L155-C163 CarbonylContact C-O 3.49Å; L155-C163 WeakPolarHBondContact CA-O 3.36Å; Y156-C163 PolarHBondContact N-O 3.39Å; Y156-C163 PolarHBondContact O-N 3.38Å; C163-I175 CarbonylContact C-O 3.55Å; C163-I175 VanDerWaalsContact CA-O 3.28Å; C163-I175 WeakPolarHBondContact CA-O 3.38Å
164	F	95.3	Very high	89	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.6	178.9	176.3	-97.8	0	0	0	110.7	L145 L151 R154 L155 T174 I175 F209	L145-F164 HydrophobicContact CB-CD1 4.22Å; L145-F164 HydrophobicContact CB-CE1 3.67Å; L145-F164 HydrophobicContact CB-CE2 4.4Å; L145-F164 HydrophobicContact CB-CZ 3.78Å; L145-F164 HydrophobicContact CD2-CD1 4.13Å; L145-F164 HydrophobicContact CD2-CE1 4.07Å; L151-F164 WeakPolarHBondContact O-CZ 3.22Å; R154-F164 WeakPolarHBondContact O-CA 3.33Å; R154-F164 VanDerWaalsContact O-CD2 3.31Å; R154-F164 WeakPolarHBondContact O-CD2 3.43Å; L155-F164 HydrophobicContact CB-CD2 4.42Å; L155-F164 HydrophobicContact CD1-CB 3.97Å; L155-F164 HydrophobicContact CD1-CD2 4.49Å; F164-T174 CarbonylContact O-C 3.49Å; F164-T174 VanDerWaalsContact O-CA 3.3Å; F164-T174 WeakPolarHBondContact O-CA 3.43Å; F164-I175 HydrophobicContact CB-CB 4.32Å; F164-I175 PolarHBondContact N-O 3.35Å; F164-I175 PolarHBondContact O-N 2.94Å; F164-F209 HydrophobicContact CB-CE1 3.81Å; F164-F209 HydrophobicContact CB-CZ 4.3Å; F164-F209 HydrophobicContact CD1-CE1 4.4Å; F164-F209 HydrophobicContact CD2-CD1 4.18Å; F164-F209 AromaticContact CD2-CE1 3.83Å; F164-F209 HydrophobicContact CD2-CE1 3.83Å; F164-F209 AromaticContact CG-CE1 3.75Å; F164-F209 HydrophobicContact CG-CE1 3.75Å
165	Y	94.4	Very high	88.9	Confident	45 Å²	45	58.7 Å²	58.7	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.6	173.2	171.8	-98.9	0	0	0	110.6	I127 G153 R154 N167 E172 T173 T174	I127-Y165 HydrophobicContact CD1-CD1 3.95Å; I127-Y165 HydrophobicContact CD1-CE1 4.16Å; I127-Y165 HydrophobicContact CD1-CG 4.15Å; I127-Y165 HydrophobicContact CG2-CD2 3.56Å; I127-Y165 HydrophobicContact CG2-CE2 4.15Å; I127-Y165 HydrophobicContact CG2-CG 3.86Å; G153-Y165 CarbonylContact C-O 3.48Å; G153-Y165 VanDerWaalsContact CA-O 3.23Å; G153-Y165 WeakPolarHBondContact CA-O 3.46Å; R154-Y165 PolarHBondContact N-O 3.44Å; R154-Y165 PolarHBondContact O-N 3.31Å; Y165-N167 HydrophobicContact CE1-CB 4.01Å; Y165-N167 WeakPolarHBondContact OH-CB 3.44Å; Y165-N167 PolarHBondContact OH-ND2 3.46Å; Y165-N167 VanDerWaalsContact OH-ND2 3.13Å; Y165-E172 HydrophobicContact CE2-CB 4.29Å; Y165-E172 HydrophobicContact CE2-CG 4.3Å; Y165-E172 WeakPolarHBondContact CE2-OE1 3.31Å; Y165-E172 PolarHBondContact OH-OE1 2.7Å; Y165-T173 WeakPolarHBondContact CA-O 3.5Å; Y165-T174 HydrophobicContact CD2-CG2 3.83Å
166	S	92.8	Very high	88.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.8	173.5	160.5	0	0	0	0	108.9	Q152 E172 T173	Q152-S166 PolarHBondContact O-OG 2.76Å; S166-E172 WeakPolarHBondContact O-CA 3.13Å; S166-T173 PolarHBondContact N-O 2.97Å; S166-T173 PolarHBondContact O-N 2.79Å
167	N	85.6	Confident	88.8	Confident	77 Å²	77	61.3 Å²	61.3	41%	0.412	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	104.2	172.3	-174.3	-20.6	0	0	0	108.7	Y165 W171 E172	Y165-N167 HydrophobicContact CE1-CB 4.01Å; Y165-N167 WeakPolarHBondContact OH-CB 3.44Å; Y165-N167 PolarHBondContact OH-ND2 3.46Å; Y165-N167 VanDerWaalsContact OH-ND2 3.13Å; N167-W171 WeakPolarHBondContact CA-O 3.31Å; N167-E172 HydrophobicContact CB-CG 4.42Å; N167-E172 PolarHBondContact ND2-OE1 3.12Å
168	I	80.1	Confident	88.7	Confident	53 Å²	53	64 Å²	64	27%	0.272	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.1	-177.6	-57.2	178.8	0	0	0	107.8	Q152 R170 W171	Q152-I168 HydrophobicContact CB-CD1 4.05Å; I168-R170 PolarHBondContact O-N 2.93Å; I168-R170 VanDerWaalsContact O-N 3.09Å; I168-W171 PolarHBondContact N-O 2.95Å; I168-W171 WeakPolarHBondContact O-CB 3.23Å; I168-W171 PolarHBondContact O-N 3.45Å
169	F	71.3	Confident	88.7	Confident	189 Å²	189	64.1 Å²	64.1	83%	0.829	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	31.2	-175.3	-55.7	-59.5	0	0	0	114.5	W171	F169-W171 VanDerWaalsContact C-N 3.29Å; F169-W171 PolarHBondContact O-N 3.47Å
170	R	69.8	Low	88.7	Confident	236 Å²	236	65.3 Å²	65.3	89%	0.891	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11.2	-173.7	-50.4	-178.9	178.3	-177.7	-0.8	116	I168	I168-R170 PolarHBondContact O-N 2.93Å; I168-R170 VanDerWaalsContact O-N 3.09Å
171	W	78.3	Confident	88.8	Confident	204 Å²	204	66.8 Å²	66.8	77%	0.773	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	110.5	170.7	-58.3	86.1	0	0	0	109.3	N167 I168 F169	N167-W171 WeakPolarHBondContact CA-O 3.31Å; I168-W171 PolarHBondContact N-O 2.95Å; I168-W171 WeakPolarHBondContact O-CB 3.23Å; I168-W171 PolarHBondContact O-N 3.45Å; F169-W171 VanDerWaalsContact C-N 3.29Å; F169-W171 PolarHBondContact O-N 3.47Å
172	E	86.5	Confident	88.7	Confident	127 Å²	127	64.8 Å²	64.8	59%	0.593	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	175.3	-59.1	-159.4	126.5	0	0	110.3	Y165 S166 N167	Y165-E172 HydrophobicContact CE2-CB 4.29Å; Y165-E172 HydrophobicContact CE2-CG 4.3Å; Y165-E172 WeakPolarHBondContact CE2-OE1 3.31Å; Y165-E172 PolarHBondContact OH-OE1 2.7Å; S166-E172 WeakPolarHBondContact O-CA 3.13Å; N167-E172 HydrophobicContact CB-CG 4.42Å; N167-E172 PolarHBondContact ND2-OE1 3.12Å
173	T	89.4	Confident	88.5	Confident	40 Å²	40	67 Å²	67	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.5	172.3	-58.8	0	0	0	0	108.7	L151 Y165 S166	L151-T173 HydrophobicContact CD1-CG2 4.04Å; Y165-T173 WeakPolarHBondContact CA-O 3.5Å; S166-T173 PolarHBondContact N-O 2.97Å; S166-T173 PolarHBondContact O-N 2.79Å
174	T	92.4	Very high	88.2	Confident	80 Å²	80	69 Å²	69	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.2	168.7	43.2	0	0	0	0	110.8	I127 F128 F164 Y165	I127-T174 HydrophobicContact CG2-CG2 4.16Å; F128-T174 HydrophobicContact CD1-CG2 4.44Å; F128-T174 HydrophobicContact CE1-CG2 3.88Å; F164-T174 CarbonylContact O-C 3.49Å; F164-T174 VanDerWaalsContact O-CA 3.3Å; F164-T174 WeakPolarHBondContact O-CA 3.43Å; Y165-T174 HydrophobicContact CD2-CG2 3.83Å
175	I	91.9	Very high	87.9	Confident	22 Å²	22	69.8 Å²	69.8	11%	0.113	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.5	164.1	-65.6	-174.4	0	0	0	107.2	L145 C163 F164 I177	L145-I175 HydrophobicContact CD2-CD1 3.48Å; L145-I175 VanDerWaalsContact CD2-CD1 3.48Å; L145-I175 HydrophobicContact CD2-CG1 4.49Å; C163-I175 CarbonylContact C-O 3.55Å; C163-I175 VanDerWaalsContact CA-O 3.28Å; C163-I175 WeakPolarHBondContact CA-O 3.38Å; F164-I175 HydrophobicContact CB-CB 4.32Å; F164-I175 PolarHBondContact N-O 3.35Å; F164-I175 PolarHBondContact O-N 2.94Å; I175-I177 HydrophobicContact CG2-CD1 3.6Å; I175-I177 HydrophobicContact CG2-CG1 3.77Å
176	T	93.6	Very high	87.6	Confident	58 Å²	58	70.1 Å²	70.1	36%	0.356	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	113.7	179.6	-66.2	0	0	0	0	107.3	L131 W161	L131-T176 HydrophobicContact CD2-CG2 3.8Å; W161-T176 HydrophobicContact CD2-CG2 4.37Å; W161-T176 HydrophobicContact CE3-CG2 3.45Å; W161-T176 VanDerWaalsContact CE3-CG2 3.45Å; W161-T176 HydrophobicContact CZ3-CG2 3.71Å
177	I	93.3	Very high	87.5	Confident	10 Å²	10	74.4 Å²	74.4	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.2	-175.6	-64.7	153.6	0	0	0	107.1	L162 I175 V182 T202 H207	L162-I177 HydrophobicContact CD2-CB 4.37Å; L162-I177 HydrophobicContact CD2-CD1 3.79Å; L162-I177 PolarHBondContact N-O 2.9Å; L162-I177 PolarHBondContact O-N 3.36Å; I175-I177 HydrophobicContact CG2-CD1 3.6Å; I175-I177 HydrophobicContact CG2-CG1 3.77Å; I177-V182 HydrophobicContact CG2-CG2 3.74Å; I177-T202 HydrophobicContact CG1-CG2 4.41Å; I177-T202 HydrophobicContact CG2-CG2 3.75Å; I177-H207 WeakPolarHBondContact CD1-CD2 3.45Å
178	Q	93	Very high	87.4	Confident	58 Å²	58	73.6 Å²	73.6	27%	0.271	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.7	170	-155.9	171.7	17.2	0	0	108.1	N160 W161 K180 D181	N160-Q178 WeakPolarHBondContact O-CG 3.36Å; W161-Q178 HydrophobicContact CD2-CB 4.29Å; W161-Q178 HydrophobicContact CD2-CG 4.14Å; W161-Q178 HydrophobicContact CE3-CB 3.86Å; W161-Q178 HydrophobicContact CE3-CG 4.22Å; W161-Q178 HydrophobicContact CH2-CB 3.92Å; W161-Q178 HydrophobicContact CH2-CG 4.08Å; W161-Q178 HydrophobicContact CZ2-CB 4.34Å; W161-Q178 HydrophobicContact CZ2-CG 4Å; W161-Q178 HydrophobicContact CZ3-CB 3.66Å; W161-Q178 HydrophobicContact CZ3-CG 4.19Å; Q178-K180 PolarHBondContact O-N 3.18Å; Q178-K180 VanDerWaalsContact O-N 3.14Å; Q178-D181 WeakPolarHBondContact CB-OD2 3.29Å; Q178-D181 WeakPolarHBondContact O-CB 3.33Å; Q178-D181 PolarHBondContact O-N 3.43Å
179	L	91.4	Very high	87.3	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27	-178.6	-72.3	170	0	0	0	111.8	N160 L162 D181 V182 L225 W226 A229	N160-L179 PolarHBondContact O-N 2.69Å; L162-L179 HydrophobicContact CB-CD2 3.97Å; L162-L179 HydrophobicContact CD1-CD2 4.45Å; L179-D181 VanDerWaalsContact C-N 3.25Å; L179-D181 PolarHBondContact O-N 2.87Å; L179-V182 PolarHBondContact O-N 3.23Å; L179-L225 HydrophobicContact CD1-CB 3.83Å; L179-W226 HydrophobicContact CD2-CB 4.42Å; L179-W226 PolarHBondContact O-NE1 2.97Å; L179-A229 HydrophobicContact CB-CB 3.64Å; L179-A229 HydrophobicContact CD1-CB 4.47Å
180	K	90.3	Very high	87.1	Confident	76 Å²	76	69.8 Å²	69.8	33%	0.33	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-68.1	-22	175.4	-55.3	-163.5	-174.9	-165.2	0	113.7	Q178 A229 D232	Q178-K180 PolarHBondContact O-N 3.18Å; Q178-K180 VanDerWaalsContact O-N 3.14Å; K180-A229 WeakPolarHBondContact CE-O 3.36Å; K180-A229 HydrophobicContact CG-CB 4.06Å; K180-D232 IonicContact NZ-OD1 3.62Å; K180-D232 PolarHBondContact NZ-OD1 2.93Å
181	D	91.8	Very high	86.4	Confident	75 Å²	75	63 Å²	63	40%	0.401	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-89.2	-3.6	-179.6	-50.4	-20	0	0	0	112.7	Q178 L179 T183 T202	Q178-D181 WeakPolarHBondContact CB-OD2 3.29Å; Q178-D181 WeakPolarHBondContact O-CB 3.33Å; Q178-D181 PolarHBondContact O-N 3.43Å; L179-D181 VanDerWaalsContact C-N 3.25Å; L179-D181 PolarHBondContact O-N 2.87Å; D181-T183 PolarHBondContact O-N 3.27Å; D181-T202 WeakPolarHBondContact O-CA 3.5Å; D181-T202 WeakPolarHBondContact O-CB 3.35Å
182	V	92.6	Very high	85.1	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.5	177.5	175.2	0	0	0	0	109.1	I177 L179 I200 W226	I177-V182 HydrophobicContact CG2-CG2 3.74Å; L179-V182 PolarHBondContact O-N 3.23Å; V182-I200 HydrophobicContact CB-CG2 4.36Å; V182-I200 HydrophobicContact CG1-CG2 3.74Å; V182-I200 HydrophobicContact CG2-CG2 3.69Å; V182-W226 HydrophobicContact CG1-CD2 4.22Å; V182-W226 HydrophobicContact CG1-CZ2 4.04Å; V182-W226 VanDerWaalsContact O-CZ2 3.31Å; V182-W226 WeakPolarHBondContact O-CZ2 3.43Å; V182-W226 PolarHBondContact O-NE1 3.15Å
183	T	89.7	Confident	83.3	Confident	47 Å²	47	63 Å²	63	29%	0.288	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-33	-179.1	60.1	0	0	0	0	112.1	D181 S201 T202 D203	D181-T183 PolarHBondContact O-N 3.27Å; T183-S201 PolarHBondContact N-O 2.83Å; T183-S201 PolarHBondContact OG1-O 2.95Å; T183-T202 PolarHBondContact OG1-O 3.04Å; T183-D203 WeakPolarHBondContact CG2-OD1 3.46Å
184	S	88.1	Confident	82.1	Confident	42 Å²	42	65.3 Å²	65.3	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	148.2	-179.5	52.9	0	0	0	0	111.7	S201	S184-S201 PolarHBondContact O-N 2.77Å; S184-S201 VanDerWaalsContact OG-CB 3.29Å; S184-S201 WeakPolarHBondContact OG-CB 3.49Å; S184-S201 PolarHBondContact OG-OG 3.25Å; S184-S201 VanDerWaalsContact OG-OG 3.09Å
185	M	90.8	Very high	80.5	Confident	17 Å²	17	64.4 Å²	64.4	8%	0.084	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.3	172.8	-177.2	174.7	58.9	0	0	110.7	I198 Q199 I200 F219 I222 F223 W226	M185-I198 HydrophobicContact CG-CG2 3.63Å; M185-I198 HydrophobicContact SD-CG2 3.59Å; M185-I198 VanDerWaalsContact SD-CG2 3.59Å; M185-Q199 CarbonylContact C-O 3.59Å; M185-Q199 VanDerWaalsContact CA-O 3.28Å; M185-Q199 WeakPolarHBondContact CA-O 3.39Å; M185-Q199 WeakPolarHBondContact CG-O 3.44Å; M185-I200 HydrophobicContact CG-CG1 4.04Å; M185-I200 HydrophobicContact SD-CD1 4.27Å; M185-I200 HydrophobicContact SD-CG1 4.1Å; M185-F219 HydrophobicContact CB-CE2 4.5Å; M185-F219 HydrophobicContact CE-CD1 4.4Å; M185-F219 HydrophobicContact CE-CD2 3.92Å; M185-F219 HydrophobicContact CE-CE1 4.22Å; M185-F219 HydrophobicContact CE-CE2 3.74Å; M185-F219 HydrophobicContact CE-CG 4.26Å; M185-F219 HydrophobicContact CE-CZ 3.9Å; M185-F219 HydrophobicContact CG-CD2 4.2Å; M185-F219 HydrophobicContact CG-CE2 3.75Å; M185-F219 HydrophobicContact SD-CD2 4.17Å; M185-F219 HydrophobicContact SD-CE2 4.18Å; M185-I222 HydrophobicContact CE-CB 4.07Å; M185-I222 HydrophobicContact CE-CG2 3.84Å; M185-I222 HydrophobicContact SD-CB 4Å; M185-I222 HydrophobicContact SD-CG2 3.44Å; M185-I222 WeakPolarHBondContact SD-CG2 3.45Å; M185-F223 HydrophobicContact CE-CB 3.66Å; M185-F223 HydrophobicContact CE-CD2 3.93Å; M185-F223 HydrophobicContact CE-CG 4.31Å; M185-W226 HydrophobicContact CB-CZ3 4.36Å
186	T	87.7	Confident	79.9	Confident	51 Å²	51	66.5 Å²	66.5	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150	-176.3	60.5	0	0	0	0	113	E188 I198 Q199	T186-E188 VanDerWaalsContact CB-OE1 3.32Å; T186-E188 WeakPolarHBondContact CB-OE1 3.45Å; T186-E188 PolarHBondContact O-N 2.84Å; T186-E188 PolarHBondContact OG1-OE1 3.15Å; T186-I198 WeakPolarHBondContact O-CA 3.47Å; T186-Q199 PolarHBondContact N-O 2.97Å; T186-Q199 PolarHBondContact O-N 2.71Å; T186-Q199 PolarHBondContact OG1-NE2 2.88Å
187	K	89.8	Confident	79.6	Confident	91 Å²	91	63.7 Å²	63.7	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	97.9	177.6	-66.1	178.3	-168.9	173.8	0	109.6	E216 F219	K187-E216 WeakPolarHBondContact CE-OE1 3.35Å; K187-E216 IonicContact NZ-OE1 3.4Å; K187-E216 PolarHBondContact NZ-OE1 2.92Å; K187-F219 HydrophobicContact CD-CD1 4.38Å; K187-F219 HydrophobicContact CD-CD2 4.33Å; K187-F219 HydrophobicContact CD-CE1 4.45Å; K187-F219 HydrophobicContact CD-CE2 4.37Å; K187-F219 HydrophobicContact CD-CG 4.33Å; K187-F219 HydrophobicContact CD-CZ 4.44Å; K187-F219 HydrophobicContact CG-CD1 4.31Å; K187-F219 HydrophobicContact CG-CD2 3.43Å; K187-F219 VanDerWaalsContact CG-CD2 3.43Å; K187-F219 HydrophobicContact CG-CE1 4.35Å; K187-F219 HydrophobicContact CG-CE2 3.44Å; K187-F219 VanDerWaalsContact CG-CE2 3.44Å; K187-F219 HydrophobicContact CG-CG 3.89Å; K187-F219 HydrophobicContact CG-CZ 3.93Å
188	E	83.3	Confident	79.6	Confident	61 Å²	61	63.2 Å²	63.2	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	165.4	-169.2	-67.7	-58.3	154.9	0	0	114.4	T186 A197 Q199 F208	T186-E188 VanDerWaalsContact CB-OE1 3.32Å; T186-E188 WeakPolarHBondContact CB-OE1 3.45Å; T186-E188 PolarHBondContact O-N 2.84Å; T186-E188 PolarHBondContact OG1-OE1 3.15Å; E188-A197 HydrophobicContact CB-CB 3.82Å; E188-A197 PolarHBondContact N-O 2.92Å; E188-A197 PolarHBondContact O-N 3.26Å; E188-Q199 HydrophobicContact CG-CB 3.65Å; E188-F208 HydrophobicContact CB-CD2 4.43Å; E188-F208 HydrophobicContact CB-CE2 3.51Å; E188-F208 HydrophobicContact CB-CZ 3.87Å; E188-F208 HydrophobicContact CG-CD2 4.32Å; E188-F208 HydrophobicContact CG-CE2 3.7Å
189	K	77.6	Confident	79.5	Confident	127 Å²	127	62.5 Å²	62.5	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	172.7	-60.6	-174.7	-174.2	177.5	0	110.8	A191 K192 I194 P195	K189-A191 PolarHBondContact O-N 3.2Å; K189-K192 VanDerWaalsContact CD-O 3.25Å; K189-K192 WeakPolarHBondContact CD-O 2.85Å; K189-K192 PolarHBondContact O-N 2.81Å; K189-I194 CarbonylContact C-O 3.51Å; K189-I194 WeakPolarHBondContact CA-O 3.42Å; K189-P195 HydrophobicContact CG-CB 4.28Å
190	T	67.4	Low	79.6	Confident	35 Å²	35	62.6 Å²	62.6	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	121.5	169.1	-51.5	0	0	0	0	109.2	K192 L193 I194	T190-K192 PolarHBondContact O-N 2.92Å; T190-K192 VanDerWaalsContact O-N 3.15Å; T190-L193 PolarHBondContact O-N 3.46Å; T190-I194 PolarHBondContact N-O 3.36Å; T190-I194 PolarHBondContact O-N 2.88Å; T190-I194 VanDerWaalsContact O-N 3.17Å
191	A	55.3	Low	79.6	Confident	93 Å²	93	59.1 Å²	59.1	77%	0.769	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	40.5	180	0	0	0	0	0	114.3	K189 L193	K189-A191 PolarHBondContact O-N 3.2Å; A191-L193 PolarHBondContact O-N 3.28Å
192	K	51.9	Low	79.6	Confident	190 Å²	190	56.4 Å²	56.4	83%	0.826	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-20.7	-175.6	-62.4	-177.6	177.9	179.1	0	116.9	K189 T190	K189-K192 VanDerWaalsContact CD-O 3.25Å; K189-K192 WeakPolarHBondContact CD-O 2.85Å; K189-K192 PolarHBondContact O-N 2.81Å; T190-K192 PolarHBondContact O-N 2.92Å; T190-K192 VanDerWaalsContact O-N 3.15Å
193	L	48	Very low	79.3	Confident	141 Å²	141	63 Å²	63	74%	0.738	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-33.2	-169.7	-167.9	64.2	0	0	0	114.4	T190 A191	T190-L193 PolarHBondContact O-N 3.46Å; A191-L193 PolarHBondContact O-N 3.28Å
194	I	64.1	Low	78.9	Confident	88 Å²	88	65.7 Å²	65.7	45%	0.451	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.7	-172.4	-54.5	-179.3	0	0	0	111.1	K189 T190 N196	K189-I194 CarbonylContact C-O 3.51Å; K189-I194 WeakPolarHBondContact CA-O 3.42Å; T190-I194 PolarHBondContact N-O 3.36Å; T190-I194 PolarHBondContact O-N 2.88Å; T190-I194 VanDerWaalsContact O-N 3.17Å; I194-N196 HydrophobicContact CG2-CB 3.93Å; I194-N196 PolarHBondContact O-N 2.92Å
195	P	59.1	Low	78.9	Confident	62 Å²	62	68.4 Å²	68.4	40%	0.403	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	48.2	-176.9	35.2	-37.7	0	0	0	113.5	K189 R215	K189-P195 HydrophobicContact CG-CB 4.28Å; P195-R215 WeakPolarHBondContact O-CD 3.43Å; P195-R215 PolarHBondContact O-NE 2.85Å; P195-R215 PolarHBondContact O-NH1 2.9Å; P195-R215 VanDerWaalsContact O-NH1 3.12Å
196	N	80.3	Confident	78.9	Confident	65 Å²	65	74.7 Å²	74.7	35%	0.348	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	27.8	-176.4	-69.9	-4.8	0	0	0	113.5	I194 T210 S211 F212	I194-N196 HydrophobicContact CG2-CB 3.93Å; I194-N196 PolarHBondContact O-N 2.92Å; N196-T210 CarbonylContact O-C 3.54Å; N196-S211 PolarHBondContact O-N 3.26Å; N196-F212 PolarHBondContact O-N 2.85Å
197	A	86.6	Confident	79.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150	178.3	0	0	0	0	0	113.3	E188 F208 F209 T210 R215	E188-A197 HydrophobicContact CB-CB 3.82Å; E188-A197 PolarHBondContact N-O 2.92Å; E188-A197 PolarHBondContact O-N 3.26Å; A197-F208 HydrophobicContact CB-CD1 4.47Å; A197-F208 HydrophobicContact CB-CE1 3.75Å; A197-F208 HydrophobicContact CB-CE2 4.39Å; A197-F208 HydrophobicContact CB-CZ 3.7Å; A197-F209 CarbonylContact C-O 3.56Å; A197-F209 WeakPolarHBondContact CA-O 3.44Å; A197-F209 WeakPolarHBondContact CB-O 3.24Å; A197-T210 HydrophobicContact CB-CG2 4.21Å; A197-R215 WeakPolarHBondContact O-CD 3.37Å
198	I	92.4	Very high	79.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.1	171.2	-56.9	175.7	0	0	0	106.3	M185 T186 I200 F209 F212 R215 F219 I222	M185-I198 HydrophobicContact CG-CG2 3.63Å; M185-I198 HydrophobicContact SD-CG2 3.59Å; M185-I198 VanDerWaalsContact SD-CG2 3.59Å; T186-I198 WeakPolarHBondContact O-CA 3.47Å; I198-I200 HydrophobicContact CG2-CG1 4.21Å; I198-F209 PolarHBondContact N-O 2.92Å; I198-F209 PolarHBondContact O-N 3.25Å; I198-F212 HydrophobicContact CB-CD2 4.47Å; I198-F212 HydrophobicContact CB-CE2 3.75Å; I198-F212 HydrophobicContact CB-CZ 4.28Å; I198-F212 HydrophobicContact CD1-CD2 4.07Å; I198-F212 HydrophobicContact CD1-CE1 4.29Å; I198-F212 HydrophobicContact CD1-CE2 3.77Å; I198-F212 HydrophobicContact CD1-CG 4.44Å; I198-F212 HydrophobicContact CD1-CZ 3.9Å; I198-F212 HydrophobicContact CG1-CD2 3.97Å; I198-F212 HydrophobicContact CG1-CE2 3.69Å; I198-F212 HydrophobicContact CG1-CZ 4.27Å; I198-R215 HydrophobicContact CD1-CG 4.08Å; I198-R215 HydrophobicContact CG1-CG 3.65Å; I198-F219 HydrophobicContact CD1-CB 3.86Å; I198-F219 HydrophobicContact CG1-CB 4.44Å; I198-F219 HydrophobicContact CG1-CD2 4.41Å; I198-F219 HydrophobicContact CG2-CD2 4.08Å; I198-I222 HydrophobicContact CD1-CD1 4.05Å
199	Q	92.3	Very high	79.7	Confident	43 Å²	43	67.5 Å²	67.5	20%	0.201	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.2	172.9	179.2	-177.9	-94.5	0	0	109.3	M185 T186 E188 H207 F208	M185-Q199 CarbonylContact C-O 3.59Å; M185-Q199 VanDerWaalsContact CA-O 3.28Å; M185-Q199 WeakPolarHBondContact CA-O 3.39Å; M185-Q199 WeakPolarHBondContact CG-O 3.44Å; T186-Q199 PolarHBondContact N-O 2.97Å; T186-Q199 PolarHBondContact O-N 2.71Å; T186-Q199 PolarHBondContact OG1-NE2 2.88Å; E188-Q199 HydrophobicContact CG-CB 3.65Å; Q199-H207 WeakPolarHBondContact CA-O 3.41Å; Q199-F208 HydrophobicContact CB-CD2 3.98Å; Q199-F208 HydrophobicContact CG-CD2 4.3Å
200	I	93.7	Very high	80.3	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.4	177	-56.1	-175.8	0	0	0	107.1	L162 V182 M185 I198 H207 F209 I222	L162-I200 HydrophobicContact CD1-CD1 3.4Å; L162-I200 VanDerWaalsContact CD1-CD1 3.4Å; L162-I200 HydrophobicContact CD2-CD1 3.96Å; L162-I200 HydrophobicContact CG-CD1 4.36Å; V182-I200 HydrophobicContact CB-CG2 4.36Å; V182-I200 HydrophobicContact CG1-CG2 3.74Å; V182-I200 HydrophobicContact CG2-CG2 3.69Å; M185-I200 HydrophobicContact CG-CG1 4.04Å; M185-I200 HydrophobicContact SD-CD1 4.27Å; M185-I200 HydrophobicContact SD-CG1 4.1Å; I198-I200 HydrophobicContact CG2-CG1 4.21Å; I200-H207 PolarHBondContact N-O 2.95Å; I200-H207 PolarHBondContact O-N 3.29Å; I200-F209 HydrophobicContact CD1-CD2 4.14Å; I200-F209 HydrophobicContact CD1-CE2 4.02Å; I200-F209 HydrophobicContact CG1-CD2 4.31Å; I200-F209 HydrophobicContact CG1-CE2 4.37Å; I200-I222 HydrophobicContact CD1-CG2 4.41Å
201	S	90.1	Very high	81.3	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.028	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.2	173.2	-41.7	0	0	0	0	109.4	T183 S184	T183-S201 PolarHBondContact N-O 2.83Å; T183-S201 PolarHBondContact OG1-O 2.95Å; S184-S201 PolarHBondContact O-N 2.77Å; S184-S201 VanDerWaalsContact OG-CB 3.29Å; S184-S201 WeakPolarHBondContact OG-CB 3.49Å; S184-S201 PolarHBondContact OG-OG 3.25Å; S184-S201 VanDerWaalsContact OG-OG 3.09Å
202	T	91.4	Very high	82.9	Confident	18 Å²	18	58.7 Å²	58.7	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-172.5	160.3	62.9	0	0	0	0	109.2	I177 D181 T183 S204 E205	I177-T202 HydrophobicContact CG1-CG2 4.41Å; I177-T202 HydrophobicContact CG2-CG2 3.75Å; D181-T202 WeakPolarHBondContact O-CA 3.5Å; D181-T202 WeakPolarHBondContact O-CB 3.35Å; T183-T202 PolarHBondContact OG1-O 3.04Å; T202-S204 PolarHBondContact O-N 3.4Å; T202-S204 PolarHBondContact OG1-N 3.48Å; T202-S204 PolarHBondContact OG1-OG 2.55Å; T202-S204 VanDerWaalsContact OG1-OG 3.06Å; T202-E205 PolarHBondContact N-O 3.06Å; T202-E205 PolarHBondContact OG1-N 2.91Å; T202-E205 PolarHBondContact OG1-O 3.22Å
203	D	85.2	Confident	84.4	Confident	146 Å²	146	53.7 Å²	53.7	78%	0.781	31%	0.309	S	S	*	.	S	Bend	trans	-67.7	-21.1	167.8	-70.2	-53.5	0	0	0	113.2	T183	T183-D203 WeakPolarHBondContact CG2-OD1 3.46Å
204	S	81.8	Confident	86.2	Confident	104 Å²	104	49.3 Å²	49.3	73%	0.727	29%	0.293	S	S	*	.	S	Bend	trans	-107.8	-41.6	-171.7	56.2	0	0	0	0	114.8	T202	T202-S204 PolarHBondContact O-N 3.4Å; T202-S204 PolarHBondContact OG1-N 3.48Å; T202-S204 PolarHBondContact OG1-OG 2.55Å; T202-S204 VanDerWaalsContact OG1-OG 3.06Å
205	E	88.9	Confident	87.4	Confident	98 Å²	98	47.2 Å²	47.2	46%	0.458	28%	0.28	S	S	.	.			trans	-138.1	162.4	-172.1	-78.2	-170.6	-140.7	0	0	112	K147 T202 H207	K147-E205 IonicContact NZ-OE2 3.83Å; T202-E205 PolarHBondContact N-O 3.06Å; T202-E205 PolarHBondContact OG1-N 2.91Å; T202-E205 PolarHBondContact OG1-O 3.22Å; E205-H207 IonicContact OE2-CE1 3.89Å; E205-H207 PolarHBondContact OE2-CE1 3.26Å; E205-H207 VanDerWaalsContact OE2-CE1 3.25Å; E205-H207 IonicContact OE2-ND1 3.68Å
206	K	89.6	Confident	88.7	Confident	149 Å²	149	47.5 Å²	47.5	65%	0.648	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.9	170.5	-68.1	-172.6	175	-178.7	0	109.6
207	H	92.3	Very high	89.1	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.6	-177	-54	-62	0	0	0	109.7	L145 I177 Q199 I200 E205 F209	L145-H207 HydrophobicContact CD1-CB 4.26Å; I177-H207 WeakPolarHBondContact CD1-CD2 3.45Å; Q199-H207 WeakPolarHBondContact CA-O 3.41Å; I200-H207 PolarHBondContact N-O 2.95Å; I200-H207 PolarHBondContact O-N 3.29Å; E205-H207 IonicContact OE2-CE1 3.89Å; E205-H207 PolarHBondContact OE2-CE1 3.26Å; E205-H207 VanDerWaalsContact OE2-CE1 3.25Å; E205-H207 IonicContact OE2-ND1 3.68Å; H207-F209 HydrophobicContact CB-CD2 4.27Å; H207-F209 HydrophobicContact CB-CE2 3.56Å; H207-F209 HydrophobicContact CB-CZ 3.93Å
208	F	91.8	Very high	89.4	Confident	42 Å²	42	53.6 Å²	53.6	18%	0.184	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	96.8	-177.3	-167.7	-88.9	0	0	0	109.3	Q146 E188 A197 Q199 T210	Q146-F208 HydrophobicContact CB-CB 4.23Å; Q146-F208 HydrophobicContact CB-CD1 3.81Å; Q146-F208 HydrophobicContact CB-CG 4.48Å; Q146-F208 WeakPolarHBondContact CB-O 3.4Å; Q146-F208 HydrophobicContact CG-CD1 4.3Å; Q146-F208 PolarHBondContact N-O 3.4Å; E188-F208 HydrophobicContact CB-CD2 4.43Å; E188-F208 HydrophobicContact CB-CE2 3.51Å; E188-F208 HydrophobicContact CB-CZ 3.87Å; E188-F208 HydrophobicContact CG-CD2 4.32Å; E188-F208 HydrophobicContact CG-CE2 3.7Å; A197-F208 HydrophobicContact CB-CD1 4.47Å; A197-F208 HydrophobicContact CB-CE1 3.75Å; A197-F208 HydrophobicContact CB-CE2 4.39Å; A197-F208 HydrophobicContact CB-CZ 3.7Å; Q199-F208 HydrophobicContact CB-CD2 3.98Å; Q199-F208 HydrophobicContact CG-CD2 4.3Å; F208-T210 HydrophobicContact CD1-CG2 3.41Å; F208-T210 VanDerWaalsContact CD1-CG2 3.41Å; F208-T210 HydrophobicContact CE1-CG2 3.44Å; F208-T210 VanDerWaalsContact CE1-CG2 3.44Å
209	F	93.6	Very high	89.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136	177.9	-60.8	-80.8	0	0	0	109.8	L145 L155 L162 F164 A197 I198 I200 H207 F212	L145-F209 HydrophobicContact CB-CD1 4.2Å; L145-F209 HydrophobicContact CB-CE1 4.26Å; L145-F209 HydrophobicContact CD1-CD1 4.02Å; L145-F209 HydrophobicContact CD1-CE1 3.81Å; L145-F209 HydrophobicContact CD1-CZ 4.23Å; L155-F209 HydrophobicContact CD1-CE1 4.09Å; L155-F209 HydrophobicContact CD1-CZ 4.12Å; L162-F209 HydrophobicContact CD2-CE2 4.36Å; L162-F209 HydrophobicContact CD2-CZ 4.43Å; F164-F209 HydrophobicContact CB-CE1 3.81Å; F164-F209 HydrophobicContact CB-CZ 4.3Å; F164-F209 HydrophobicContact CD1-CE1 4.4Å; F164-F209 HydrophobicContact CD2-CD1 4.18Å; F164-F209 AromaticContact CD2-CE1 3.83Å; F164-F209 HydrophobicContact CD2-CE1 3.83Å; F164-F209 AromaticContact CG-CE1 3.75Å; F164-F209 HydrophobicContact CG-CE1 3.75Å; A197-F209 CarbonylContact C-O 3.56Å; A197-F209 WeakPolarHBondContact CA-O 3.44Å; A197-F209 WeakPolarHBondContact CB-O 3.24Å; I198-F209 PolarHBondContact N-O 2.92Å; I198-F209 PolarHBondContact O-N 3.25Å; I200-F209 HydrophobicContact CD1-CD2 4.14Å; I200-F209 HydrophobicContact CD1-CE2 4.02Å; I200-F209 HydrophobicContact CG1-CD2 4.31Å; I200-F209 HydrophobicContact CG1-CE2 4.37Å; H207-F209 HydrophobicContact CB-CD2 4.27Å; H207-F209 HydrophobicContact CB-CE2 3.56Å; H207-F209 HydrophobicContact CB-CZ 3.93Å; F209-F212 HydrophobicContact CB-CE2 3.48Å; F209-F212 VanDerWaalsContact CB-CE2 3.48Å; F209-F212 HydrophobicContact CB-CZ 3.59Å; F209-F212 HydrophobicContact CG-CZ 4.47Å; F209-F212 WeakPolarHBondContact O-CE2 3.42Å
210	T	90.8	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	176.7	-171.8	73.6	0	0	0	0	111.6	C143 A144 Q146 L150 N196 A197 F208 F212	C143-T210 CarbonylContact C-O 3.54Å; C143-T210 WeakPolarHBondContact CA-O 3.35Å; C143-T210 VanDerWaalsContact CB-O 3.27Å; C143-T210 WeakPolarHBondContact CB-O 3.14Å; A144-T210 PolarHBondContact N-O 3.34Å; A144-T210 PolarHBondContact O-N 3.41Å; A144-T210 PolarHBondContact O-OG1 2.94Å; Q146-T210 HydrophobicContact CB-CG2 4.28Å; L150-T210 HydrophobicContact CD2-CG2 4.4Å; N196-T210 CarbonylContact O-C 3.54Å; A197-T210 HydrophobicContact CB-CG2 4.21Å; F208-T210 HydrophobicContact CD1-CG2 3.41Å; F208-T210 VanDerWaalsContact CD1-CG2 3.41Å; F208-T210 HydrophobicContact CE1-CG2 3.44Å; F208-T210 VanDerWaalsContact CE1-CG2 3.44Å; T210-F212 PolarHBondContact O-N 3.45Å
211	S	88.3	Confident	89.3	Confident	70 Å²	70	59 Å²	59	49%	0.49	32%	0.321	S	S	.	.			trans	63.4	23.2	169.7	-47.1	0	0	0	0	114.1	N196 G213	N196-S211 PolarHBondContact O-N 3.26Å; S211-G213 PolarHBondContact O-N 3.45Å
212	F	89.1	Confident	89.5	Confident	1 Å²	1	59 Å²	59	0%	0.004	32%	0.321	C	S	.	.			trans	-64.5	121.7	173.7	-71	-83.1	0	0	0	110.5	C143 L155 N196 I198 F209 T210 A214 R215	C143-F212 HydrophobicContact CB-CD1 3.96Å; C143-F212 HydrophobicContact CB-CD2 4.48Å; C143-F212 HydrophobicContact CB-CE1 3.78Å; C143-F212 HydrophobicContact CB-CE2 4.34Å; C143-F212 HydrophobicContact CB-CG 4.31Å; C143-F212 HydrophobicContact CB-CZ 3.99Å; L155-F212 HydrophobicContact CD2-CE1 4.02Å; L155-F212 HydrophobicContact CD2-CZ 4.05Å; N196-F212 PolarHBondContact O-N 2.85Å; I198-F212 HydrophobicContact CB-CD2 4.47Å; I198-F212 HydrophobicContact CB-CE2 3.75Å; I198-F212 HydrophobicContact CB-CZ 4.28Å; I198-F212 HydrophobicContact CD1-CD2 4.07Å; I198-F212 HydrophobicContact CD1-CE1 4.29Å; I198-F212 HydrophobicContact CD1-CE2 3.77Å; I198-F212 HydrophobicContact CD1-CG 4.44Å; I198-F212 HydrophobicContact CD1-CZ 3.9Å; I198-F212 HydrophobicContact CG1-CD2 3.97Å; I198-F212 HydrophobicContact CG1-CE2 3.69Å; I198-F212 HydrophobicContact CG1-CZ 4.27Å; F209-F212 HydrophobicContact CB-CE2 3.48Å; F209-F212 VanDerWaalsContact CB-CE2 3.48Å; F209-F212 HydrophobicContact CB-CZ 3.59Å; F209-F212 HydrophobicContact CG-CZ 4.47Å; F209-F212 WeakPolarHBondContact O-CE2 3.42Å; T210-F212 PolarHBondContact O-N 3.45Å; F212-A214 PolarHBondContact O-N 3.47Å; F212-R215 HydrophobicContact CB-CB 4.12Å
213	G	82.3	Confident	89.5	Confident	84 Å²	84	61.5 Å²	61.5	87%	0.866	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.4	177	0	0	0	0	0	114.7	S211	S211-G213 PolarHBondContact O-N 3.45Å
214	A	86.2	Confident	89.8	Confident	49 Å²	49	58.5 Å²	58.5	41%	0.405	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	60.9	175.7	0	0	0	0	0	111	F212 E216 R217 S218	F212-A214 PolarHBondContact O-N 3.47Å; A214-E216 PolarHBondContact O-N 3.39Å; A214-R217 HydrophobicContact CB-CB 4.42Å; A214-R217 PolarHBondContact O-N 3.19Å; A214-R217 VanDerWaalsContact O-N 3.12Å; A214-S218 PolarHBondContact O-N 3.26Å; A214-S218 PolarHBondContact O-OG 3.19Å
215	R	89.8	Confident	90.3	Very high	44 Å²	44	53.7 Å²	53.7	17%	0.166	27%	0.274	C	S	.	.	H	α-helix	trans	-42.8	-48.4	-173.5	-171.3	-150.3	58.8	-171.7	1.9	113.2	P195 A197 I198 F212 R217 S218 F219	P195-R215 WeakPolarHBondContact O-CD 3.43Å; P195-R215 PolarHBondContact O-NE 2.85Å; P195-R215 PolarHBondContact O-NH1 2.9Å; P195-R215 VanDerWaalsContact O-NH1 3.12Å; A197-R215 WeakPolarHBondContact O-CD 3.37Å; I198-R215 HydrophobicContact CD1-CG 4.08Å; I198-R215 HydrophobicContact CG1-CG 3.65Å; F212-R215 HydrophobicContact CB-CB 4.12Å; R215-R217 PolarHBondContact O-N 3.4Å; R215-S218 PolarHBondContact O-N 3.3Å; R215-F219 WeakPolarHBondContact O-CB 3.37Å; R215-F219 PolarHBondContact O-N 2.97Å
216	E	87.4	Confident	90.5	Very high	69 Å²	69	50.5 Å²	50.5	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-44.8	-173	-153.9	61.3	-159.3	0	0	112.8	K187 A214 F219 M220	K187-E216 WeakPolarHBondContact CE-OE1 3.35Å; K187-E216 IonicContact NZ-OE1 3.4Å; K187-E216 PolarHBondContact NZ-OE1 2.92Å; A214-E216 PolarHBondContact O-N 3.39Å; E216-F219 PolarHBondContact O-N 3.33Å; E216-M220 HydrophobicContact CG-CE 4.15Å; E216-M220 VanDerWaalsContact O-CG 3.3Å; E216-M220 WeakPolarHBondContact O-CG 3.32Å; E216-M220 PolarHBondContact O-N 3.44Å
217	R	88.2	Confident	90.5	Very high	188 Å²	188	47.2 Å²	47.2	71%	0.709	25%	0.245	S	C	*	.	H	α-helix	trans	-65.6	-41	174.7	-177.9	179.1	-72.5	163.2	-3.3	111.5	A214 R215 M220 M221	A214-R217 HydrophobicContact CB-CB 4.42Å; A214-R217 PolarHBondContact O-N 3.19Å; A214-R217 VanDerWaalsContact O-N 3.12Å; R215-R217 PolarHBondContact O-N 3.4Å; R217-M220 PolarHBondContact O-N 3.47Å; R217-M221 PolarHBondContact O-N 2.92Å
218	S	92.5	Very high	90.4	Very high	4 Å²	4	48 Å²	48	3%	0.028	25%	0.25	C	C	.	.	H	α-helix	trans	-61.7	-46	175.8	-59.4	0	0	0	0	111.5	A214 R215 M221 I222	A214-S218 PolarHBondContact O-N 3.26Å; A214-S218 PolarHBondContact O-OG 3.19Å; R215-S218 PolarHBondContact O-N 3.3Å; S218-M221 PolarHBondContact O-N 3.22Å; S218-I222 WeakPolarHBondContact O-CD1 3.25Å; S218-I222 WeakPolarHBondContact O-CG1 3.4Å; S218-I222 PolarHBondContact O-N 2.88Å
219	F	93.1	Very high	90.2	Very high	18 Å²	18	46.2 Å²	46.2	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-49	176.1	-177.5	-79	0	0	0	111.2	M185 K187 I198 R215 E216 M221 I222 F223	M185-F219 HydrophobicContact CB-CE2 4.5Å; M185-F219 HydrophobicContact CE-CD1 4.4Å; M185-F219 HydrophobicContact CE-CD2 3.92Å; M185-F219 HydrophobicContact CE-CE1 4.22Å; M185-F219 HydrophobicContact CE-CE2 3.74Å; M185-F219 HydrophobicContact CE-CG 4.26Å; M185-F219 HydrophobicContact CE-CZ 3.9Å; M185-F219 HydrophobicContact CG-CD2 4.2Å; M185-F219 HydrophobicContact CG-CE2 3.75Å; M185-F219 HydrophobicContact SD-CD2 4.17Å; M185-F219 HydrophobicContact SD-CE2 4.18Å; K187-F219 HydrophobicContact CD-CD1 4.38Å; K187-F219 HydrophobicContact CD-CD2 4.33Å; K187-F219 HydrophobicContact CD-CE1 4.45Å; K187-F219 HydrophobicContact CD-CE2 4.37Å; K187-F219 HydrophobicContact CD-CG 4.33Å; K187-F219 HydrophobicContact CD-CZ 4.44Å; K187-F219 HydrophobicContact CG-CD1 4.31Å; K187-F219 HydrophobicContact CG-CD2 3.43Å; K187-F219 VanDerWaalsContact CG-CD2 3.43Å; K187-F219 HydrophobicContact CG-CE1 4.35Å; K187-F219 HydrophobicContact CG-CE2 3.44Å; K187-F219 VanDerWaalsContact CG-CE2 3.44Å; K187-F219 HydrophobicContact CG-CG 3.89Å; K187-F219 HydrophobicContact CG-CZ 3.93Å; I198-F219 HydrophobicContact CD1-CB 3.86Å; I198-F219 HydrophobicContact CG1-CB 4.44Å; I198-F219 HydrophobicContact CG1-CD2 4.41Å; I198-F219 HydrophobicContact CG2-CD2 4.08Å; R215-F219 WeakPolarHBondContact O-CB 3.37Å; R215-F219 PolarHBondContact O-N 2.97Å; E216-F219 PolarHBondContact O-N 3.33Å; F219-M221 VanDerWaalsContact C-N 3.3Å; F219-M221 PolarHBondContact O-N 2.86Å; F219-I222 PolarHBondContact O-N 3.23Å; F219-F223 HydrophobicContact CD1-CB 4.26Å; F219-F223 HydrophobicContact CE1-CB 4.07Å; F219-F223 AromaticContact CE1-CD2 3.93Å; F219-F223 HydrophobicContact CE1-CD2 3.93Å; F219-F223 HydrophobicContact CE1-CG 4.11Å; F219-F223 HydrophobicContact CZ-CD2 4.12Å; F219-F223 WeakPolarHBondContact O-CB 3.43Å; F219-F223 PolarHBondContact O-N 3.19Å
220	M	91.5	Very high	89.9	Confident	117 Å²	117	48.3 Å²	48.3	58%	0.576	25%	0.254	S	S	*	.	H	α-helix	trans	-58.8	-40.5	179.7	-74	171.7	172.2	0	0	112.3	E216 R217 R224	E216-M220 HydrophobicContact CG-CE 4.15Å; E216-M220 VanDerWaalsContact O-CG 3.3Å; E216-M220 WeakPolarHBondContact O-CG 3.32Å; E216-M220 PolarHBondContact O-N 3.44Å; R217-M220 PolarHBondContact O-N 3.47Å; M220-R224 WeakPolarHBondContact O-CB 3.39Å; M220-R224 PolarHBondContact O-N 3.41Å
221	M	91.9	Very high	89.7	Confident	24 Å²	24	52.8 Å²	52.8	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-45.8	177.3	-171	60.7	74.6	0	0	112.4	V139 Y141 L157 R217 S218 F219 F223 R224 L225 I243	V139-M221 HydrophobicContact CG1-CG 4.06Å; Y141-M221 VanDerWaalsContact OH-CB 3.32Å; Y141-M221 WeakPolarHBondContact OH-CB 3.35Å; L157-M221 HydrophobicContact CD1-CG 4.49Å; R217-M221 PolarHBondContact O-N 2.92Å; S218-M221 PolarHBondContact O-N 3.22Å; F219-M221 VanDerWaalsContact C-N 3.3Å; F219-M221 PolarHBondContact O-N 2.86Å; M221-F223 VanDerWaalsContact C-N 3.27Å; M221-F223 PolarHBondContact O-N 2.82Å; M221-R224 PolarHBondContact O-N 2.95Å; M221-L225 HydrophobicContact CG-CD1 4.33Å; M221-L225 WeakPolarHBondContact O-CG 3.37Å; M221-L225 PolarHBondContact O-N 3.26Å; M221-I243 HydrophobicContact CE-CG2 3.65Å; M221-I243 HydrophobicContact SD-CG2 4.19Å
222	I	93.8	Very high	89.5	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-41	175.6	-62.1	160	0	0	0	110.1	L155 L157 L162 M185 I198 I200 S218 F219 L225 W226	L155-I222 HydrophobicContact CD2-CD1 4Å; L157-I222 HydrophobicContact CD1-CB 4.48Å; L157-I222 HydrophobicContact CD1-CG1 3.52Å; L157-I222 HydrophobicContact CD2-CG1 4.18Å; L157-I222 HydrophobicContact CG-CG1 4.5Å; L162-I222 HydrophobicContact CD1-CG1 4.38Å; L162-I222 HydrophobicContact CD1-CG2 3.7Å; M185-I222 HydrophobicContact CE-CB 4.07Å; M185-I222 HydrophobicContact CE-CG2 3.84Å; M185-I222 HydrophobicContact SD-CB 4Å; M185-I222 HydrophobicContact SD-CG2 3.44Å; M185-I222 WeakPolarHBondContact SD-CG2 3.45Å; I198-I222 HydrophobicContact CD1-CD1 4.05Å; I200-I222 HydrophobicContact CD1-CG2 4.41Å; S218-I222 WeakPolarHBondContact O-CD1 3.25Å; S218-I222 WeakPolarHBondContact O-CG1 3.4Å; S218-I222 PolarHBondContact O-N 2.88Å; F219-I222 PolarHBondContact O-N 3.23Å; I222-L225 PolarHBondContact O-N 3.47Å; I222-W226 VanDerWaalsContact O-CB 3.26Å; I222-W226 WeakPolarHBondContact O-CB 3.25Å; I222-W226 PolarHBondContact O-N 2.94Å
223	F	92.4	Very high	89.2	Confident	72 Å²	72	60.4 Å²	60.4	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-66.7	-43.1	179.8	-169.5	-97.5	0	0	0	111.7	M185 F219 M221 W226 Q227	M185-F223 HydrophobicContact CE-CB 3.66Å; M185-F223 HydrophobicContact CE-CD2 3.93Å; M185-F223 HydrophobicContact CE-CG 4.31Å; F219-F223 HydrophobicContact CD1-CB 4.26Å; F219-F223 HydrophobicContact CE1-CB 4.07Å; F219-F223 AromaticContact CE1-CD2 3.93Å; F219-F223 HydrophobicContact CE1-CD2 3.93Å; F219-F223 HydrophobicContact CE1-CG 4.11Å; F219-F223 HydrophobicContact CZ-CD2 4.12Å; F219-F223 WeakPolarHBondContact O-CB 3.43Å; F219-F223 PolarHBondContact O-N 3.19Å; M221-F223 VanDerWaalsContact C-N 3.27Å; M221-F223 PolarHBondContact O-N 2.82Å; F223-W226 AromaticContact CD2-CE3 3.77Å; F223-W226 HydrophobicContact CD2-CE3 3.77Å; F223-W226 AromaticContact CD2-CZ3 3.96Å; F223-W226 HydrophobicContact CD2-CZ3 3.96Å; F223-W226 AromaticContact CE2-CE3 3.99Å; F223-W226 HydrophobicContact CE2-CE3 3.99Å; F223-W226 AromaticContact CE2-CZ3 3.79Å; F223-W226 HydrophobicContact CE2-CZ3 3.79Å; F223-W226 PolarHBondContact O-N 3.23Å; F223-Q227 HydrophobicContact CD1-CG 4.17Å; F223-Q227 HydrophobicContact CE1-CG 3.99Å; F223-Q227 VanDerWaalsContact CE1-OE1 3.3Å; F223-Q227 HydrophobicContact CZ-CG 4.37Å; F223-Q227 WeakPolarHBondContact O-CB 3.33Å; F223-Q227 WeakPolarHBondContact O-CG 3.42Å; F223-Q227 PolarHBondContact O-N 2.82Å
224	R	91.4	Very high	89.2	Confident	83 Å²	83	60.9 Å²	60.9	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-47.3	173.6	-180	-179.8	175.3	-178.3	-1.2	111.6	M220 M221 Q227 N228 E239	M220-R224 WeakPolarHBondContact O-CB 3.39Å; M220-R224 PolarHBondContact O-N 3.41Å; M221-R224 PolarHBondContact O-N 2.95Å; R224-Q227 PolarHBondContact O-N 3.49Å; R224-N228 WeakPolarHBondContact O-CB 3.23Å; R224-N228 PolarHBondContact O-N 3.26Å; R224-E239 IonicContact NH2-OE1 3.45Å; R224-E239 PolarHBondContact NH2-OE1 2.95Å
225	L	92	Very high	89.2	Confident	2 Å²	2	59 Å²	59	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-39.5	179.3	-65.5	174.1	0	0	0	111.6	I138 L157 L179 M221 I222 N228 A229 L235	I138-L225 HydrophobicContact CD1-CD1 4.1Å; I138-L225 HydrophobicContact CD1-CD2 3.71Å; L157-L225 HydrophobicContact CB-CD1 3.91Å; L157-L225 HydrophobicContact CD1-CD1 4Å; L179-L225 HydrophobicContact CD1-CB 3.83Å; M221-L225 HydrophobicContact CG-CD1 4.33Å; M221-L225 WeakPolarHBondContact O-CG 3.37Å; M221-L225 PolarHBondContact O-N 3.26Å; I222-L225 PolarHBondContact O-N 3.47Å; L225-N228 PolarHBondContact O-N 2.88Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.12Å; L225-L235 HydrophobicContact CD2-CD1 4.04Å
226	W	92.9	Very high	88.9	Confident	31 Å²	31	59.1 Å²	59.1	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-49.4	173.4	179.1	38.2	0	0	0	112.4	L179 V182 M185 I222 F223 N228 A229 L230	L179-W226 HydrophobicContact CD2-CB 4.42Å; L179-W226 PolarHBondContact O-NE1 2.97Å; V182-W226 HydrophobicContact CG1-CD2 4.22Å; V182-W226 HydrophobicContact CG1-CZ2 4.04Å; V182-W226 VanDerWaalsContact O-CZ2 3.31Å; V182-W226 WeakPolarHBondContact O-CZ2 3.43Å; V182-W226 PolarHBondContact O-NE1 3.15Å; M185-W226 HydrophobicContact CB-CZ3 4.36Å; I222-W226 VanDerWaalsContact O-CB 3.26Å; I222-W226 WeakPolarHBondContact O-CB 3.25Å; I222-W226 PolarHBondContact O-N 2.94Å; F223-W226 AromaticContact CD2-CE3 3.77Å; F223-W226 HydrophobicContact CD2-CE3 3.77Å; F223-W226 AromaticContact CD2-CZ3 3.96Å; F223-W226 HydrophobicContact CD2-CZ3 3.96Å; F223-W226 AromaticContact CE2-CE3 3.99Å; F223-W226 HydrophobicContact CE2-CE3 3.99Å; F223-W226 AromaticContact CE2-CZ3 3.79Å; F223-W226 HydrophobicContact CE2-CZ3 3.79Å; F223-W226 PolarHBondContact O-N 3.23Å; W226-N228 VanDerWaalsContact C-N 3.34Å; W226-N228 PolarHBondContact O-N 3.47Å; W226-A229 PolarHBondContact O-N 3.17Å; W226-L230 HydrophobicContact CD2-CD1 4.28Å; W226-L230 HydrophobicContact CG-CD1 4.43Å; W226-L230 HydrophobicContact CZ2-CD1 4.05Å; W226-L230 WeakPolarHBondContact O-CG 3.48Å; W226-L230 PolarHBondContact O-N 3.38Å
227	Q	89.4	Confident	88.7	Confident	80 Å²	80	59.7 Å²	59.7	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175.3	-73.7	-176.6	-55.5	0	0	112	F223 R224 L230 L231	F223-Q227 HydrophobicContact CD1-CG 4.17Å; F223-Q227 HydrophobicContact CE1-CG 3.99Å; F223-Q227 VanDerWaalsContact CE1-OE1 3.3Å; F223-Q227 HydrophobicContact CZ-CG 4.37Å; F223-Q227 WeakPolarHBondContact O-CB 3.33Å; F223-Q227 WeakPolarHBondContact O-CG 3.42Å; F223-Q227 PolarHBondContact O-N 2.82Å; R224-Q227 PolarHBondContact O-N 3.49Å; Q227-L230 PolarHBondContact O-N 3.17Å; Q227-L231 WeakPolarHBondContact O-CB 3.3Å; Q227-L231 WeakPolarHBondContact O-CG 3.32Å; Q227-L231 PolarHBondContact O-N 3.02Å
228	N	89.1	Confident	88.3	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-46.7	175.3	-88	15.7	0	0	0	111.7	R224 L225 W226 L230 L231 D232 K233 L235	R224-N228 WeakPolarHBondContact O-CB 3.23Å; R224-N228 PolarHBondContact O-N 3.26Å; L225-N228 PolarHBondContact O-N 2.88Å; W226-N228 VanDerWaalsContact C-N 3.34Å; W226-N228 PolarHBondContact O-N 3.47Å; N228-L230 PolarHBondContact O-N 3.42Å; N228-L231 CarbonylContact O-C 3.44Å; N228-L231 PolarHBondContact O-N 2.85Å; N228-D232 PolarHBondContact O-N 3.37Å; N228-D232 VanDerWaalsContact O-N 3.12Å; N228-K233 HydrophobicContact CB-CB 4.39Å; N228-K233 WeakPolarHBondContact CB-O 3.39Å; N228-K233 PolarHBondContact O-N 2.96Å; N228-L235 WeakPolarHBondContact ND2-CD2 3.4Å
229	A	88.8	Confident	87.9	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.3	0	0	0	0	0	113.1	L179 K180 L225 W226 L231 D232	L179-A229 HydrophobicContact CB-CB 3.64Å; L179-A229 HydrophobicContact CD1-CB 4.47Å; K180-A229 WeakPolarHBondContact CE-O 3.36Å; K180-A229 HydrophobicContact CG-CB 4.06Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.12Å; W226-A229 PolarHBondContact O-N 3.17Å; A229-L231 VanDerWaalsContact C-N 3.33Å; A229-D232 PolarHBondContact O-N 2.89Å
230	L	87	Confident	87.7	Confident	44 Å²	44	61.1 Å²	61.1	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-72.1	-22.4	175.2	-71.8	-180	0	0	0	114.1	W226 Q227 N228	W226-L230 HydrophobicContact CD2-CD1 4.28Å; W226-L230 HydrophobicContact CG-CD1 4.43Å; W226-L230 HydrophobicContact CZ2-CD1 4.05Å; W226-L230 WeakPolarHBondContact O-CG 3.48Å; W226-L230 PolarHBondContact O-N 3.38Å; Q227-L230 PolarHBondContact O-N 3.17Å; N228-L230 PolarHBondContact O-N 3.42Å
231	L	86.9	Confident	87.3	Confident	94 Å²	94	55.8 Å²	55.8	49%	0.492	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.7	178.1	-67.3	173.6	0	0	0	113.2	Q227 N228 A229 K233	Q227-L231 WeakPolarHBondContact O-CB 3.3Å; Q227-L231 WeakPolarHBondContact O-CG 3.32Å; Q227-L231 PolarHBondContact O-N 3.02Å; N228-L231 CarbonylContact O-C 3.44Å; N228-L231 PolarHBondContact O-N 2.85Å; A229-L231 VanDerWaalsContact C-N 3.33Å; L231-K233 HydrophobicContact CB-CD 4.02Å; L231-K233 HydrophobicContact CB-CG 3.92Å; L231-K233 HydrophobicContact CD1-CD 4.18Å; L231-K233 PolarHBondContact O-N 3.3Å
232	D	83.3	Confident	86.9	Confident	105 Å²	105	60.7 Å²	60.7	56%	0.561	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.7	-173.3	-58.8	-63	0	0	0	113.5	R16 K180 N228 A229	R16-D232 IonicContact NH2-OD2 2.98Å; K180-D232 IonicContact NZ-OD1 3.62Å; K180-D232 PolarHBondContact NZ-OD1 2.93Å; N228-D232 PolarHBondContact O-N 3.37Å; N228-D232 VanDerWaalsContact O-N 3.12Å; A229-D232 PolarHBondContact O-N 2.89Å
233	K	83.1	Confident	86.6	Confident	125 Å²	125	60.7 Å²	60.7	54%	0.543	31%	0.305	S	S	.	.			trans	-95.4	95.7	178.4	-67.6	-179.7	179.2	-177.3	0	110.9	N228 L231	N228-K233 HydrophobicContact CB-CB 4.39Å; N228-K233 WeakPolarHBondContact CB-O 3.39Å; N228-K233 PolarHBondContact O-N 2.96Å; L231-K233 HydrophobicContact CB-CD 4.02Å; L231-K233 HydrophobicContact CB-CG 3.92Å; L231-K233 HydrophobicContact CD1-CD 4.18Å; L231-K233 PolarHBondContact O-N 3.3Å
234	S	83.3	Confident	86.3	Confident	94 Å²	94	57.3 Å²	57.3	66%	0.657	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-60	148	164.4	57	0	0	0	0	110.7
235	L	84.5	Confident	85.8	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.058	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70	148.2	169.1	-68.7	173.1	0	0	0	109.7	I138 L225 N228 E239 I243	I138-L235 HydrophobicContact CD1-CD1 3.77Å; L225-L235 HydrophobicContact CD2-CD1 4.04Å; N228-L235 WeakPolarHBondContact ND2-CD2 3.4Å; L235-E239 HydrophobicContact CD2-CB 4.3Å; L235-I243 HydrophobicContact CD1-CD1 4.1Å; L235-I243 HydrophobicContact CD2-CD1 4.4Å
236	S	84.8	Confident	85.3	Confident	46 Å²	46	61.3 Å²	61.3	32%	0.322	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-72.8	149.7	163.2	66.6	0	0	0	0	110	K238 E239 L240	S236-K238 PolarHBondContact O-N 3.03Å; S236-K238 VanDerWaalsContact O-N 3.09Å; S236-E239 WeakPolarHBondContact CB-OE2 3.49Å; S236-E239 PolarHBondContact N-OE2 2.82Å; S236-E239 PolarHBondContact O-N 2.87Å; S236-E239 WeakPolarHBondContact OG-CG 3.48Å; S236-E239 PolarHBondContact OG-N 2.76Å; S236-E239 PolarHBondContact OG-OE2 2.93Å; S236-L240 PolarHBondContact O-N 3.49Å
237	P	82.4	Confident	84.8	Confident	81 Å²	81	62.3 Å²	62.3	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-54.4	-32.5	176.2	-28.9	35.8	0	0	0	113.2	L240 W241	P237-L240 PolarHBondContact O-N 2.63Å; P237-W241 WeakPolarHBondContact O-CB 3.45Å; P237-W241 PolarHBondContact O-N 3.02Å
238	K	80.5	Confident	84.4	Confident	154 Å²	154	61.1 Å²	61.1	67%	0.67	32%	0.316	S	S	*	.	H	α-helix	trans	-64.3	-43.5	174.9	-67.1	-172.6	177.2	-175.1	0	112.5	S236 H242 V262	S236-K238 PolarHBondContact O-N 3.03Å; S236-K238 VanDerWaalsContact O-N 3.09Å; K238-H242 VanDerWaalsContact O-CB 3.32Å; K238-H242 WeakPolarHBondContact O-CB 3.42Å; K238-H242 PolarHBondContact O-N 3.27Å; K238-V262 HydrophobicContact CG-CG1 4.21Å
239	E	83.9	Confident	84	Confident	76 Å²	76	61.4 Å²	61.4	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-68.7	-41.9	175.6	-71.9	166.8	95.5	0	0	112	R224 L235 S236 H242 I243	R224-E239 IonicContact NH2-OE1 3.45Å; R224-E239 PolarHBondContact NH2-OE1 2.95Å; L235-E239 HydrophobicContact CD2-CB 4.3Å; S236-E239 WeakPolarHBondContact CB-OE2 3.49Å; S236-E239 PolarHBondContact N-OE2 2.82Å; S236-E239 PolarHBondContact O-N 2.87Å; S236-E239 WeakPolarHBondContact OG-CG 3.48Å; S236-E239 PolarHBondContact OG-N 2.76Å; S236-E239 PolarHBondContact OG-OE2 2.93Å; E239-H242 PolarHBondContact O-N 2.92Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.4Å; E239-I243 PolarHBondContact O-N 3.09Å
240	L	87.9	Confident	83.3	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-58	-50.9	176.2	-175.8	153	0	0	0	110.2	I138 E159 S236 P237 H242 I243 V244	I138-L240 HydrophobicContact CG1-CD1 4.37Å; I138-L240 HydrophobicContact CG1-CG 4.48Å; E159-L240 HydrophobicContact CG-CD1 4.38Å; E159-L240 WeakPolarHBondContact OE1-CD1 3.16Å; S236-L240 PolarHBondContact O-N 3.49Å; P237-L240 PolarHBondContact O-N 2.63Å; L240-H242 VanDerWaalsContact C-N 3.35Å; L240-H242 PolarHBondContact O-N 2.88Å; L240-I243 PolarHBondContact O-N 2.93Å; L240-V244 HydrophobicContact CD2-CG2 3.95Å; L240-V244 WeakPolarHBondContact O-CB 2.8Å; L240-V244 WeakPolarHBondContact O-CG2 3.41Å; L240-V244 PolarHBondContact O-N 2.9Å
241	W	85.1	Confident	82.7	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.015	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-35.3	178.4	-70.9	124.1	0	0	0	113.1	Y117 P237 V244 H245 L252 L254 D260 Y261	Y117-W241 HydrophobicContact CD1-CZ3 4.25Å; Y117-W241 AromaticContact CE1-CH2 3.92Å; Y117-W241 HydrophobicContact CE1-CH2 3.92Å; Y117-W241 AromaticContact CE1-CZ3 3.58Å; Y117-W241 HydrophobicContact CE1-CZ3 3.58Å; P237-W241 WeakPolarHBondContact O-CB 3.45Å; P237-W241 PolarHBondContact O-N 3.02Å; W241-V244 HydrophobicContact CE3-CB 4.14Å; W241-V244 HydrophobicContact CE3-CG1 4.02Å; W241-V244 HydrophobicContact CZ3-CG1 4.05Å; W241-V244 PolarHBondContact O-N 3.43Å; W241-H245 WeakPolarHBondContact O-CB 3.48Å; W241-H245 PolarHBondContact O-CD2 3.01Å; W241-H245 PolarHBondContact O-N 2.9Å; W241-L252 HydrophobicContact CE3-CD1 3.98Å; W241-L252 HydrophobicContact CZ3-CD1 3.96Å; W241-L254 HydrophobicContact CE3-CD1 4.34Å; W241-L254 HydrophobicContact CH2-CD1 3.44Å; W241-L254 VanDerWaalsContact CH2-CD1 3.44Å; W241-L254 HydrophobicContact CZ2-CD1 4.35Å; W241-L254 HydrophobicContact CZ3-CD1 3.45Å; W241-L254 VanDerWaalsContact CZ3-CD1 3.45Å; W241-D260 PolarHBondContact NE1-O 2.92Å; W241-Y261 AromaticContact CD2-CD2 3.88Å; W241-Y261 HydrophobicContact CD2-CD2 3.88Å; W241-Y261 HydrophobicContact CD2-CE2 4.43Å; W241-Y261 AromaticContact CE2-CD2 3.96Å; W241-Y261 AromaticContact CE3-CD2 3.99Å; W241-Y261 HydrophobicContact CE3-CD2 3.99Å; W241-Y261 HydrophobicContact CE3-CE2 4.32Å; W241-Y261 HydrophobicContact CG-CD2 4.42Å; W241-Y261 HydrophobicContact CH2-CD2 4.26Å; W241-Y261 HydrophobicContact CZ2-CD2 4.15Å; W241-Y261 HydrophobicContact CZ3-CD2 4.2Å
242	H	83.4	Confident	82.2	Confident	128 Å²	128	68.6 Å²	68.6	59%	0.593	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-44.9	172.6	-173.8	90.1	0	0	0	112	K238 E239 L240 H245 Q246	K238-H242 VanDerWaalsContact O-CB 3.32Å; K238-H242 WeakPolarHBondContact O-CB 3.42Å; K238-H242 PolarHBondContact O-N 3.27Å; E239-H242 PolarHBondContact O-N 2.92Å; L240-H242 VanDerWaalsContact C-N 3.35Å; L240-H242 PolarHBondContact O-N 2.88Å; H242-H245 PolarHBondContact O-N 2.89Å; H242-Q246 WeakPolarHBondContact O-CB 3.36Å; H242-Q246 PolarHBondContact O-N 3.35Å
243	I	86.3	Confident	81.6	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.7	-65.9	162.7	0	0	0	110.8	I138 M221 L235 E239 L240 Q246 C247	I138-I243 HydrophobicContact CG2-CB 4.31Å; I138-I243 HydrophobicContact CG2-CG2 3.48Å; I138-I243 VanDerWaalsContact CG2-CG2 3.48Å; M221-I243 HydrophobicContact CE-CG2 3.65Å; M221-I243 HydrophobicContact SD-CG2 4.19Å; L235-I243 HydrophobicContact CD1-CD1 4.1Å; L235-I243 HydrophobicContact CD2-CD1 4.4Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.4Å; E239-I243 PolarHBondContact O-N 3.09Å; L240-I243 PolarHBondContact O-N 2.93Å; I243-Q246 PolarHBondContact O-N 3.15Å; I243-C247 WeakPolarHBondContact O-CB 3.27Å; I243-C247 PolarHBondContact O-N 3.27Å; I243-C247 PolarHBondContact O-SG 3.49Å
244	V	86.9	Confident	81.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-45.7	176.7	168	0	0	0	0	110.9	Y117 L240 W241 Q246 C247 Y248 L252	Y117-V244 HydrophobicContact CD1-CG1 4.07Å; Y117-V244 HydrophobicContact CD2-CG1 3.64Å; Y117-V244 HydrophobicContact CE1-CG1 4.06Å; Y117-V244 HydrophobicContact CE2-CB 4.45Å; Y117-V244 HydrophobicContact CE2-CG1 3.6Å; Y117-V244 HydrophobicContact CE2-CG2 3.91Å; Y117-V244 HydrophobicContact CG-CG1 3.86Å; L240-V244 HydrophobicContact CD2-CG2 3.95Å; L240-V244 WeakPolarHBondContact O-CB 2.8Å; L240-V244 WeakPolarHBondContact O-CG2 3.41Å; L240-V244 PolarHBondContact O-N 2.9Å; W241-V244 HydrophobicContact CE3-CB 4.14Å; W241-V244 HydrophobicContact CE3-CG1 4.02Å; W241-V244 HydrophobicContact CZ3-CG1 4.05Å; W241-V244 PolarHBondContact O-N 3.43Å; V244-Q246 VanDerWaalsContact C-N 3.34Å; V244-Q246 PolarHBondContact O-N 2.82Å; V244-C247 PolarHBondContact O-N 2.9Å; V244-C247 VanDerWaalsContact O-N 3.14Å; V244-Y248 HydrophobicContact CG1-CD2 4.03Å; V244-Y248 WeakPolarHBondContact O-CD2 3.34Å; V244-Y248 PolarHBondContact O-N 3.49Å; V244-L252 HydrophobicContact CG1-CD1 3.73Å; V244-L252 HydrophobicContact CG1-CD2 3.73Å; V244-L252 HydrophobicContact CG1-CG 4.4Å
245	H	81.4	Confident	80.2	Confident	27 Å²	27	59.8 Å²	59.8	13%	0.125	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-37.8	174	-78.1	-55.6	0	0	0	112.9	W241 H242 C247 G249 L252 Y261	W241-H245 WeakPolarHBondContact O-CB 3.48Å; W241-H245 PolarHBondContact O-CD2 3.01Å; W241-H245 PolarHBondContact O-N 2.9Å; H242-H245 PolarHBondContact O-N 2.89Å; H245-C247 VanDerWaalsContact C-N 3.25Å; H245-C247 PolarHBondContact O-N 2.82Å; H245-G249 WeakPolarHBondContact CA-O 3.13Å; H245-G249 PolarHBondContact ND1-O 3.05Å; H245-G249 WeakPolarHBondContact O-CA 3.49Å; H245-G249 PolarHBondContact O-N 3.36Å; H245-L252 WeakPolarHBondContact CE1-CD1 3.28Å; H245-Y261 PolarHBondContact CE1-OH 3.19Å; H245-Y261 AromaticContact NE2-CE2 3.64Å; H245-Y261 AromaticContact NE2-CZ 3.92Å; H245-Y261 PolarHBondContact NE2-OH 2.93Å
246	Q	80.4	Confident	78.7	Confident	143 Å²	143	65.7 Å²	65.7	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-26.8	175	-166.4	179.5	38.6	0	0	112.8	H242 I243 V244	H242-Q246 WeakPolarHBondContact O-CB 3.36Å; H242-Q246 PolarHBondContact O-N 3.35Å; I243-Q246 PolarHBondContact O-N 3.15Å; V244-Q246 VanDerWaalsContact C-N 3.34Å; V244-Q246 PolarHBondContact O-N 2.82Å
247	C	82.4	Confident	77.2	Confident	51 Å²	51	70.1 Å²	70.1	35%	0.345	38%	0.384	S	S	.	.	H	α-helix	trans	-93.8	-33.3	-178.1	-65.1	0	0	0	0	114.2	V139 I243 V244 H245	V139-C247 HydrophobicContact CB-CB 4.47Å; V139-C247 HydrophobicContact CG2-CB 4.03Å; I243-C247 WeakPolarHBondContact O-CB 3.27Å; I243-C247 PolarHBondContact O-N 3.27Å; I243-C247 PolarHBondContact O-SG 3.49Å; V244-C247 PolarHBondContact O-N 2.9Å; V244-C247 VanDerWaalsContact O-N 3.14Å; H245-C247 VanDerWaalsContact C-N 3.25Å; H245-C247 PolarHBondContact O-N 2.82Å
248	Y	81.7	Confident	76.6	Confident	55 Å²	55	68 Å²	68	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-123.7	-3.8	-173.1	-57.2	-84.3	0	0	0	114.5	Y117 R120 L137 I138 V139 D140 V244	Y117-Y248 AromaticContact CD2-CD2 3.56Å; Y117-Y248 HydrophobicContact CD2-CD2 3.56Å; Y117-Y248 AromaticContact CD2-CE2 3.53Å; Y117-Y248 HydrophobicContact CD2-CE2 3.53Å; Y117-Y248 HydrophobicContact CD2-CG 4.1Å; Y117-Y248 HydrophobicContact CE2-CD2 4.26Å; Y117-Y248 AromaticContact CE2-CE2 3.93Å; Y117-Y248 HydrophobicContact CE2-CE2 3.93Å; Y117-Y248 HydrophobicContact CG-CD2 4.38Å; R120-Y248 HydrophobicContact CG-CE1 4.22Å; L137-Y248 WeakPolarHBondContact CD2-OH 3.4Å; I138-Y248 WeakPolarHBondContact O-CE2 3.5Å; V139-Y248 WeakPolarHBondContact CA-OH 3.17Å; D140-Y248 PolarHBondContact N-OH 2.89Å; D140-Y248 VanDerWaalsContact N-OH 3.11Å; V244-Y248 HydrophobicContact CG1-CD2 4.03Å; V244-Y248 WeakPolarHBondContact O-CD2 3.34Å; V244-Y248 PolarHBondContact O-N 3.49Å
249	G	79.8	Confident	75.4	Confident	34 Å²	34	68.2 Å²	68.2	35%	0.351	38%	0.377	S	S	.	.			trans	86.5	-166.9	-179.7	0	0	0	0	0	114.4	H245 L252	H245-G249 WeakPolarHBondContact CA-O 3.13Å; H245-G249 PolarHBondContact ND1-O 3.05Å; H245-G249 WeakPolarHBondContact O-CA 3.49Å; H245-G249 PolarHBondContact O-N 3.36Å; G249-L252 VanDerWaalsContact O-CD2 3.27Å; G249-L252 WeakPolarHBondContact O-CD2 3.32Å
250	T	73.9	Confident	74.6	Confident	117 Å²	117	69.4 Å²	69.4	72%	0.718	39%	0.386	S	S	*	.	S	Bend	trans	-80.7	-30.6	-179.8	44.5	0	0	0	0	113.2	L252	T250-L252 VanDerWaalsContact C-N 3.27Å; T250-L252 PolarHBondContact O-N 3.03Å
251	E	75.4	Confident	73.9	Confident	172 Å²	172	72.5 Å²	72.5	80%	0.804	40%	0.397	S	S	*	.			trans	-83	59.8	-176.6	-63.7	-174.8	-172.7	0	0	112.8	G253	E251-G253 PolarHBondContact O-N 3.28Å; E251-G253 VanDerWaalsContact O-N 3.12Å
252	L	76.6	Confident	73.1	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	41%	0.413	C	S	.	.			trans	-66	-14.3	-176.6	-60.7	-175.3	0	0	0	114.4	Y117 K118 W241 V244 H245 G249 T250 L254 Y261	Y117-L252 WeakPolarHBondContact CB-O 3.45Å; Y117-L252 HydrophobicContact CD1-CB 4.23Å; Y117-L252 HydrophobicContact CG-CB 4.48Å; Y117-L252 HydrophobicContact CG-CD2 4.12Å; Y117-L252 PolarHBondContact N-O 3.2Å; K118-L252 PolarHBondContact N-O 2.91Å; W241-L252 HydrophobicContact CE3-CD1 3.98Å; W241-L252 HydrophobicContact CZ3-CD1 3.96Å; V244-L252 HydrophobicContact CG1-CD1 3.73Å; V244-L252 HydrophobicContact CG1-CD2 3.73Å; V244-L252 HydrophobicContact CG1-CG 4.4Å; H245-L252 WeakPolarHBondContact CE1-CD1 3.28Å; G249-L252 VanDerWaalsContact O-CD2 3.27Å; G249-L252 WeakPolarHBondContact O-CD2 3.32Å; T250-L252 VanDerWaalsContact C-N 3.27Å; T250-L252 PolarHBondContact O-N 3.03Å; L252-L254 VanDerWaalsContact C-N 3.27Å; L252-L254 HydrophobicContact CB-CD1 3.87Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 3.83Å; L252-L254 PolarHBondContact O-N 2.78Å; L252-Y261 HydrophobicContact CD1-CE2 4.07Å
253	G	69.9	Low	71.8	Confident	42 Å²	42	72 Å²	72	43%	0.433	41%	0.406	S	S	.	.			trans	74.5	14.7	-176.3	0	0	0	0	0	114.3	K118 E251	K118-G253 WeakPolarHBondContact CD-O 3.29Å; E251-G253 PolarHBondContact O-N 3.28Å; E251-G253 VanDerWaalsContact O-N 3.12Å
254	L	72.9	Confident	70.3	Confident	34 Å²	34	76.3 Å²	76.3	18%	0.178	43%	0.434	C	S	.	.			trans	-79.8	154.8	176.3	-58.6	170.6	0	0	0	111	Y117 K118 W241 L252 D258 Y261	Y117-L254 HydrophobicContact CD1-CD1 4.37Å; Y117-L254 HydrophobicContact CD1-CD2 4.3Å; Y117-L254 HydrophobicContact CD1-CG 4.48Å; Y117-L254 HydrophobicContact CE1-CD2 4.48Å; K118-L254 HydrophobicContact CB-CD2 4.21Å; K118-L254 HydrophobicContact CD-CD2 4.24Å; K118-L254 HydrophobicContact CG-CD2 4.31Å; W241-L254 HydrophobicContact CE3-CD1 4.34Å; W241-L254 HydrophobicContact CH2-CD1 3.44Å; W241-L254 VanDerWaalsContact CH2-CD1 3.44Å; W241-L254 HydrophobicContact CZ2-CD1 4.35Å; W241-L254 HydrophobicContact CZ3-CD1 3.45Å; W241-L254 VanDerWaalsContact CZ3-CD1 3.45Å; L252-L254 VanDerWaalsContact C-N 3.27Å; L252-L254 HydrophobicContact CB-CD1 3.87Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 3.83Å; L252-L254 PolarHBondContact O-N 2.78Å; L254-D258 VanDerWaalsContact CA-OD2 3.31Å; L254-D258 WeakPolarHBondContact CA-OD2 3.28Å; L254-D258 WeakPolarHBondContact CB-OD2 3.31Å; L254-D258 HydrophobicContact CD2-CB 4.37Å; L254-Y261 HydrophobicContact CD1-CD2 3.53Å; L254-Y261 HydrophobicContact CD1-CE2 3.97Å; L254-Y261 HydrophobicContact CD1-CG 4.09Å
255	T	63.9	Low	68.4	Low	63 Å²	63	81.2 Å²	81.2	39%	0.387	47%	0.465	S	S	.	.			trans	-122.5	163.8	-179.2	33.4	0	0	0	0	110.2	K118 E257 D258	K118-T255 PolarHBondContact NZ-OG1 2.92Å; T255-E257 WeakPolarHBondContact CB-OE1 3.37Å; T255-E257 PolarHBondContact O-N 3.49Å; T255-E257 WeakPolarHBondContact OG1-CG 3.42Å; T255-E257 PolarHBondContact OG1-OE1 3.49Å; T255-D258 PolarHBondContact N-OD2 3.34Å; T255-D258 PolarHBondContact O-N 3.33Å
256	S	52.8	Low	66.4	Low	136 Å²	136	85.7 Å²	85.7	95%	0.951	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	28	-178.4	66.1	0	0	0	0	114.3
257	E	53.6	Low	64.5	Low	138 Å²	138	86.9 Å²	86.9	65%	0.645	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-5.8	173.9	71.7	-154	129.4	0	0	110.9	T255 D259	T255-E257 WeakPolarHBondContact CB-OE1 3.37Å; T255-E257 PolarHBondContact O-N 3.49Å; T255-E257 WeakPolarHBondContact OG1-CG 3.42Å; T255-E257 PolarHBondContact OG1-OE1 3.49Å; E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 PolarHBondContact O-N 3.25Å; E257-D259 VanDerWaalsContact O-N 3.15Å
258	D	70.4	Confident	62.7	Low	37 Å²	37	93.5 Å²	93.5	20%	0.198	53%	0.53	C	S	.	.			trans	-82.1	73.7	168.5	-64.5	-68.4	0	0	0	108.9	K118 L254 T255 D260 Y261	K118-D258 IonicContact NZ-OD1 2.67Å; K118-D258 PolarHBondContact NZ-OD1 2.91Å; K118-D258 IonicContact NZ-OD2 2.9Å; K118-D258 PolarHBondContact NZ-OD2 3.3Å; L254-D258 VanDerWaalsContact CA-OD2 3.31Å; L254-D258 WeakPolarHBondContact CA-OD2 3.28Å; L254-D258 WeakPolarHBondContact CB-OD2 3.31Å; L254-D258 HydrophobicContact CD2-CB 4.37Å; T255-D258 PolarHBondContact N-OD2 3.34Å; T255-D258 PolarHBondContact O-N 3.33Å; D258-D260 PolarHBondContact O-N 2.93Å; D258-Y261 WeakPolarHBondContact O-CB 3.32Å; D258-Y261 PolarHBondContact O-N 2.86Å
259	D	55.7	Low	60.7	Low	159 Å²	159	98 Å²	98	85%	0.85	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-26.1	-166	-74.4	-50.1	0	0	0	116.8	E257 Y261	E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 PolarHBondContact O-N 3.25Å; E257-D259 VanDerWaalsContact O-N 3.15Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 3.5Å
260	D	65.9	Low	58.6	Low	100 Å²	100	104.7 Å²	104.7	54%	0.535	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-11.3	177.3	-64.2	-37.5	0	0	0	114.2	R136 W241 D258 V262	R136-D260 IonicContact CZ-OD2 3.93Å; R136-D260 IonicContact NE-OD2 2.67Å; R136-D260 IonicContact NH2-OD2 2.85Å; R136-D260 PolarHBondContact NH2-OD2 2.9Å; W241-D260 PolarHBondContact NE1-O 2.92Å; D258-D260 PolarHBondContact O-N 2.93Å; D260-V262 PolarHBondContact O-N 3.43Å
261	Y	73	Confident	56.4	Low	75 Å²	75	102.9 Å²	102.9	29%	0.294	59%	0.589	S	S	.	*			trans	-73.7	116.6	-166.8	177.1	-112.6	0	0	0	113.6	W241 H245 L252 L254 D258 D259	W241-Y261 AromaticContact CD2-CD2 3.88Å; W241-Y261 HydrophobicContact CD2-CD2 3.88Å; W241-Y261 HydrophobicContact CD2-CE2 4.43Å; W241-Y261 AromaticContact CE2-CD2 3.96Å; W241-Y261 AromaticContact CE3-CD2 3.99Å; W241-Y261 HydrophobicContact CE3-CD2 3.99Å; W241-Y261 HydrophobicContact CE3-CE2 4.32Å; W241-Y261 HydrophobicContact CG-CD2 4.42Å; W241-Y261 HydrophobicContact CH2-CD2 4.26Å; W241-Y261 HydrophobicContact CZ2-CD2 4.15Å; W241-Y261 HydrophobicContact CZ3-CD2 4.2Å; H245-Y261 PolarHBondContact CE1-OH 3.19Å; H245-Y261 AromaticContact NE2-CE2 3.64Å; H245-Y261 AromaticContact NE2-CZ 3.92Å; H245-Y261 PolarHBondContact NE2-OH 2.93Å; L252-Y261 HydrophobicContact CD1-CE2 4.07Å; L254-Y261 HydrophobicContact CD1-CD2 3.53Å; L254-Y261 HydrophobicContact CD1-CE2 3.97Å; L254-Y261 HydrophobicContact CD1-CG 4.09Å; D258-Y261 WeakPolarHBondContact O-CB 3.32Å; D258-Y261 PolarHBondContact O-N 2.86Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 3.5Å
262	V	67.9	Low	54.3	Low	59 Å²	59	102.9 Å²	102.9	36%	0.358	59%	0.594	S	S	.	*			trans	-104.7	97.1	174.6	-171.7	0	0	0	0	110	K238 D260	K238-V262 HydrophobicContact CG-CG1 4.21Å; D260-V262 PolarHBondContact O-N 3.43Å
263	S	56.2	Low	52.3	Low	62 Å²	62	109.8 Å²	109.8	43%	0.434	63%	0.63	S	S	.	*			trans	-61.8	144.8	172.9	-165	0	0	0	0	111.5	T265	S263-T265 PolarHBondContact O-N 2.9Å; S263-T265 PolarHBondContact O-OG1 3.26Å
264	P	55.6	Low	50.6	Low	94 Å²	94	114 Å²	114	61%	0.61	65%	0.65	S	S	*	*			trans	-66.9	97.7	168	-19.3	32.6	0	0	0	110.9
265	T	46.1	Very low	48.9	Very low	104 Å²	104	115.3 Å²	115.3	64%	0.638	67%	0.671	S	S	*	*			trans	-73.8	143.4	-179.2	-37.4	0	0	0	0	111.9	S263 E267	S263-T265 PolarHBondContact O-N 2.9Å; S263-T265 PolarHBondContact O-OG1 3.26Å; T265-E267 HydrophobicContact CG2-CG 4.16Å; T265-E267 PolarHBondContact O-N 3.26Å
266	S	40.6	Very low	47.3	Very low	120 Å²	120	121.4 Å²	121.4	84%	0.839	70%	0.695	S	S	*	*	S	Bend	trans	-76.9	33.8	-171.2	58.9	0	0	0	0	115.8
267	E	39.1	Very low	46.3	Very low	168 Å²	168	123.2 Å²	123.2	79%	0.785	69%	0.689	S	S	*	*			trans	-92.9	-4.9	-172.5	-63.9	-170.5	147.5	0	0	114.5	T265 L269	T265-E267 HydrophobicContact CG2-CG 4.16Å; T265-E267 PolarHBondContact O-N 3.26Å; E267-L269 PolarHBondContact O-N 3.12Å
268	H	45.7	Very low	45.1	Very low	191 Å²	191	122.6 Å²	122.6	88%	0.884	70%	0.699	S	S	*	*	S	Bend	trans	-98.6	32	-173.6	-108.2	95.9	0	0	0	115.2
269	L	39.7	Very low	43.2	Very low	150 Å²	150	125 Å²	125	79%	0.785	72%	0.715	S	S	*	*	S	Bend	trans	-141.6	52.6	179	-156.6	84.4	0	0	0	114.5	E267	E267-L269 PolarHBondContact O-N 3.12Å
270	N	35.5	Very low	41.9	Very low	174 Å²	174	119.7 Å²	119.7	93%	0.93	69%	0.691	S	S	*	*	S	Bend	trans	179.1	110.9	147.5	-94.4	-37.7	0	0	0	111.1
271	G	27.6	Very low	40.5	Very low	79 Å²	79	121 Å²	121	81%	0.814	70%	0.702	S	S	*	*			trans	173	117.1	175.6	0	0	0	0	0	112.9	L273	G271-L273 PolarHBondContact O-N 3.21Å
272	L	32.2	Very low	38.9	Very low	172 Å²	172	122.8 Å²	122.8	90%	0.901	72%	0.721	S	S	*	*			trans	-77	115.2	-171	-68.8	163	0	0	0	113.1
273	L	33.9	Very low	37.2	Very low	149 Å²	149	124.7 Å²	124.7	78%	0.78	73%	0.729	S	S	*	*			trans	31.1	136.8	132.5	-74.5	177.3	0	0	0	119.7	G271	G271-L273 PolarHBondContact O-N 3.21Å
274	P	35.3	Very low	36.5	Very low	131 Å²	131	128.4 Å²	128.4	85%	0.851	74%	0.743	S	S	*	*				-139.2	124.1	66.2	35.9	-19.3	0	0	0	116.8
275	G	37.1	Very low	35.8	Very low	60 Å²	60	131 Å²	131	62%	0.619	75%	0.751	S	S	*	*			trans	70.5	109.3	151.3	0	0	0	0	0	117.7
276	E	30.1	Very low	35.1	Very low	192 Å²	192	132.7 Å²	132.7	90%	0.897	76%	0.756	S	S	*	*			trans	-171.8	160.5	135.4	-89.2	-95.3	110.5	0	0	106.5
277	E	30.8	Very low	34.6	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.813	76%	0.761	S	S	*	*			trans	-90.7	162.2	-163.4	-63.4	-175.6	111	0	0	114.6	V279	E277-V279 VanDerWaalsContact C-N 3.26Å; E277-V279 PolarHBondContact O-N 3.44Å
278	S	28.7	Very low	34.1	Very low	124 Å²	124	132.6 Å²	132.6	87%	0.867	76%	0.759	S	S	*	*			trans	-75.3	77	172.9	60	0	0	0	0	110.9	S280	S278-S280 PolarHBondContact O-N 3.1Å
279	V	29.7	Very low	33.3	Very low	88 Å²	88	129.7 Å²	129.7	53%	0.533	76%	0.755	S	S	.	*			trans	-52	121.5	-175.1	-174.9	0	0	0	0	111.5	E277 D283 L284	E277-V279 VanDerWaalsContact C-N 3.26Å; E277-V279 PolarHBondContact O-N 3.44Å; V279-D283 HydrophobicContact CG1-CB 4.26Å; V279-L284 HydrophobicContact CG1-CD1 4.44Å; V279-L284 HydrophobicContact CG1-CD2 4.13Å; V279-L284 HydrophobicContact CG1-CG 3.93Å
280	S	30.1	Very low	33	Very low	48 Å²	48	129.3 Å²	129.3	34%	0.336	76%	0.759	S	S	.	*			trans	-85.9	160.5	174.1	86.9	0	0	0	0	110.5	S278 T282 D283	S278-S280 PolarHBondContact O-N 3.1Å; S280-T282 PolarHBondContact O-N 3.19Å; S280-T282 WeakPolarHBondContact OG-CB 3.2Å; S280-T282 PolarHBondContact OG-N 3.31Å; S280-T282 PolarHBondContact OG-OG1 2.8Å; S280-D283 WeakPolarHBondContact CA-OD2 3.42Å; S280-D283 WeakPolarHBondContact CB-OD2 3.28Å; S280-D283 PolarHBondContact N-OD2 2.92Å; S280-D283 PolarHBondContact O-N 3.42Å; S280-D283 VanDerWaalsContact O-N 3.08Å; S280-D283 VanDerWaalsContact OG-CG 3.32Å; S280-D283 PolarHBondContact OG-OD2 2.93Å
281	V	36.5	Very low	32.6	Very low	128 Å²	128	126.3 Å²	126.3	78%	0.776	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-12.8	177.2	-175.8	0	0	0	0	112.2
282	T	39.1	Very low	32.6	Very low	112 Å²	112	126.9 Å²	126.9	69%	0.687	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-27	176	-16.1	0	0	0	0	113.5	S280	S280-T282 PolarHBondContact O-N 3.19Å; S280-T282 WeakPolarHBondContact OG-CB 3.2Å; S280-T282 PolarHBondContact OG-N 3.31Å; S280-T282 PolarHBondContact OG-OG1 2.8Å
283	D	32.1	Very low	32.6	Very low	98 Å²	98	125.1 Å²	125.1	52%	0.524	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	-13.6	-161.4	-47.4	-52	0	0	0	113.4	V279 S280 L285	V279-D283 HydrophobicContact CG1-CB 4.26Å; S280-D283 WeakPolarHBondContact CA-OD2 3.42Å; S280-D283 WeakPolarHBondContact CB-OD2 3.28Å; S280-D283 PolarHBondContact N-OD2 2.92Å; S280-D283 PolarHBondContact O-N 3.42Å; S280-D283 VanDerWaalsContact O-N 3.08Å; S280-D283 VanDerWaalsContact OG-CG 3.32Å; S280-D283 PolarHBondContact OG-OD2 2.93Å; D283-L285 PolarHBondContact O-N 3.25Å
284	L	41	Very low	32.2	Very low	141 Å²	141	123.9 Å²	123.9	74%	0.738	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	17.5	-178	-71.5	173.3	0	0	0	114.8	V279	V279-L284 HydrophobicContact CG1-CD1 4.44Å; V279-L284 HydrophobicContact CG1-CD2 4.13Å; V279-L284 HydrophobicContact CG1-CG 3.93Å
285	L	40.2	Very low	32	Very low	148 Å²	148	122.8 Å²	122.8	78%	0.775	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-3.7	-175.1	-68.5	-179.5	0	0	0	115.3	D283	D283-L285 PolarHBondContact O-N 3.25Å
286	D	32.8	Very low	31.5	Very low	139 Å²	139	123.1 Å²	123.1	74%	0.743	76%	0.757	S	S	*	*			trans	-122.1	77.3	-175.2	-161.9	6.7	0	0	0	113.4
287	L	29.1	Very low	31.4	Very low	179 Å²	179	120 Å²	120	94%	0.937	76%	0.756	S	S	*	*			trans	-143.1	91.9	163.6	-81.8	-176.2	0	0	0	111
288	S	29.9	Very low	31.2	Very low	107 Å²	107	117.1 Å²	117.1	75%	0.748	76%	0.755	S	S	*	*			trans	-133.3	72.6	166.8	68.5	0	0	0	0	113.1
289	T	28.6	Very low	32.2	Very low	131 Å²	131	117 Å²	117	80%	0.804	75%	0.751	S	S	*	*			trans	-150.4	121.7	156.7	-65.1	0	0	0	0	109.5
290	V	31.7	Very low	33	Very low	142 Å²	142	117.6 Å²	117.6	86%	0.861	76%	0.757	S	S	*	*			trans	-100.6	140.7	171.3	174.9	0	0	0	0	108.4
291	S	28.2	Very low	32.7	Very low	111 Å²	111	123.9 Å²	123.9	78%	0.776	78%	0.78	S	S	*	*			trans	-144.4	140	166.2	-77.5	0	0	0	0	110.1
292	A	28.3	Very low	32.2	Very low	91 Å²	91	124.3 Å²	124.3	75%	0.752	78%	0.783	S	S	*	*			trans	-87	157.6	-169.5	0	0	0	0	0	112.3
293	P	30.8	Very low	31.6	Very low	135 Å²	135	123.2 Å²	123.2	88%	0.877	78%	0.78	S	S	*	*			trans	-79.1	147.7	-173.9	32	-36	0	0	0	113.3
294	S	25.7	Very low	31.3	Very low	123 Å²	123	125.2 Å²	125.2	86%	0.86	80%	0.796	S	S	*	*			trans	-127.7	146	168.3	58.5	0	0	0	0	110.3
295	A	31.8	Very low	30.6	Very low	107 Å²	107	126.7 Å²	126.7	88%	0.884	80%	0.798	S	S	*	*			trans	-122.7	150.8	-172.7	0	0	0	0	0	113.1
296	G	26.3	Very low	29.9	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	80%	0.8	S	S	*	*			trans	108.2	121.9	147.2	0	0	0	0	0	119.3
297	S	28.6	Very low	29.5	Very low	126 Å²	126	122.8 Å²	122.8	88%	0.881	81%	0.807	S	S	*	*			trans	66.5	152	142.7	57.4	0	0	0	0	122.3
298	S	25.7	Very low	29.4	Very low	114 Å²	114	122.3 Å²	122.3	80%	0.797	80%	0.804	S	S	*	*			trans	-136.6	179	179.9	-20.1	0	0	0	0	110.2
299	P	49.5	Very low	29.1	Very low	121 Å²	121	124 Å²	124	79%	0.786	81%	0.81	S	S	*	*			cis	-110.5	-83.9	-20.3	26.9	-6.3	0	0	0	112.4
300	P	46.1	Very low	29.1	Very low	100 Å²	100	122.8 Å²	122.8	65%	0.649	81%	0.807	S	S	*	*			cis	-127.7	133.2	-33.1	30.7	-9.9	0	0	0	116.6
301	H	25.3	Very low	29.8	Very low	180 Å²	180	122.2 Å²	122.2	83%	0.833	81%	0.806	S	S	*	*			trans	62.3	139.8	160.7	-73.2	-101.7	0	0	0	119.2
302	V	26.5	Very low	29.9	Very low	137 Å²	137	120.8 Å²	120.8	83%	0.83	80%	0.801	S	S	*	*				-176.1	160.2	75.5	151	0	0	0	0	109.4
303	S	25.1	Very low	30	Very low	90 Å²	90	122.4 Å²	122.4	63%	0.629	81%	0.807	S	S	*	*			cis	-169.5	-159	-44.6	78.8	0	0	0	0	109.2
304	V	27	Very low	30.1	Very low	140 Å²	140	120.4 Å²	120.4	85%	0.848	80%	0.802	S	S	*	*			trans	80.2	151.7	171.8	-168.6	0	0	0	0	118.1
305	H	24.8	Very low	30.7	Very low	171 Å²	171	120.8 Å²	120.8	79%	0.792	80%	0.801	S	S	*	*			trans	-111.2	158.5	-162.4	-103	-88.2	0	0	0	115.6
306	C	26.5	Very low	30.6	Very low	121 Å²	121	123 Å²	123	82%	0.818	80%	0.797	S	S	*	*			trans	13.1	135.7	148.1	-52.6	0	0	0	0	121.8
307	G	23.7	Very low	30.7	Very low	85 Å²	85	127.3 Å²	127.3	88%	0.876	80%	0.803	S	S	*	*			trans	-162.7	140	159.8	0	0	0	0	0	112.9
308	L	27.3	Very low	30.6	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	80%	0.796	S	S	*	*			trans	-119.7	143.8	-177.9	-170.1	86.2	0	0	0	110.1
309	T	23.5	Very low	30.7	Very low	141 Å²	141	124.8 Å²	124.8	87%	0.865	80%	0.798	S	S	*	*			trans	-173	152.2	149.9	9.4	0	0	0	0	114
310	S	29.7	Very low	29.8	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	80%	0.795	S	S	*	*			trans	-117.6	164.6	158.5	-53.7	0	0	0	0	109
311	P	45.7	Very low	29	Very low	130 Å²	130	127.9 Å²	127.9	84%	0.844	81%	0.806	S	S	*	*				-136.5	-158.4	106.1	35.2	-17.3	0	0	0	110
312	A	29.5	Very low	29.9	Very low	81 Å²	81	124.7 Å²	124.7	67%	0.669	80%	0.801	S	S	*	*			cis	-157.6	167.1	8.7	0	0	0	0	0	113.8
313	S	30.9	Very low	31.3	Very low	124 Å²	124	123.6 Å²	123.6	87%	0.867	80%	0.797	S	S	*	*			trans	48.2	118.4	142.3	-55.5	0	0	0	0	122.7
314	A	32.6	Very low	32.5	Very low	94 Å²	94	124.4 Å²	124.4	78%	0.777	80%	0.8	S	S	*	*			trans	-113.8	167.9	145.7	0	0	0	0	0	109.5
315	P	39.6	Very low	32.5	Very low	130 Å²	130	123 Å²	123	84%	0.844	80%	0.796	S	S	*	*				-139.4	162.7	127.6	37.7	-26	0	0	0	115.9
316	I	27.9	Very low	33	Very low	154 Å²	154	120 Å²	120	79%	0.79	80%	0.801	S	S	*	*			trans	-84.9	147.2	-175.1	-59.2	149.2	0	0	0	110.9
317	L	28.7	Very low	32.9	Very low	158 Å²	158	119.3 Å²	119.3	83%	0.827	80%	0.804	S	S	*	*				-168.7	128.1	125.8	-125.4	79.6	0	0	0	116.4
318	S	26.6	Very low	32.8	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	80%	0.803	S	S	*	*			trans	47	124.3	138.9	64	0	0	0	0	123.8
319	G	28.7	Very low	33	Very low	81 Å²	81	121.9 Å²	121.9	84%	0.835	80%	0.801	S	S	*	*			trans	178.1	126.4	153.6	0	0	0	0	0	109
320	A	29.5	Very low	33.8	Very low	88 Å²	88	120.2 Å²	120.2	73%	0.727	79%	0.792	S	S	*	*			trans	-150.3	159.6	-159.7	0	0	0	0	0	117.2
321	F	30.4	Very low	33.6	Very low	198 Å²	198	121.7 Å²	121.7	87%	0.868	79%	0.791	S	S	*	*			trans	74.4	160.5	167.7	-66.8	-80.6	0	0	0	117.8
322	P	44.3	Very low	32.5	Very low	113 Å²	113	123.2 Å²	123.2	73%	0.734	79%	0.787	S	S	*	*				-137.8	-126.9	-66.6	46.2	-25.9	0	0	0	112.8
323	P	56.2	Low	32.5	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	79%	0.789	S	S	*	*			trans	-116	-141.1	-163	34.9	-6.3	0	0	0	109.6
324	P	48.4	Very low	33.1	Very low	107 Å²	107	125.2 Å²	125.2	70%	0.695	79%	0.787	S	S	*	*			cis	-138.3	-170	-13.1	43.6	-24.1	0	0	0	115.8
325	S	28.3	Very low	33	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	78%	0.779	S	S	*	*			trans	37.7	115.2	146.1	-57.9	0	0	0	0	123.2
326	A	34.5	Very low	32.8	Very low	108 Å²	108	124.3 Å²	124.3	89%	0.893	78%	0.778	S	S	*	*			trans	36.4	122.7	131	0	0	0	0	0	122.3
327	A	24.6	Very low	32.8	Very low	106 Å²	106	122.5 Å²	122.5	88%	0.876	78%	0.779	S	S	*	*			trans	-151.1	166.7	154.3	0	0	0	0	0	111.7
328	C	22.7	Very low	32.8	Very low	126 Å²	126	118.4 Å²	118.4	85%	0.851	78%	0.775	S	S	*	*			trans	-91.4	165.1	-167.2	-58.3	0	0	0	0	115.5
329	Q	30.8	Very low	33.1	Very low	183 Å²	183	119 Å²	119	86%	0.855	78%	0.779	S	S	*	*			trans	9.4	149.1	140.7	-80	-167.8	4.1	0	0	120.1
330	P	39.3	Very low	33.3	Very low	105 Å²	105	126.7 Å²	126.7	68%	0.682	78%	0.783	S	S	*	*				-161.9	174.9	67.1	45.1	-23.7	0	0	0	121.8
331	I	25.7	Very low	34.1	Very low	139 Å²	139	128.3 Å²	128.3	71%	0.713	79%	0.786	S	S	*	*			trans	79.7	125.5	137.7	-82.8	163.1	0	0	0	123.8
332	E	24.4	Very low	33.8	Very low	162 Å²	162	122.1 Å²	122.1	76%	0.757	78%	0.779	S	S	*	*			trans	50.1	129.9	145.5	-60.7	178.2	139.1	0	0	122.6
333	V	28.4	Very low	34	Very low	120 Å²	120	122.7 Å²	122.7	73%	0.727	78%	0.782	S	S	*	*			cis	84	119.8	47.1	171.7	0	0	0	0	112
334	P	42.8	Very low	32.7	Very low	126 Å²	126	126.3 Å²	126.3	82%	0.818	79%	0.789	S	S	*	*				-151.9	-175.5	78.2	38.8	-17.9	0	0	0	117.3
335	S	30.6	Very low	32.7	Very low	88 Å²	88	126.5 Å²	126.5	62%	0.615	79%	0.79	S	S	*	*			cis	-175.6	152.1	-41.4	-82.7	0	0	0	0	112
336	S	35.5	Very low	32.8	Very low	118 Å²	118	128.9 Å²	128.9	83%	0.825	79%	0.791	S	S	*	*			trans	62.4	153.1	159.2	57.7	0	0	0	0	120
337	S	29	Very low	32.7	Very low	116 Å²	116	131.4 Å²	131.4	81%	0.811	79%	0.785	S	S	*	*			cis	-162.3	130.8	-9.9	45.7	0	0	0	0	108.7
338	G	28.7	Very low	33.8	Very low	72 Å²	72	131.7 Å²	131.7	74%	0.742	78%	0.777	S	S	*	*				109.5	169.3	84.8	0	0	0	0	0	112
339	S	32.7	Very low	34.3	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	78%	0.775	S	S	*	*			cis	-172.7	137.6	-16.8	-82.4	0	0	0	0	112.8
340	R	31.7	Very low	34.9	Very low	243 Å²	243	128.2 Å²	128.2	92%	0.917	77%	0.772	S	S	*	*			trans	77	148.9	154.7	-145	-178.4	-170.4	-159.5	1	119.4
341	P	46.8	Very low	35.9	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	78%	0.775	S	S	*	*			cis	-106.3	-162	-17.3	14.4	11.2	0	0	0	111.5
342	G	24.7	Very low	35.9	Very low	69 Å²	69	128 Å²	128	71%	0.711	78%	0.782	S	S	*	*			cis	107.7	146.8	-4.7	0	0	0	0	0	116.2
343	P	47.9	Very low	36	Very low	125 Å²	125	125.7 Å²	125.7	81%	0.812	78%	0.783	S	S	*	*			cis	-129.6	160.4	-8.6	41.5	-25.8	0	0	0	116.8
344	E	28.2	Very low	35.9	Very low	189 Å²	189	129.6 Å²	129.6	88%	0.883	79%	0.793	S	S	*	*			trans	155.3	153.4	130.8	-81.6	-153.1	114.9	0	0	113.2
345	P	49.1	Very low	35	Very low	110 Å²	110	127.2 Å²	127.2	71%	0.714	79%	0.791	S	S	*	*			trans	-120.6	-166.4	-165.6	46.5	-32.1	0	0	0	113.1
346	M	31.2	Very low	34.7	Very low	161 Å²	161	128.4 Å²	128.4	79%	0.793	80%	0.8	S	S	*	*			cis	-146.3	-138.7	4.9	-151.9	153.5	-171.3	0	0	113.5
347	E	32	Very low	34.3	Very low	162 Å²	162	130 Å²	130	76%	0.757	80%	0.798	S	S	*	*			trans	-136.2	166.5	-147	-68.6	167.1	92.7	0	0	116.3
348	P	47.4	Very low	34.1	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	80%	0.798	S	S	*	*			trans	-122.2	175.2	-165.9	42.5	-30.5	0	0	0	117.6
349	S	34	Very low	33.9	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	80%	0.795	S	S	*	*			trans	71.5	172.3	171.5	-44.7	0	0	0	0	115.8
350	P	43.2	Very low	33.8	Very low	121 Å²	121	135 Å²	135	79%	0.786	80%	0.799	S	S	*	*			cis	-126.9	-158.9	-2.4	46.4	-28.5	0	0	0	112.8
351	P	59.6	Low	33.7	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	79%	0.791	S	S	*	*			trans	-115.4	-179	-167.8	43	-35.3	0	0	0	118.2
352	S	25.6	Very low	33.8	Very low	123 Å²	123	128.7 Å²	128.7	86%	0.86	79%	0.788	S	S	*	*			trans	112.3	159.1	162.7	76.7	0	0	0	0	118
353	C	27.4	Very low	35.2	Very low	115 Å²	115	130.1 Å²	130.1	78%	0.777	78%	0.784	S	S	*	*			trans	-110.3	152.1	-160.7	-51.5	0	0	0	0	114
354	H	26.4	Very low	34.2	Very low	202 Å²	202	131.2 Å²	131.2	94%	0.935	78%	0.782	S	S	*	*			trans	164.2	157.5	130.6	-94.8	-72.1	0	0	0	112.1
355	G	23.1	Very low	34.1	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	77%	0.774	S	S	*	*			trans	105.7	96.9	152.1	0	0	0	0	0	117.5
356	S	25.2	Very low	33	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	78%	0.778	S	S	*	*			trans	-76.8	153.9	167.9	-42.1	0	0	0	0	112.1
357	L	26.3	Very low	32.8	Very low	152 Å²	152	124.4 Å²	124.4	80%	0.796	78%	0.775	S	S	*	*				174.1	152.6	113.6	-95.2	172.7	0	0	0	114.5
358	L	24.6	Very low	32.7	Very low	152 Å²	152	122.9 Å²	122.9	80%	0.796	78%	0.776	S	S	*	*			trans	54.3	110.7	161.4	-59.7	170.6	0	0	0	117.7
359	A	24.8	Very low	31.7	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	78%	0.781	S	S	*	*			cis	89.4	116	35.6	0	0	0	0	0	115.9
360	L	29.7	Very low	31.3	Very low	174 Å²	174	121.8 Å²	121.8	91%	0.911	78%	0.776	S	S	*	*			trans	-145	157	152.4	-101.2	168.1	0	0	0	107.6
361	T	30.8	Very low	30.6	Very low	120 Å²	120	121 Å²	121	74%	0.736	78%	0.781	S	S	*	*			trans	-131.9	-153.7	-149.2	53.8	0	0	0	0	114
362	P	49.5	Very low	29	Very low	112 Å²	112	119.7 Å²	119.7	73%	0.727	78%	0.779	S	S	*	*				-124.7	-136.5	-113.5	39.4	-15.9	0	0	0	111.1
363	P	52.4	Low	29.1	Very low	99 Å²	99	119 Å²	119	64%	0.643	77%	0.774	S	S	*	*			cis	-139.3	-154.8	-14	26.7	1.2	0	0	0	115
364	I	28.4	Very low	28.9	Very low	148 Å²	148	122.9 Å²	122.9	76%	0.759	78%	0.778	S	S	*	*			trans	95.8	132	155	-59.7	167.6	0	0	0	116.3
365	T	25.9	Very low	28.9	Very low	118 Å²	118	117.9 Å²	117.9	72%	0.724	76%	0.762	S	S	*	*			cis	-178.3	159.2	-46.7	32.9	0	0	0	0	109.6
366	A	26.1	Very low	29	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	76%	0.763	S	S	*	*			trans	67.5	163	157.3	0	0	0	0	0	117.8
367	S	26.4	Very low	29.1	Very low	104 Å²	104	124.2 Å²	124.2	73%	0.727	76%	0.763	S	S	*	*			cis	-164.3	156.6	-14.6	45	0	0	0	0	113.1
368	V	29.1	Very low	29.2	Very low	130 Å²	130	126.1 Å²	126.1	79%	0.788	77%	0.768	S	S	*	*			trans	6.7	126.4	144.3	-173.7	0	0	0	0	119.6
369	S	26.8	Very low	29.3	Very low	117 Å²	117	122.5 Å²	122.5	82%	0.818	77%	0.767	S	S	*	*			trans	-172.4	148.9	130.9	-77.4	0	0	0	0	109.8
370	A	26.3	Very low	29.4	Very low	85 Å²	85	122.6 Å²	122.6	70%	0.702	78%	0.776	S	S	*	*			cis	97.9	77.3	16.5	0	0	0	0	0	117.1
371	A	27.6	Very low	29.2	Very low	106 Å²	106	121.4 Å²	121.4	88%	0.876	77%	0.771	S	S	*	*			trans	58.6	144.7	139.4	0	0	0	0	0	124.6
372	A	27.4	Very low	29.2	Very low	87 Å²	87	120.4 Å²	120.4	72%	0.719	77%	0.769	S	S	*	*			trans	97.7	99.7	140.5	0	0	0	0	0	122.8
373	S	26.5	Very low	28	Very low	108 Å²	108	123.5 Å²	123.5	76%	0.755	77%	0.774	S	S	*	*				85.8	143.3	119.6	-57.6	0	0	0	0	124.2
374	F	24.4	Very low	26.9	Very low	197 Å²	197	123.7 Å²	123.7	86%	0.864	78%	0.778	S	S	*	*			trans	73.4	157.5	155.8	-88.7	-138.4	0	0	0	118.9
375	T	24.8	Very low	26.7	Very low	98 Å²	98	125 Å²	125	60%	0.601	78%	0.78	S	S	*	*			cis	-179.5	142.3	-24.9	57.8	0	0	0	0	110.7
376	L	26.3	Very low	26.8	Very low	155 Å²	155	124 Å²	124	81%	0.812	78%	0.778	S	S	*	*			trans	151.7	168.2	154	-104.2	76.9	0	0	0	109
377	E	27.2	Very low	26.8	Very low	167 Å²	167	125.4 Å²	125.4	78%	0.78	78%	0.777	S	S	*	*			cis	-179.6	-177.7	-42	-107.7	-63.3	141.9	0	0	108
378	E	29.2	Very low	26.9	Very low	191 Å²	191	126.7 Å²	126.7	89%	0.893	78%	0.776	S	S	*	*			trans	73.4	144.7	167.5	-158.4	168.1	-154.3	0	0	116.6
379	G	25.7	Very low	26.9	Very low	77 Å²	77	129.5 Å²	129.5	79%	0.794	78%	0.78	S	S	*	*			cis	145.2	138.6	-7.6	0	0	0	0	0	111.5
380	G	27.3	Very low	27	Very low	85 Å²	85	132.4 Å²	132.4	88%	0.876	78%	0.783	S	S	*	*			cis	-127.6	-128	-10.6	0	0	0	0	0	110.9
381	D	25.1	Very low	28.5	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	78%	0.78	S	S	*	*			cis	-162.8	144.4	-9.7	-168.8	4.4	0	0	0	111.3
382	S	30.4	Very low	28.8	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	78%	0.776	S	S	*	*			trans	37.3	151	157.2	-63.8	0	0	0	0	124
383	Q	24.5	Very low	29.6	Very low	176 Å²	176	134.9 Å²	134.9	82%	0.822	78%	0.776	S	S	*	*			cis	-146.6	159.3	20.4	-69.1	-175.2	-10.2	0	0	114.8
384	S	30.1	Very low	31.1	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	78%	0.777	S	S	*	*			trans	19	154.8	152.9	51.9	0	0	0	0	124
385	E	23.5	Very low	31.2	Very low	174 Å²	174	130.7 Å²	130.7	81%	0.813	77%	0.773	S	S	*	*			cis	-153.4	154.7	28.6	-157.4	174.7	120.3	0	0	115.6
386	S	28.3	Very low	31.4	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	78%	0.781	S	S	*	*			trans	1	153.2	162.1	-48.1	0	0	0	0	122.3
387	T	26.4	Very low	31.5	Very low	127 Å²	127	128 Å²	128	78%	0.779	78%	0.777	S	S	*	*			cis	-160.4	146.6	38.6	-41.2	0	0	0	0	115.2
388	N	29.2	Very low	31.5	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	78%	0.783	S	S	*	*			trans	-22.2	141.1	170.2	-51.6	-39.8	0	0	0	120.9
389	H	27.7	Very low	31.3	Very low	189 Å²	189	123.2 Å²	123.2	88%	0.875	78%	0.782	S	S	*	*				-170.3	162	94.1	-98.1	-75	0	0	0	112.4
390	M	30.4	Very low	31.5	Very low	177 Å²	177	126.6 Å²	126.6	87%	0.872	78%	0.782	S	S	*	*			trans	-130.7	175.6	-169.9	-107.3	-134.1	-51.7	0	0	113.1
391	P	57.5	Low	31.6	Very low	101 Å²	101	129.2 Å²	129.2	66%	0.656	78%	0.776	S	S	*	*			trans	-94	-171.6	-154.5	40.9	-39.5	0	0	0	114.6
392	P	32.4	Very low	31.8	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	78%	0.776	S	S	*	*				-152.6	164.4	96.1	41	-24.2	0	0	0	117.8
393	P	44.5	Very low	31.9	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	78%	0.777	S	S	*	*			trans	-107.1	-165.2	157.5	43.1	-34.2	0	0	0	110.7
394	P	58	Low	32.3	Very low	121 Å²	121	125.7 Å²	125.7	79%	0.786	77%	0.771	S	S	*	*			cis	-128.1	-171.1	-26.3	31.3	-10.5	0	0	0	113.4
395	A	27.2	Very low	32.1	Very low	95 Å²	95	128.5 Å²	128.5	79%	0.785	78%	0.778	S	S	*	*				132.2	149	128.5	0	0	0	0	0	120.1
396	A	29.2	Very low	32.7	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	76%	0.764	S	S	*	*			trans	70.1	104.7	147.7	0	0	0	0	0	123.9
397	S	27.6	Very low	32.9	Very low	104 Å²	104	127 Å²	127	73%	0.727	77%	0.771	S	S	*	*				61.2	136.2	116.3	-148.7	0	0	0	0	124.1
398	L	28.4	Very low	33.3	Very low	173 Å²	173	126.4 Å²	126.4	91%	0.906	76%	0.764	S	S	*	*			trans	48.5	115.4	150.5	-74.6	167.5	0	0	0	120.5
399	G	25.2	Very low	33.6	Very low	85 Å²	85	126.5 Å²	126.5	88%	0.876	76%	0.764	S	S	*	*			trans	-175	119.9	161.3	0	0	0	0	0	112.8
400	N	28.7	Very low	34.3	Very low	147 Å²	147	124.5 Å²	124.5	79%	0.786	76%	0.755	S	S	*	*			trans	-120.8	142.8	176.8	177.9	27.6	0	0	0	109.6
401	L	30.6	Very low	34.5	Very low	141 Å²	141	124 Å²	124	74%	0.738	75%	0.751	S	S	*	*			trans	150.5	147.1	134.1	-82.7	169.1	0	0	0	114
402	S	28.6	Very low	33.5	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	75%	0.753	S	S	*	*			trans	71.8	156.3	149.1	78.7	0	0	0	0	117.8
403	S	33	Very low	34.2	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	75%	0.748	S	S	*	*			cis	-178.8	154.9	-18	163.6	0	0	0	0	108.5
404	L	32.8	Very low	33.8	Very low	133 Å²	133	126.1 Å²	126.1	70%	0.696	75%	0.754	S	S	*	*			cis	-168.5	167.3	-24.9	-95.3	177.9	0	0	0	105.1	I406	L404-I406 HydrophobicContact CD1-CD1 3.97Å; L404-I406 HydrophobicContact CD2-CD1 4.24Å
405	D	25.5	Very low	32.4	Very low	164 Å²	164	126.7 Å²	126.7	88%	0.877	75%	0.75	S	S	*	*			trans	-150.3	141.2	142.9	-138.3	-18.9	0	0	0	111.9
406	I	36.6	Very low	33.5	Very low	103 Å²	103	128.1 Å²	128.1	53%	0.528	75%	0.752	S	S	.	*			trans	-151.6	135.4	-164.4	-67.9	-178.6	0	0	0	113.1	L404 N408	L404-I406 HydrophobicContact CD1-CD1 3.97Å; L404-I406 HydrophobicContact CD2-CD1 4.24Å; I406-N408 VanDerWaalsContact CG2-OD1 3.28Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.5Å
407	T	32.5	Very low	33.8	Very low	135 Å²	135	128.1 Å²	128.1	83%	0.828	75%	0.746	S	S	*	*			trans	-150.3	118.8	145.5	52.2	0	0	0	0	107.4
408	N	33.6	Very low	34.6	Very low	116 Å²	116	130.5 Å²	130.5	62%	0.62	75%	0.75	S	S	*	*				58.6	134.6	56.4	-77.8	50.7	0	0	0	112.9	I406	I406-N408 VanDerWaalsContact CG2-OD1 3.28Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.5Å
409	D	35.9	Very low	35	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	75%	0.745	S	S	*	*			cis	-162.8	169.1	3.5	-90.7	-26.5	0	0	0	108.3
410	E	41.4	Very low	35.5	Very low	147 Å²	147	128.8 Å²	128.8	69%	0.687	74%	0.739	S	S	*	*			cis	-161.8	-170.3	-6.2	-131.3	-75.9	74.8	0	0	109
411	E	35.1	Very low	35.7	Very low	167 Å²	167	128 Å²	128	78%	0.78	74%	0.735	S	S	*	*			trans	116.4	66	139.8	-154.4	168.8	-141.2	0	0	119.6
412	L	36.6	Very low	36.2	Very low	136 Å²	136	128.1 Å²	128.1	71%	0.712	74%	0.742	S	S	*	*			trans	57.8	172.1	130.5	-55.7	174.5	0	0	0	120.9
413	P	47.6	Very low	36.6	Very low	104 Å²	104	130 Å²	130	68%	0.675	74%	0.738	S	S	*	*				-132.7	-171.2	-74.2	41.7	-25	0	0	0	115.3
414	T	36.3	Very low	36.9	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	74%	0.744	S	S	*	*			trans	71.4	109.2	163.5	54.9	0	0	0	0	121.4
415	D	29.1	Very low	37.4	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	75%	0.745	S	S	*	*				-168.8	121.4	118.3	-174.4	12.7	0	0	0	111	S417	D415-S417 PolarHBondContact O-N 3.27Å
416	P	50.3	Low	38.3	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	74%	0.736	S	S	*	*			trans	-85.4	85	176.8	34.5	-35.7	0	0	0	113.3
417	S	34.6	Very low	38.6	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	75%	0.746	S	S	*	*			trans	-124.5	83.5	175.7	-79.3	0	0	0	0	115	D415 S419	D415-S417 PolarHBondContact O-N 3.27Å; S417-S419 PolarHBondContact O-N 3.02Å
418	N	44.1	Very low	39.7	Very low	154 Å²	154	128.4 Å²	128.4	82%	0.824	73%	0.733	S	S	*	*			trans	17.4	100.4	136.1	179.6	22	0	0	0	118.1
419	S	37.9	Very low	41.5	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	71%	0.714	S	S	*	*			trans	-168	94.7	149	-83.1	0	0	0	0	112.5	S417	S417-S419 PolarHBondContact O-N 3.02Å
420	S	33.9	Very low	43.5	Very low	109 Å²	109	121 Å²	121	76%	0.762	69%	0.693	S	S	*	*			trans	-159	141.5	149.9	-90.4	0	0	0	0	112.5
421	D	33	Very low	45.1	Very low	131 Å²	131	122.5 Å²	122.5	70%	0.701	70%	0.7	S	S	*	*			trans	48.8	100.3	153.8	-54	-46.2	0	0	0	120.2	Q423	D421-Q423 HydrophobicContact CB-CB 4.44Å; D421-Q423 PolarHBondContact O-N 3.3Å
422	T	42.9	Very low	46.9	Very low	143 Å²	143	116 Å²	116	88%	0.877	68%	0.675	S	S	*	*			trans	-70.5	72.7	154.8	54.7	0	0	0	0	110.3
423	Q	35.7	Very low	48.8	Very low	157 Å²	157	113.6 Å²	113.6	73%	0.734	66%	0.659	S	S	*	*			trans	-96.2	16.1	177.8	-153.5	-176.7	-21	0	0	113.3	D421	D421-Q423 HydrophobicContact CB-CB 4.44Å; D421-Q423 PolarHBondContact O-N 3.3Å
424	E	40.7	Very low	50	Low	176 Å²	176	110 Å²	110	82%	0.822	64%	0.636	S	S	*	*	S	Bend	trans	-97.4	-10.4	-178.6	-69.4	-169.4	122.2	0	0	115.3	S427	E424-S427 PolarHBondContact O-OG 2.84Å
425	E	43.3	Very low	52.1	Low	153 Å²	153	108 Å²	108	72%	0.715	63%	0.627	S	S	*	*	S	Bend	trans	-83.6	-5.3	179.9	-77	-109.8	151.7	0	0	114.2
426	T	42.8	Very low	54.7	Low	114 Å²	114	104.1 Å²	104.1	70%	0.699	61%	0.607	S	S	*	*	S	Bend	trans	-111.1	-9.3	-176.7	-41.3	0	0	0	0	113.3	G428	T426-G428 VanDerWaalsContact C-N 3.3Å; T426-G428 PolarHBondContact O-N 3.11Å
427	S	43.3	Very low	56.5	Low	106 Å²	106	100 Å²	100	74%	0.741	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-2.5	-173.7	52.1	0	0	0	0	115.1	E424	E424-S427 PolarHBondContact O-OG 2.84Å
428	G	56.3	Low	58.8	Low	52 Å²	52	101 Å²	101	54%	0.536	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.5	7.9	-176.1	0	0	0	0	0	115.8	T426	T426-G428 VanDerWaalsContact C-N 3.3Å; T426-G428 PolarHBondContact O-N 3.11Å
429	E	71	Confident	60.9	Low	49 Å²	49	95.1 Å²	95.1	23%	0.229	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-85.1	128.9	172.5	-178.7	171.7	168.4	0	0	110.8	E431 I557 R563	E429-E431 PolarHBondContact O-N 3.12Å; E429-I557 HydrophobicContact CG-CG1 4.07Å; E429-R563 WeakPolarHBondContact OE1-CD 3.45Å; E429-R563 IonicContact OE1-CZ 3.69Å; E429-R563 IonicContact OE1-NE 2.65Å; E429-R563 PolarHBondContact OE1-NE 3.28Å; E429-R563 IonicContact OE1-NH1 2.68Å; E429-R563 PolarHBondContact OE1-NH1 2.89Å; E429-R563 IonicContact OE1-NH2 3.76Å; E429-R563 IonicContact OE2-CZ 2.63Å; E429-R563 IonicContact OE2-NE 2.7Å; E429-R563 IonicContact OE2-NH1 3.65Å; E429-R563 PolarHBondContact OE2-NH1 3.29Å; E429-R563 IonicContact OE2-NH2 2.89Å; E429-R563 PolarHBondContact OE2-NH2 2.77Å
430	V	77.6	Confident	63.5	Low	45 Å²	45	94.8 Å²	94.8	27%	0.273	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-73.4	118.7	170.9	-179.2	0	0	0	0	108.6	E527 C528 T555 S556	V430-E527 HydrophobicContact CG2-CB 4.31Å; V430-C528 HydrophobicContact CG1-CB 4.1Å; V430-T555 WeakPolarHBondContact O-CB 3.37Å; V430-T555 VanDerWaalsContact O-CG2 3.25Å; V430-T555 WeakPolarHBondContact O-CG2 3.24Å; V430-T555 PolarHBondContact O-OG1 3.35Å; V430-S556 PolarHBondContact N-O 3.3Å
431	E	75	Confident	66.4	Low	178 Å²	178	93.2 Å²	93.2	83%	0.832	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-70.5	143.5	169.7	-69	-160.3	132.4	0	0	110.9	E429 F433	E429-E431 PolarHBondContact O-N 3.12Å; E431-F433 PolarHBondContact O-N 3.35Å
432	A	73.4	Confident	69.3	Low	31 Å²	31	88.4 Å²	88.4	26%	0.256	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-72.4	129.4	175.7	0	0	0	0	0	110.3	C434 C553 T555	A432-C434 PolarHBondContact O-N 3.19Å; A432-C434 VanDerWaalsContact O-N 3.12Å; A432-C553 HydrophobicContact CB-CB 4.03Å; A432-T555 HydrophobicContact CB-CG2 3.92Å
433	F	75.9	Confident	71.8	Confident	85 Å²	85	81.8 Å²	81.8	37%	0.373	46%	0.458	S	S	.	.	S	Bend	trans	-68.3	-8.2	-179.7	61.3	-99.2	0	0	0	114.5	E431 H520 S522 V530	E431-F433 PolarHBondContact O-N 3.35Å; F433-H520 HydrophobicContact CE2-CB 3.93Å; F433-H520 HydrophobicContact CZ-CB 3.78Å; F433-S522 WeakPolarHBondContact CE1-O 3.21Å; F433-V530 HydrophobicContact CD1-CG2 4.27Å; F433-V530 HydrophobicContact CE1-CB 4.27Å; F433-V530 HydrophobicContact CE1-CG2 3.62Å; F433-V530 HydrophobicContact CE2-CB 4.16Å; F433-V530 HydrophobicContact CE2-CG2 3.97Å; F433-V530 HydrophobicContact CZ-CB 3.65Å; F433-V530 HydrophobicContact CZ-CG2 3.44Å; F433-V530 VanDerWaalsContact CZ-CG2 3.44Å
434	C	73	Confident	74.7	Confident	27 Å²	27	77.9 Å²	77.9	18%	0.182	44%	0.442	C	S	.	.	S	Bend	trans	-116.2	138.7	174.1	-80.6	0	0	0	0	109.9	A432 V530	A432-C434 PolarHBondContact O-N 3.19Å; A432-C434 VanDerWaalsContact O-N 3.12Å; C434-V530 HydrophobicContact CB-CG1 4.23Å
435	S	79.8	Confident	77.2	Confident	93 Å²	93	71.2 Å²	71.2	65%	0.65	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-65.7	156.1	168.5	67.1	0	0	0	0	111.5	R551	S435-R551 WeakPolarHBondContact O-CD 3.45Å; S435-R551 PolarHBondContact O-NH1 3.36Å
436	D	84.8	Confident	79.6	Confident	53 Å²	53	65.9 Å²	65.9	28%	0.283	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.3	159.3	163.8	-61.6	-32.3	0	0	0	110.8	R565	D436-R565 IonicContact OD1-CZ 3.56Å; D436-R565 IonicContact OD1-NE 2.76Å; D436-R565 PolarHBondContact OD1-NE 3.26Å; D436-R565 IonicContact OD1-NH2 3.56Å; D436-R565 PolarHBondContact OD1-NH2 3.49Å; D436-R565 IonicContact OD2-CZ 3.05Å; D436-R565 IonicContact OD2-NE 2.69Å; D436-R565 IonicContact OD2-NH2 2.67Å; D436-R565 PolarHBondContact OD2-NH2 2.79Å
437	L	87.5	Confident	82	Confident	38 Å²	38	60.5 Å²	60.5	20%	0.199	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-72.4	159.1	172.8	-60.5	177	0	0	0	112	G439 V549 R551 S567 D569	L437-G439 PolarHBondContact O-N 3.47Å; L437-G439 VanDerWaalsContact O-N 3.16Å; L437-V549 HydrophobicContact CD1-CB 4.39Å; L437-V549 HydrophobicContact CD1-CG1 4Å; L437-V549 WeakPolarHBondContact CD1-O 3.43Å; L437-R551 HydrophobicContact CD1-CB 3.85Å; L437-R551 HydrophobicContact CD2-CB 4.24Å; L437-R551 HydrophobicContact CG-CB 3.75Å; L437-S567 PolarHBondContact N-OG 2.86Å; L437-D569 HydrophobicContact CB-CB 4.31Å; L437-D569 HydrophobicContact CD1-CB 4.5Å
438	S	83	Confident	84.3	Confident	114 Å²	114	62.1 Å²	62.1	80%	0.797	35%	0.353	S	S	*	.	S	Bend	trans	-66.8	-9.7	-178.2	34.3	0	0	0	0	116	D569	S438-D569 WeakPolarHBondContact CB-OD2 3.45Å; S438-D569 PolarHBondContact OG-OD2 3Å
439	G	88.1	Confident	86	Confident	31 Å²	31	60.1 Å²	60.1	32%	0.32	33%	0.329	S	S	.	.	S	Bend	trans	-85.9	-103.7	-176.7	0	0	0	0	0	113.8	L437 S568 D569	L437-G439 PolarHBondContact O-N 3.47Å; L437-G439 VanDerWaalsContact O-N 3.16Å; G439-S568 CarbonylContact C-O 3.55Å; G439-S568 VanDerWaalsContact CA-O 3.26Å; G439-S568 WeakPolarHBondContact CA-O 3.38Å; G439-D569 PolarHBondContact N-OD2 2.79Å; G439-D569 VanDerWaalsContact N-OD2 3.12Å
440	R	93	Very high	87.1	Confident	106 Å²	106	59.3 Å²	59.3	40%	0.4	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.3	-177.8	-59.2	-174.6	-167.6	-168.7	-0.7	111.5	N442 S567 S568 W589 E593	R440-N442 PolarHBondContact O-OD1 3.31Å; R440-S567 CarbonylContact O-C 3.55Å; R440-S567 VanDerWaalsContact O-CA 3.26Å; R440-S567 WeakPolarHBondContact O-CA 3.26Å; R440-S568 PolarHBondContact N-O 2.89Å; R440-S568 PolarHBondContact O-N 2.85Å; R440-W589 HydrophobicContact CB-CE3 4.31Å; R440-W589 HydrophobicContact CB-CH2 3.86Å; R440-W589 HydrophobicContact CB-CZ3 3.65Å; R440-W589 HydrophobicContact CG-CD2 4.33Å; R440-W589 HydrophobicContact CG-CE3 4.02Å; R440-W589 HydrophobicContact CG-CH2 3.65Å; R440-W589 HydrophobicContact CG-CZ2 3.97Å; R440-W589 HydrophobicContact CG-CZ3 3.66Å; R440-W589 VanDerWaalsContact CZ-CG 3.47Å; R440-W589 VanDerWaalsContact NH2-CD1 3.3Å; R440-E593 WeakPolarHBondContact CD-OE1 3.4Å; R440-E593 IonicContact CZ-OE1 3.37Å; R440-E593 IonicContact NE-OE1 3.8Å; R440-E593 IonicContact NH1-OE1 3.84Å; R440-E593 PolarHBondContact NH1-OE1 2.82Å
441	L	94.4	Very high	87.8	Confident	76 Å²	76	57.2 Å²	57.2	40%	0.398	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.5	165.7	-173.2	64.8	0	0	0	108.3	I443 N444 R565	L441-I443 WeakPolarHBondContact CD1-O 3.34Å; L441-N444 HydrophobicContact CD2-CB 3.9Å; L441-N444 HydrophobicContact CG-CB 4.25Å; L441-R565 HydrophobicContact CD1-CB 4.45Å
442	N	94.8	Very high	88.7	Confident	30 Å²	30	50.5 Å²	50.5	16%	0.16	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-32.1	-174.3	-65.5	111.7	0	0	0	113.6	R440 V566 S568 Y596	R440-N442 PolarHBondContact O-OD1 3.31Å; N442-V566 PolarHBondContact N-O 3.04Å; N442-S568 VanDerWaalsContact OD1-CB 3.24Å; N442-S568 WeakPolarHBondContact OD1-CB 3.46Å; N442-S568 PolarHBondContact OD1-OG 3.43Å; N442-Y596 HydrophobicContact CB-CD2 3.75Å; N442-Y596 HydrophobicContact CB-CG 4.01Å
443	I	95.3	Very high	89.5	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.4	173.6	-53.6	-179.7	0	0	0	108.1	L441 L564 R565 V566 Y596 M599 E600	L441-I443 WeakPolarHBondContact CD1-O 3.34Å; I443-L564 HydrophobicContact CD1-CD2 4.27Å; I443-L564 HydrophobicContact CG2-CB 4.47Å; I443-L564 HydrophobicContact CG2-CD2 4.2Å; I443-L564 HydrophobicContact CG2-CG 4.11Å; I443-R565 VanDerWaalsContact O-CA 3.31Å; I443-R565 WeakPolarHBondContact O-CA 3.24Å; I443-V566 HydrophobicContact CB-CB 4.15Å; I443-V566 HydrophobicContact CB-CG2 4.12Å; I443-V566 HydrophobicContact CD1-CB 4.45Å; I443-V566 HydrophobicContact CD1-CG2 3.99Å; I443-V566 HydrophobicContact CG1-CB 4.29Å; I443-V566 HydrophobicContact CG1-CG2 4.28Å; I443-V566 PolarHBondContact N-O 2.73Å; I443-V566 PolarHBondContact O-N 2.86Å; I443-Y596 HydrophobicContact CD1-CD1 3.86Å; I443-Y596 HydrophobicContact CD1-CG 4.33Å; I443-Y596 WeakPolarHBondContact CD1-O 3.04Å; I443-Y596 HydrophobicContact CG1-CD1 4.41Å; I443-Y596 HydrophobicContact CG1-CG 4.44Å; I443-M599 HydrophobicContact CD1-CB 4.47Å; I443-M599 HydrophobicContact CD1-SD 4.37Å; I443-E600 HydrophobicContact CD1-CB 4.18Å; I443-E600 HydrophobicContact CG1-CB 4.46Å
444	N	94.9	Very high	90.4	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	72.7	170.9	-177.7	20.5	0	0	0	110.3	L441 L564 R565	L441-N444 HydrophobicContact CD2-CB 3.9Å; L441-N444 HydrophobicContact CG-CB 4.25Å; N444-L564 WeakPolarHBondContact CA-O 3.38Å; N444-R565 WeakPolarHBondContact OD1-CG 3.29Å
445	T	93.6	Very high	91.3	Very high	37 Å²	37	50.8 Å²	50.8	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.6	-162.9	-68.8	0	0	0	0	111.5	L564 E600	T445-L564 PolarHBondContact N-O 3.31Å; T445-L564 PolarHBondContact O-N 2.77Å; T445-E600 WeakPolarHBondContact CB-OE1 3.4Å; T445-E600 PolarHBondContact OG1-OE1 3.24Å
446	A	93.9	Very high	91.9	Very high	40 Å²	40	50.2 Å²	50.2	33%	0.331	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.2	-178.8	0	0	0	0	0	110.7	I557 S562	A446-I557 HydrophobicContact CB-CD1 3.73Å; A446-S562 CarbonylContact C-O 3.53Å; A446-S562 WeakPolarHBondContact CA-O 3.39Å
447	V	93.6	Very high	92.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.2	-169.2	-171.6	0	0	0	0	109.2	M449 K561 S562 V603 E607	V447-M449 HydrophobicContact CB-CG 4.41Å; V447-M449 HydrophobicContact CG1-CE 3.74Å; V447-M449 HydrophobicContact CG1-CG 3.81Å; V447-M449 HydrophobicContact CG1-SD 4.15Å; V447-M449 PolarHBondContact O-N 2.96Å; V447-K561 WeakPolarHBondContact O-CA 3.27Å; V447-S562 PolarHBondContact N-O 2.79Å; V447-S562 PolarHBondContact O-N 2.79Å; V447-V603 HydrophobicContact CG1-CG1 3.83Å; V447-V603 HydrophobicContact CG2-CG1 3.89Å; V447-E607 WeakPolarHBondContact CA-OE2 3.42Å; V447-E607 HydrophobicContact CG1-CB 3.91Å; V447-E607 HydrophobicContact CG1-CG 4.28Å; V447-E607 VanDerWaalsContact CG1-OE2 3.26Å; V447-E607 WeakPolarHBondContact CG1-OE2 3.43Å
448	R	92	Very high	92.4	Very high	140 Å²	140	48.3 Å²	48.3	53%	0.528	26%	0.258	S	S	.	.	S	Bend	trans	-78.5	60.7	178.7	-61.7	-175.7	-63.5	-75.7	14.3	113.1	H560 E607 Q611	R448-H560 CarbonylContact C-O 3.52Å; R448-H560 VanDerWaalsContact CA-O 3.31Å; R448-H560 WeakPolarHBondContact CA-O 3.45Å; R448-E607 HydrophobicContact CB-CG 4.21Å; R448-E607 WeakPolarHBondContact CB-OE1 3.48Å; R448-E607 WeakPolarHBondContact CG-OE1 3.25Å; R448-E607 IonicContact CZ-OE1 2.95Å; R448-E607 PolarHBondContact N-OE1 3.21Å; R448-E607 PolarHBondContact N-OE2 3.15Å; R448-E607 IonicContact NE-OE1 3.65Å; R448-E607 PolarHBondContact NE-OE1 3.01Å; R448-E607 IonicContact NH1-OE1 3.31Å; R448-E607 PolarHBondContact NH1-OE1 3.49Å; R448-E607 IonicContact NH2-OE1 3.59Å; R448-Q611 VanDerWaalsContact CZ-OE1 3.26Å; R448-Q611 VanDerWaalsContact NE-CD 3.34Å; R448-Q611 VanDerWaalsContact NE-NE2 3.17Å
449	M	92.3	Very high	92.9	Very high	10 Å²	10	43 Å²	43	5%	0.049	22%	0.22	C	C	.	.	S	Bend	trans	-139.1	159.5	164.9	60.7	-178.1	67.3	0	0	110.2	V447 K453 L454 L457 H560 K561 S562 E607 L610	V447-M449 HydrophobicContact CB-CG 4.41Å; V447-M449 HydrophobicContact CG1-CE 3.74Å; V447-M449 HydrophobicContact CG1-CG 3.81Å; V447-M449 HydrophobicContact CG1-SD 4.15Å; V447-M449 PolarHBondContact O-N 2.96Å; M449-K453 HydrophobicContact CB-CB 4.36Å; M449-L454 HydrophobicContact CG-CB 4.06Å; M449-L454 HydrophobicContact SD-CB 3.88Å; M449-L454 HydrophobicContact SD-CD1 3.89Å; M449-L454 HydrophobicContact SD-CG 4.49Å; M449-L457 HydrophobicContact CE-CD2 4.23Å; M449-L457 HydrophobicContact SD-CD2 4.26Å; M449-H560 PolarHBondContact N-O 3.29Å; M449-H560 VanDerWaalsContact N-O 3.15Å; M449-H560 CarbonylContact O-C 3.08Å; M449-K561 CarbonylContact O-C 3.54Å; M449-K561 WeakPolarHBondContact O-CA 3.35Å; M449-K561 PolarHBondContact O-N 2.82Å; M449-S562 PolarHBondContact O-N 3.17Å; M449-S562 VanDerWaalsContact O-N 3.14Å; M449-S562 PolarHBondContact O-OG 2.68Å; M449-E607 HydrophobicContact CE-CB 4.37Å; M449-L610 HydrophobicContact CE-CD1 4.04Å
450	S	92.6	Very high	92.8	Very high	31 Å²	31	43.4 Å²	43.4	22%	0.217	22%	0.219	C	C	.	.			trans	-66.4	151.1	174	58.5	0	0	0	0	110.9	D452 K453 L454 K559	S450-D452 PolarHBondContact O-N 3.07Å; S450-K453 PolarHBondContact O-N 2.73Å; S450-K453 WeakPolarHBondContact OG-CG 3.38Å; S450-K453 PolarHBondContact OG-N 2.79Å; S450-L454 PolarHBondContact O-N 3.4Å; S450-K559 WeakPolarHBondContact CB-O 3.41Å
451	V	93.8	Very high	92.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-31.8	-177.7	76.4	0	0	0	0	112.4	L454 H455 G526 Y529 L554	V451-L454 PolarHBondContact O-N 3.28Å; V451-H455 WeakPolarHBondContact O-CB 3.35Å; V451-H455 PolarHBondContact O-N 2.98Å; V451-G526 VanDerWaalsContact CG1-O 3.3Å; V451-G526 WeakPolarHBondContact CG1-O 3.32Å; V451-Y529 HydrophobicContact CG1-CE2 4.26Å; V451-Y529 HydrophobicContact CG2-CD2 4.17Å; V451-L554 HydrophobicContact CG2-CB 3.79Å
452	D	92.5	Very high	91.8	Very high	38 Å²	38	43.5 Å²	43.5	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-43.9	171	-68.3	-20.6	0	0	0	112.2	S450 L454 H455 D456 G526 Y529	S450-D452 PolarHBondContact O-N 3.07Å; D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 2.66Å; D452-H455 WeakPolarHBondContact O-CB 3.33Å; D452-H455 PolarHBondContact O-N 3.07Å; D452-D456 WeakPolarHBondContact O-CB 3.46Å; D452-D456 PolarHBondContact O-N 3.42Å; D452-G526 WeakPolarHBondContact OD1-CA 3.35Å; D452-G526 PolarHBondContact OD1-N 3.12Å; D452-Y529 VanDerWaalsContact OD1-CE2 3.29Å; D452-Y529 WeakPolarHBondContact OD1-CE2 3.15Å; D452-Y529 PolarHBondContact OD1-OH 2.95Å
453	K	91.4	Very high	91.4	Very high	129 Å²	129	43.4 Å²	43.4	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-66	-36.4	176.8	-80	-172.7	174	-166	0	112.1	M449 S450 L457	M449-K453 HydrophobicContact CB-CB 4.36Å; S450-K453 PolarHBondContact O-N 2.73Å; S450-K453 WeakPolarHBondContact OG-CG 3.38Å; S450-K453 PolarHBondContact OG-N 2.79Å; K453-L457 VanDerWaalsContact O-CB 3.26Å; K453-L457 WeakPolarHBondContact O-CB 3.33Å; K453-L457 PolarHBondContact O-N 3.23Å
454	L	93.3	Very high	91.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-40.2	174.6	-177.9	63.6	0	0	0	111.4	M449 S450 V451 D452 L458 L554 L564 V603	M449-L454 HydrophobicContact CG-CB 4.06Å; M449-L454 HydrophobicContact SD-CB 3.88Å; M449-L454 HydrophobicContact SD-CD1 3.89Å; M449-L454 HydrophobicContact SD-CG 4.49Å; S450-L454 PolarHBondContact O-N 3.4Å; V451-L454 PolarHBondContact O-N 3.28Å; D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 2.66Å; L454-L458 HydrophobicContact CD1-CD1 4.17Å; L454-L458 HydrophobicContact CD1-CG 4.5Å; L454-L458 HydrophobicContact CG-CD1 4.48Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.16Å; L454-L458 PolarHBondContact O-N 2.93Å; L454-L554 HydrophobicContact CB-CD2 4.23Å; L454-L554 HydrophobicContact CD2-CB 4.44Å; L454-L554 HydrophobicContact CD2-CD2 4.05Å; L454-L554 HydrophobicContact CD2-CG 3.86Å; L454-L554 HydrophobicContact CG-CD2 3.76Å; L454-L554 HydrophobicContact CG-CG 4.11Å; L454-L564 HydrophobicContact CD2-CB 4.07Å; L454-V603 HydrophobicContact CD1-CG1 4.24Å
455	H	93.3	Very high	90.9	Very high	20 Å²	20	47 Å²	47	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-52.6	172.2	169	-85.7	0	0	0	110.5	V451 D452 L457 L458 F459 Y529 L554	V451-H455 WeakPolarHBondContact O-CB 3.35Å; V451-H455 PolarHBondContact O-N 2.98Å; D452-H455 WeakPolarHBondContact O-CB 3.33Å; D452-H455 PolarHBondContact O-N 3.07Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 3.36Å; H455-L458 PolarHBondContact O-N 3.43Å; H455-L458 VanDerWaalsContact O-N 3.08Å; H455-F459 WeakPolarHBondContact O-CA 3.31Å; H455-F459 WeakPolarHBondContact O-CB 3.37Å; H455-F459 PolarHBondContact O-N 3.36Å; H455-Y529 HydrophobicContact CB-CD2 3.68Å; H455-Y529 HydrophobicContact CB-CE2 3.76Å; H455-Y529 HydrophobicContact CB-CG 4.16Å; H455-Y529 AromaticContact CD2-CD1 3.61Å; H455-Y529 AromaticContact CD2-CG 3.65Å; H455-L554 HydrophobicContact CB-CD2 4.03Å
456	D	91.6	Very high	90.8	Very high	80 Å²	80	45.9 Å²	45.9	43%	0.428	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-36.6	-175.7	-65	-12.4	0	0	0	111.7	D452 L458 S460	D452-D456 WeakPolarHBondContact O-CB 3.46Å; D452-D456 PolarHBondContact O-N 3.42Å; D456-L458 PolarHBondContact O-N 3Å; D456-S460 WeakPolarHBondContact O-CB 3.33Å; D456-S460 PolarHBondContact O-N 3.37Å; D456-S460 VanDerWaalsContact O-N 3.12Å
457	L	91.6	Very high	90.6	Very high	43 Å²	43	48.6 Å²	48.6	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-31.4	174.2	-177.9	65.2	0	0	0	113.5	M449 K453 H455 F465 L606	M449-L457 HydrophobicContact CE-CD2 4.23Å; M449-L457 HydrophobicContact SD-CD2 4.26Å; K453-L457 VanDerWaalsContact O-CB 3.26Å; K453-L457 WeakPolarHBondContact O-CB 3.33Å; K453-L457 PolarHBondContact O-N 3.23Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 3.36Å; L457-F465 HydrophobicContact CD1-CB 3.63Å; L457-F465 HydrophobicContact CD1-CD1 4.47Å; L457-F465 HydrophobicContact CD1-CD2 3.99Å; L457-F465 HydrophobicContact CD1-CG 3.76Å; L457-F465 HydrophobicContact CG-CB 4.29Å; L457-F465 HydrophobicContact CG-CD1 4.25Å; L457-F465 HydrophobicContact CG-CD2 4.32Å; L457-F465 HydrophobicContact CG-CG 4Å; L457-F465 WeakPolarHBondContact O-CB 3.42Å; L457-F465 WeakPolarHBondContact O-CD1 3.2Å; L457-L606 HydrophobicContact CD1-CD1 3.81Å; L457-L606 HydrophobicContact CD2-CD1 4.06Å
458	L	92.4	Very high	90.5	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-103.4	-27.8	-174.7	-60.6	-173.8	0	0	0	113.7	L454 H455 D456 F465 L564 M599 V603	L454-L458 HydrophobicContact CD1-CD1 4.17Å; L454-L458 HydrophobicContact CD1-CG 4.5Å; L454-L458 HydrophobicContact CG-CD1 4.48Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.16Å; L454-L458 PolarHBondContact O-N 2.93Å; H455-L458 PolarHBondContact O-N 3.43Å; H455-L458 VanDerWaalsContact O-N 3.08Å; D456-L458 PolarHBondContact O-N 3Å; L458-F465 HydrophobicContact CD2-CD1 3.74Å; L458-F465 HydrophobicContact CD2-CE1 3.33Å; L458-F465 HydrophobicContact CD2-CZ 4.2Å; L458-L564 HydrophobicContact CD1-CD1 4.01Å; L458-L564 HydrophobicContact CD1-CD2 4.37Å; L458-M599 HydrophobicContact CD1-CE 3.91Å; L458-M599 HydrophobicContact CD2-CE 3.45Å; L458-M599 VanDerWaalsContact CD2-CE 3.45Å; L458-M599 HydrophobicContact CG-CE 4.24Å; L458-V603 HydrophobicContact CD2-CG2 4.47Å
459	F	92.3	Very high	90.4	Very high	3 Å²	3	46 Å²	46	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-132.6	1.1	-164.2	-60.5	-64.3	0	0	0	115.2	H455 W483 R494 V531 Y552 L554	H455-F459 WeakPolarHBondContact O-CA 3.31Å; H455-F459 WeakPolarHBondContact O-CB 3.37Å; H455-F459 PolarHBondContact O-N 3.36Å; F459-W483 HydrophobicContact CB-CZ2 4.17Å; F459-W483 HydrophobicContact CD1-CZ2 4.32Å; F459-W483 PolarHBondContact O-NE1 3.06Å; F459-R494 PolarHBondContact O-NH1 3.26Å; F459-R494 VanDerWaalsContact O-NH1 3.15Å; F459-V531 HydrophobicContact CD1-CG1 4.26Å; F459-V531 HydrophobicContact CD1-CG2 4.22Å; F459-V531 HydrophobicContact CD2-CG2 4.13Å; F459-V531 HydrophobicContact CE1-CB 4Å; F459-V531 HydrophobicContact CE1-CG1 3.79Å; F459-V531 HydrophobicContact CE1-CG2 4.09Å; F459-V531 HydrophobicContact CE2-CB 4.36Å; F459-V531 HydrophobicContact CE2-CG2 3.99Å; F459-V531 HydrophobicContact CG-CG2 4.25Å; F459-V531 HydrophobicContact CZ-CB 3.9Å; F459-V531 HydrophobicContact CZ-CG1 4.19Å; F459-V531 HydrophobicContact CZ-CG2 3.98Å; F459-Y552 HydrophobicContact CE1-CD2 4.49Å; F459-Y552 HydrophobicContact CZ-CD1 4.01Å; F459-Y552 AromaticContact CZ-CD2 4Å; F459-Y552 HydrophobicContact CZ-CD2 4Å; F459-Y552 AromaticContact CZ-CG 3.71Å; F459-Y552 HydrophobicContact CZ-CG 3.71Å; F459-L554 HydrophobicContact CE2-CD1 4.09Å; F459-L554 HydrophobicContact CE2-CD2 4.34Å
460	S	86.4	Confident	90.4	Very high	40 Å²	40	45.7 Å²	45.7	28%	0.28	24%	0.244	S	C	.	.	S	Bend	trans	-66.3	176.7	173.3	-172.5	0	0	0	0	113	D456 D462 R494	D456-S460 WeakPolarHBondContact O-CB 3.33Å; D456-S460 PolarHBondContact O-N 3.37Å; D456-S460 VanDerWaalsContact O-N 3.12Å; S460-D462 VanDerWaalsContact C-N 3.35Å; S460-D462 PolarHBondContact OG-N 2.96Å; S460-R494 PolarHBondContact O-NH1 2.65Å
461	A	80.4	Confident	90.2	Very high	89 Å²	89	47.3 Å²	47.3	74%	0.736	26%	0.255	S	S	*	.	S	Bend	trans	-78.6	-18.2	163.1	0	0	0	0	0	112.5	T463	A461-T463 PolarHBondContact O-N 3.14Å
462	D	84.6	Confident	89.7	Confident	95 Å²	95	51.8 Å²	51.8	51%	0.508	28%	0.276	S	S	.	.			trans	-69.2	115.7	164.3	-173.6	-8.7	0	0	0	108.9	S460 H464	S460-D462 VanDerWaalsContact C-N 3.35Å; S460-D462 PolarHBondContact OG-N 2.96Å; D462-H464 WeakPolarHBondContact OD1-CB 3.36Å; D462-H464 IonicContact OD1-CD2 3.14Å; D462-H464 PolarHBondContact OD1-CD2 2.84Å; D462-H464 IonicContact OD1-CG 3.43Å; D462-H464 PolarHBondContact OD1-N 2.75Å; D462-H464 IonicContact OD2-CD2 3.86Å
463	T	87.4	Confident	89.3	Confident	27 Å²	27	52 Å²	52	17%	0.166	27%	0.274	C	S	.	.			trans	-101.6	4.5	-177.1	52.8	0	0	0	0	113.1	A461 F465 I466 Q467 V480	A461-T463 PolarHBondContact O-N 3.14Å; T463-F465 VanDerWaalsContact C-N 3.29Å; T463-F465 PolarHBondContact O-N 2.91Å; T463-I466 PolarHBondContact O-N 3.04Å; T463-I466 VanDerWaalsContact O-N 3.07Å; T463-Q467 WeakPolarHBondContact O-CB 3.4Å; T463-Q467 WeakPolarHBondContact O-CG 3.26Å; T463-Q467 PolarHBondContact O-N 2.79Å; T463-Q467 PolarHBondContact OG1-NE2 2.95Å; T463-V480 HydrophobicContact CG2-CB 4.14Å; T463-V480 HydrophobicContact CG2-CG1 4.43Å; T463-V480 HydrophobicContact CG2-CG2 3.73Å
464	H	89.7	Confident	89.1	Confident	136 Å²	136	53 Å²	53	63%	0.63	28%	0.281	S	S	*	.	H	α-helix	trans	-54.4	-40.5	-175.8	-82.9	-54.9	0	0	0	113.7	D462 H468	D462-H464 WeakPolarHBondContact OD1-CB 3.36Å; D462-H464 IonicContact OD1-CD2 3.14Å; D462-H464 PolarHBondContact OD1-CD2 2.84Å; D462-H464 IonicContact OD1-CG 3.43Å; D462-H464 PolarHBondContact OD1-N 2.75Å; D462-H464 IonicContact OD2-CD2 3.86Å; H464-H468 WeakPolarHBondContact O-CB 3.33Å; H464-H468 PolarHBondContact O-N 2.88Å
465	F	90.9	Very high	89	Confident	17 Å²	17	54.5 Å²	54.5	8%	0.075	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-48.1	175.6	175.9	-106.1	0	0	0	112.6	L457 L458 T463 Q467 H468 L469 E602 V603 L606	L457-F465 HydrophobicContact CD1-CB 3.63Å; L457-F465 HydrophobicContact CD1-CD1 4.47Å; L457-F465 HydrophobicContact CD1-CD2 3.99Å; L457-F465 HydrophobicContact CD1-CG 3.76Å; L457-F465 HydrophobicContact CG-CB 4.29Å; L457-F465 HydrophobicContact CG-CD1 4.25Å; L457-F465 HydrophobicContact CG-CD2 4.32Å; L457-F465 HydrophobicContact CG-CG 4Å; L457-F465 WeakPolarHBondContact O-CB 3.42Å; L457-F465 WeakPolarHBondContact O-CD1 3.2Å; L458-F465 HydrophobicContact CD2-CD1 3.74Å; L458-F465 HydrophobicContact CD2-CE1 3.33Å; L458-F465 HydrophobicContact CD2-CZ 4.2Å; T463-F465 VanDerWaalsContact C-N 3.29Å; T463-F465 PolarHBondContact O-N 2.91Å; F465-Q467 PolarHBondContact O-N 3.49Å; F465-H468 PolarHBondContact O-N 3.43Å; F465-L469 HydrophobicContact CE1-CD2 4.34Å; F465-L469 WeakPolarHBondContact O-CB 3.44Å; F465-L469 PolarHBondContact O-N 2.93Å; F465-E602 HydrophobicContact CE2-CB 3.72Å; F465-E602 HydrophobicContact CZ-CB 4.2Å; F465-V603 HydrophobicContact CE2-CG2 4.37Å; F465-V603 HydrophobicContact CZ-CG2 3.8Å; F465-L606 HydrophobicContact CD2-CD1 3.45Å; F465-L606 VanDerWaalsContact CD2-CD1 3.45Å; F465-L606 HydrophobicContact CE2-CD1 3.78Å; F465-L606 HydrophobicContact CG-CD1 4.49Å
466	I	89.9	Confident	89	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-179.3	-53.7	178.1	0	0	0	109.9	T463 H468 L469 F470 L478	T463-I466 PolarHBondContact O-N 3.04Å; T463-I466 VanDerWaalsContact O-N 3.07Å; I466-H468 VanDerWaalsContact C-N 3.33Å; I466-H468 PolarHBondContact O-N 3.14Å; I466-L469 PolarHBondContact O-N 3.09Å; I466-F470 HydrophobicContact CG2-CD1 3.82Å; I466-F470 HydrophobicContact CG2-CE1 3.59Å; I466-F470 HydrophobicContact CG2-CE2 4.39Å; I466-F470 HydrophobicContact CG2-CG 4.34Å; I466-F470 HydrophobicContact CG2-CZ 3.91Å; I466-F470 VanDerWaalsContact O-CB 3.25Å; I466-F470 WeakPolarHBondContact O-CB 3.49Å; I466-F470 WeakPolarHBondContact O-CD1 3.21Å; I466-F470 WeakPolarHBondContact O-CG 3.41Å; I466-F470 PolarHBondContact O-N 3.07Å; I466-L478 HydrophobicContact CB-CD2 4.31Å; I466-L478 HydrophobicContact CG2-CD2 3.75Å
467	Q	90.5	Very high	89	Confident	97 Å²	97	58.5 Å²	58.5	45%	0.453	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-41.8	174.3	-70.6	-180	15.9	0	0	112	T463 F465 F470 S471 L478	T463-Q467 WeakPolarHBondContact O-CB 3.4Å; T463-Q467 WeakPolarHBondContact O-CG 3.26Å; T463-Q467 PolarHBondContact O-N 2.79Å; T463-Q467 PolarHBondContact OG1-NE2 2.95Å; F465-Q467 PolarHBondContact O-N 3.49Å; Q467-F470 PolarHBondContact O-N 2.98Å; Q467-S471 WeakPolarHBondContact O-CB 3.4Å; Q467-S471 PolarHBondContact O-N 3.08Å; Q467-L478 HydrophobicContact CG-CD2 4.02Å
468	H	90.6	Very high	89.1	Confident	85 Å²	85	58.6 Å²	58.6	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-51.5	175.5	-171.2	75.1	0	0	0	111.3	H464 F465 I466 F470 S471 Q472	H464-H468 WeakPolarHBondContact O-CB 3.33Å; H464-H468 PolarHBondContact O-N 2.88Å; F465-H468 PolarHBondContact O-N 3.43Å; I466-H468 VanDerWaalsContact C-N 3.33Å; I466-H468 PolarHBondContact O-N 3.14Å; H468-F470 VanDerWaalsContact C-N 3.26Å; H468-F470 PolarHBondContact O-N 3.43Å; H468-S471 PolarHBondContact O-N 2.99Å; H468-S471 VanDerWaalsContact O-N 3.12Å; H468-S471 PolarHBondContact O-OG 3.32Å; H468-Q472 PolarHBondContact CE1-NE2 3.02Å; H468-Q472 PolarHBondContact NE2-NE2 3.18Å; H468-Q472 WeakPolarHBondContact O-CG 3.38Å; H468-Q472 PolarHBondContact O-N 3.32Å
469	L	90.8	Very high	89.1	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-40.2	177.7	-179.5	62.6	0	0	0	111.9	F465 I466 Q472 R473 Y595 N598 M599 E602	F465-L469 HydrophobicContact CE1-CD2 4.34Å; F465-L469 WeakPolarHBondContact O-CB 3.44Å; F465-L469 PolarHBondContact O-N 2.93Å; I466-L469 PolarHBondContact O-N 3.09Å; L469-Q472 PolarHBondContact O-N 2.93Å; L469-R473 WeakPolarHBondContact O-CG 3.41Å; L469-Y595 HydrophobicContact CD2-CE2 3.95Å; L469-Y595 HydrophobicContact CG-CE2 4.29Å; L469-N598 HydrophobicContact CD1-CB 4.25Å; L469-M599 HydrophobicContact CD1-CB 4.31Å; L469-M599 HydrophobicContact CD2-CB 3.99Å; L469-M599 HydrophobicContact CD2-CG 3.89Å; L469-E602 HydrophobicContact CD1-CG 4.21Å
470	F	91.6	Very high	89.1	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-69.5	-37.6	178.6	-83.8	34.2	0	0	0	112	I466 Q467 H468 Q472 R473 H474 F475 L478 Y498 Y595	I466-F470 HydrophobicContact CG2-CD1 3.82Å; I466-F470 HydrophobicContact CG2-CE1 3.59Å; I466-F470 HydrophobicContact CG2-CE2 4.39Å; I466-F470 HydrophobicContact CG2-CG 4.34Å; I466-F470 HydrophobicContact CG2-CZ 3.91Å; I466-F470 VanDerWaalsContact O-CB 3.25Å; I466-F470 WeakPolarHBondContact O-CB 3.49Å; I466-F470 WeakPolarHBondContact O-CD1 3.21Å; I466-F470 WeakPolarHBondContact O-CG 3.41Å; I466-F470 PolarHBondContact O-N 3.07Å; Q467-F470 PolarHBondContact O-N 2.98Å; H468-F470 VanDerWaalsContact C-N 3.26Å; H468-F470 PolarHBondContact O-N 3.43Å; F470-Q472 VanDerWaalsContact C-N 3.3Å; F470-Q472 PolarHBondContact O-N 2.93Å; F470-R473 CarbonylContact O-C 3.36Å; F470-R473 PolarHBondContact O-N 3.37Å; F470-H474 PolarHBondContact O-N 2.89Å; F470-H474 VanDerWaalsContact O-N 3.11Å; F470-F475 HydrophobicContact CB-CB 3.84Å; F470-F475 HydrophobicContact CD1-CD2 4.04Å; F470-F475 HydrophobicContact CD2-CB 3.64Å; F470-F475 HydrophobicContact CD2-CD2 4.04Å; F470-F475 HydrophobicContact CD2-CG 4.39Å; F470-F475 HydrophobicContact CE1-CD2 4.14Å; F470-F475 HydrophobicContact CE2-CB 4.36Å; F470-F475 HydrophobicContact CE2-CD2 4.15Å; F470-F475 HydrophobicContact CG-CB 3.83Å; F470-F475 AromaticContact CG-CD2 3.98Å; F470-F475 HydrophobicContact CG-CD2 3.98Å; F470-F475 HydrophobicContact CG-CG 4.4Å; F470-F475 HydrophobicContact CZ-CD2 4.2Å; F470-F475 PolarHBondContact O-N 3.43Å; F470-L478 HydrophobicContact CD2-CB 4.25Å; F470-L478 HydrophobicContact CD2-CD1 4.41Å; F470-L478 HydrophobicContact CD2-CD2 4.1Å; F470-L478 HydrophobicContact CD2-CG 4.49Å; F470-L478 HydrophobicContact CE2-CB 4.45Å; F470-L478 HydrophobicContact CE2-CD1 3.85Å; F470-L478 HydrophobicContact CE2-CD2 4.25Å; F470-L478 HydrophobicContact CE2-CG 4.41Å; F470-Y498 AromaticContact CE2-CD1 3.77Å; F470-Y498 HydrophobicContact CE2-CD1 3.77Å; F470-Y498 AromaticContact CE2-CD2 3.74Å; F470-Y498 HydrophobicContact CE2-CD2 3.74Å; F470-Y498 HydrophobicContact CE2-CE1 4.27Å; F470-Y498 HydrophobicContact CE2-CE2 4.24Å; F470-Y498 AromaticContact CE2-CG 3.48Å; F470-Y498 HydrophobicContact CE2-CG 3.48Å; F470-Y498 VanDerWaalsContact CE2-CG 3.48Å; F470-Y498 HydrophobicContact CZ-CD1 4.03Å; F470-Y498 HydrophobicContact CZ-CD2 4.12Å; F470-Y498 HydrophobicContact CZ-CE1 4.06Å; F470-Y498 HydrophobicContact CZ-CE2 4.15Å; F470-Y498 HydrophobicContact CZ-CG 4.07Å; F470-Y595 HydrophobicContact CE1-CE2 4.35Å
471	S	88.2	Confident	89.4	Confident	64 Å²	64	62.7 Å²	62.7	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-37.4	175.4	77.1	0	0	0	0	112.4	Q467 H468 R473 H474	Q467-S471 WeakPolarHBondContact O-CB 3.4Å; Q467-S471 PolarHBondContact O-N 3.08Å; H468-S471 PolarHBondContact O-N 2.99Å; H468-S471 VanDerWaalsContact O-N 3.12Å; H468-S471 PolarHBondContact O-OG 3.32Å; S471-R473 PolarHBondContact O-N 3.42Å; S471-H474 PolarHBondContact O-N 2.62Å
472	Q	83.9	Confident	89.9	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.444	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	174.5	-56.8	-64.7	-12.3	0	0	113.5	H468 L469 F470	H468-Q472 PolarHBondContact CE1-NE2 3.02Å; H468-Q472 PolarHBondContact NE2-NE2 3.18Å; H468-Q472 WeakPolarHBondContact O-CG 3.38Å; H468-Q472 PolarHBondContact O-N 3.32Å; L469-Q472 PolarHBondContact O-N 2.93Å; F470-Q472 VanDerWaalsContact C-N 3.3Å; F470-Q472 PolarHBondContact O-N 2.93Å
473	R	83.8	Confident	90.3	Very high	44 Å²	44	65.7 Å²	65.7	17%	0.166	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	0.8	179.5	-58.9	-62.8	-66.2	164.4	-0.9	113.2	L469 F470 S471 F475 E594	L469-R473 WeakPolarHBondContact O-CG 3.41Å; F470-R473 CarbonylContact O-C 3.36Å; F470-R473 PolarHBondContact O-N 3.37Å; S471-R473 PolarHBondContact O-N 3.42Å; R473-F475 HydrophobicContact CB-CD1 3.62Å; R473-F475 HydrophobicContact CB-CD2 4.19Å; R473-F475 HydrophobicContact CB-CE1 3.65Å; R473-F475 HydrophobicContact CB-CE2 4.21Å; R473-F475 HydrophobicContact CB-CG 3.91Å; R473-F475 HydrophobicContact CB-CZ 3.95Å; R473-F475 HydrophobicContact CG-CZ 4.44Å; R473-F475 WeakPolarHBondContact O-CD1 3.45Å; R473-F475 PolarHBondContact O-N 3.14Å; R473-E594 IonicContact CZ-OE1 3.2Å; R473-E594 IonicContact CZ-OE2 3.62Å; R473-E594 IonicContact NH1-OE1 2.67Å; R473-E594 PolarHBondContact NH1-OE1 3.22Å; R473-E594 IonicContact NH1-OE2 3.3Å; R473-E594 PolarHBondContact NH1-OE2 2.99Å; R473-E594 IonicContact NH2-OE1 2.67Å; R473-E594 IonicContact NH2-OE2 3.72Å; R473-E594 PolarHBondContact NH2-OE2 3.36Å
474	H	87.2	Confident	90.4	Very high	149 Å²	149	70.9 Å²	70.9	69%	0.69	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-167.5	-51.8	-58.5	0	0	0	113.5	F470 S471 A501	F470-H474 PolarHBondContact O-N 2.89Å; F470-H474 VanDerWaalsContact O-N 3.11Å; S471-H474 PolarHBondContact O-N 2.62Å; H474-A501 HydrophobicContact CB-CB 4.27Å
475	F	92.3	Very high	90.3	Very high	32 Å²	32	71.4 Å²	71.4	14%	0.14	36%	0.362	C	S	.	.			trans	-82.8	135.8	170.9	-65.3	-0.4	0	0	0	109.1	F470 R473 Y498 T499 I500 Y595	F470-F475 HydrophobicContact CB-CB 3.84Å; F470-F475 HydrophobicContact CD1-CD2 4.04Å; F470-F475 HydrophobicContact CD2-CB 3.64Å; F470-F475 HydrophobicContact CD2-CD2 4.04Å; F470-F475 HydrophobicContact CD2-CG 4.39Å; F470-F475 HydrophobicContact CE1-CD2 4.14Å; F470-F475 HydrophobicContact CE2-CB 4.36Å; F470-F475 HydrophobicContact CE2-CD2 4.15Å; F470-F475 HydrophobicContact CG-CB 3.83Å; F470-F475 AromaticContact CG-CD2 3.98Å; F470-F475 HydrophobicContact CG-CD2 3.98Å; F470-F475 HydrophobicContact CG-CG 4.4Å; F470-F475 HydrophobicContact CZ-CD2 4.2Å; F470-F475 PolarHBondContact O-N 3.43Å; R473-F475 HydrophobicContact CB-CD1 3.62Å; R473-F475 HydrophobicContact CB-CD2 4.19Å; R473-F475 HydrophobicContact CB-CE1 3.65Å; R473-F475 HydrophobicContact CB-CE2 4.21Å; R473-F475 HydrophobicContact CB-CG 3.91Å; R473-F475 HydrophobicContact CB-CZ 3.95Å; R473-F475 HydrophobicContact CG-CZ 4.44Å; R473-F475 WeakPolarHBondContact O-CD1 3.45Å; R473-F475 PolarHBondContact O-N 3.14Å; F475-Y498 HydrophobicContact CD2-CD2 4.46Å; F475-T499 CarbonylContact C-O 3.58Å; F475-T499 VanDerWaalsContact CA-O 3.25Å; F475-T499 WeakPolarHBondContact CA-O 3.33Å; F475-I500 HydrophobicContact CD1-CB 3.9Å; F475-I500 HydrophobicContact CD1-CG2 3.92Å; F475-I500 HydrophobicContact CD2-CG2 3.91Å; F475-I500 HydrophobicContact CE1-CB 3.66Å; F475-I500 HydrophobicContact CE1-CG2 3.74Å; F475-I500 HydrophobicContact CE2-CG2 3.73Å; F475-I500 HydrophobicContact CG-CB 4.45Å; F475-I500 HydrophobicContact CG-CG2 4.01Å; F475-I500 HydrophobicContact CZ-CB 4.02Å; F475-I500 HydrophobicContact CZ-CG2 3.64Å; F475-Y595 HydrophobicContact CE2-CD2 4.28Å; F475-Y595 HydrophobicContact CE2-CE2 4.33Å
476	T	92.1	Very high	89.8	Confident	70 Å²	70	73.9 Å²	73.9	43%	0.429	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	175.3	-174.4	58.6	0	0	0	0	111.7	L478 T499	T476-L478 PolarHBondContact O-N 2.76Å; T476-L478 VanDerWaalsContact O-N 3.1Å; T476-T499 PolarHBondContact N-O 3.4Å; T476-T499 PolarHBondContact O-N 2.65Å; T476-T499 WeakPolarHBondContact OG1-CB 3.36Å
477	D	91.6	Very high	88.7	Confident	113 Å²	113	77 Å²	77	60%	0.604	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60	27.6	167.1	-39	-57	0	0	0	115.1	S479 T499	D477-S479 PolarHBondContact O-N 3.07Å; D477-S479 VanDerWaalsContact O-N 3.15Å; D477-T499 WeakPolarHBondContact OD2-CB 3.48Å; D477-T499 PolarHBondContact OD2-OG1 3.21Å
478	L	93.8	Very high	87.5	Confident	46 Å²	46	76.9 Å²	76.9	24%	0.241	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	113.6	178.6	176.4	60	0	0	0	111.2	I466 Q467 F470 T476 V480 S497 Y498	I466-L478 HydrophobicContact CB-CD2 4.31Å; I466-L478 HydrophobicContact CG2-CD2 3.75Å; Q467-L478 HydrophobicContact CG-CD2 4.02Å; F470-L478 HydrophobicContact CD2-CB 4.25Å; F470-L478 HydrophobicContact CD2-CD1 4.41Å; F470-L478 HydrophobicContact CD2-CD2 4.1Å; F470-L478 HydrophobicContact CD2-CG 4.49Å; F470-L478 HydrophobicContact CE2-CB 4.45Å; F470-L478 HydrophobicContact CE2-CD1 3.85Å; F470-L478 HydrophobicContact CE2-CD2 4.25Å; F470-L478 HydrophobicContact CE2-CG 4.41Å; T476-L478 PolarHBondContact O-N 2.76Å; T476-L478 VanDerWaalsContact O-N 3.1Å; L478-V480 HydrophobicContact CD1-CG2 3.7Å; L478-V480 HydrophobicContact CD2-CG2 4.45Å; L478-V480 HydrophobicContact CG-CG2 4.03Å; L478-S497 CarbonylContact C-O 3.47Å; L478-S497 WeakPolarHBondContact CA-O 3.21Å; L478-Y498 HydrophobicContact CD1-CD1 4.2Å
479	S	93.1	Very high	86.4	Confident	63 Å²	63	75.2 Å²	75.2	44%	0.441	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.3	161.1	97.9	0	0	0	0	109.6	D477 L496 S497	D477-S479 PolarHBondContact O-N 3.07Å; D477-S479 VanDerWaalsContact O-N 3.15Å; S479-L496 WeakPolarHBondContact O-CA 3.27Å; S479-S497 PolarHBondContact N-O 2.67Å; S479-S497 PolarHBondContact O-N 2.67Å; S479-S497 PolarHBondContact OG-OG 3.26Å
480	V	93.2	Very high	85.5	Confident	44 Å²	44	76 Å²	76	27%	0.267	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	117	-178.9	178.8	0	0	0	0	107.7	T463 L478 L496	T463-V480 HydrophobicContact CG2-CB 4.14Å; T463-V480 HydrophobicContact CG2-CG1 4.43Å; T463-V480 HydrophobicContact CG2-CG2 3.73Å; L478-V480 HydrophobicContact CD1-CG2 3.7Å; L478-V480 HydrophobicContact CD2-CG2 4.45Å; L478-V480 HydrophobicContact CG-CG2 4.03Å; V480-L496 HydrophobicContact CB-CG 4.37Å; V480-L496 HydrophobicContact CG1-CG 4.14Å; V480-L496 HydrophobicContact CG2-CD2 3.99Å; V480-L496 HydrophobicContact CG2-CG 4.01Å
481	G	91.6	Very high	85.1	Confident	29 Å²	29	77.4 Å²	77.4	30%	0.299	44%	0.443	S	S	.	.			trans	-73.4	154.1	171.9	0	0	0	0	0	112	R494 V495	G481-R494 WeakPolarHBondContact O-CB 3.39Å; G481-R494 WeakPolarHBondContact O-CD 3.39Å; G481-V495 WeakPolarHBondContact CA-O 3.48Å; G481-V495 PolarHBondContact N-O 3.3Å
482	E	92.1	Very high	85.2	Confident	170 Å²	170	75.6 Å²	75.6	79%	0.794	43%	0.43	S	S	*	.			trans	-68.4	154.8	173.1	-61.1	-173.1	144.9	0	0	111.5	Q484	E482-Q484 PolarHBondContact O-N 2.98Å
483	W	91.3	Very high	85.7	Confident	77 Å²	77	73.1 Å²	73.1	29%	0.292	42%	0.424	S	S	.	.			trans	-69.2	108.6	174.9	-74.4	107	0	0	0	110.7	F459 S492 R494 Q517 L519 V531	F459-W483 HydrophobicContact CB-CZ2 4.17Å; F459-W483 HydrophobicContact CD1-CZ2 4.32Å; F459-W483 PolarHBondContact O-NE1 3.06Å; W483-S492 WeakPolarHBondContact CZ3-O 3.42Å; W483-R494 HydrophobicContact CD2-CB 4.13Å; W483-R494 HydrophobicContact CD2-CG 3.85Å; W483-R494 VanDerWaalsContact CE2-CD 3.48Å; W483-R494 HydrophobicContact CE3-CB 4.05Å; W483-R494 HydrophobicContact CE3-CG 3.86Å; W483-R494 HydrophobicContact CH2-CG 4.01Å; W483-R494 HydrophobicContact CZ2-CG 3.99Å; W483-R494 HydrophobicContact CZ3-CB 4.5Å; W483-R494 HydrophobicContact CZ3-CG 3.94Å; W483-Q517 HydrophobicContact CH2-CB 3.92Å; W483-Q517 HydrophobicContact CZ3-CB 4.42Å; W483-L519 HydrophobicContact CE3-CB 4.43Å; W483-L519 HydrophobicContact CH2-CB 3.94Å; W483-L519 HydrophobicContact CZ3-CB 3.77Å; W483-V531 HydrophobicContact CH2-CG1 4.22Å
484	Q	89.8	Confident	86.2	Confident	136 Å²	136	71.1 Å²	71.1	64%	0.636	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.9	174	-71.1	167.4	81.6	0	0	109.3	E482 S492 S493	E482-Q484 PolarHBondContact O-N 2.98Å; Q484-S492 CarbonylContact O-C 3.59Å; Q484-S492 WeakPolarHBondContact O-CA 3.4Å; Q484-S493 PolarHBondContact N-O 2.89Å; Q484-S493 PolarHBondContact O-N 3.45Å
485	Q	87.8	Confident	86.6	Confident	147 Å²	147	67.3 Å²	67.3	69%	0.687	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.4	176.5	-169.1	170.8	33.1	0	0	109.9	G487	Q485-G487 PolarHBondContact O-N 3.12Å
486	D	81.1	Confident	86.8	Confident	70 Å²	70	65.9 Å²	65.9	37%	0.374	40%	0.397	S	S	.	.			trans	-73.9	115.3	172.6	167.2	35.3	0	0	0	110	A488 S489 G490 T491	D486-A488 PolarHBondContact O-N 2.59Å; D486-A488 WeakPolarHBondContact OD1-CB 3.32Å; D486-A488 PolarHBondContact OD1-N 2.92Å; D486-S489 WeakPolarHBondContact OD2-CB 3.31Å; D486-S489 PolarHBondContact OD2-N 3.16Å; D486-S489 PolarHBondContact OD2-OG 3.03Å; D486-G490 VanDerWaalsContact O-CA 3.25Å; D486-G490 WeakPolarHBondContact O-CA 3.33Å; D486-G490 PolarHBondContact O-N 3.34Å; D486-T491 PolarHBondContact N-O 3.2Å
487	G	66.2	Low	86.9	Confident	81 Å²	81	64.6 Å²	64.6	84%	0.835	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.3	178.7	0	0	0	0	0	114.8	Q485	Q485-G487 PolarHBondContact O-N 3.12Å
488	A	65.8	Low	87.1	Confident	93 Å²	93	60.1 Å²	60.1	77%	0.769	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-51	178.9	0	0	0	0	0	112.5	D486	D486-A488 PolarHBondContact O-N 2.59Å; D486-A488 WeakPolarHBondContact OD1-CB 3.32Å; D486-A488 PolarHBondContact OD1-N 2.92Å
489	S	67.2	Low	87.2	Confident	51 Å²	51	59.2 Å²	59.2	36%	0.357	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-30.9	177.8	65.5	0	0	0	0	113	D486 T491 K521	D486-S489 WeakPolarHBondContact OD2-CB 3.31Å; D486-S489 PolarHBondContact OD2-N 3.16Å; D486-S489 PolarHBondContact OD2-OG 3.03Å; S489-T491 VanDerWaalsContact C-N 3.32Å; S489-T491 WeakPolarHBondContact CB-OG1 3.26Å; S489-T491 VanDerWaalsContact OG-CB 3.28Å; S489-T491 WeakPolarHBondContact OG-CB 3.38Å; S489-T491 PolarHBondContact OG-N 2.9Å; S489-T491 VanDerWaalsContact OG-N 3.16Å; S489-T491 PolarHBondContact OG-OG1 2.93Å; S489-K521 WeakPolarHBondContact O-CD 3.25Å; S489-K521 PolarHBondContact O-NZ 3.32Å
490	G	72.3	Confident	87.2	Confident	19 Å²	19	57.4 Å²	57.4	20%	0.196	35%	0.347	C	S	.	.			trans	76.6	19.2	-167	0	0	0	0	0	113.6	D486 K521	D486-G490 VanDerWaalsContact O-CA 3.25Å; D486-G490 WeakPolarHBondContact O-CA 3.33Å; D486-G490 PolarHBondContact O-N 3.34Å; G490-K521 WeakPolarHBondContact O-CG 3.35Å
491	T	83.7	Confident	86.9	Confident	33 Å²	33	57.4 Å²	57.4	20%	0.202	35%	0.352	C	S	.	.			trans	-94.1	146.3	174.7	-38.3	0	0	0	0	108.8	D486 S489 T518 L519	D486-T491 PolarHBondContact N-O 3.2Å; S489-T491 VanDerWaalsContact C-N 3.32Å; S489-T491 WeakPolarHBondContact CB-OG1 3.26Å; S489-T491 VanDerWaalsContact OG-CB 3.28Å; S489-T491 WeakPolarHBondContact OG-CB 3.38Å; S489-T491 PolarHBondContact OG-N 2.9Å; S489-T491 VanDerWaalsContact OG-N 3.16Å; S489-T491 PolarHBondContact OG-OG1 2.93Å; T491-T518 HydrophobicContact CG2-CG2 3.44Å; T491-T518 VanDerWaalsContact CG2-CG2 3.44Å; T491-L519 WeakPolarHBondContact CG2-O 3.43Å
492	S	90.2	Very high	86.6	Confident	25 Å²	25	58.1 Å²	58.1	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.7	174.1	-64.3	0	0	0	0	110.4	W483 Q484 T518 L519	W483-S492 WeakPolarHBondContact CZ3-O 3.42Å; Q484-S492 CarbonylContact O-C 3.59Å; Q484-S492 WeakPolarHBondContact O-CA 3.4Å; S492-T518 CarbonylContact O-C 3.57Å; S492-T518 WeakPolarHBondContact O-CA 3.28Å; S492-L519 PolarHBondContact N-O 3.04Å; S492-L519 PolarHBondContact O-N 2.97Å
493	S	93.2	Very high	85.7	Confident	43 Å²	43	58.3 Å²	58.3	30%	0.301	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.6	177.9	64.1	0	0	0	0	112.8	Q484 Q517	Q484-S493 PolarHBondContact N-O 2.89Å; Q484-S493 PolarHBondContact O-N 3.45Å; S493-Q517 CarbonylContact C-O 3.52Å; S493-Q517 WeakPolarHBondContact CA-O 3.38Å; S493-Q517 WeakPolarHBondContact CB-O 3.41Å
494	R	94.7	Very high	84.5	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.011	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.2	170.8	65.9	173.9	-176.1	178	6	110.9	F459 S460 G481 W483 L496 Q517	F459-R494 PolarHBondContact O-NH1 3.26Å; F459-R494 VanDerWaalsContact O-NH1 3.15Å; S460-R494 PolarHBondContact O-NH1 2.65Å; G481-R494 WeakPolarHBondContact O-CB 3.39Å; G481-R494 WeakPolarHBondContact O-CD 3.39Å; W483-R494 HydrophobicContact CD2-CB 4.13Å; W483-R494 HydrophobicContact CD2-CG 3.85Å; W483-R494 VanDerWaalsContact CE2-CD 3.48Å; W483-R494 HydrophobicContact CE3-CB 4.05Å; W483-R494 HydrophobicContact CE3-CG 3.86Å; W483-R494 HydrophobicContact CH2-CG 4.01Å; W483-R494 HydrophobicContact CZ2-CG 3.99Å; W483-R494 HydrophobicContact CZ3-CB 4.5Å; W483-R494 HydrophobicContact CZ3-CG 3.94Å; R494-L496 HydrophobicContact CG-CD1 3.94Å; R494-Q517 HydrophobicContact CG-CB 4.03Å; R494-Q517 VanDerWaalsContact CZ-OE1 3.28Å; R494-Q517 PolarHBondContact N-O 3.45Å; R494-Q517 PolarHBondContact O-N 3.45Å
495	V	95.9	Very high	82.8	Confident	69 Å²	69	56.8 Å²	56.8	42%	0.418	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	176.6	-178.1	0	0	0	0	109.4	G481 V514 E515 T516	G481-V495 WeakPolarHBondContact CA-O 3.48Å; G481-V495 PolarHBondContact N-O 3.3Å; V495-V514 HydrophobicContact CG1-CG1 3.69Å; V495-E515 CarbonylContact C-O 3.42Å; V495-E515 WeakPolarHBondContact CA-O 3.38Å; V495-T516 HydrophobicContact CG2-CG2 4.39Å
496	L	95.4	Very high	80.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.3	171.2	-64.8	73.1	0	0	0	108.5	S479 V480 R494 Y498 E515 Q517	S479-L496 WeakPolarHBondContact O-CA 3.27Å; V480-L496 HydrophobicContact CB-CG 4.37Å; V480-L496 HydrophobicContact CG1-CG 4.14Å; V480-L496 HydrophobicContact CG2-CD2 3.99Å; V480-L496 HydrophobicContact CG2-CG 4.01Å; R494-L496 HydrophobicContact CG-CD1 3.94Å; L496-Y498 HydrophobicContact CB-CD1 4.38Å; L496-Y498 HydrophobicContact CB-CE1 4.39Å; L496-E515 HydrophobicContact CB-CB 4.26Å; L496-E515 PolarHBondContact N-O 3.25Å; L496-E515 PolarHBondContact O-N 3.31Å; L496-Q517 HydrophobicContact CD1-CB 4.47Å; L496-Q517 HydrophobicContact CD1-CG 3.91Å
497	S	96	Very high	80	Confident	43 Å²	43	56.1 Å²	56.1	30%	0.301	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.1	170.7	70.5	0	0	0	0	109.9	L478 S479 V513	L478-S497 CarbonylContact C-O 3.47Å; L478-S497 WeakPolarHBondContact CA-O 3.21Å; S479-S497 PolarHBondContact N-O 2.67Å; S479-S497 PolarHBondContact O-N 2.67Å; S479-S497 PolarHBondContact OG-OG 3.26Å; S497-V513 WeakPolarHBondContact CA-O 3.48Å
498	Y	95.8	Very high	80.5	Confident	19 Å²	19	54.8 Å²	54.8	8%	0.075	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.5	177.6	49.2	-91.2	0	0	0	111.5	F470 F475 L478 L496 I500 V513 E515	F470-Y498 AromaticContact CE2-CD1 3.77Å; F470-Y498 HydrophobicContact CE2-CD1 3.77Å; F470-Y498 AromaticContact CE2-CD2 3.74Å; F470-Y498 HydrophobicContact CE2-CD2 3.74Å; F470-Y498 HydrophobicContact CE2-CE1 4.27Å; F470-Y498 HydrophobicContact CE2-CE2 4.24Å; F470-Y498 AromaticContact CE2-CG 3.48Å; F470-Y498 HydrophobicContact CE2-CG 3.48Å; F470-Y498 VanDerWaalsContact CE2-CG 3.48Å; F470-Y498 HydrophobicContact CZ-CD1 4.03Å; F470-Y498 HydrophobicContact CZ-CD2 4.12Å; F470-Y498 HydrophobicContact CZ-CE1 4.06Å; F470-Y498 HydrophobicContact CZ-CE2 4.15Å; F470-Y498 HydrophobicContact CZ-CG 4.07Å; F475-Y498 HydrophobicContact CD2-CD2 4.46Å; L478-Y498 HydrophobicContact CD1-CD1 4.2Å; L496-Y498 HydrophobicContact CB-CD1 4.38Å; L496-Y498 HydrophobicContact CB-CE1 4.39Å; Y498-I500 HydrophobicContact CD2-CG2 3.69Å; Y498-I500 HydrophobicContact CE2-CG2 3.62Å; Y498-V513 HydrophobicContact CD2-CB 3.92Å; Y498-V513 HydrophobicContact CD2-CG1 4.37Å; Y498-V513 HydrophobicContact CD2-CG2 4.38Å; Y498-V513 HydrophobicContact CE1-CG1 4.22Å; Y498-V513 HydrophobicContact CE2-CB 3.69Å; Y498-V513 HydrophobicContact CE2-CG1 3.68Å; Y498-V513 HydrophobicContact CE2-CG2 4.07Å; Y498-V513 HydrophobicContact CG-CB 4.48Å; Y498-V513 PolarHBondContact N-O 3.22Å; Y498-V513 VanDerWaalsContact N-O 3.08Å; Y498-V513 PolarHBondContact O-N 2.97Å; Y498-E515 HydrophobicContact CE1-CB 3.94Å; Y498-E515 PolarHBondContact OH-OE2 3.42Å
499	T	94.5	Very high	81.3	Confident	26 Å²	26	58.4 Å²	58.4	16%	0.16	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.3	175.2	-56.8	0	0	0	0	109.4	F475 T476 D477 T510 A511	F475-T499 CarbonylContact C-O 3.58Å; F475-T499 VanDerWaalsContact CA-O 3.25Å; F475-T499 WeakPolarHBondContact CA-O 3.33Å; T476-T499 PolarHBondContact N-O 3.4Å; T476-T499 PolarHBondContact O-N 2.65Å; T476-T499 WeakPolarHBondContact OG1-CB 3.36Å; D477-T499 WeakPolarHBondContact OD2-CB 3.48Å; D477-T499 PolarHBondContact OD2-OG1 3.21Å; T499-T510 HydrophobicContact CG2-CG2 4.06Å; T499-A511 WeakPolarHBondContact CA-O 3.21Å
500	I	93.1	Very high	82.5	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.128	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.7	173.2	65.1	173.9	0	0	0	111.4	F475 Y498 L502 T510 A511 V513 T537	F475-I500 HydrophobicContact CD1-CB 3.9Å; F475-I500 HydrophobicContact CD1-CG2 3.92Å; F475-I500 HydrophobicContact CD2-CG2 3.91Å; F475-I500 HydrophobicContact CE1-CB 3.66Å; F475-I500 HydrophobicContact CE1-CG2 3.74Å; F475-I500 HydrophobicContact CE2-CG2 3.73Å; F475-I500 HydrophobicContact CG-CB 4.45Å; F475-I500 HydrophobicContact CG-CG2 4.01Å; F475-I500 HydrophobicContact CZ-CB 4.02Å; F475-I500 HydrophobicContact CZ-CG2 3.64Å; Y498-I500 HydrophobicContact CD2-CG2 3.69Å; Y498-I500 HydrophobicContact CE2-CG2 3.62Å; I500-L502 HydrophobicContact CD1-CD2 3.82Å; I500-L502 HydrophobicContact CG1-CD2 4.09Å; I500-L502 HydrophobicContact CG1-CG 4.48Å; I500-T510 CarbonylContact O-C 3.47Å; I500-T510 WeakPolarHBondContact O-CA 3.43Å; I500-A511 HydrophobicContact CG1-CB 4.05Å; I500-A511 WeakPolarHBondContact CG1-O 3.43Å; I500-A511 PolarHBondContact N-O 3.41Å; I500-A511 PolarHBondContact O-N 2.96Å; I500-V513 HydrophobicContact CB-CG2 4.37Å; I500-V513 HydrophobicContact CD1-CG2 3.86Å; I500-V513 HydrophobicContact CG1-CG2 3.83Å; I500-V513 HydrophobicContact CG2-CG2 3.73Å; I500-T537 HydrophobicContact CD1-CG2 3.97Å
501	A	87.9	Confident	83.4	Confident	44 Å²	44	58.8 Å²	58.8	36%	0.364	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.5	169	0	0	0	0	0	110.9	H474	H474-A501 HydrophobicContact CB-CB 4.27Å
502	L	84.5	Confident	84	Confident	44 Å²	44	60.9 Å²	60.9	23%	0.23	36%	0.357	C	S	.	.			trans	-121.9	119.8	-175.8	-66.1	-178.6	0	0	0	111.9	I500 N504 K509 A511 I540	I500-L502 HydrophobicContact CD1-CD2 3.82Å; I500-L502 HydrophobicContact CG1-CD2 4.09Å; I500-L502 HydrophobicContact CG1-CG 4.48Å; L502-N504 PolarHBondContact O-N 3.29Å; L502-K509 PolarHBondContact N-O 3.06Å; L502-A511 HydrophobicContact CD1-CB 3.64Å; L502-A511 HydrophobicContact CG-CB 4.26Å; L502-I540 HydrophobicContact CD1-CG2 3.63Å
503	N	73.9	Confident	84.4	Confident	174 Å²	174	59.9 Å²	59.9	93%	0.93	35%	0.35	S	S	*	.			trans	-82.2	57.6	174.4	-165.8	3.5	0	0	0	111.7
504	N	64.8	Low	84.6	Confident	60 Å²	60	60.8 Å²	60.8	32%	0.321	35%	0.354	S	S	.	.			trans	-111.4	117.3	-179	-176.1	-6.6	0	0	0	111.1	L502 L506 G507	L502-N504 PolarHBondContact O-N 3.29Å; N504-L506 VanDerWaalsContact C-N 3.27Å; N504-L506 PolarHBondContact O-N 3.06Å; N504-L506 PolarHBondContact OD1-N 3.13Å; N504-G507 PolarHBondContact OD1-N 3.12Å
505	P	54.7	Low	84.7	Confident	122 Å²	122	61 Å²	61	79%	0.792	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.3	-178.4	30.8	-36.8	0	0	0	114.7
506	L	47.2	Very low	84.8	Confident	170 Å²	170	59.9 Å²	59.9	89%	0.89	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	30.3	-176.1	-69.3	170.7	0	0	0	112.6	N504	N504-L506 VanDerWaalsContact C-N 3.27Å; N504-L506 PolarHBondContact O-N 3.06Å; N504-L506 PolarHBondContact OD1-N 3.13Å
507	G	63.9	Low	84.8	Confident	32 Å²	32	60.1 Å²	60.1	33%	0.33	35%	0.349	S	S	.	.	S	Bend	trans	-146.6	-172.7	177.5	0	0	0	0	0	112.8	N504	N504-G507 PolarHBondContact OD1-N 3.12Å
508	P	75.1	Confident	84.7	Confident	54 Å²	54	60.2 Å²	60.2	35%	0.351	35%	0.348	S	S	.	.			trans	-63.8	139.3	173.4	30	-35.2	0	0	0	110.1	T510	P508-T510 WeakPolarHBondContact CB-O 3.37Å; P508-T510 PolarHBondContact O-N 3.31Å
509	K	84.4	Confident	84.6	Confident	169 Å²	169	60.8 Å²	60.8	74%	0.735	35%	0.352	S	S	*	.	S	Bend	trans	-75.4	-12	-179.5	-65	-175.3	178.2	-177.3	0	113.4	L502	L502-K509 PolarHBondContact N-O 3.06Å
510	T	90.6	Very high	84.3	Confident	77 Å²	77	61.9 Å²	61.9	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.8	177.1	49.4	0	0	0	0	109.7	T499 I500 P508	T499-T510 HydrophobicContact CG2-CG2 4.06Å; I500-T510 CarbonylContact O-C 3.47Å; I500-T510 WeakPolarHBondContact O-CA 3.43Å; P508-T510 WeakPolarHBondContact CB-O 3.37Å; P508-T510 PolarHBondContact O-N 3.31Å
511	A	92.8	Very high	83.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	173.1	0	0	0	0	0	110.8	T499 I500 L502 T537 S538 I540	T499-A511 WeakPolarHBondContact CA-O 3.21Å; I500-A511 HydrophobicContact CG1-CB 4.05Å; I500-A511 WeakPolarHBondContact CG1-O 3.43Å; I500-A511 PolarHBondContact N-O 3.41Å; I500-A511 PolarHBondContact O-N 2.96Å; L502-A511 HydrophobicContact CD1-CB 3.64Å; L502-A511 HydrophobicContact CG-CB 4.26Å; A511-T537 HydrophobicContact CB-CG2 3.73Å; A511-S538 VanDerWaalsContact CB-O 3.27Å; A511-S538 WeakPolarHBondContact CB-O 3.45Å; A511-I540 HydrophobicContact CB-CG2 3.94Å
512	P	96.4	Very high	83.1	Confident	78 Å²	78	69.3 Å²	69.3	51%	0.506	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.5	168.5	29.1	-31.5	0	0	0	110.4	S538	P512-S538 PolarHBondContact O-N 3.09Å
513	V	97.2	Very high	82.7	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.4	179.7	179.1	0	0	0	0	109	S497 Y498 I500 V535 L536 T537	S497-V513 WeakPolarHBondContact CA-O 3.48Å; Y498-V513 HydrophobicContact CD2-CB 3.92Å; Y498-V513 HydrophobicContact CD2-CG1 4.37Å; Y498-V513 HydrophobicContact CD2-CG2 4.38Å; Y498-V513 HydrophobicContact CE1-CG1 4.22Å; Y498-V513 HydrophobicContact CE2-CB 3.69Å; Y498-V513 HydrophobicContact CE2-CG1 3.68Å; Y498-V513 HydrophobicContact CE2-CG2 4.07Å; Y498-V513 HydrophobicContact CG-CB 4.48Å; Y498-V513 PolarHBondContact N-O 3.22Å; Y498-V513 VanDerWaalsContact N-O 3.08Å; Y498-V513 PolarHBondContact O-N 2.97Å; I500-V513 HydrophobicContact CB-CG2 4.37Å; I500-V513 HydrophobicContact CD1-CG2 3.86Å; I500-V513 HydrophobicContact CG1-CG2 3.83Å; I500-V513 HydrophobicContact CG2-CG2 3.73Å; V513-V535 HydrophobicContact CG1-CG1 3.59Å; V513-L536 WeakPolarHBondContact CA-O 3.35Å; V513-T537 HydrophobicContact CG2-CG2 4.06Å
514	V	97.8	Very high	82.8	Confident	63 Å²	63	62.4 Å²	62.4	38%	0.382	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.5	166.2	-179.1	0	0	0	0	107.5	V495 L536	V495-V514 HydrophobicContact CG1-CG1 3.69Å; V514-L536 PolarHBondContact N-O 3.1Å; V514-L536 PolarHBondContact O-N 2.88Å
515	E	97.1	Very high	83.4	Confident	7 Å²	7	69.1 Å²	69.1	3%	0.033	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.6	177.4	174.4	-177	-172.7	0	0	109.1	V495 L496 Y498 Q517 S533 E534 V535	V495-E515 CarbonylContact C-O 3.42Å; V495-E515 WeakPolarHBondContact CA-O 3.38Å; L496-E515 HydrophobicContact CB-CB 4.26Å; L496-E515 PolarHBondContact N-O 3.25Å; L496-E515 PolarHBondContact O-N 3.31Å; Y498-E515 HydrophobicContact CE1-CB 3.94Å; Y498-E515 PolarHBondContact OH-OE2 3.42Å; E515-Q517 VanDerWaalsContact CD-NE2 3.33Å; E515-Q517 HydrophobicContact CG-CG 3.99Å; E515-Q517 WeakPolarHBondContact OE1-CG 3.26Å; E515-Q517 PolarHBondContact OE1-NE2 3.03Å; E515-S533 VanDerWaalsContact CD-OG 3.28Å; E515-S533 VanDerWaalsContact CG-OG 3.3Å; E515-S533 WeakPolarHBondContact CG-OG 3.47Å; E515-S533 WeakPolarHBondContact OE1-CB 3.41Å; E515-S533 PolarHBondContact OE1-OG 2.87Å; E515-E534 CarbonylContact C-O 3.53Å; E515-E534 WeakPolarHBondContact CA-O 3.26Å; E515-V535 HydrophobicContact CB-CG2 4.14Å; E515-V535 HydrophobicContact CG-CG2 3.83Å
516	T	96.8	Very high	84.5	Confident	45 Å²	45	64.7 Å²	64.7	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.3	175.1	-56.9	0	0	0	0	109.2	V495 S533 E534	V495-T516 HydrophobicContact CG2-CG2 4.39Å; T516-S533 WeakPolarHBondContact O-CA 3.43Å; T516-E534 PolarHBondContact N-O 3.36Å; T516-E534 PolarHBondContact O-N 3.46Å
517	Q	96.6	Very high	86.3	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.037	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.3	178.9	-65.3	-177.7	-10.8	0	0	110.3	W483 S493 R494 L496 E515 V531 D532	W483-Q517 HydrophobicContact CH2-CB 3.92Å; W483-Q517 HydrophobicContact CZ3-CB 4.42Å; S493-Q517 CarbonylContact C-O 3.52Å; S493-Q517 WeakPolarHBondContact CA-O 3.38Å; S493-Q517 WeakPolarHBondContact CB-O 3.41Å; R494-Q517 HydrophobicContact CG-CB 4.03Å; R494-Q517 VanDerWaalsContact CZ-OE1 3.28Å; R494-Q517 PolarHBondContact N-O 3.45Å; R494-Q517 PolarHBondContact O-N 3.45Å; L496-Q517 HydrophobicContact CD1-CB 4.47Å; L496-Q517 HydrophobicContact CD1-CG 3.91Å; E515-Q517 VanDerWaalsContact CD-NE2 3.33Å; E515-Q517 HydrophobicContact CG-CG 3.99Å; E515-Q517 WeakPolarHBondContact OE1-CG 3.26Å; E515-Q517 PolarHBondContact OE1-NE2 3.03Å; Q517-V531 HydrophobicContact CB-CG1 4.09Å; Q517-D532 CarbonylContact C-O 3.56Å; Q517-D532 WeakPolarHBondContact CA-O 3.44Å
518	T	94.6	Very high	87.6	Confident	45 Å²	45	60 Å²	60	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.3	-172.7	-57	0	0	0	0	109.6	T491 S492 V531 D532	T491-T518 HydrophobicContact CG2-CG2 3.44Å; T491-T518 VanDerWaalsContact CG2-CG2 3.44Å; S492-T518 CarbonylContact O-C 3.57Å; S492-T518 WeakPolarHBondContact O-CA 3.28Å; T518-V531 WeakPolarHBondContact O-CA 3.26Å; T518-D532 PolarHBondContact N-O 2.85Å; T518-D532 PolarHBondContact O-N 2.92Å
519	L	92.6	Very high	88.4	Confident	31 Å²	31	58.4 Å²	58.4	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.8	178.4	175.2	67.2	0	0	0	109.9	W483 T491 S492 C523 Y529 V531	W483-L519 HydrophobicContact CE3-CB 4.43Å; W483-L519 HydrophobicContact CH2-CB 3.94Å; W483-L519 HydrophobicContact CZ3-CB 3.77Å; T491-L519 WeakPolarHBondContact CG2-O 3.43Å; S492-L519 PolarHBondContact N-O 3.04Å; S492-L519 PolarHBondContact O-N 2.97Å; L519-C523 HydrophobicContact CD1-CB 4.43Å; L519-Y529 HydrophobicContact CD1-CD1 4.2Å; L519-V531 HydrophobicContact CB-CG2 4.37Å; L519-V531 HydrophobicContact CD1-CG2 3.7Å
520	H	88.3	Confident	88.9	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.227	27%	0.272	C	S	.	.			trans	-64	144.9	-175.4	-83.6	-103.5	0	0	0	113.2	F433 S522 C523 V530 D532	F433-H520 HydrophobicContact CE2-CB 3.93Å; F433-H520 HydrophobicContact CZ-CB 3.78Å; H520-S522 PolarHBondContact O-N 3.35Å; H520-C523 PolarHBondContact O-N 3.07Å; H520-C523 PolarHBondContact O-SG 3.44Å; H520-V530 HydrophobicContact CB-CB 4.3Å; H520-V530 PolarHBondContact CD2-O 2.81Å; H520-V530 PolarHBondContact N-O 3.39Å; H520-D532 IonicContact CD2-OD2 3.97Å; H520-D532 IonicContact CE1-OD2 3.99Å; H520-D532 IonicContact NE2-OD2 3.69Å; H520-D532 PolarHBondContact NE2-OD2 3.34Å
521	K	80.3	Confident	89.1	Confident	144 Å²	144	46.7 Å²	46.7	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26	179.9	-171.5	174.8	-167.6	169.4	0	114.3	S489 G490 C523	S489-K521 WeakPolarHBondContact O-CD 3.25Å; S489-K521 PolarHBondContact O-NZ 3.32Å; G490-K521 WeakPolarHBondContact O-CG 3.35Å; K521-C523 VanDerWaalsContact C-N 3.3Å; K521-C523 PolarHBondContact O-N 3.38Å
522	S	75.1	Confident	89.2	Confident	81 Å²	81	48 Å²	48	57%	0.566	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	8.9	-175.4	-46.9	0	0	0	0	114.5	F433 H520 S524	F433-S522 WeakPolarHBondContact CE1-O 3.21Å; H520-S522 PolarHBondContact O-N 3.35Å; S522-S524 PolarHBondContact O-N 3.09Å
523	C	77.4	Confident	89.2	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.196	23%	0.232	C	C	.	.			trans	-71.5	115.6	179.7	-60.4	0	0	0	0	111.7	L519 H520 K521 C528 Y529 V530	L519-C523 HydrophobicContact CD1-CB 4.43Å; H520-C523 PolarHBondContact O-N 3.07Å; H520-C523 PolarHBondContact O-SG 3.44Å; K521-C523 VanDerWaalsContact C-N 3.3Å; K521-C523 PolarHBondContact O-N 3.38Å; C523-C528 CarbonylContact C-O 3.58Å; C523-C528 VanDerWaalsContact CA-O 3.25Å; C523-C528 WeakPolarHBondContact CA-O 3.46Å; C523-C528 VanDerWaalsContact CB-O 3.3Å; C523-C528 WeakPolarHBondContact CB-O 3.34Å; C523-Y529 HydrophobicContact CB-CD1 3.92Å; C523-V530 PolarHBondContact SG-N 3.2Å
524	S	75.2	Confident	89.2	Confident	43 Å²	43	47.1 Å²	47.1	30%	0.301	25%	0.245	S	C	.	.			trans	-88.7	120.5	171.2	45.8	0	0	0	0	111.2	S522 G526 E527 C528	S522-S524 PolarHBondContact O-N 3.09Å; S524-G526 PolarHBondContact O-N 3.22Å; S524-E527 WeakPolarHBondContact CB-OE2 3.32Å; S524-E527 PolarHBondContact O-N 3.27Å; S524-E527 VanDerWaalsContact OG-CB 3.28Å; S524-E527 WeakPolarHBondContact OG-CB 3.3Å; S524-E527 PolarHBondContact OG-OE2 2.99Å; S524-C528 PolarHBondContact N-O 3.42Å; S524-C528 PolarHBondContact O-N 3.11Å
525	R	77.1	Confident	89.2	Confident	201 Å²	201	44.7 Å²	44.7	76%	0.758	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	132.4	179.9	177.7	169.4	-168.7	165.7	9.1	111.1	E527 Y529	R525-E527 PolarHBondContact O-N 3.35Å; R525-Y529 WeakPolarHBondContact CG-OH 3.37Å
526	G	78	Confident	89.2	Confident	29 Å²	29	46.7 Å²	46.7	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-5.8	-175	0	0	0	0	0	115.5	V451 D452 S524 S556	V451-G526 VanDerWaalsContact CG1-O 3.3Å; V451-G526 WeakPolarHBondContact CG1-O 3.32Å; D452-G526 WeakPolarHBondContact OD1-CA 3.35Å; D452-G526 PolarHBondContact OD1-N 3.12Å; S524-G526 PolarHBondContact O-N 3.22Å; G526-S556 PolarHBondContact O-OG 3.19Å
527	E	86	Confident	89.1	Confident	101 Å²	101	46.1 Å²	46.1	47%	0.472	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-56.3	-174.7	-71.3	177.4	170.5	0	0	113.3	V430 S524 R525 T555 S556	V430-E527 HydrophobicContact CG2-CB 4.31Å; S524-E527 WeakPolarHBondContact CB-OE2 3.32Å; S524-E527 PolarHBondContact O-N 3.27Å; S524-E527 VanDerWaalsContact OG-CB 3.28Å; S524-E527 WeakPolarHBondContact OG-CB 3.3Å; S524-E527 PolarHBondContact OG-OE2 2.99Å; R525-E527 PolarHBondContact O-N 3.35Å; E527-T555 CarbonylContact O-C 3.5Å; E527-S556 WeakPolarHBondContact O-CB 3.2Å; E527-S556 PolarHBondContact O-N 2.93Å
528	C	90.6	Very high	89	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	136.5	-177.9	-176.1	0	0	0	0	113.3	V430 C523 S524 L554	V430-C528 HydrophobicContact CG1-CB 4.1Å; C523-C528 CarbonylContact C-O 3.58Å; C523-C528 VanDerWaalsContact CA-O 3.25Å; C523-C528 WeakPolarHBondContact CA-O 3.46Å; C523-C528 VanDerWaalsContact CB-O 3.3Å; C523-C528 WeakPolarHBondContact CB-O 3.34Å; S524-C528 PolarHBondContact N-O 3.42Å; S524-C528 PolarHBondContact O-N 3.11Å; C528-L554 CarbonylContact C-O 3.58Å; C528-L554 VanDerWaalsContact CA-O 3.28Å; C528-L554 WeakPolarHBondContact CA-O 3.31Å; C528-L554 PolarHBondContact SG-O 3.25Å; C528-L554 VanDerWaalsContact SG-O 3.4Å
529	Y	92.4	Very high	88.5	Confident	22 Å²	22	48.4 Å²	48.4	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.1	166.4	-59.3	-85.8	0	0	0	110.7	V451 D452 H455 L519 C523 R525 L554	V451-Y529 HydrophobicContact CG1-CE2 4.26Å; V451-Y529 HydrophobicContact CG2-CD2 4.17Å; D452-Y529 VanDerWaalsContact OD1-CE2 3.29Å; D452-Y529 WeakPolarHBondContact OD1-CE2 3.15Å; D452-Y529 PolarHBondContact OD1-OH 2.95Å; H455-Y529 HydrophobicContact CB-CD2 3.68Å; H455-Y529 HydrophobicContact CB-CE2 3.76Å; H455-Y529 HydrophobicContact CB-CG 4.16Å; H455-Y529 AromaticContact CD2-CD1 3.61Å; H455-Y529 AromaticContact CD2-CG 3.65Å; L519-Y529 HydrophobicContact CD1-CD1 4.2Å; C523-Y529 HydrophobicContact CB-CD1 3.92Å; R525-Y529 WeakPolarHBondContact CG-OH 3.37Å; Y529-L554 PolarHBondContact N-O 2.93Å; Y529-L554 PolarHBondContact O-N 3.35Å
530	V	93.4	Very high	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.8	172	-177.3	0	0	0	0	109.1	F433 C434 H520 C523 R551 Y552 C553	F433-V530 HydrophobicContact CD1-CG2 4.27Å; F433-V530 HydrophobicContact CE1-CB 4.27Å; F433-V530 HydrophobicContact CE1-CG2 3.62Å; F433-V530 HydrophobicContact CE2-CB 4.16Å; F433-V530 HydrophobicContact CE2-CG2 3.97Å; F433-V530 HydrophobicContact CZ-CB 3.65Å; F433-V530 HydrophobicContact CZ-CG2 3.44Å; F433-V530 VanDerWaalsContact CZ-CG2 3.44Å; C434-V530 HydrophobicContact CB-CG1 4.23Å; H520-V530 HydrophobicContact CB-CB 4.3Å; H520-V530 PolarHBondContact CD2-O 2.81Å; H520-V530 PolarHBondContact N-O 3.39Å; C523-V530 PolarHBondContact SG-N 3.2Å; V530-R551 HydrophobicContact CG1-CG 4.12Å; V530-Y552 VanDerWaalsContact CA-O 3.31Å; V530-Y552 WeakPolarHBondContact CA-O 3.5Å; V530-C553 HydrophobicContact CG2-CB 4.48Å
531	V	94.6	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.6	176.5	-177.8	0	0	0	0	108.8	F459 W483 Q517 T518 L519 Y552	F459-V531 HydrophobicContact CD1-CG1 4.26Å; F459-V531 HydrophobicContact CD1-CG2 4.22Å; F459-V531 HydrophobicContact CD2-CG2 4.13Å; F459-V531 HydrophobicContact CE1-CB 4Å; F459-V531 HydrophobicContact CE1-CG1 3.79Å; F459-V531 HydrophobicContact CE1-CG2 4.09Å; F459-V531 HydrophobicContact CE2-CB 4.36Å; F459-V531 HydrophobicContact CE2-CG2 3.99Å; F459-V531 HydrophobicContact CG-CG2 4.25Å; F459-V531 HydrophobicContact CZ-CB 3.9Å; F459-V531 HydrophobicContact CZ-CG1 4.19Å; F459-V531 HydrophobicContact CZ-CG2 3.98Å; W483-V531 HydrophobicContact CH2-CG1 4.22Å; Q517-V531 HydrophobicContact CB-CG1 4.09Å; T518-V531 WeakPolarHBondContact O-CA 3.26Å; L519-V531 HydrophobicContact CB-CG2 4.37Å; L519-V531 HydrophobicContact CD1-CG2 3.7Å; V531-Y552 PolarHBondContact N-O 3.42Å; V531-Y552 PolarHBondContact O-N 3.04Å
532	D	95.5	Very high	88.8	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.3	167.7	-73.9	-25.7	0	0	0	109.6	Q517 T518 H520 H550 R551	Q517-D532 CarbonylContact C-O 3.56Å; Q517-D532 WeakPolarHBondContact CA-O 3.44Å; T518-D532 PolarHBondContact N-O 2.85Å; T518-D532 PolarHBondContact O-N 2.92Å; H520-D532 IonicContact CD2-OD2 3.97Å; H520-D532 IonicContact CE1-OD2 3.99Å; H520-D532 IonicContact NE2-OD2 3.69Å; H520-D532 PolarHBondContact NE2-OD2 3.34Å; D532-H550 CarbonylContact C-O 3.53Å; D532-H550 WeakPolarHBondContact CA-O 3.26Å; D532-R551 VanDerWaalsContact OD1-CB 3.3Å; D532-R551 WeakPolarHBondContact OD1-CB 3.44Å; D532-R551 WeakPolarHBondContact OD1-CG 3.45Å; D532-R551 IonicContact OD1-CZ 2.79Å; D532-R551 IonicContact OD1-NE 2.65Å; D532-R551 PolarHBondContact OD1-NE 3.41Å; D532-R551 IonicContact OD1-NH2 3.88Å; D532-R551 PolarHBondContact OD1-NH2 2.84Å; D532-R551 IonicContact OD2-CZ 3.42Å; D532-R551 IonicContact OD2-NE 3.64Å; D532-R551 IonicContact OD2-NH2 2.75Å; D532-R551 PolarHBondContact OD2-NH2 2.68Å
533	S	96.9	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.1	-178.8	161.6	0	0	0	0	109.4	E515 T516 V549 H550	E515-S533 VanDerWaalsContact CD-OG 3.28Å; E515-S533 VanDerWaalsContact CG-OG 3.3Å; E515-S533 WeakPolarHBondContact CG-OG 3.47Å; E515-S533 WeakPolarHBondContact OE1-CB 3.41Å; E515-S533 PolarHBondContact OE1-OG 2.87Å; T516-S533 WeakPolarHBondContact O-CA 3.43Å; S533-V549 CarbonylContact O-C 3.54Å; S533-V549 VanDerWaalsContact O-CA 3.27Å; S533-V549 WeakPolarHBondContact O-CA 3.39Å; S533-H550 PolarHBondContact N-O 3.11Å; S533-H550 PolarHBondContact O-N 3.41Å
534	E	97.6	Very high	90.2	Very high	61 Å²	61	49.5 Å²	49.5	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.9	169.2	-167.5	-178.6	147.8	0	0	109.8	E515 T516 L536 Y547 V549 R573	E515-E534 CarbonylContact C-O 3.53Å; E515-E534 WeakPolarHBondContact CA-O 3.26Å; T516-E534 PolarHBondContact N-O 3.36Å; T516-E534 PolarHBondContact O-N 3.46Å; E534-L536 HydrophobicContact CG-CD1 3.98Å; E534-Y547 VanDerWaalsContact CD-CE2 3.43Å; E534-Y547 HydrophobicContact CG-CD2 3.39Å; E534-Y547 HydrophobicContact CG-CE2 3.6Å; E534-Y547 HydrophobicContact CG-CG 4.44Å; E534-Y547 WeakPolarHBondContact OE1-CD2 3.41Å; E534-Y547 WeakPolarHBondContact OE1-CE2 3.22Å; E534-V549 HydrophobicContact CG-CG2 4.4Å; E534-R573 IonicContact OE1-CZ 2.71Å; E534-R573 IonicContact OE1-NH2 2.66Å; E534-R573 PolarHBondContact OE1-NH2 3.35Å
535	V	97.9	Very high	91.1	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.8	-175.5	176.5	0	0	0	0	110.5	V513 E515 T548	V513-V535 HydrophobicContact CG1-CG1 3.59Å; E515-V535 HydrophobicContact CB-CG2 4.14Å; E515-V535 HydrophobicContact CG-CG2 3.83Å; V535-T548 PolarHBondContact N-O 3.25Å; V535-T548 PolarHBondContact O-N 3.29Å
536	L	97.1	Very high	92	Very high	48 Å²	48	42.9 Å²	42.9	25%	0.251	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107	179.9	-61.8	86.3	0	0	0	110.2	V513 V514 E534	V513-L536 WeakPolarHBondContact CA-O 3.35Å; V514-L536 PolarHBondContact N-O 3.1Å; V514-L536 PolarHBondContact O-N 2.88Å; E534-L536 HydrophobicContact CG-CD1 3.98Å
537	T	94.7	Very high	92.9	Very high	33 Å²	33	44.1 Å²	44.1	20%	0.202	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.8	176.5	-55.2	0	0	0	0	110.7	I500 A511 V513 I540	I500-T537 HydrophobicContact CD1-CG2 3.97Å; A511-T537 HydrophobicContact CB-CG2 3.73Å; V513-T537 HydrophobicContact CG2-CG2 4.06Å; T537-I540 HydrophobicContact CG2-CD1 3.79Å; T537-I540 HydrophobicContact CG2-CG1 4Å; T537-I540 HydrophobicContact CG2-CG2 3.74Å
538	S	92.9	Very high	93.4	Very high	54 Å²	54	39.9 Å²	39.9	38%	0.378	21%	0.212	S	C	.	.			trans	-100.6	158	-179.6	-63.8	0	0	0	0	112.4	A511 P512 I540	A511-S538 VanDerWaalsContact CB-O 3.27Å; A511-S538 WeakPolarHBondContact CB-O 3.45Å; P512-S538 PolarHBondContact O-N 3.09Å; S538-I540 PolarHBondContact O-N 3.03Å
539	G	85.7	Confident	93.7	Very high	47 Å²	47	41 Å²	41	49%	0.485	22%	0.219	S	C	.	.	S	Bend	trans	79.9	-11.4	-178.4	0	0	0	0	0	115.2
540	I	89.9	Confident	94	Very high	28 Å²	28	40.5 Å²	40.5	14%	0.144	22%	0.217	C	C	.	.	S	Bend	trans	-80.5	151.8	178.2	59.3	167.2	0	0	0	112.7	L502 A511 T537 S538 Y542 Q543 F546	L502-I540 HydrophobicContact CD1-CG2 3.63Å; A511-I540 HydrophobicContact CB-CG2 3.94Å; T537-I540 HydrophobicContact CG2-CD1 3.79Å; T537-I540 HydrophobicContact CG2-CG1 4Å; T537-I540 HydrophobicContact CG2-CG2 3.74Å; S538-I540 PolarHBondContact O-N 3.03Å; I540-Y542 PolarHBondContact O-N 3.47Å; I540-Q543 HydrophobicContact CG1-CB 4.09Å; I540-Q543 PolarHBondContact O-N 3.48Å; I540-F546 HydrophobicContact CD1-CE1 4.1Å; I540-F546 HydrophobicContact CD1-CZ 3.68Å
541	P	86.9	Confident	94.1	Very high	73 Å²	73	42.2 Å²	42.2	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	132.8	168.5	-25.2	34.9	0	0	0	111.4	Q543	P541-Q543 VanDerWaalsContact C-N 3.33Å; P541-Q543 PolarHBondContact O-N 2.84Å
542	Y	88.9	Confident	94.1	Very high	96 Å²	96	42.6 Å²	42.6	38%	0.376	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	20.8	-178.8	-43.8	-79.5	0	0	0	116.3	I540 D544 Y545 V580 L583 I584	I540-Y542 PolarHBondContact O-N 3.47Å; Y542-D544 PolarHBondContact O-N 3.19Å; Y542-Y545 HydrophobicContact CD1-CD2 4.11Å; Y542-Y545 HydrophobicContact CD1-CE2 4.07Å; Y542-Y545 WeakPolarHBondContact O-CB 3.32Å; Y542-Y545 PolarHBondContact O-N 3.33Å; Y542-V580 HydrophobicContact CD1-CG1 3.69Å; Y542-V580 HydrophobicContact CD2-CG1 4.05Å; Y542-V580 HydrophobicContact CE1-CG1 3.57Å; Y542-V580 HydrophobicContact CE1-CG2 4.15Å; Y542-V580 HydrophobicContact CE2-CG1 3.95Å; Y542-V580 HydrophobicContact CG-CG1 3.93Å; Y542-L583 HydrophobicContact CE2-CD2 4.47Å; Y542-I584 HydrophobicContact CD2-CG1 4.48Å; Y542-I584 HydrophobicContact CG-CD1 4.34Å
543	Q	90.9	Very high	94.1	Very high	73 Å²	73	41.3 Å²	41.3	34%	0.341	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-40.1	174	55.9	166.3	38.7	0	0	114.2	I540 P541 Y545	I540-Q543 HydrophobicContact CG1-CB 4.09Å; I540-Q543 PolarHBondContact O-N 3.48Å; P541-Q543 VanDerWaalsContact C-N 3.33Å; P541-Q543 PolarHBondContact O-N 2.84Å; Q543-Y545 PolarHBondContact O-N 3.02Å
544	D	92.6	Very high	94	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.5	-176.2	-40.1	-48.3	0	0	0	113.8	Y542 K574	Y542-D544 PolarHBondContact O-N 3.19Å; D544-K574 VanDerWaalsContact CB-NZ 3.27Å; D544-K574 WeakPolarHBondContact O-CD 3.47Å; D544-K574 WeakPolarHBondContact O-CE 3.45Å; D544-K574 PolarHBondContact O-NZ 3.23Å
545	Y	93.6	Very high	93.8	Very high	82 Å²	82	38.6 Å²	38.6	32%	0.322	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-32.3	179.5	-76.4	-106.4	0	0	0	112.6	Y542 Q543 Y572 R573 K574 P576	Y542-Y545 HydrophobicContact CD1-CD2 4.11Å; Y542-Y545 HydrophobicContact CD1-CE2 4.07Å; Y542-Y545 WeakPolarHBondContact O-CB 3.32Å; Y542-Y545 PolarHBondContact O-N 3.33Å; Q543-Y545 PolarHBondContact O-N 3.02Å; Y545-Y572 CarbonylContact O-C 3.57Å; Y545-Y572 VanDerWaalsContact O-CA 3.31Å; Y545-Y572 WeakPolarHBondContact O-CA 3.38Å; Y545-R573 PolarHBondContact O-N 2.84Å; Y545-K574 HydrophobicContact CD1-CB 3.79Å; Y545-K574 HydrophobicContact CE1-CB 4.18Å; Y545-K574 HydrophobicContact CG-CB 4.25Å; Y545-K574 PolarHBondContact O-N 3.02Å; Y545-P576 HydrophobicContact CD1-CB 4.07Å
546	F	95.6	Very high	93.6	Very high	23 Å²	23	38.7 Å²	38.7	10%	0.101	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.4	-170.9	80.8	-80.9	0	0	0	113.1	I540 I570 C571 Y572 I584 T588	I540-F546 HydrophobicContact CD1-CE1 4.1Å; I540-F546 HydrophobicContact CD1-CZ 3.68Å; F546-I570 HydrophobicContact CB-CG2 4.24Å; F546-I570 HydrophobicContact CD2-CG2 3.94Å; F546-I570 HydrophobicContact CG-CG2 4.42Å; F546-C571 CarbonylContact C-O 3.51Å; F546-C571 WeakPolarHBondContact CA-O 3.41Å; F546-Y572 HydrophobicContact CB-CD1 3.74Å; F546-Y572 HydrophobicContact CB-CE1 3.77Å; F546-I584 HydrophobicContact CB-CG2 4.47Å; F546-I584 HydrophobicContact CD1-CD1 3.82Å; F546-I584 HydrophobicContact CD1-CG1 4.12Å; F546-I584 HydrophobicContact CD1-CG2 3.67Å; F546-I584 HydrophobicContact CD2-CG2 3.85Å; F546-I584 HydrophobicContact CE1-CD1 4.2Å; F546-I584 HydrophobicContact CE1-CG1 4.02Å; F546-I584 HydrophobicContact CE1-CG2 3.74Å; F546-I584 HydrophobicContact CE2-CG2 3.91Å; F546-I584 HydrophobicContact CG-CG2 3.72Å; F546-I584 HydrophobicContact CZ-CG2 3.85Å; F546-T588 HydrophobicContact CE2-CG2 4.3Å; F546-T588 WeakPolarHBondContact CE2-OG1 3.48Å
547	Y	96.7	Very high	93.4	Very high	55 Å²	55	37.6 Å²	37.6	22%	0.216	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	169.6	168.8	62	-77.9	0	0	0	107.7	E534 V549 C571 R573	E534-Y547 VanDerWaalsContact CD-CE2 3.43Å; E534-Y547 HydrophobicContact CG-CD2 3.39Å; E534-Y547 HydrophobicContact CG-CE2 3.6Å; E534-Y547 HydrophobicContact CG-CG 4.44Å; E534-Y547 WeakPolarHBondContact OE1-CD2 3.41Å; E534-Y547 WeakPolarHBondContact OE1-CE2 3.22Å; Y547-V549 HydrophobicContact CD2-CG2 3.84Å; Y547-V549 HydrophobicContact CE2-CG2 3.49Å; Y547-V549 VanDerWaalsContact CE2-CG2 3.49Å; Y547-C571 HydrophobicContact CD1-CB 3.88Å; Y547-C571 WeakPolarHBondContact CD1-O 3.45Å; Y547-C571 HydrophobicContact CD2-CB 4Å; Y547-C571 HydrophobicContact CE1-CB 3.42Å; Y547-C571 VanDerWaalsContact CE1-CB 3.42Å; Y547-C571 HydrophobicContact CE2-CB 3.59Å; Y547-C571 HydrophobicContact CG-CB 4.17Å; Y547-C571 PolarHBondContact N-O 2.68Å; Y547-C571 PolarHBondContact O-N 2.87Å; Y547-R573 HydrophobicContact CD1-CG 3.61Å; Y547-R573 HydrophobicContact CE1-CG 3.52Å
548	T	97.2	Very high	93.1	Very high	12 Å²	12	38.8 Å²	38.8	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146	177.1	56.8	0	0	0	0	110.8	V535 H550 D569 I570 T588 I592	V535-T548 PolarHBondContact N-O 3.25Å; V535-T548 PolarHBondContact O-N 3.29Å; T548-H550 WeakPolarHBondContact CB-NE2 3.13Å; T548-H550 PolarHBondContact OG1-NE2 3.43Å; T548-D569 WeakPolarHBondContact CA-O 3.45Å; T548-I570 HydrophobicContact CG2-CG1 4.31Å; T548-T588 HydrophobicContact CG2-CG2 3.48Å; T548-T588 VanDerWaalsContact CG2-CG2 3.48Å; T548-I592 HydrophobicContact CG2-CD1 4.13Å
549	V	97.3	Very high	92.8	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.158	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.5	176.8	-179	0	0	0	0	108.5	L437 S533 E534 Y547 S568 D569 C571	L437-V549 HydrophobicContact CD1-CB 4.39Å; L437-V549 HydrophobicContact CD1-CG1 4Å; L437-V549 WeakPolarHBondContact CD1-O 3.43Å; S533-V549 CarbonylContact O-C 3.54Å; S533-V549 VanDerWaalsContact O-CA 3.27Å; S533-V549 WeakPolarHBondContact O-CA 3.39Å; E534-V549 HydrophobicContact CG-CG2 4.4Å; Y547-V549 HydrophobicContact CD2-CG2 3.84Å; Y547-V549 HydrophobicContact CE2-CG2 3.49Å; Y547-V549 VanDerWaalsContact CE2-CG2 3.49Å; V549-S568 CarbonylContact O-C 3.49Å; V549-S568 VanDerWaalsContact O-CA 3.24Å; V549-S568 WeakPolarHBondContact O-CA 3.46Å; V549-D569 PolarHBondContact N-O 3.12Å; V549-D569 PolarHBondContact O-N 3.37Å; V549-C571 HydrophobicContact CG2-CB 4.49Å; V549-C571 VanDerWaalsContact CG2-SG 3.57Å
550	H	97.4	Very high	93	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.6	-175.9	-49.1	-82.3	0	0	0	109.9	D532 S533 T548 Y552 S567 S568 Y596	D532-H550 CarbonylContact C-O 3.53Å; D532-H550 WeakPolarHBondContact CA-O 3.26Å; S533-H550 PolarHBondContact N-O 3.11Å; S533-H550 PolarHBondContact O-N 3.41Å; T548-H550 WeakPolarHBondContact CB-NE2 3.13Å; T548-H550 PolarHBondContact OG1-NE2 3.43Å; H550-Y552 HydrophobicContact CB-CE2 4.04Å; H550-S567 CarbonylContact C-O 3.54Å; H550-S567 WeakPolarHBondContact CA-O 3.42Å; H550-S568 VanDerWaalsContact ND1-CB 3.32Å; H550-S568 WeakPolarHBondContact ND1-CB 3.36Å; H550-S568 PolarHBondContact ND1-OG 3.01Å; H550-Y596 WeakPolarHBondContact CB-OH 3.47Å; H550-Y596 VanDerWaalsContact CG-OH 3.3Å; H550-Y596 AromaticContact ND1-CE2 3.74Å; H550-Y596 PolarHBondContact ND1-OH 2.88Å
551	R	95.8	Very high	93.1	Very high	36 Å²	36	50.8 Å²	50.8	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.9	176.8	174.6	164.9	-70.4	164.9	2.2	109.8	S435 L437 V530 D532 V566 S567	S435-R551 WeakPolarHBondContact O-CD 3.45Å; S435-R551 PolarHBondContact O-NH1 3.36Å; L437-R551 HydrophobicContact CD1-CB 3.85Å; L437-R551 HydrophobicContact CD2-CB 4.24Å; L437-R551 HydrophobicContact CG-CB 3.75Å; V530-R551 HydrophobicContact CG1-CG 4.12Å; D532-R551 VanDerWaalsContact OD1-CB 3.3Å; D532-R551 WeakPolarHBondContact OD1-CB 3.44Å; D532-R551 WeakPolarHBondContact OD1-CG 3.45Å; D532-R551 IonicContact OD1-CZ 2.79Å; D532-R551 IonicContact OD1-NE 2.65Å; D532-R551 PolarHBondContact OD1-NE 3.41Å; D532-R551 IonicContact OD1-NH2 3.88Å; D532-R551 PolarHBondContact OD1-NH2 2.84Å; D532-R551 IonicContact OD2-CZ 3.42Å; D532-R551 IonicContact OD2-NE 3.64Å; D532-R551 IonicContact OD2-NH2 2.75Å; D532-R551 PolarHBondContact OD2-NH2 2.68Å; R551-V566 WeakPolarHBondContact O-CA 3.42Å; R551-S567 PolarHBondContact N-O 2.77Å; R551-S567 PolarHBondContact O-N 3.5Å
552	Y	95.9	Very high	93.5	Very high	8 Å²	8	47.3 Å²	47.3	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115	171.8	-58.4	-100.2	0	0	0	108.4	F459 V530 V531 H550 R565 V566 Y596 M599	F459-Y552 HydrophobicContact CE1-CD2 4.49Å; F459-Y552 HydrophobicContact CZ-CD1 4.01Å; F459-Y552 AromaticContact CZ-CD2 4Å; F459-Y552 HydrophobicContact CZ-CD2 4Å; F459-Y552 AromaticContact CZ-CG 3.71Å; F459-Y552 HydrophobicContact CZ-CG 3.71Å; V530-Y552 VanDerWaalsContact CA-O 3.31Å; V530-Y552 WeakPolarHBondContact CA-O 3.5Å; V531-Y552 PolarHBondContact N-O 3.42Å; V531-Y552 PolarHBondContact O-N 3.04Å; H550-Y552 HydrophobicContact CB-CE2 4.04Å; Y552-R565 WeakPolarHBondContact CA-O 3.19Å; Y552-V566 HydrophobicContact CD1-CB 4.34Å; Y552-V566 HydrophobicContact CD1-CG1 3.92Å; Y552-V566 HydrophobicContact CD1-CG2 3.44Å; Y552-V566 VanDerWaalsContact CD1-CG2 3.44Å; Y552-V566 HydrophobicContact CE1-CG1 3.91Å; Y552-V566 HydrophobicContact CE1-CG2 3.87Å; Y552-V566 HydrophobicContact CG-CG1 4.33Å; Y552-V566 HydrophobicContact CG-CG2 4.27Å; Y552-Y596 AromaticContact CE1-CE1 3.83Å; Y552-Y596 HydrophobicContact CE1-CE1 3.83Å; Y552-Y596 AromaticContact CZ-CE1 3.98Å; Y552-Y596 PolarHBondContact OH-OH 2.67Å; Y552-M599 HydrophobicContact CE1-CE 3.95Å; Y552-M599 HydrophobicContact CE1-SD 4.21Å
553	C	94.1	Very high	93.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.4	172	-65.7	0	0	0	0	108.8	A432 V530 R565	A432-C553 HydrophobicContact CB-CB 4.03Å; V530-C553 HydrophobicContact CG2-CB 4.48Å; C553-R565 HydrophobicContact CB-CB 4.18Å; C553-R565 PolarHBondContact N-O 2.95Å; C553-R565 PolarHBondContact O-N 3.48Å
554	L	94.9	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122	176.5	-74.3	63.3	0	0	0	107.3	V451 L454 H455 F459 C528 Y529 R563 L564	V451-L554 HydrophobicContact CG2-CB 3.79Å; L454-L554 HydrophobicContact CB-CD2 4.23Å; L454-L554 HydrophobicContact CD2-CB 4.44Å; L454-L554 HydrophobicContact CD2-CD2 4.05Å; L454-L554 HydrophobicContact CD2-CG 3.86Å; L454-L554 HydrophobicContact CG-CD2 3.76Å; L454-L554 HydrophobicContact CG-CG 4.11Å; H455-L554 HydrophobicContact CB-CD2 4.03Å; F459-L554 HydrophobicContact CE2-CD1 4.09Å; F459-L554 HydrophobicContact CE2-CD2 4.34Å; C528-L554 CarbonylContact C-O 3.58Å; C528-L554 VanDerWaalsContact CA-O 3.28Å; C528-L554 WeakPolarHBondContact CA-O 3.31Å; C528-L554 PolarHBondContact SG-O 3.25Å; C528-L554 VanDerWaalsContact SG-O 3.4Å; Y529-L554 PolarHBondContact N-O 2.93Å; Y529-L554 PolarHBondContact O-N 3.35Å; L554-R563 WeakPolarHBondContact CA-O 3.32Å; L554-L564 HydrophobicContact CD1-CD1 3.73Å; L554-L564 HydrophobicContact CG-CD1 4.12Å
555	T	93.8	Very high	94.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.3	178.5	62.1	0	0	0	0	112.5	V430 A432 E527 S562 R563	V430-T555 WeakPolarHBondContact O-CB 3.37Å; V430-T555 VanDerWaalsContact O-CG2 3.25Å; V430-T555 WeakPolarHBondContact O-CG2 3.24Å; V430-T555 PolarHBondContact O-OG1 3.35Å; A432-T555 HydrophobicContact CB-CG2 3.92Å; E527-T555 CarbonylContact O-C 3.5Å; T555-S562 CarbonylContact O-C 3.55Å; T555-S562 WeakPolarHBondContact O-CA 3.27Å; T555-S562 WeakPolarHBondContact O-CB 3.5Å; T555-R563 PolarHBondContact N-O 3.19Å; T555-R563 PolarHBondContact O-N 3.44Å
556	S	93.5	Very high	94.2	Very high	16 Å²	16	37.5 Å²	37.5	11%	0.112	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.6	176.1	-157.5	0	0	0	0	110.6	V430 G526 E527	V430-S556 PolarHBondContact N-O 3.3Å; G526-S556 PolarHBondContact O-OG 3.19Å; E527-S556 WeakPolarHBondContact O-CB 3.2Å; E527-S556 PolarHBondContact O-N 2.93Å
557	I	92.1	Very high	94.3	Very high	24 Å²	24	36.4 Å²	36.4	12%	0.123	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33.4	168.1	-57.4	167.3	0	0	0	109.4	E429 A446 K561 R563	E429-I557 HydrophobicContact CG-CG1 4.07Å; A446-I557 HydrophobicContact CB-CD1 3.73Å; I557-K561 WeakPolarHBondContact CA-O 3.49Å; I557-K561 HydrophobicContact CB-CB 4.34Å; I557-K561 HydrophobicContact CB-CD 4.2Å; I557-K561 HydrophobicContact CB-CG 4.11Å; I557-K561 HydrophobicContact CD1-CD 4.39Å; I557-K561 HydrophobicContact CD1-CG 4.18Å; I557-K561 HydrophobicContact CG2-CD 3.89Å; I557-K561 HydrophobicContact CG2-CG 4.37Å; I557-K561 PolarHBondContact N-O 2.8Å; I557-R563 HydrophobicContact CD1-CB 4.02Å; I557-R563 HydrophobicContact CG1-CB 4.42Å
558	S	89.3	Confident	94.3	Very high	58 Å²	58	33.8 Å²	33.8	41%	0.406	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	173.9	169.7	85.6	0	0	0	0	110.5	H560 K561	S558-H560 PolarHBondContact O-N 3.36Å; S558-H560 PolarHBondContact OG-N 2.54Å; S558-K561 PolarHBondContact N-O 3.39Å; S558-K561 PolarHBondContact O-N 3.49Å; S558-K561 WeakPolarHBondContact OG-CB 3.35Å; S558-K561 PolarHBondContact OG-N 2.63Å
559	K	87.1	Confident	94.3	Very high	178 Å²	178	34.9 Å²	34.9	77%	0.774	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-21.4	176.6	-63.5	-176.3	179.2	-179.6	0	114.8	S450	S450-K559 WeakPolarHBondContact CB-O 3.41Å
560	H	88.5	Confident	94.2	Very high	140 Å²	140	34.1 Å²	34.1	65%	0.648	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.1	17.3	-179.8	-51.4	-49.6	0	0	0	113.4	R448 M449 S558	R448-H560 CarbonylContact C-O 3.52Å; R448-H560 VanDerWaalsContact CA-O 3.31Å; R448-H560 WeakPolarHBondContact CA-O 3.45Å; M449-H560 PolarHBondContact N-O 3.29Å; M449-H560 VanDerWaalsContact N-O 3.15Å; M449-H560 CarbonylContact O-C 3.08Å; S558-H560 PolarHBondContact O-N 3.36Å; S558-H560 PolarHBondContact OG-N 2.54Å
561	K	92.3	Very high	94.1	Very high	64 Å²	64	35.3 Å²	35.3	28%	0.278	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.7	-179.6	-172.1	-174.9	174.8	-171	0	109.6	V447 M449 I557 S558	V447-K561 WeakPolarHBondContact O-CA 3.27Å; M449-K561 CarbonylContact O-C 3.54Å; M449-K561 WeakPolarHBondContact O-CA 3.35Å; M449-K561 PolarHBondContact O-N 2.82Å; I557-K561 WeakPolarHBondContact CA-O 3.49Å; I557-K561 HydrophobicContact CB-CB 4.34Å; I557-K561 HydrophobicContact CB-CD 4.2Å; I557-K561 HydrophobicContact CB-CG 4.11Å; I557-K561 HydrophobicContact CD1-CD 4.39Å; I557-K561 HydrophobicContact CD1-CG 4.18Å; I557-K561 HydrophobicContact CG2-CD 3.89Å; I557-K561 HydrophobicContact CG2-CG 4.37Å; I557-K561 PolarHBondContact N-O 2.8Å; S558-K561 PolarHBondContact N-O 3.39Å; S558-K561 PolarHBondContact O-N 3.49Å; S558-K561 WeakPolarHBondContact OG-CB 3.35Å; S558-K561 PolarHBondContact OG-N 2.63Å
562	S	94.9	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.9	178.9	46.5	0	0	0	0	110.7	A446 V447 M449 T555	A446-S562 CarbonylContact C-O 3.53Å; A446-S562 WeakPolarHBondContact CA-O 3.39Å; V447-S562 PolarHBondContact N-O 2.79Å; V447-S562 PolarHBondContact O-N 2.79Å; M449-S562 PolarHBondContact O-N 3.17Å; M449-S562 VanDerWaalsContact O-N 3.14Å; M449-S562 PolarHBondContact O-OG 2.68Å; T555-S562 CarbonylContact O-C 3.55Å; T555-S562 WeakPolarHBondContact O-CA 3.27Å; T555-S562 WeakPolarHBondContact O-CB 3.5Å
563	R	94.5	Very high	93.9	Very high	65 Å²	65	42.7 Å²	42.7	25%	0.245	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.1	169.7	-162.9	165.7	-75.4	171.2	0.1	109.5	E429 L554 T555 I557 R565	E429-R563 WeakPolarHBondContact OE1-CD 3.45Å; E429-R563 IonicContact OE1-CZ 3.69Å; E429-R563 IonicContact OE1-NE 2.65Å; E429-R563 PolarHBondContact OE1-NE 3.28Å; E429-R563 IonicContact OE1-NH1 2.68Å; E429-R563 PolarHBondContact OE1-NH1 2.89Å; E429-R563 IonicContact OE1-NH2 3.76Å; E429-R563 IonicContact OE2-CZ 2.63Å; E429-R563 IonicContact OE2-NE 2.7Å; E429-R563 IonicContact OE2-NH1 3.65Å; E429-R563 PolarHBondContact OE2-NH1 3.29Å; E429-R563 IonicContact OE2-NH2 2.89Å; E429-R563 PolarHBondContact OE2-NH2 2.77Å; L554-R563 WeakPolarHBondContact CA-O 3.32Å; T555-R563 PolarHBondContact N-O 3.19Å; T555-R563 PolarHBondContact O-N 3.44Å; I557-R563 HydrophobicContact CD1-CB 4.02Å; I557-R563 HydrophobicContact CG1-CB 4.42Å; R563-R565 HydrophobicContact CG-CG 4.26Å
564	L	95.5	Very high	93.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.4	164.4	-178.3	57.9	0	0	0	108.3	I443 N444 T445 L454 L458 L554 V566	I443-L564 HydrophobicContact CD1-CD2 4.27Å; I443-L564 HydrophobicContact CG2-CB 4.47Å; I443-L564 HydrophobicContact CG2-CD2 4.2Å; I443-L564 HydrophobicContact CG2-CG 4.11Å; N444-L564 WeakPolarHBondContact CA-O 3.38Å; T445-L564 PolarHBondContact N-O 3.31Å; T445-L564 PolarHBondContact O-N 2.77Å; L454-L564 HydrophobicContact CD2-CB 4.07Å; L458-L564 HydrophobicContact CD1-CD1 4.01Å; L458-L564 HydrophobicContact CD1-CD2 4.37Å; L554-L564 HydrophobicContact CD1-CD1 3.73Å; L554-L564 HydrophobicContact CG-CD1 4.12Å; L564-V566 HydrophobicContact CD1-CG2 3.96Å; L564-V566 HydrophobicContact CG-CG2 4.15Å
565	R	95.4	Very high	93.4	Very high	65 Å²	65	56.5 Å²	56.5	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136	163.2	-65	173.8	78.3	116.2	-2.3	108.8	D436 L441 I443 N444 Y552 C553 R563	D436-R565 IonicContact OD1-CZ 3.56Å; D436-R565 IonicContact OD1-NE 2.76Å; D436-R565 PolarHBondContact OD1-NE 3.26Å; D436-R565 IonicContact OD1-NH2 3.56Å; D436-R565 PolarHBondContact OD1-NH2 3.49Å; D436-R565 IonicContact OD2-CZ 3.05Å; D436-R565 IonicContact OD2-NE 2.69Å; D436-R565 IonicContact OD2-NH2 2.67Å; D436-R565 PolarHBondContact OD2-NH2 2.79Å; L441-R565 HydrophobicContact CD1-CB 4.45Å; I443-R565 VanDerWaalsContact O-CA 3.31Å; I443-R565 WeakPolarHBondContact O-CA 3.24Å; N444-R565 WeakPolarHBondContact OD1-CG 3.29Å; Y552-R565 WeakPolarHBondContact CA-O 3.19Å; C553-R565 HydrophobicContact CB-CB 4.18Å; C553-R565 PolarHBondContact N-O 2.95Å; C553-R565 PolarHBondContact O-N 3.48Å; R563-R565 HydrophobicContact CG-CG 4.26Å
566	V	97.2	Very high	93.1	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.5	168.2	-170.4	0	0	0	0	108.7	N442 I443 R551 Y552 L564 Y596	N442-V566 PolarHBondContact N-O 3.04Å; I443-V566 HydrophobicContact CB-CB 4.15Å; I443-V566 HydrophobicContact CB-CG2 4.12Å; I443-V566 HydrophobicContact CD1-CB 4.45Å; I443-V566 HydrophobicContact CD1-CG2 3.99Å; I443-V566 HydrophobicContact CG1-CB 4.29Å; I443-V566 HydrophobicContact CG1-CG2 4.28Å; I443-V566 PolarHBondContact N-O 2.73Å; I443-V566 PolarHBondContact O-N 2.86Å; R551-V566 WeakPolarHBondContact O-CA 3.42Å; Y552-V566 HydrophobicContact CD1-CB 4.34Å; Y552-V566 HydrophobicContact CD1-CG1 3.92Å; Y552-V566 HydrophobicContact CD1-CG2 3.44Å; Y552-V566 VanDerWaalsContact CD1-CG2 3.44Å; Y552-V566 HydrophobicContact CE1-CG1 3.91Å; Y552-V566 HydrophobicContact CE1-CG2 3.87Å; Y552-V566 HydrophobicContact CG-CG1 4.33Å; Y552-V566 HydrophobicContact CG-CG2 4.27Å; L564-V566 HydrophobicContact CD1-CG2 3.96Å; L564-V566 HydrophobicContact CG-CG2 4.15Å; V566-Y596 HydrophobicContact CB-CE1 4.44Å; V566-Y596 HydrophobicContact CG1-CD1 4.18Å; V566-Y596 HydrophobicContact CG1-CE1 3.68Å; V566-Y596 HydrophobicContact CG1-CE2 4.19Å
567	S	96.3	Very high	92.5	Very high	1 Å²	1	67 Å²	67	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.5	171	58.7	0	0	0	0	110	L437 R440 H550 R551	L437-S567 PolarHBondContact N-OG 2.86Å; R440-S567 CarbonylContact O-C 3.55Å; R440-S567 VanDerWaalsContact O-CA 3.26Å; R440-S567 WeakPolarHBondContact O-CA 3.26Å; H550-S567 CarbonylContact C-O 3.54Å; H550-S567 WeakPolarHBondContact CA-O 3.42Å; R551-S567 PolarHBondContact N-O 2.77Å; R551-S567 PolarHBondContact O-N 3.5Å
568	S	97.7	Very high	91.9	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.3	178.7	-48.9	0	0	0	0	111.1	G439 R440 N442 V549 H550 W589 Y596	G439-S568 CarbonylContact C-O 3.55Å; G439-S568 VanDerWaalsContact CA-O 3.26Å; G439-S568 WeakPolarHBondContact CA-O 3.38Å; R440-S568 PolarHBondContact N-O 2.89Å; R440-S568 PolarHBondContact O-N 2.85Å; N442-S568 VanDerWaalsContact OD1-CB 3.24Å; N442-S568 WeakPolarHBondContact OD1-CB 3.46Å; N442-S568 PolarHBondContact OD1-OG 3.43Å; V549-S568 CarbonylContact O-C 3.49Å; V549-S568 VanDerWaalsContact O-CA 3.24Å; V549-S568 WeakPolarHBondContact O-CA 3.46Å; H550-S568 VanDerWaalsContact ND1-CB 3.32Å; H550-S568 WeakPolarHBondContact ND1-CB 3.36Å; H550-S568 PolarHBondContact ND1-OG 3.01Å; S568-W589 WeakPolarHBondContact O-CH2 3.33Å; S568-Y596 WeakPolarHBondContact OG-CE2 3.39Å
569	D	96.3	Very high	91.3	Very high	34 Å²	34	75.4 Å²	75.4	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.4	167.6	-148.9	-16.1	0	0	0	112	L437 S438 G439 T548 V549	L437-D569 HydrophobicContact CB-CB 4.31Å; L437-D569 HydrophobicContact CD1-CB 4.5Å; S438-D569 WeakPolarHBondContact CB-OD2 3.45Å; S438-D569 PolarHBondContact OG-OD2 3Å; G439-D569 PolarHBondContact N-OD2 2.79Å; G439-D569 VanDerWaalsContact N-OD2 3.12Å; T548-D569 WeakPolarHBondContact CA-O 3.45Å; V549-D569 PolarHBondContact N-O 3.12Å; V549-D569 PolarHBondContact O-N 3.37Å
570	I	96	Very high	91.1	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.056	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	102.7	178.3	-55.3	179.5	0	0	0	108.8	F546 T548 Y572 I584 E585 T588 W589	F546-I570 HydrophobicContact CB-CG2 4.24Å; F546-I570 HydrophobicContact CD2-CG2 3.94Å; F546-I570 HydrophobicContact CG-CG2 4.42Å; T548-I570 HydrophobicContact CG2-CG1 4.31Å; I570-Y572 HydrophobicContact CB-CE2 4.43Å; I570-Y572 HydrophobicContact CG2-CE1 4.25Å; I570-Y572 HydrophobicContact CG2-CE2 3.92Å; I570-I584 HydrophobicContact CG2-CG2 4.35Å; I570-E585 HydrophobicContact CD1-CG 4.33Å; I570-T588 HydrophobicContact CD1-CG2 3.6Å; I570-T588 HydrophobicContact CG1-CG2 3.91Å; I570-W589 HydrophobicContact CD1-CD2 4.1Å; I570-W589 HydrophobicContact CD1-CG 4.19Å; I570-W589 HydrophobicContact CD1-CZ2 4.08Å; I570-W589 HydrophobicContact CG1-CH2 4.49Å; I570-W589 HydrophobicContact CG1-CZ2 3.9Å
571	C	94.5	Very high	91	Very high	35 Å²	35	65.4 Å²	65.4	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.1	-176.5	-62.4	0	0	0	0	111	F546 Y547 V549	F546-C571 CarbonylContact C-O 3.51Å; F546-C571 WeakPolarHBondContact CA-O 3.41Å; Y547-C571 HydrophobicContact CD1-CB 3.88Å; Y547-C571 WeakPolarHBondContact CD1-O 3.45Å; Y547-C571 HydrophobicContact CD2-CB 4Å; Y547-C571 HydrophobicContact CE1-CB 3.42Å; Y547-C571 VanDerWaalsContact CE1-CB 3.42Å; Y547-C571 HydrophobicContact CE2-CB 3.59Å; Y547-C571 HydrophobicContact CG-CB 4.17Å; Y547-C571 PolarHBondContact N-O 2.68Å; Y547-C571 PolarHBondContact O-N 2.87Å; V549-C571 HydrophobicContact CG2-CB 4.49Å; V549-C571 VanDerWaalsContact CG2-SG 3.57Å
572	Y	94.8	Very high	90.6	Very high	61 Å²	61	65 Å²	65	24%	0.239	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.4	-177.8	-70.3	-75.9	0	0	0	112.2	Y545 F546 I570 K574 P576 K581 I584 E585	Y545-Y572 CarbonylContact O-C 3.57Å; Y545-Y572 VanDerWaalsContact O-CA 3.31Å; Y545-Y572 WeakPolarHBondContact O-CA 3.38Å; F546-Y572 HydrophobicContact CB-CD1 3.74Å; F546-Y572 HydrophobicContact CB-CE1 3.77Å; I570-Y572 HydrophobicContact CB-CE2 4.43Å; I570-Y572 HydrophobicContact CG2-CE1 4.25Å; I570-Y572 HydrophobicContact CG2-CE2 3.92Å; Y572-K574 VanDerWaalsContact C-N 3.34Å; Y572-P576 HydrophobicContact CD1-CG 3.71Å; Y572-P576 HydrophobicContact CE1-CG 3.65Å; Y572-P576 HydrophobicContact CG-CG 4.44Å; Y572-K581 HydrophobicContact CE2-CD 4.4Å; Y572-K581 HydrophobicContact CE2-CG 4.37Å; Y572-I584 HydrophobicContact CE1-CD1 4.18Å; Y572-I584 HydrophobicContact CE1-CG2 4.14Å; Y572-E585 WeakPolarHBondContact OH-CG 3.49Å
573	R	92.7	Very high	90.2	Very high	137 Å²	137	69.2 Å²	69.2	52%	0.517	33%	0.333	S	S	.	.	S	Bend	trans	-73.3	-26.1	172.7	-64.7	178	178.3	-168.6	-2.9	112.4	E534 Y545 Y547	E534-R573 IonicContact OE1-CZ 2.71Å; E534-R573 IonicContact OE1-NH2 2.66Å; E534-R573 PolarHBondContact OE1-NH2 3.35Å; Y545-R573 PolarHBondContact O-N 2.84Å; Y547-R573 HydrophobicContact CD1-CG 3.61Å; Y547-R573 HydrophobicContact CE1-CG 3.52Å
574	K	90.9	Very high	89.9	Confident	104 Å²	104	66.6 Å²	66.6	45%	0.452	32%	0.324	S	S	.	.	S	Bend	trans	-139.1	132.4	176.5	-60.7	171.1	-170.9	160.9	0	107.9	D544 Y545 Y572 P576	D544-K574 VanDerWaalsContact CB-NZ 3.27Å; D544-K574 WeakPolarHBondContact O-CD 3.47Å; D544-K574 WeakPolarHBondContact O-CE 3.45Å; D544-K574 PolarHBondContact O-NZ 3.23Å; Y545-K574 HydrophobicContact CD1-CB 3.79Å; Y545-K574 HydrophobicContact CE1-CB 4.18Å; Y545-K574 HydrophobicContact CG-CB 4.25Å; Y545-K574 PolarHBondContact O-N 3.02Å; Y572-K574 VanDerWaalsContact C-N 3.34Å; K574-P576 WeakPolarHBondContact O-CD 3.32Å
575	Q	88.3	Confident	89.8	Confident	188 Å²	188	69.4 Å²	69.4	88%	0.879	34%	0.337	S	S	*	.			trans	-68.6	111.8	-176.6	-166.6	172.8	15.1	0	0	110.8
576	P	86.6	Confident	89.4	Confident	14 Å²	14	73.9 Å²	73.9	9%	0.091	36%	0.358	C	S	.	.			trans	-80.6	153.7	-178.4	32.8	-33.3	0	0	0	111.6	Y545 Y572 K574 V580 K581	Y545-P576 HydrophobicContact CD1-CB 4.07Å; Y572-P576 HydrophobicContact CD1-CG 3.71Å; Y572-P576 HydrophobicContact CE1-CG 3.65Å; Y572-P576 HydrophobicContact CG-CG 4.44Å; K574-P576 WeakPolarHBondContact O-CD 3.32Å; P576-V580 HydrophobicContact CB-CB 4.27Å; P576-V580 HydrophobicContact CB-CG1 4.04Å; P576-K581 HydrophobicContact CB-CB 4.4Å; P576-K581 HydrophobicContact CG-CB 3.77Å; P576-K581 HydrophobicContact CG-CD 4.43Å; P576-K581 HydrophobicContact CG-CG 3.91Å
577	W	81.4	Confident	89	Confident	225 Å²	225	78.6 Å²	78.6	85%	0.852	38%	0.383	S	S	*	.			trans	-62.1	144.7	169.9	-72.3	42.4	0	0	0	110	L579 V580 K581	W577-L579 PolarHBondContact O-N 3.41Å; W577-V580 HydrophobicContact CB-CG2 4.48Å; W577-V580 CarbonylContact O-C 3.56Å; W577-V580 WeakPolarHBondContact O-CA 3.36Å; W577-V580 WeakPolarHBondContact O-CB 3.21Å; W577-V580 PolarHBondContact O-N 3.08Å; W577-K581 PolarHBondContact O-N 3.31Å
578	S	80.8	Confident	88.9	Confident	104 Å²	104	79.7 Å²	79.7	73%	0.727	39%	0.39	S	S	*	.	H	α-helix	trans	-54.2	-34	-169.4	-45.5	0	0	0	0	115.2	K581 A582	S578-K581 PolarHBondContact O-N 3.47Å; S578-A582 WeakPolarHBondContact O-CB 3.31Å; S578-A582 PolarHBondContact O-N 3.4Å
579	L	76	Confident	88.7	Confident	155 Å²	155	80.5 Å²	80.5	81%	0.812	39%	0.393	S	S	*	.	H	α-helix	trans	-69.5	-40.2	174.9	-64.6	175.4	0	0	0	112.6	W577 L583	W577-L579 PolarHBondContact O-N 3.41Å; L579-L583 WeakPolarHBondContact O-CB 3.32Å; L579-L583 PolarHBondContact O-N 3.34Å; L579-L583 VanDerWaalsContact O-N 3.12Å
580	V	82.3	Confident	88.4	Confident	30 Å²	30	82.5 Å²	82.5	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-68.8	-40	173.9	176.7	0	0	0	0	110	Y542 P576 W577 L583 I584	Y542-V580 HydrophobicContact CD1-CG1 3.69Å; Y542-V580 HydrophobicContact CD2-CG1 4.05Å; Y542-V580 HydrophobicContact CE1-CG1 3.57Å; Y542-V580 HydrophobicContact CE1-CG2 4.15Å; Y542-V580 HydrophobicContact CE2-CG1 3.95Å; Y542-V580 HydrophobicContact CG-CG1 3.93Å; P576-V580 HydrophobicContact CB-CB 4.27Å; P576-V580 HydrophobicContact CB-CG1 4.04Å; W577-V580 HydrophobicContact CB-CG2 4.48Å; W577-V580 CarbonylContact O-C 3.56Å; W577-V580 WeakPolarHBondContact O-CA 3.36Å; W577-V580 WeakPolarHBondContact O-CB 3.21Å; W577-V580 PolarHBondContact O-N 3.08Å; V580-L583 PolarHBondContact O-N 3.02Å; V580-I584 HydrophobicContact CG1-CD1 3.85Å; V580-I584 HydrophobicContact CG1-CG1 4.45Å; V580-I584 WeakPolarHBondContact O-CG1 3.14Å; V580-I584 PolarHBondContact O-N 2.97Å
581	K	87.1	Confident	88.2	Confident	79 Å²	79	83.6 Å²	83.6	34%	0.343	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-54.4	174.9	-164.4	176.5	159.4	169.4	0	111.1	Y572 P576 W577 S578 L583 I584 E585	Y572-K581 HydrophobicContact CE2-CD 4.4Å; Y572-K581 HydrophobicContact CE2-CG 4.37Å; P576-K581 HydrophobicContact CB-CB 4.4Å; P576-K581 HydrophobicContact CG-CB 3.77Å; P576-K581 HydrophobicContact CG-CD 4.43Å; P576-K581 HydrophobicContact CG-CG 3.91Å; W577-K581 PolarHBondContact O-N 3.31Å; S578-K581 PolarHBondContact O-N 3.47Å; K581-L583 VanDerWaalsContact C-N 3.25Å; K581-L583 PolarHBondContact O-N 2.67Å; K581-I584 PolarHBondContact O-N 2.93Å; K581-I584 VanDerWaalsContact O-N 3.11Å; K581-E585 WeakPolarHBondContact CE-OE1 3.14Å; K581-E585 HydrophobicContact CG-CG 4.3Å; K581-E585 IonicContact NZ-OE1 3Å; K581-E585 PolarHBondContact NZ-OE1 3.2Å; K581-E585 WeakPolarHBondContact O-CG 3.45Å; K581-E585 PolarHBondContact O-N 3.33Å
582	A	84.1	Confident	88.2	Confident	54 Å²	54	82.6 Å²	82.6	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-61.1	-32.9	179.4	0	0	0	0	0	112.9	S578 K586	S578-A582 WeakPolarHBondContact O-CB 3.31Å; S578-A582 PolarHBondContact O-N 3.4Å; A582-K586 WeakPolarHBondContact O-CB 3.32Å; A582-K586 PolarHBondContact O-N 3.39Å
583	L	85.6	Confident	88.1	Confident	90 Å²	90	82.8 Å²	82.8	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-68.2	-44.8	173.6	-175.2	67.8	0	0	0	111.9	Y542 L579 V580 K581 N587	Y542-L583 HydrophobicContact CE2-CD2 4.47Å; L579-L583 WeakPolarHBondContact O-CB 3.32Å; L579-L583 PolarHBondContact O-N 3.34Å; L579-L583 VanDerWaalsContact O-N 3.12Å; V580-L583 PolarHBondContact O-N 3.02Å; K581-L583 VanDerWaalsContact C-N 3.25Å; K581-L583 PolarHBondContact O-N 2.67Å; L583-N587 WeakPolarHBondContact CD1-ND2 3.47Å; L583-N587 PolarHBondContact O-N 3.34Å; L583-N587 PolarHBondContact O-ND2 2.76Å
584	I	89.4	Confident	88	Confident	9 Å²	9	80.6 Å²	80.6	5%	0.046	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-56.2	175.2	-68.9	164.8	0	0	0	109.5	Y542 F546 I570 Y572 V580 K581 K586 N587 T588	Y542-I584 HydrophobicContact CD2-CG1 4.48Å; Y542-I584 HydrophobicContact CG-CD1 4.34Å; F546-I584 HydrophobicContact CB-CG2 4.47Å; F546-I584 HydrophobicContact CD1-CD1 3.82Å; F546-I584 HydrophobicContact CD1-CG1 4.12Å; F546-I584 HydrophobicContact CD1-CG2 3.67Å; F546-I584 HydrophobicContact CD2-CG2 3.85Å; F546-I584 HydrophobicContact CE1-CD1 4.2Å; F546-I584 HydrophobicContact CE1-CG1 4.02Å; F546-I584 HydrophobicContact CE1-CG2 3.74Å; F546-I584 HydrophobicContact CE2-CG2 3.91Å; F546-I584 HydrophobicContact CG-CG2 3.72Å; F546-I584 HydrophobicContact CZ-CG2 3.85Å; I570-I584 HydrophobicContact CG2-CG2 4.35Å; Y572-I584 HydrophobicContact CE1-CD1 4.18Å; Y572-I584 HydrophobicContact CE1-CG2 4.14Å; V580-I584 HydrophobicContact CG1-CD1 3.85Å; V580-I584 HydrophobicContact CG1-CG1 4.45Å; V580-I584 WeakPolarHBondContact O-CG1 3.14Å; V580-I584 PolarHBondContact O-N 2.97Å; K581-I584 PolarHBondContact O-N 2.93Å; K581-I584 VanDerWaalsContact O-N 3.11Å; I584-K586 VanDerWaalsContact C-N 3.33Å; I584-K586 PolarHBondContact O-N 3.36Å; I584-N587 PolarHBondContact O-N 2.95Å; I584-T588 VanDerWaalsContact O-CB 3.26Å; I584-T588 WeakPolarHBondContact O-CB 3.37Å; I584-T588 PolarHBondContact O-N 2.86Å; I584-T588 PolarHBondContact O-OG1 2.97Å; I584-T588 VanDerWaalsContact O-OG1 3.04Å
585	E	91.6	Very high	88.1	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.29	40%	0.4	S	S	.	.	H	α-helix	trans	-54.9	-47.2	-178.2	-70.6	178.5	140.6	0	0	111.6	I570 Y572 K581 N587 W589	I570-E585 HydrophobicContact CD1-CG 4.33Å; Y572-E585 WeakPolarHBondContact OH-CG 3.49Å; K581-E585 WeakPolarHBondContact CE-OE1 3.14Å; K581-E585 HydrophobicContact CG-CG 4.3Å; K581-E585 IonicContact NZ-OE1 3Å; K581-E585 PolarHBondContact NZ-OE1 3.2Å; K581-E585 WeakPolarHBondContact O-CG 3.45Å; K581-E585 PolarHBondContact O-N 3.33Å; E585-N587 PolarHBondContact O-N 2.75Å; E585-W589 VanDerWaalsContact O-CB 3.25Å; E585-W589 WeakPolarHBondContact O-CB 3.47Å; E585-W589 PolarHBondContact O-N 3.38Å
586	K	88.1	Confident	88.4	Confident	159 Å²	159	68.8 Å²	68.8	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-59.8	-47.3	-179	-178.3	-178.5	175.2	-174.8	0	112.8	A582 I584 S590	A582-K586 WeakPolarHBondContact O-CB 3.32Å; A582-K586 PolarHBondContact O-N 3.39Å; I584-K586 VanDerWaalsContact C-N 3.33Å; I584-K586 PolarHBondContact O-N 3.36Å; K586-S590 WeakPolarHBondContact O-CB 3.17Å; K586-S590 PolarHBondContact O-N 3Å
587	N	89.2	Confident	88.7	Confident	99 Å²	99	75.5 Å²	75.5	53%	0.529	38%	0.383	S	S	.	.	H	α-helix	trans	-75.5	-44.3	-176.6	-69.2	-74.9	0	0	0	111.3	L583 I584 E585 S590 G591	L583-N587 WeakPolarHBondContact CD1-ND2 3.47Å; L583-N587 PolarHBondContact O-N 3.34Å; L583-N587 PolarHBondContact O-ND2 2.76Å; I584-N587 PolarHBondContact O-N 2.95Å; E585-N587 PolarHBondContact O-N 2.75Å; N587-S590 PolarHBondContact O-N 2.78Å; N587-G591 PolarHBondContact O-N 2.88Å; N587-G591 VanDerWaalsContact O-N 3.08Å
588	T	93	Very high	89.2	Confident	24 Å²	24	67 Å²	67	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-47.9	-179.7	-59.9	0	0	0	0	111.6	F546 T548 I570 I584 S590 G591 I592	F546-T588 HydrophobicContact CE2-CG2 4.3Å; F546-T588 WeakPolarHBondContact CE2-OG1 3.48Å; T548-T588 HydrophobicContact CG2-CG2 3.48Å; T548-T588 VanDerWaalsContact CG2-CG2 3.48Å; I570-T588 HydrophobicContact CD1-CG2 3.6Å; I570-T588 HydrophobicContact CG1-CG2 3.91Å; I584-T588 VanDerWaalsContact O-CB 3.26Å; I584-T588 WeakPolarHBondContact O-CB 3.37Å; I584-T588 PolarHBondContact O-N 2.86Å; I584-T588 PolarHBondContact O-OG1 2.97Å; I584-T588 VanDerWaalsContact O-OG1 3.04Å; T588-S590 VanDerWaalsContact C-N 3.33Å; T588-S590 PolarHBondContact O-N 3.44Å; T588-G591 PolarHBondContact O-N 3.14Å; T588-I592 HydrophobicContact CG2-CD1 3.76Å; T588-I592 HydrophobicContact CG2-CG1 4.47Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.38Å; T588-I592 PolarHBondContact O-N 3.16Å
589	W	94.2	Very high	89.9	Confident	17 Å²	17	62.4 Å²	62.4	6%	0.064	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-39.9	176.1	-74	122.4	0	0	0	112.6	R440 S568 I570 E585 G591 I592 E593	R440-W589 HydrophobicContact CB-CE3 4.31Å; R440-W589 HydrophobicContact CB-CH2 3.86Å; R440-W589 HydrophobicContact CB-CZ3 3.65Å; R440-W589 HydrophobicContact CG-CD2 4.33Å; R440-W589 HydrophobicContact CG-CE3 4.02Å; R440-W589 HydrophobicContact CG-CH2 3.65Å; R440-W589 HydrophobicContact CG-CZ2 3.97Å; R440-W589 HydrophobicContact CG-CZ3 3.66Å; R440-W589 VanDerWaalsContact CZ-CG 3.47Å; R440-W589 VanDerWaalsContact NH2-CD1 3.3Å; S568-W589 WeakPolarHBondContact O-CH2 3.33Å; I570-W589 HydrophobicContact CD1-CD2 4.1Å; I570-W589 HydrophobicContact CD1-CG 4.19Å; I570-W589 HydrophobicContact CD1-CZ2 4.08Å; I570-W589 HydrophobicContact CG1-CH2 4.49Å; I570-W589 HydrophobicContact CG1-CZ2 3.9Å; E585-W589 VanDerWaalsContact O-CB 3.25Å; E585-W589 WeakPolarHBondContact O-CB 3.47Å; E585-W589 PolarHBondContact O-N 3.38Å; W589-G591 VanDerWaalsContact C-N 3.31Å; W589-G591 PolarHBondContact O-N 3.41Å; W589-I592 HydrophobicContact CE3-CB 4.43Å; W589-I592 HydrophobicContact CE3-CD1 4.09Å; W589-I592 HydrophobicContact CE3-CG2 4.3Å; W589-I592 HydrophobicContact CZ3-CD1 4.17Å; W589-I592 HydrophobicContact CZ3-CG2 4.3Å; W589-I592 PolarHBondContact O-N 2.88Å; W589-E593 WeakPolarHBondContact O-CB 3.09Å; W589-E593 WeakPolarHBondContact O-CG 3.42Å; W589-E593 PolarHBondContact O-N 3.12Å
590	S	90.9	Very high	90.7	Very high	76 Å²	76	57.7 Å²	57.7	53%	0.531	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-38.5	176.9	-169.3	0	0	0	0	112.4	K586 N587 T588 E594	K586-S590 WeakPolarHBondContact O-CB 3.17Å; K586-S590 PolarHBondContact O-N 3Å; N587-S590 PolarHBondContact O-N 2.78Å; T588-S590 VanDerWaalsContact C-N 3.33Å; T588-S590 PolarHBondContact O-N 3.44Å; S590-E594 WeakPolarHBondContact O-CB 3.28Å; S590-E594 PolarHBondContact O-N 3.22Å
591	G	91.1	Very high	91.2	Very high	33 Å²	33	58.8 Å²	58.8	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-71.2	-41.4	176.7	0	0	0	0	0	113.1	N587 T588 W589 E594 Y595	N587-G591 PolarHBondContact O-N 2.88Å; N587-G591 VanDerWaalsContact O-N 3.08Å; T588-G591 PolarHBondContact O-N 3.14Å; W589-G591 VanDerWaalsContact C-N 3.31Å; W589-G591 PolarHBondContact O-N 3.41Å; G591-E594 PolarHBondContact O-N 3.49Å; G591-Y595 WeakPolarHBondContact O-CB 3.33Å; G591-Y595 PolarHBondContact O-N 3.24Å
592	I	93.9	Very high	91.5	Very high	14 Å²	14	56 Å²	56	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-47.7	177.3	-69.9	170.9	0	0	0	111.2	T548 T588 W589 E594 Y595 Y596	T548-I592 HydrophobicContact CG2-CD1 4.13Å; T588-I592 HydrophobicContact CG2-CD1 3.76Å; T588-I592 HydrophobicContact CG2-CG1 4.47Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.38Å; T588-I592 PolarHBondContact O-N 3.16Å; W589-I592 HydrophobicContact CE3-CB 4.43Å; W589-I592 HydrophobicContact CE3-CD1 4.09Å; W589-I592 HydrophobicContact CE3-CG2 4.3Å; W589-I592 HydrophobicContact CZ3-CD1 4.17Å; W589-I592 HydrophobicContact CZ3-CG2 4.3Å; W589-I592 PolarHBondContact O-N 2.88Å; I592-E594 PolarHBondContact O-N 2.93Å; I592-Y595 PolarHBondContact O-N 3.13Å; I592-Y596 HydrophobicContact CG2-CD2 3.69Å; I592-Y596 HydrophobicContact CG2-CE2 3.88Å; I592-Y596 WeakPolarHBondContact O-CD2 3.42Å; I592-Y596 PolarHBondContact O-N 2.69Å
593	E	93.1	Very high	91.9	Very high	66 Å²	66	53.5 Å²	53.5	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-72.2	-12.9	-179	-71.2	174.2	-171.8	0	0	114.1	R440 W589 R597	R440-E593 WeakPolarHBondContact CD-OE1 3.4Å; R440-E593 IonicContact CZ-OE1 3.37Å; R440-E593 IonicContact NE-OE1 3.8Å; R440-E593 IonicContact NH1-OE1 3.84Å; R440-E593 PolarHBondContact NH1-OE1 2.82Å; W589-E593 WeakPolarHBondContact O-CB 3.09Å; W589-E593 WeakPolarHBondContact O-CG 3.42Å; W589-E593 PolarHBondContact O-N 3.12Å; E593-R597 WeakPolarHBondContact O-CB 3.48Å; E593-R597 PolarHBondContact O-NE 2.83Å; E593-R597 VanDerWaalsContact O-NE 3.08Å; E593-R597 PolarHBondContact O-NH2 2.57Å
594	E	91.1	Very high	92.1	Very high	90 Å²	90	51.4 Å²	51.4	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-90.9	-46	172.2	-156.9	-164.3	165.5	0	0	110.3	R473 S590 G591 I592 R597 N598	R473-E594 IonicContact CZ-OE1 3.2Å; R473-E594 IonicContact CZ-OE2 3.62Å; R473-E594 IonicContact NH1-OE1 2.67Å; R473-E594 PolarHBondContact NH1-OE1 3.22Å; R473-E594 IonicContact NH1-OE2 3.3Å; R473-E594 PolarHBondContact NH1-OE2 2.99Å; R473-E594 IonicContact NH2-OE1 2.67Å; R473-E594 IonicContact NH2-OE2 3.72Å; R473-E594 PolarHBondContact NH2-OE2 3.36Å; S590-E594 WeakPolarHBondContact O-CB 3.28Å; S590-E594 PolarHBondContact O-N 3.22Å; G591-E594 PolarHBondContact O-N 3.49Å; I592-E594 PolarHBondContact O-N 2.93Å; E594-R597 PolarHBondContact O-N 2.97Å; E594-N598 PolarHBondContact O-N 2.9Å; E594-N598 PolarHBondContact O-OD1 3.12Å
595	Y	92.9	Very high	92.2	Very high	40 Å²	40	55.6 Å²	55.6	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-52.5	176.5	175.1	-106.4	0	0	0	112.5	L469 F470 F475 G591 I592 R597 N598 M599	L469-Y595 HydrophobicContact CD2-CE2 3.95Å; L469-Y595 HydrophobicContact CG-CE2 4.29Å; F470-Y595 HydrophobicContact CE1-CE2 4.35Å; F475-Y595 HydrophobicContact CE2-CD2 4.28Å; F475-Y595 HydrophobicContact CE2-CE2 4.33Å; G591-Y595 WeakPolarHBondContact O-CB 3.33Å; G591-Y595 PolarHBondContact O-N 3.24Å; I592-Y595 PolarHBondContact O-N 3.13Å; Y595-R597 VanDerWaalsContact C-N 3.32Å; Y595-R597 PolarHBondContact O-N 2.57Å; Y595-N598 PolarHBondContact O-N 3.06Å; Y595-M599 HydrophobicContact CE1-SD 4.47Å; Y595-M599 PolarHBondContact O-N 2.93Å
596	Y	94.8	Very high	92	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-70.9	-26.8	-176.4	-76.8	-56.7	0	0	0	114	N442 I443 H550 Y552 V566 S568 I592 M599 E600	N442-Y596 HydrophobicContact CB-CD2 3.75Å; N442-Y596 HydrophobicContact CB-CG 4.01Å; I443-Y596 HydrophobicContact CD1-CD1 3.86Å; I443-Y596 HydrophobicContact CD1-CG 4.33Å; I443-Y596 WeakPolarHBondContact CD1-O 3.04Å; I443-Y596 HydrophobicContact CG1-CD1 4.41Å; I443-Y596 HydrophobicContact CG1-CG 4.44Å; H550-Y596 WeakPolarHBondContact CB-OH 3.47Å; H550-Y596 VanDerWaalsContact CG-OH 3.3Å; H550-Y596 AromaticContact ND1-CE2 3.74Å; H550-Y596 PolarHBondContact ND1-OH 2.88Å; Y552-Y596 AromaticContact CE1-CE1 3.83Å; Y552-Y596 HydrophobicContact CE1-CE1 3.83Å; Y552-Y596 AromaticContact CZ-CE1 3.98Å; Y552-Y596 PolarHBondContact OH-OH 2.67Å; V566-Y596 HydrophobicContact CB-CE1 4.44Å; V566-Y596 HydrophobicContact CG1-CD1 4.18Å; V566-Y596 HydrophobicContact CG1-CE1 3.68Å; V566-Y596 HydrophobicContact CG1-CE2 4.19Å; S568-Y596 WeakPolarHBondContact OG-CE2 3.39Å; I592-Y596 HydrophobicContact CG2-CD2 3.69Å; I592-Y596 HydrophobicContact CG2-CE2 3.88Å; I592-Y596 WeakPolarHBondContact O-CD2 3.42Å; I592-Y596 PolarHBondContact O-N 2.69Å; Y596-M599 HydrophobicContact CD1-CB 4.45Å; Y596-M599 HydrophobicContact CD1-SD 3.67Å; Y596-M599 HydrophobicContact CE1-SD 3.75Å; Y596-M599 PolarHBondContact O-N 2.83Å; Y596-E600 WeakPolarHBondContact O-CB 3.42Å; Y596-E600 PolarHBondContact O-N 3.05Å
597	R	93	Very high	92	Very high	156 Å²	156	48.2 Å²	48.2	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-67.4	-40.7	172.7	-172.3	-168.4	-41	-130.2	-4.8	111.7	E593 E594 Y595 S601	E593-R597 WeakPolarHBondContact O-CB 3.48Å; E593-R597 PolarHBondContact O-NE 2.83Å; E593-R597 VanDerWaalsContact O-NE 3.08Å; E593-R597 PolarHBondContact O-NH2 2.57Å; E594-R597 PolarHBondContact O-N 2.97Å; Y595-R597 VanDerWaalsContact C-N 3.32Å; Y595-R597 PolarHBondContact O-N 2.57Å; R597-S601 PolarHBondContact O-N 2.83Å; R597-S601 VanDerWaalsContact O-N 3.12Å
598	N	91.9	Very high	92	Very high	45 Å²	45	47.3 Å²	47.3	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-44.5	171.8	-76.3	36.1	0	0	0	110.7	L469 E594 Y595 E600 S601 E602	L469-N598 HydrophobicContact CD1-CB 4.25Å; E594-N598 PolarHBondContact O-N 2.9Å; E594-N598 PolarHBondContact O-OD1 3.12Å; Y595-N598 PolarHBondContact O-N 3.06Å; N598-E600 PolarHBondContact O-N 2.74Å; N598-S601 WeakPolarHBondContact O-CB 3.49Å; N598-S601 PolarHBondContact O-N 2.92Å; N598-S601 VanDerWaalsContact O-N 3.13Å; N598-E602 WeakPolarHBondContact O-CG 3.38Å; N598-E602 PolarHBondContact O-N 2.91Å
599	M	93.8	Very high	91.7	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-47.3	177.2	-172	-178.3	-173	0	0	112.4	I443 L458 L469 Y552 Y595 Y596 S601 E602 V603	I443-M599 HydrophobicContact CD1-CB 4.47Å; I443-M599 HydrophobicContact CD1-SD 4.37Å; L458-M599 HydrophobicContact CD1-CE 3.91Å; L458-M599 HydrophobicContact CD2-CE 3.45Å; L458-M599 VanDerWaalsContact CD2-CE 3.45Å; L458-M599 HydrophobicContact CG-CE 4.24Å; L469-M599 HydrophobicContact CD1-CB 4.31Å; L469-M599 HydrophobicContact CD2-CB 3.99Å; L469-M599 HydrophobicContact CD2-CG 3.89Å; Y552-M599 HydrophobicContact CE1-CE 3.95Å; Y552-M599 HydrophobicContact CE1-SD 4.21Å; Y595-M599 HydrophobicContact CE1-SD 4.47Å; Y595-M599 PolarHBondContact O-N 2.93Å; Y596-M599 HydrophobicContact CD1-CB 4.45Å; Y596-M599 HydrophobicContact CD1-SD 3.67Å; Y596-M599 HydrophobicContact CE1-SD 3.75Å; Y596-M599 PolarHBondContact O-N 2.83Å; M599-S601 VanDerWaalsContact C-N 3.32Å; M599-S601 PolarHBondContact O-N 2.78Å; M599-E602 PolarHBondContact O-N 3.16Å; M599-V603 WeakPolarHBondContact O-CG2 3.39Å; M599-V603 PolarHBondContact O-N 2.92Å
600	E	94.1	Very high	91.1	Very high	57 Å²	57	53.4 Å²	53.4	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174.8	179.5	174.3	-141.7	0	0	112	I443 T445 Y596 N598 V603 C604	I443-E600 HydrophobicContact CD1-CB 4.18Å; I443-E600 HydrophobicContact CG1-CB 4.46Å; T445-E600 WeakPolarHBondContact CB-OE1 3.4Å; T445-E600 PolarHBondContact OG1-OE1 3.24Å; Y596-E600 WeakPolarHBondContact O-CB 3.42Å; Y596-E600 PolarHBondContact O-N 3.05Å; N598-E600 PolarHBondContact O-N 2.74Å; E600-V603 PolarHBondContact O-N 2.77Å; E600-C604 WeakPolarHBondContact O-CB 3.39Å; E600-C604 PolarHBondContact O-N 2.87Å; E600-C604 PolarHBondContact O-SG 2.86Å
601	S	92.8	Very high	90.5	Very high	53 Å²	53	53 Å²	53	37%	0.371	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-46.4	177.1	-163.6	0	0	0	0	112.2	R597 N598 M599 C604 K605	R597-S601 PolarHBondContact O-N 2.83Å; R597-S601 VanDerWaalsContact O-N 3.12Å; N598-S601 WeakPolarHBondContact O-CB 3.49Å; N598-S601 PolarHBondContact O-N 2.92Å; N598-S601 VanDerWaalsContact O-N 3.13Å; M599-S601 VanDerWaalsContact C-N 3.32Å; M599-S601 PolarHBondContact O-N 2.78Å; S601-C604 PolarHBondContact O-N 2.93Å; S601-K605 VanDerWaalsContact O-CG 3.31Å; S601-K605 WeakPolarHBondContact O-CG 3.3Å; S601-K605 PolarHBondContact O-N 2.85Å
602	E	92.3	Very high	89.8	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-36.4	179.5	-55.9	-41.3	132.1	0	0	112.6	F465 L469 N598 M599 K605 L606	F465-E602 HydrophobicContact CE2-CB 3.72Å; F465-E602 HydrophobicContact CZ-CB 4.2Å; L469-E602 HydrophobicContact CD1-CG 4.21Å; N598-E602 WeakPolarHBondContact O-CG 3.38Å; N598-E602 PolarHBondContact O-N 2.91Å; M599-E602 PolarHBondContact O-N 3.16Å; E602-K605 PolarHBondContact O-N 3.45Å; E602-K605 IonicContact OE1-NZ 3.29Å; E602-K605 PolarHBondContact OE1-NZ 2.99Å; E602-K605 WeakPolarHBondContact OE2-CD 3.49Å; E602-K605 IonicContact OE2-NZ 2.77Å; E602-K605 PolarHBondContact OE2-NZ 3.42Å; E602-L606 PolarHBondContact O-N 2.83Å
603	V	92.7	Very high	88.3	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-44.2	173.1	172.7	0	0	0	0	111.1	V447 L454 L458 F465 M599 E600 K605 L606 E607	V447-V603 HydrophobicContact CG1-CG1 3.83Å; V447-V603 HydrophobicContact CG2-CG1 3.89Å; L454-V603 HydrophobicContact CD1-CG1 4.24Å; L458-V603 HydrophobicContact CD2-CG2 4.47Å; F465-V603 HydrophobicContact CE2-CG2 4.37Å; F465-V603 HydrophobicContact CZ-CG2 3.8Å; M599-V603 WeakPolarHBondContact O-CG2 3.39Å; M599-V603 PolarHBondContact O-N 2.92Å; E600-V603 PolarHBondContact O-N 2.77Å; V603-K605 VanDerWaalsContact C-N 3.34Å; V603-K605 PolarHBondContact O-N 2.8Å; V603-L606 PolarHBondContact O-N 3.5Å; V603-E607 WeakPolarHBondContact O-CB 3.35Å; V603-E607 PolarHBondContact O-N 2.84Å
604	C	90.6	Very high	86.6	Confident	46 Å²	46	62.2 Å²	62.2	31%	0.311	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-34.6	176.6	-67.8	0	0	0	0	113.1	E600 S601 T608	E600-C604 WeakPolarHBondContact O-CB 3.39Å; E600-C604 PolarHBondContact O-N 2.87Å; E600-C604 PolarHBondContact O-SG 2.86Å; S601-C604 PolarHBondContact O-N 2.93Å; C604-T608 PolarHBondContact O-N 3.18Å; C604-T608 PolarHBondContact O-OG1 2.95Å
605	K	90.6	Very high	84.8	Confident	98 Å²	98	61.3 Å²	61.3	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-46.4	174.1	-70.7	167.4	-165.4	171.9	0	111.4	S601 E602 V603 T608 L609	S601-K605 VanDerWaalsContact O-CG 3.31Å; S601-K605 WeakPolarHBondContact O-CG 3.3Å; S601-K605 PolarHBondContact O-N 2.85Å; E602-K605 PolarHBondContact O-N 3.45Å; E602-K605 IonicContact OE1-NZ 3.29Å; E602-K605 PolarHBondContact OE1-NZ 2.99Å; E602-K605 WeakPolarHBondContact OE2-CD 3.49Å; E602-K605 IonicContact OE2-NZ 2.77Å; E602-K605 PolarHBondContact OE2-NZ 3.42Å; V603-K605 VanDerWaalsContact C-N 3.34Å; V603-K605 PolarHBondContact O-N 2.8Å; K605-T608 WeakPolarHBondContact O-CB 3.39Å; K605-T608 PolarHBondContact O-N 2.86Å; K605-L609 WeakPolarHBondContact O-CG 3.15Å; K605-L609 PolarHBondContact O-N 2.58Å
606	L	88	Confident	82.8	Confident	54 Å²	54	64.5 Å²	64.5	28%	0.283	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-38.7	177.5	-77.4	171.8	0	0	0	112.6	L457 F465 E602 V603 T608 L609 L610	L457-L606 HydrophobicContact CD1-CD1 3.81Å; L457-L606 HydrophobicContact CD2-CD1 4.06Å; F465-L606 HydrophobicContact CD2-CD1 3.45Å; F465-L606 VanDerWaalsContact CD2-CD1 3.45Å; F465-L606 HydrophobicContact CE2-CD1 3.78Å; F465-L606 HydrophobicContact CG-CD1 4.49Å; E602-L606 PolarHBondContact O-N 2.83Å; V603-L606 PolarHBondContact O-N 3.5Å; L606-T608 PolarHBondContact O-N 2.86Å; L606-L609 HydrophobicContact CD2-CD1 4.3Å; L606-L609 PolarHBondContact O-N 2.96Å; L606-L610 WeakPolarHBondContact O-CB 3.4Å; L606-L610 VanDerWaalsContact O-CG 3.28Å; L606-L610 WeakPolarHBondContact O-CG 3.46Å; L606-L610 PolarHBondContact O-N 2.96Å
607	E	88.3	Confident	80.5	Confident	11 Å²	11	70.3 Å²	70.3	5%	0.051	38%	0.379	C	S	.	.	H	α-helix	trans	-52.1	-43.3	168.8	166.4	176.9	-179.3	0	0	111.9	V447 R448 M449 V603 Q611	V447-E607 WeakPolarHBondContact CA-OE2 3.42Å; V447-E607 HydrophobicContact CG1-CB 3.91Å; V447-E607 HydrophobicContact CG1-CG 4.28Å; V447-E607 VanDerWaalsContact CG1-OE2 3.26Å; V447-E607 WeakPolarHBondContact CG1-OE2 3.43Å; R448-E607 HydrophobicContact CB-CG 4.21Å; R448-E607 WeakPolarHBondContact CB-OE1 3.48Å; R448-E607 WeakPolarHBondContact CG-OE1 3.25Å; R448-E607 IonicContact CZ-OE1 2.95Å; R448-E607 PolarHBondContact N-OE1 3.21Å; R448-E607 PolarHBondContact N-OE2 3.15Å; R448-E607 IonicContact NE-OE1 3.65Å; R448-E607 PolarHBondContact NE-OE1 3.01Å; R448-E607 IonicContact NH1-OE1 3.31Å; R448-E607 PolarHBondContact NH1-OE1 3.49Å; R448-E607 IonicContact NH2-OE1 3.59Å; M449-E607 HydrophobicContact CE-CB 4.37Å; V603-E607 WeakPolarHBondContact O-CB 3.35Å; V603-E607 PolarHBondContact O-N 2.84Å; E607-Q611 WeakPolarHBondContact O-CG 3.36Å; E607-Q611 PolarHBondContact O-N 3.42Å; E607-Q611 PolarHBondContact O-NE2 3.45Å; E607-Q611 PolarHBondContact OE1-NE2 3.38Å
608	T	89.1	Confident	78.2	Confident	80 Å²	80	67.6 Å²	67.6	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-72.2	-39.5	-178.4	-54.7	0	0	0	0	112.1	C604 K605 L606 Q611 T612	C604-T608 PolarHBondContact O-N 3.18Å; C604-T608 PolarHBondContact O-OG1 2.95Å; K605-T608 WeakPolarHBondContact O-CB 3.39Å; K605-T608 PolarHBondContact O-N 2.86Å; L606-T608 PolarHBondContact O-N 2.86Å; T608-Q611 PolarHBondContact O-N 3.17Å; T608-T612 PolarHBondContact O-N 2.76Å; T608-T612 VanDerWaalsContact O-N 3.13Å; T608-T612 PolarHBondContact O-OG1 2.75Å
609	L	86.5	Confident	75.8	Confident	104 Å²	104	71.3 Å²	71.3	55%	0.545	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-47.8	175.5	-69	171.2	0	0	0	111.5	K605 L606 Q611 T612 E613	K605-L609 WeakPolarHBondContact O-CG 3.15Å; K605-L609 PolarHBondContact O-N 2.58Å; L606-L609 HydrophobicContact CD2-CD1 4.3Å; L606-L609 PolarHBondContact O-N 2.96Å; L609-Q611 PolarHBondContact O-N 3.03Å; L609-T612 WeakPolarHBondContact O-CA 3.46Å; L609-T612 WeakPolarHBondContact O-CB 3.31Å; L609-T612 PolarHBondContact O-N 3.39Å; L609-E613 PolarHBondContact O-N 3.31Å
610	L	82.6	Confident	73.4	Confident	65 Å²	65	73.7 Å²	73.7	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-60.5	-32.2	177.7	-71	167.7	0	0	0	112.9	M449 L606 V614	M449-L610 HydrophobicContact CE-CD1 4.04Å; L606-L610 WeakPolarHBondContact O-CB 3.4Å; L606-L610 VanDerWaalsContact O-CG 3.28Å; L606-L610 WeakPolarHBondContact O-CG 3.46Å; L606-L610 PolarHBondContact O-N 2.96Å; L610-V614 VanDerWaalsContact O-CG2 3.31Å; L610-V614 WeakPolarHBondContact O-CG2 3.4Å; L610-V614 PolarHBondContact O-N 3.32Å
611	Q	78	Confident	70.5	Confident	68 Å²	68	80.7 Å²	80.7	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-70.4	-35.8	171.5	-80.9	162.6	67.6	0	0	112.9	R448 E607 T608 L609 S615	R448-Q611 VanDerWaalsContact CZ-OE1 3.26Å; R448-Q611 VanDerWaalsContact NE-CD 3.34Å; R448-Q611 VanDerWaalsContact NE-NE2 3.17Å; E607-Q611 WeakPolarHBondContact O-CG 3.36Å; E607-Q611 PolarHBondContact O-N 3.42Å; E607-Q611 PolarHBondContact O-NE2 3.45Å; E607-Q611 PolarHBondContact OE1-NE2 3.38Å; T608-Q611 PolarHBondContact O-N 3.17Å; L609-Q611 PolarHBondContact O-N 3.03Å; Q611-S615 WeakPolarHBondContact O-CB 3.35Å; Q611-S615 PolarHBondContact O-N 2.74Å; Q611-S615 VanDerWaalsContact O-N 3.09Å
612	T	76.3	Confident	67.6	Low	81 Å²	81	83.3 Å²	83.3	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-43.5	179.5	-53.4	0	0	0	0	110.8	T608 L609 S615 V616	T608-T612 PolarHBondContact O-N 2.76Å; T608-T612 VanDerWaalsContact O-N 3.13Å; T608-T612 PolarHBondContact O-OG1 2.75Å; L609-T612 WeakPolarHBondContact O-CA 3.46Å; L609-T612 WeakPolarHBondContact O-CB 3.31Å; L609-T612 PolarHBondContact O-N 3.39Å; T612-S615 PolarHBondContact O-N 3.29Å; T612-V616 WeakPolarHBondContact O-CG2 3.37Å; T612-V616 PolarHBondContact O-N 3.47Å
613	E	61.5	Low	64.8	Low	131 Å²	131	87.8 Å²	87.8	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-63.1	-45.8	176.6	-66.8	-176.7	154.6	0	0	112.6	L609 S615 V616 V617	L609-E613 PolarHBondContact O-N 3.31Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3Å; E613-V616 PolarHBondContact O-N 2.67Å; E613-V617 PolarHBondContact O-N 2.85Å
614	V	58.2	Low	61.8	Low	94 Å²	94	91.5 Å²	91.5	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-62.3	-41.4	178.4	170.7	0	0	0	0	111.6	L610 V616 V617 T618	L610-V614 VanDerWaalsContact O-CG2 3.31Å; L610-V614 WeakPolarHBondContact O-CG2 3.4Å; L610-V614 PolarHBondContact O-N 3.32Å; V614-V616 VanDerWaalsContact C-N 3.31Å; V614-V616 PolarHBondContact O-N 3.3Å; V614-V617 PolarHBondContact O-N 2.98Å; V614-T618 PolarHBondContact O-N 3.08Å; V614-T618 PolarHBondContact O-OG1 3.25Å
615	S	53.7	Low	59	Low	72 Å²	72	94 Å²	94	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-57.2	-41.9	-179.9	-171.1	0	0	0	0	112.6	Q611 T612 E613 V617 T618	Q611-S615 WeakPolarHBondContact O-CB 3.35Å; Q611-S615 PolarHBondContact O-N 2.74Å; Q611-S615 VanDerWaalsContact O-N 3.09Å; T612-S615 PolarHBondContact O-N 3.29Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3Å; S615-V617 PolarHBondContact O-N 2.89Å; S615-T618 PolarHBondContact O-N 3.44Å; S615-T618 PolarHBondContact O-OG1 2.9Å
616	V	49.2	Very low	56.2	Low	107 Å²	107	96.9 Å²	96.9	65%	0.648	61%	0.612	S	S	*	*	H	α-helix	trans	-69.3	-30.4	-179.8	175.2	0	0	0	0	112.6	T612 E613 V614 T619	T612-V616 WeakPolarHBondContact O-CG2 3.37Å; T612-V616 PolarHBondContact O-N 3.47Å; E613-V616 PolarHBondContact O-N 2.67Å; V614-V616 VanDerWaalsContact C-N 3.31Å; V614-V616 PolarHBondContact O-N 3.3Å; V616-T619 PolarHBondContact O-OG1 2.9Å
617	V	47	Very low	53.3	Low	125 Å²	125	99.4 Å²	99.4	76%	0.758	64%	0.64	S	S	*	*	H	α-helix	trans	-78.2	-29.5	178.3	178.3	0	0	0	0	111.8	E613 V614 S615 T619	E613-V617 PolarHBondContact O-N 2.85Å; V614-V617 PolarHBondContact O-N 2.98Å; S615-V617 PolarHBondContact O-N 2.89Å; V617-T619 VanDerWaalsContact C-N 3.34Å; V617-T619 PolarHBondContact O-N 2.85Å
618	T	44.8	Very low	50.6	Low	100 Å²	100	103.2 Å²	103.2	61%	0.613	67%	0.674	S	S	*	*	S	Bend	trans	-79.1	-5.8	-177.6	46.3	0	0	0	0	115.8	V614 S615 G620	V614-T618 PolarHBondContact O-N 3.08Å; V614-T618 PolarHBondContact O-OG1 3.25Å; S615-T618 PolarHBondContact O-N 3.44Å; S615-T618 PolarHBondContact O-OG1 2.9Å; T618-G620 VanDerWaalsContact C-N 3.3Å; T618-G620 PolarHBondContact O-N 2.92Å; T618-G620 VanDerWaalsContact O-N 3.16Å
619	T	42	Very low	47.9	Very low	123 Å²	123	109.5 Å²	109.5	76%	0.755	69%	0.694	S	S	*	*			trans	-89.6	58.7	177	54.9	0	0	0	0	112.6	V616 V617	V616-T619 PolarHBondContact O-OG1 2.9Å; V617-T619 VanDerWaalsContact C-N 3.34Å; V617-T619 PolarHBondContact O-N 2.85Å
620	G	43	Very low	45.3	Very low	58 Å²	58	111 Å²	111	60%	0.598	71%	0.708	S	S	*	*	S	Bend	trans	-142.2	132.5	173.9	0	0	0	0	0	111.4	T618	T618-G620 VanDerWaalsContact C-N 3.3Å; T618-G620 PolarHBondContact O-N 2.92Å; T618-G620 VanDerWaalsContact O-N 3.16Å
621	E	34	Very low	43.5	Very low	204 Å²	204	113.4 Å²	113.4	95%	0.953	73%	0.728	S	S	*	*	S	Bend	trans	54.9	78	173.4	-62	-165.8	101.4	0	0	118.4
622	A	32	Very low	41.3	Very low	108 Å²	108	116.3 Å²	116.3	89%	0.893	75%	0.752	S	S	*	*				-162.5	121.7	128.1	0	0	0	0	0	110.8
623	A	33.2	Very low	39	Very low	112 Å²	112	117.5 Å²	117.5	93%	0.926	76%	0.764	S	S	*	*			trans	-146.3	139.9	174.9	0	0	0	0	0	111.7
624	G	30.1	Very low	37.5	Very low	80 Å²	80	117.9 Å²	117.9	83%	0.825	77%	0.769	S	S	*	*			trans	129.3	132.8	-179.8	0	0	0	0	0	112.1
625	A	30.8	Very low	36	Very low	100 Å²	100	123.9 Å²	123.9	83%	0.826	78%	0.782	S	S	*	*			cis	-150.9	171.5	-2	0	0	0	0	0	111.9
626	D	31.1	Very low	34.8	Very low	158 Å²	158	131.9 Å²	131.9	85%	0.845	80%	0.801	S	S	*	*			trans	-71.3	152.2	-163.5	-59	-99.3	0	0	0	118.1
627	A	28.5	Very low	33.8	Very low	106 Å²	106	138 Å²	138	88%	0.876	81%	0.812	S	S	*	*			trans	-151.8	90.4	141.2	0	0	0	0	0	110.9
628	A	32	Very low	32.9	Very low	92 Å²	92	138.9 Å²	138.9	76%	0.76	81%	0.806	S	S	*	*			trans	-80.4	148.7	-177.2	0	0	0	0	0	114.1
629	K	32.1	Very low	32.1	Very low	212 Å²	212	144.2 Å²	144.2	92%	0.922	82%	0.815	S	S	*	*			trans	-157.8	137	149.9	-113	155.8	-170.5	169.7	0	112.7
630	T	32.1	Very low	31.2	Very low	135 Å²	135	142.8 Å²	142.8	83%	0.828	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-90.9	163.1	-173.1	25.7	0	0	0	0	113.5
631	P	44.8	Very low	30.3	Very low	116 Å²	116	144.7 Å²	144.7	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.2	154.8	-170.4	35.4	-36.8	0	0	0	114.4
632	P	30.4	Very low	29.8	Very low	129 Å²	129	140.5 Å²	140.5	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.5	173.4	158.5	36.6	-32.5	0	0	0	111.6
633	S	27.6	Very low	29.5	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	81%	0.805	S	S	*	*			trans	-141.6	-176.2	-168.9	54.9	0	0	0	0	113
634	L	30.9	Very low	29.1	Very low	140 Å²	140	148.3 Å²	148.3	73%	0.733	80%	0.795	S	S	*	*			trans	85.6	115.8	158.7	-62.6	174.6	0	0	0	121.5
635	R	26	Very low	28.9	Very low	220 Å²	220	151.3 Å²	151.3	83%	0.83	79%	0.788	S	S	*	*				82	87.4	109.1	-164.4	-176.3	-171.3	138.9	-3.4	121.8
636	R	29.4	Very low	28.7	Very low	239 Å²	239	151.5 Å²	151.5	90%	0.902	78%	0.783	S	S	*	*				40.1	104.5	123.1	-172.5	-165.8	-172.7	-170.7	5.6	120.1
637	R	27.8	Very low	28.5	Very low	237 Å²	237	151.7 Å²	151.7	89%	0.894	78%	0.779	S	S	*	*			trans	-175	164.6	138.2	-102.9	-172.8	177.5	-169.7	0.2	110.7
638	K	27.5	Very low	28.4	Very low	142 Å²	142	158.5 Å²	158.5	62%	0.617	78%	0.782	S	S	*	*			cis	178.5	132.5	-41.6	169.3	172.6	178.6	177.6	0	111.6
639	R	29.1	Very low	28.1	Very low	212 Å²	212	163.4 Å²	163.4	80%	0.8	79%	0.789	S	S	*	*			trans	68.9	159.8	171.1	-71.7	172.5	177.9	169	-4.2	114.7
640	A	23.5	Very low	27.9	Very low	93 Å²	93	157.3 Å²	157.3	77%	0.769	79%	0.787	S	S	*	*			cis	-151	177.9	16.4	0	0	0	0	0	110.9
641	S	24	Very low	27.6	Very low	98 Å²	98	155 Å²	155	69%	0.685	79%	0.789	S	S	*	*			cis	-179.8	159.7	-35.2	-83.3	0	0	0	0	109.7
642	S	23.7	Very low	26.7	Very low	116 Å²	116	153 Å²	153	81%	0.811	79%	0.79	S	S	*	*			trans	74.1	150.8	168.4	-116.3	0	0	0	0	116.3
643	R	25.4	Very low	26.6	Very low	193 Å²	193	151.4 Å²	151.4	73%	0.728	79%	0.788	S	S	*	*			cis	-166.1	156.8	3.6	-155	-174.5	178.4	174	0.5	111.4
644	R	24.9	Very low	26.6	Very low	192 Å²	192	155.4 Å²	155.4	73%	0.725	80%	0.795	S	S	*	*			trans	69.7	152.8	154.6	-93.6	-179.3	173.2	-176	-5.9	118.1
645	Q	25	Very low	26.6	Very low	143 Å²	143	153.9 Å²	153.9	67%	0.668	80%	0.802	S	S	*	*			cis	-156.1	152.2	-9.7	-169.1	161.1	-35.7	0	0	113.1
646	S	26.3	Very low	26.6	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	80%	0.803	S	S	*	*			trans	122.7	118.9	141.3	-155.9	0	0	0	0	115.3
647	E	26.6	Very low	26.6	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	79%	0.791	S	S	*	*			trans	-83	170.8	169.8	-49.9	102.3	130.3	0	0	112.7
648	R	26.6	Very low	26.6	Very low	249 Å²	249	141.3 Å²	141.3	94%	0.94	79%	0.789	S	S	*	*				-160.1	116.6	124.3	-113.9	172.3	-179	168.5	0.2	113
649	E	26.7	Very low	26.6	Very low	194 Å²	194	138.4 Å²	138.4	91%	0.907	80%	0.8	S	S	*	*			trans	-114.5	161.9	155.3	-79.4	-168.4	112.6	0	0	109.2
650	G	27	Very low	26.6	Very low	85 Å²	85	135.5 Å²	135.5	88%	0.876	80%	0.795	S	S	*	*			trans	87.4	153.6	149.9	0	0	0	0	0	118.4
651	G	25.9	Very low	26.7	Very low	85 Å²	85	141.3 Å²	141.3	88%	0.876	80%	0.798	S	S	*	*			trans	128.6	113.7	172.5	0	0	0	0	0	112.4
652	G	26.3	Very low	26.8	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	80%	0.804	S	S	*	*			trans	-119	-175	-178.7	0	0	0	0	0	114.4
653	A	28.2	Very low	27	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	81%	0.81	S	S	*	*			trans	81.3	119	157.3	0	0	0	0	0	120.9
654	E	28.2	Very low	27.1	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	80%	0.804	S	S	*	*			trans	88.6	136.1	134.4	-71.6	-169.9	139.5	0	0	125.1
655	A	29.8	Very low	27.2	Very low	108 Å²	108	135.7 Å²	135.7	89%	0.893	81%	0.811	S	S	*	*			trans	66.7	119.5	153	0	0	0	0	0	121.4
656	G	27.7	Very low	27.3	Very low	82 Å²	82	135.1 Å²	135.1	85%	0.845	81%	0.808	S	S	*	*			trans	171.1	79.1	171.3	0	0	0	0	0	115.6
657	D	28	Very low	27.4	Very low	122 Å²	122	140 Å²	140	65%	0.652	81%	0.811	S	S	*	*			trans	-45.3	159.5	-176.4	-175.4	40.5	0	0	0	120.5
658	R	29.2	Very low	27.4	Very low	227 Å²	227	137.6 Å²	137.6	86%	0.857	80%	0.804	S	S	*	*			trans	65.4	141	156.8	-92.8	172.3	-177.7	111.6	-8.6	122.3
659	G	27.5	Very low	27.5	Very low	81 Å²	81	134.6 Å²	134.6	84%	0.835	79%	0.792	S	S	*	*			trans	162.9	98.1	156.8	0	0	0	0	0	115.4
660	E	27.6	Very low	27.6	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	79%	0.786	S	S	*	*			trans	-82.6	150	-175.2	-86.2	-144.1	99.2	0	0	116.6
661	R	27.1	Very low	27.6	Very low	216 Å²	216	136 Å²	136	82%	0.815	77%	0.767	S	S	*	*				31.6	121.6	124.7	-156.7	-160.5	-52.6	-140.1	7.8	118.2
662	G	26	Very low	27.5	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	77%	0.765	S	S	*	*			trans	-164.5	128	169.4	0	0	0	0	0	115.6
663	V	27.1	Very low	27.4	Very low	153 Å²	153	138.7 Å²	138.7	93%	0.927	77%	0.767	S	S	*	*			trans	-114.4	146.6	-179.6	166.3	0	0	0	0	110
664	G	26.5	Very low	27.5	Very low	58 Å²	58	138.8 Å²	138.8	60%	0.598	77%	0.768	S	S	*	*			trans	107.9	143.5	138	0	0	0	0	0	119.7
665	E	27.4	Very low	28.3	Very low	189 Å²	189	135 Å²	135	88%	0.883	76%	0.76	S	S	*	*			trans	59	171.2	151.8	-65.6	179.5	79.6	0	0	119.6
666	E	27.2	Very low	28.1	Very low	131 Å²	131	138.2 Å²	138.2	61%	0.612	75%	0.754	S	S	*	*				-160.8	156.8	-56.9	-164.6	-174.6	99.5	0	0	107.1
667	R	27.8	Very low	28.1	Very low	206 Å²	206	140.9 Å²	140.9	78%	0.777	75%	0.748	S	S	*	*			trans	69	155.7	157.1	-99.4	170.6	175.3	159.5	-4	115.9
668	N	27.4	Very low	28.1	Very low	113 Å²	113	143.8 Å²	143.8	60%	0.604	76%	0.755	S	S	*	*			cis	-166.2	163.7	-3.1	-155.9	-6.6	0	0	0	110
669	R	28.5	Very low	28	Very low	185 Å²	185	141.6 Å²	141.6	70%	0.698	76%	0.759	S	S	*	*			trans	67	161.6	153.3	-84.6	174.7	150.5	140.4	3	119.7	E671	R669-E671 IonicContact CZ-OE1 2.73Å; R669-E671 IonicContact NE-OE1 3.61Å; R669-E671 PolarHBondContact NE-OE1 3.2Å; R669-E671 IonicContact NH2-OE1 2.77Å; R669-E671 PolarHBondContact NH2-OE1 3.48Å
670	R	28.8	Very low	27.9	Very low	207 Å²	207	140.8 Å²	140.8	78%	0.781	75%	0.751	S	S	*	*			cis	-125.4	-138.5	10.2	-146.9	-162.9	158.6	-166.5	-13.8	116.2
671	E	26.6	Very low	28.2	Very low	101 Å²	101	143 Å²	143	47%	0.472	76%	0.761	S	S	.	*			trans	-149.3	112.9	-145.6	-63.8	142.6	-153.3	0	0	112.8	R669	R669-E671 IonicContact CZ-OE1 2.73Å; R669-E671 IonicContact NE-OE1 3.61Å; R669-E671 PolarHBondContact NE-OE1 3.2Å; R669-E671 IonicContact NH2-OE1 2.77Å; R669-E671 PolarHBondContact NH2-OE1 3.48Å
672	A	24.7	Very low	28.4	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	77%	0.768	S	S	*	*			trans	-168.9	149.4	166.1	0	0	0	0	0	113
673	S	23.4	Very low	28.7	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	76%	0.762	S	S	*	*			cis	-172.4	143.2	-32.7	46.6	0	0	0	0	109.2
674	A	30.3	Very low	29	Very low	96 Å²	96	149 Å²	149	79%	0.793	76%	0.763	S	S	*	*			trans	-90.5	-161.8	-178.3	0	0	0	0	0	112.2
675	P	45.9	Very low	29.2	Very low	111 Å²	111	150.9 Å²	150.9	72%	0.721	77%	0.774	S	S	*	*			cis	-118.2	-174.9	25.1	43.5	-28.3	0	0	0	113
676	F	25.4	Very low	29.9	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.763	78%	0.775	S	S	*	*			cis	-149.8	-157	20.8	-136.1	166.6	0	0	0	109.1
677	L	28.4	Very low	30.4	Very low	139 Å²	139	143.1 Å²	143.1	73%	0.728	78%	0.779	S	S	*	*			cis	-126.6	-119.1	9	-136.2	-179	0	0	0	113.1
678	K	26.5	Very low	31.5	Very low	182 Å²	182	142.9 Å²	142.9	79%	0.791	79%	0.787	S	S	*	*			trans	-164.9	132.3	-157.9	-173.7	-180	-175.9	178.3	0	114.3
679	L	28.2	Very low	32.8	Very low	181 Å²	181	139.2 Å²	139.2	95%	0.948	78%	0.776	S	S	*	*			trans	-135.3	142.2	152.5	-172.9	61.2	0	0	0	108.1
680	G	26	Very low	34.3	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	77%	0.765	S	S	*	*			trans	-91.2	149.6	-157.4	0	0	0	0	0	116.7
681	E	33.5	Very low	35.9	Very low	197 Å²	197	129.3 Å²	129.3	92%	0.921	76%	0.761	S	S	*	*			trans	-69.7	151.8	166.6	-64.4	176	84.3	0	0	112.8
682	R	30.2	Very low	38	Very low	255 Å²	255	127.5 Å²	127.5	96%	0.962	76%	0.76	S	S	*	*			trans	-152.1	79.1	151.2	-156.6	177	-164.9	179.3	4.8	111.1
683	G	32.1	Very low	40.4	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	74%	0.742	S	S	*	*			trans	-89.1	153.6	-177	0	0	0	0	0	114.8
684	R	33.5	Very low	43.2	Very low	252 Å²	252	124.8 Å²	124.8	95%	0.951	73%	0.728	S	S	*	*			trans	-166.7	152.2	138	-117.5	175.1	177	165.1	-0.3	113.8
685	A	31.7	Very low	45.8	Very low	99 Å²	99	125.7 Å²	125.7	82%	0.818	72%	0.719	S	S	*	*			trans	66.1	105.4	155.5	0	0	0	0	0	120.3
686	G	41.3	Very low	47.6	Very low	88 Å²	88	125.7 Å²	125.7	91%	0.907	71%	0.712	S	S	*	*				94.1	115.7	126.7	0	0	0	0	0	118.4
687	G	38.7	Very low	50.6	Low	69 Å²	69	122.2 Å²	122.2	71%	0.711	70%	0.7	S	S	*	*			trans	160.3	93.9	161.4	0	0	0	0	0	116.1	G689	G687-G689 PolarHBondContact O-N 3.31Å; G687-G689 VanDerWaalsContact O-N 3.11Å
688	H	49.7	Very low	53.4	Low	201 Å²	201	119 Å²	119	93%	0.931	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	14.7	159.8	-89.6	66.3	0	0	0	112.6
689	G	55.5	Low	56.4	Low	36 Å²	36	113.4 Å²	113.4	37%	0.371	67%	0.67	S	S	.	*	H	α-helix	trans	-81.3	-38.2	-169	0	0	0	0	0	115.3	G687 I691 S692 T693	G687-G689 PolarHBondContact O-N 3.31Å; G687-G689 VanDerWaalsContact O-N 3.11Å; G689-I691 PolarHBondContact O-N 3.37Å; G689-S692 WeakPolarHBondContact O-CA 3.36Å; G689-S692 WeakPolarHBondContact O-CB 3.39Å; G689-S692 PolarHBondContact O-N 3.13Å; G689-T693 PolarHBondContact O-N 3.45Å; G689-T693 PolarHBondContact O-OG1 2.98Å
690	G	59	Low	59.5	Low	46 Å²	46	111.5 Å²	111.5	47%	0.474	66%	0.655	S	S	.	*	H	α-helix	trans	-60.6	-37.4	-166.6	0	0	0	0	0	115.2	T693 V694	G690-T693 PolarHBondContact O-OG1 3.3Å; G690-T693 VanDerWaalsContact O-OG1 3.09Å; G690-V694 VanDerWaalsContact O-CG2 3.31Å; G690-V694 WeakPolarHBondContact O-CG2 3.22Å; G690-V694 PolarHBondContact O-N 2.95Å; G690-V694 VanDerWaalsContact O-N 3.16Å
691	I	62.9	Low	62.6	Low	137 Å²	137	112.8 Å²	112.8	70%	0.703	65%	0.645	S	S	*	*	H	α-helix	trans	-71.2	-40.1	176.2	-59.4	173.7	0	0	0	110.1	G689 V694 L695	G689-I691 PolarHBondContact O-N 3.37Å; I691-V694 PolarHBondContact O-N 2.97Å; I691-L695 HydrophobicContact CG2-CD1 3.95Å; I691-L695 HydrophobicContact CG2-CG 4.43Å; I691-L695 WeakPolarHBondContact O-CB 3.27Å; I691-L695 VanDerWaalsContact O-CG 3.29Å; I691-L695 WeakPolarHBondContact O-CG 3.45Å; I691-L695 PolarHBondContact O-N 3.48Å
692	S	70.7	Confident	65.4	Low	64 Å²	64	108.1 Å²	108.1	45%	0.448	63%	0.626	S	S	.	*	H	α-helix	trans	-65	-43.9	177.5	-177.9	0	0	0	0	111.9	G689 L695 L696	G689-S692 WeakPolarHBondContact O-CA 3.36Å; G689-S692 WeakPolarHBondContact O-CB 3.39Å; G689-S692 PolarHBondContact O-N 3.13Å; S692-L695 PolarHBondContact O-N 3.02Å; S692-L696 WeakPolarHBondContact O-CB 3.28Å; S692-L696 VanDerWaalsContact O-CG 3.26Å; S692-L696 WeakPolarHBondContact O-CG 3.46Å; S692-L696 PolarHBondContact O-N 2.83Å
693	T	75	Confident	68.5	Low	74 Å²	74	100.3 Å²	100.3	45%	0.454	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-40.2	177.7	52.5	0	0	0	0	112.2	G689 G690 L696 I697	G689-T693 PolarHBondContact O-N 3.45Å; G689-T693 PolarHBondContact O-OG1 2.98Å; G690-T693 PolarHBondContact O-OG1 3.3Å; G690-T693 VanDerWaalsContact O-OG1 3.09Å; T693-L696 PolarHBondContact O-N 2.79Å; T693-I697 WeakPolarHBondContact O-CD1 3.25Å; T693-I697 VanDerWaalsContact O-CG1 3.25Å; T693-I697 WeakPolarHBondContact O-CG1 3.33Å; T693-I697 PolarHBondContact O-N 3Å
694	V	82	Confident	71.4	Confident	88 Å²	88	99.9 Å²	99.9	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-64.8	-43.5	174.9	171.3	0	0	0	0	111.5	G690 I691 L696 I697 V698	G690-V694 VanDerWaalsContact O-CG2 3.31Å; G690-V694 WeakPolarHBondContact O-CG2 3.22Å; G690-V694 PolarHBondContact O-N 2.95Å; G690-V694 VanDerWaalsContact O-N 3.16Å; I691-V694 PolarHBondContact O-N 2.97Å; V694-L696 VanDerWaalsContact C-N 3.34Å; V694-L696 PolarHBondContact O-N 3.33Å; V694-I697 PolarHBondContact O-N 2.81Å; V694-V698 HydrophobicContact CG1-CG2 4.48Å; V694-V698 WeakPolarHBondContact O-CG2 3.44Å; V694-V698 PolarHBondContact O-N 2.9Å
695	L	84.5	Confident	74.1	Confident	114 Å²	114	91.9 Å²	91.9	60%	0.597	57%	0.566	S	S	*	*	H	α-helix	trans	-64.4	-36.9	175.7	-72.1	172.8	0	0	0	112.5	I691 S692 S699	I691-L695 HydrophobicContact CG2-CD1 3.95Å; I691-L695 HydrophobicContact CG2-CG 4.43Å; I691-L695 WeakPolarHBondContact O-CB 3.27Å; I691-L695 VanDerWaalsContact O-CG 3.29Å; I691-L695 WeakPolarHBondContact O-CG 3.45Å; I691-L695 PolarHBondContact O-N 3.48Å; S692-L695 PolarHBondContact O-N 3.02Å; L695-S699 WeakPolarHBondContact O-CB 3.39Å; L695-S699 PolarHBondContact O-N 2.66Å
696	L	84.6	Confident	77.1	Confident	112 Å²	112	91.4 Å²	91.4	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-66.1	-40	173.6	-74.4	168.5	0	0	0	112.1	S692 T693 V694 S699 F700	S692-L696 WeakPolarHBondContact O-CB 3.28Å; S692-L696 VanDerWaalsContact O-CG 3.26Å; S692-L696 WeakPolarHBondContact O-CG 3.46Å; S692-L696 PolarHBondContact O-N 2.83Å; T693-L696 PolarHBondContact O-N 2.79Å; V694-L696 VanDerWaalsContact C-N 3.34Å; V694-L696 PolarHBondContact O-N 3.33Å; L696-S699 PolarHBondContact O-N 3.09Å; L696-F700 VanDerWaalsContact O-CB 3.27Å; L696-F700 WeakPolarHBondContact O-CB 3.36Å; L696-F700 PolarHBondContact O-N 3.47Å
697	I	87.7	Confident	79.5	Confident	100 Å²	100	90 Å²	90	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-65.2	-45.9	175.3	-70.1	162.4	0	0	0	110.9	T693 V694 F700 I701	T693-I697 WeakPolarHBondContact O-CD1 3.25Å; T693-I697 VanDerWaalsContact O-CG1 3.25Å; T693-I697 WeakPolarHBondContact O-CG1 3.33Å; T693-I697 PolarHBondContact O-N 3Å; V694-I697 PolarHBondContact O-N 2.81Å; I697-F700 PolarHBondContact O-N 3.43Å; I697-I701 HydrophobicContact CG2-CD1 3.8Å; I697-I701 WeakPolarHBondContact O-CB 3.34Å; I697-I701 VanDerWaalsContact O-CG1 3.28Å; I697-I701 WeakPolarHBondContact O-CG1 3.44Å; I697-I701 PolarHBondContact O-N 2.91Å
698	V	88.6	Confident	81.9	Confident	73 Å²	73	91.4 Å²	91.4	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-41	177	172.4	0	0	0	0	111.3	V694 I701 L702	V694-V698 HydrophobicContact CG1-CG2 4.48Å; V694-V698 WeakPolarHBondContact O-CG2 3.44Å; V694-V698 PolarHBondContact O-N 2.9Å; V698-I701 PolarHBondContact O-N 2.84Å; V698-L702 HydrophobicContact CG1-CD1 4.13Å; V698-L702 WeakPolarHBondContact O-CB 3.47Å; V698-L702 WeakPolarHBondContact O-CG 3.41Å; V698-L702 PolarHBondContact O-N 3.15Å
699	S	89.7	Confident	83.5	Confident	64 Å²	64	86.5 Å²	86.5	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-62.1	-44.7	174	-175.2	0	0	0	0	111.8	L695 L696 I701 L702 V703	L695-S699 WeakPolarHBondContact O-CB 3.39Å; L695-S699 PolarHBondContact O-N 2.66Å; L696-S699 PolarHBondContact O-N 3.09Å; S699-I701 PolarHBondContact O-N 3.27Å; S699-L702 PolarHBondContact O-N 3.28Å; S699-V703 WeakPolarHBondContact O-CG2 3.16Å; S699-V703 PolarHBondContact O-N 3.32Å
700	F	93	Very high	85.2	Confident	141 Å²	141	90.7 Å²	90.7	62%	0.618	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-44.3	175.4	-179.9	-99.4	0	0	0	112	L696 I697 L702 V703 V704	L696-F700 VanDerWaalsContact O-CB 3.27Å; L696-F700 WeakPolarHBondContact O-CB 3.36Å; L696-F700 PolarHBondContact O-N 3.47Å; I697-F700 PolarHBondContact O-N 3.43Å; F700-L702 VanDerWaalsContact C-N 3.33Å; F700-L702 PolarHBondContact O-N 2.85Å; F700-V703 PolarHBondContact O-N 2.91Å; F700-V704 HydrophobicContact CD1-CG2 4.26Å; F700-V704 HydrophobicContact CE1-CG2 3.9Å; F700-V704 HydrophobicContact CE2-CG2 4.32Å; F700-V704 HydrophobicContact CZ-CG2 3.93Å; F700-V704 WeakPolarHBondContact O-CB 3.38Å; F700-V704 WeakPolarHBondContact O-CG2 3.3Å; F700-V704 PolarHBondContact O-N 3.32Å
701	I	90.8	Very high	86.6	Confident	90 Å²	90	92.8 Å²	92.8	46%	0.462	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-40.8	175.3	-70.1	165.6	0	0	0	111.1	I697 V698 S699 V704 L705	I697-I701 HydrophobicContact CG2-CD1 3.8Å; I697-I701 WeakPolarHBondContact O-CB 3.34Å; I697-I701 VanDerWaalsContact O-CG1 3.28Å; I697-I701 WeakPolarHBondContact O-CG1 3.44Å; I697-I701 PolarHBondContact O-N 2.91Å; V698-I701 PolarHBondContact O-N 2.84Å; S699-I701 PolarHBondContact O-N 3.27Å; I701-V704 PolarHBondContact O-N 2.87Å; I701-L705 HydrophobicContact CG2-CD1 4.02Å; I701-L705 WeakPolarHBondContact O-CB 3.35Å; I701-L705 WeakPolarHBondContact O-CG 3.46Å; I701-L705 PolarHBondContact O-N 2.81Å
702	L	92.4	Very high	87.6	Confident	100 Å²	100	92.1 Å²	92.1	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-42.5	174.5	-78.5	166.2	0	0	0	112.4	V698 S699 F700 L705 V706	V698-L702 HydrophobicContact CG1-CD1 4.13Å; V698-L702 WeakPolarHBondContact O-CB 3.47Å; V698-L702 WeakPolarHBondContact O-CG 3.41Å; V698-L702 PolarHBondContact O-N 3.15Å; S699-L702 PolarHBondContact O-N 3.28Å; F700-L702 VanDerWaalsContact C-N 3.33Å; F700-L702 PolarHBondContact O-N 2.85Å; L702-L705 PolarHBondContact O-N 3.4Å; L702-V706 WeakPolarHBondContact O-CG2 3.47Å; L702-V706 PolarHBondContact O-N 3.07Å
703	V	94.8	Very high	88.4	Confident	91 Å²	91	95.5 Å²	95.5	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-41.5	175.4	170.2	0	0	0	0	111.1	S699 F700 V706 A707	S699-V703 WeakPolarHBondContact O-CG2 3.16Å; S699-V703 PolarHBondContact O-N 3.32Å; F700-V703 PolarHBondContact O-N 2.91Å; V703-V706 PolarHBondContact O-N 3.43Å; V703-A707 WeakPolarHBondContact O-CB 3.33Å; V703-A707 PolarHBondContact O-N 2.97Å
704	V	94	Very high	89.2	Confident	59 Å²	59	99.1 Å²	99.1	36%	0.358	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-41.7	173.8	170.4	0	0	0	0	111.2	F700 I701 A707 L708	F700-V704 HydrophobicContact CD1-CG2 4.26Å; F700-V704 HydrophobicContact CE1-CG2 3.9Å; F700-V704 HydrophobicContact CE2-CG2 4.32Å; F700-V704 HydrophobicContact CZ-CG2 3.93Å; F700-V704 WeakPolarHBondContact O-CB 3.38Å; F700-V704 WeakPolarHBondContact O-CG2 3.3Å; F700-V704 PolarHBondContact O-N 3.32Å; I701-V704 PolarHBondContact O-N 2.87Å; V704-A707 PolarHBondContact O-N 2.78Å; V704-L708 HydrophobicContact CG1-CD1 3.85Å; V704-L708 HydrophobicContact CG1-CG 4.28Å; V704-L708 WeakPolarHBondContact O-CB 3.2Å; V704-L708 VanDerWaalsContact O-CG 3.26Å; V704-L708 WeakPolarHBondContact O-CG 3.3Å; V704-L708 PolarHBondContact O-N 2.8Å
705	L	90.1	Very high	89.2	Confident	84 Å²	84	101.4 Å²	101.4	44%	0.44	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.8	-84.6	163.5	0	0	0	112.3	I701 L702 L708 N709	I701-L705 HydrophobicContact CG2-CD1 4.02Å; I701-L705 WeakPolarHBondContact O-CB 3.35Å; I701-L705 WeakPolarHBondContact O-CG 3.46Å; I701-L705 PolarHBondContact O-N 2.81Å; L702-L705 PolarHBondContact O-N 3.4Å; L705-L708 PolarHBondContact O-N 2.95Å; L705-N709 WeakPolarHBondContact O-CB 3.39Å; L705-N709 PolarHBondContact O-N 3.24Å; L705-N709 PolarHBondContact O-ND2 2.84Å
706	V	95.1	Very high	89.2	Confident	89 Å²	89	100.8 Å²	100.8	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-66.6	-42	175.3	170.3	0	0	0	0	110.9	L702 V703 N709 M710	L702-V706 WeakPolarHBondContact O-CG2 3.47Å; L702-V706 PolarHBondContact O-N 3.07Å; V703-V706 PolarHBondContact O-N 3.43Å; V706-N709 PolarHBondContact O-N 3.08Å; V706-M710 WeakPolarHBondContact O-CB 3.31Å; V706-M710 WeakPolarHBondContact O-CG 3.28Å; V706-M710 PolarHBondContact O-N 2.69Å
707	A	91.3	Very high	89.3	Confident	58 Å²	58	100.3 Å²	100.3	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.2	0	0	0	0	0	112.4	V703 V704 M710 L711	V703-A707 WeakPolarHBondContact O-CB 3.33Å; V703-A707 PolarHBondContact O-N 2.97Å; V704-A707 PolarHBondContact O-N 2.78Å; A707-M710 PolarHBondContact O-N 2.85Å; A707-L711 WeakPolarHBondContact O-CB 3.28Å; A707-L711 PolarHBondContact O-N 3.17Å
708	L	89.4	Confident	89	Confident	98 Å²	98	97.5 Å²	97.5	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-68.3	-40.3	174.8	-73.3	172.8	0	0	0	111.9	V704 L705 L711 L712	V704-L708 HydrophobicContact CG1-CD1 3.85Å; V704-L708 HydrophobicContact CG1-CG 4.28Å; V704-L708 WeakPolarHBondContact O-CB 3.2Å; V704-L708 VanDerWaalsContact O-CG 3.26Å; V704-L708 WeakPolarHBondContact O-CG 3.3Å; V704-L708 PolarHBondContact O-N 2.8Å; L705-L708 PolarHBondContact O-N 2.95Å; L708-L711 PolarHBondContact O-N 2.96Å; L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 PolarHBondContact O-N 2.91Å
709	N	83.2	Confident	88.3	Confident	98 Å²	98	99.9 Å²	99.9	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-38.4	173.7	-81.2	-71.6	0	0	0	112	L705 V706 L712 F713	L705-N709 WeakPolarHBondContact O-CB 3.39Å; L705-N709 PolarHBondContact O-N 3.24Å; L705-N709 PolarHBondContact O-ND2 2.84Å; V706-N709 PolarHBondContact O-N 3.08Å; N709-L712 PolarHBondContact O-N 2.67Å; N709-F713 VanDerWaalsContact O-CB 3.29Å; N709-F713 WeakPolarHBondContact O-CB 3.25Å; N709-F713 PolarHBondContact O-N 2.92Å
710	M	89.9	Confident	87.7	Confident	124 Å²	124	101.8 Å²	101.8	61%	0.611	52%	0.519	S	S	*	.	H	α-helix	trans	-64.6	-38.5	171.7	-81.4	-68.7	-168.2	0	0	112.1	V706 A707 F713 Y714	V706-M710 WeakPolarHBondContact O-CB 3.31Å; V706-M710 WeakPolarHBondContact O-CG 3.28Å; V706-M710 PolarHBondContact O-N 2.69Å; A707-M710 PolarHBondContact O-N 2.85Å; M710-F713 PolarHBondContact O-N 3.32Å; M710-Y714 VanDerWaalsContact O-CB 3.24Å; M710-Y714 WeakPolarHBondContact O-CB 3.25Å; M710-Y714 PolarHBondContact O-N 3.18Å
711	L	88.3	Confident	86.9	Confident	90 Å²	90	102.5 Å²	102.5	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-67.3	-39.7	173.5	-179.7	61.4	0	0	0	111.5	A707 L708 Y714 K715	A707-L711 WeakPolarHBondContact O-CB 3.28Å; A707-L711 PolarHBondContact O-N 3.17Å; L708-L711 PolarHBondContact O-N 2.96Å; L711-Y714 PolarHBondContact O-N 2.78Å; L711-K715 HydrophobicContact CD1-CG 4.49Å; L711-K715 WeakPolarHBondContact O-CB 3.49Å; L711-K715 VanDerWaalsContact O-CG 3.22Å; L711-K715 WeakPolarHBondContact O-CG 3.2Å; L711-K715 PolarHBondContact O-N 3.46Å
712	L	83.7	Confident	86.1	Confident	124 Å²	124	100.8 Å²	100.8	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-43.4	175.4	-156.1	87.1	0	0	0	110.9	L708 N709 K715 L716	L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 PolarHBondContact O-N 2.91Å; N709-L712 PolarHBondContact O-N 2.67Å; L712-K715 PolarHBondContact O-N 2.91Å; L712-L716 WeakPolarHBondContact O-CB 3.35Å; L712-L716 PolarHBondContact O-N 3.4Å
713	F	89.1	Confident	84.9	Confident	134 Å²	134	97.9 Å²	97.9	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-42	174.8	-174.7	-94.8	0	0	0	111.6	N709 M710 L716 Y717	N709-F713 VanDerWaalsContact O-CB 3.29Å; N709-F713 WeakPolarHBondContact O-CB 3.25Å; N709-F713 PolarHBondContact O-N 2.92Å; M710-F713 PolarHBondContact O-N 3.32Å; F713-L716 PolarHBondContact O-N 2.83Å; F713-Y717 VanDerWaalsContact O-CB 3.24Å; F713-Y717 WeakPolarHBondContact O-CB 3.25Å; F713-Y717 PolarHBondContact O-N 2.96Å
714	Y	91.3	Very high	83.3	Confident	150 Å²	150	97.6 Å²	97.6	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-63.4	-40.8	173.6	176.1	-96.6	0	0	0	112	M710 L711 A718	M710-Y714 VanDerWaalsContact O-CB 3.24Å; M710-Y714 WeakPolarHBondContact O-CB 3.25Å; M710-Y714 PolarHBondContact O-N 3.18Å; L711-Y714 PolarHBondContact O-N 2.78Å; Y714-A718 VanDerWaalsContact O-CB 3.23Å; Y714-A718 WeakPolarHBondContact O-CB 3.12Å; Y714-A718 PolarHBondContact O-N 2.8Å
715	K	81.6	Confident	81.6	Confident	137 Å²	137	98.1 Å²	98.1	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-43.9	173.1	-75.3	-75.2	-176	177	0	111.4	L711 L712 A718 L719	L711-K715 HydrophobicContact CD1-CG 4.49Å; L711-K715 WeakPolarHBondContact O-CB 3.49Å; L711-K715 VanDerWaalsContact O-CG 3.22Å; L711-K715 WeakPolarHBondContact O-CG 3.2Å; L711-K715 PolarHBondContact O-N 3.46Å; L712-K715 PolarHBondContact O-N 2.91Å; K715-A718 PolarHBondContact O-N 3.42Å; K715-L719 WeakPolarHBondContact O-CB 3.36Å; K715-L719 PolarHBondContact O-N 2.86Å
716	L	85.3	Confident	79.9	Confident	101 Å²	101	99.4 Å²	99.4	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-47.9	176.9	-172.5	68.1	0	0	0	111.1	L712 F713 A718 L719 E720	L712-L716 WeakPolarHBondContact O-CB 3.35Å; L712-L716 PolarHBondContact O-N 3.4Å; F713-L716 PolarHBondContact O-N 2.83Å; L716-A718 VanDerWaalsContact C-N 3.35Å; L716-A718 PolarHBondContact O-N 2.8Å; L716-L719 CarbonylContact O-C 3.59Å; L716-L719 WeakPolarHBondContact O-CB 3.5Å; L716-L719 PolarHBondContact O-N 3.04Å; L716-L719 VanDerWaalsContact O-N 3.12Å; L716-E720 WeakPolarHBondContact O-CB 3.13Å; L716-E720 PolarHBondContact O-N 3.35Å
717	Y	86.2	Confident	78.1	Confident	101 Å²	101	100.7 Å²	100.7	40%	0.396	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-37.9	175.2	172.5	-102.1	0	0	0	112.5	F713 L719 R721	F713-Y717 VanDerWaalsContact O-CB 3.24Å; F713-Y717 WeakPolarHBondContact O-CB 3.25Å; F713-Y717 PolarHBondContact O-N 2.96Å; Y717-L719 VanDerWaalsContact C-N 3.34Å; Y717-R721 WeakPolarHBondContact O-CB 3.34Å; Y717-R721 PolarHBondContact O-N 3.37Å; Y717-R721 PolarHBondContact OH-NH1 3.26Å
718	A	81	Confident	76.2	Confident	42 Å²	42	105 Å²	105	35%	0.347	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-35.7	173.6	0	0	0	0	0	112	Y714 K715 L716 A722	Y714-A718 VanDerWaalsContact O-CB 3.23Å; Y714-A718 WeakPolarHBondContact O-CB 3.12Å; Y714-A718 PolarHBondContact O-N 2.8Å; K715-A718 PolarHBondContact O-N 3.42Å; L716-A718 VanDerWaalsContact C-N 3.35Å; L716-A718 PolarHBondContact O-N 2.8Å; A718-A722 VanDerWaalsContact O-CB 3.31Å; A718-A722 WeakPolarHBondContact O-CB 3.32Å; A718-A722 PolarHBondContact O-N 3.4Å
719	L	74.9	Confident	74.4	Confident	122 Å²	122	108.7 Å²	108.7	64%	0.639	52%	0.522	S	S	*	.	H	α-helix	trans	-74.4	-41.2	177.1	-146.2	167.3	0	0	0	111.2	K715 L716 Y717 A722 A723	K715-L719 WeakPolarHBondContact O-CB 3.36Å; K715-L719 PolarHBondContact O-N 2.86Å; L716-L719 CarbonylContact O-C 3.59Å; L716-L719 WeakPolarHBondContact O-CB 3.5Å; L716-L719 PolarHBondContact O-N 3.04Å; L716-L719 VanDerWaalsContact O-N 3.12Å; Y717-L719 VanDerWaalsContact C-N 3.34Å; L719-A722 PolarHBondContact O-N 3.35Å; L719-A723 WeakPolarHBondContact O-CB 3.21Å; L719-A723 PolarHBondContact O-N 3.44Å
720	E	76.9	Confident	72.7	Confident	104 Å²	104	109.7 Å²	109.7	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-44.1	170.3	179.6	179.3	-137.1	0	0	111	L716 A723 H724	L716-E720 WeakPolarHBondContact O-CB 3.13Å; L716-E720 PolarHBondContact O-N 3.35Å; E720-A723 PolarHBondContact O-N 3.12Å; E720-H724 VanDerWaalsContact O-CB 3.29Å; E720-H724 WeakPolarHBondContact O-CB 3.4Å; E720-H724 PolarHBondContact O-N 2.88Å
721	R	76.6	Confident	70.5	Confident	156 Å²	156	106.9 Å²	106.9	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-66.7	-35.8	175.1	-172	169.6	179.4	164.6	-4.1	112.4	Y717 T725	Y717-R721 WeakPolarHBondContact O-CB 3.34Å; Y717-R721 PolarHBondContact O-N 3.37Å; Y717-R721 PolarHBondContact OH-NH1 3.26Å; R721-T725 PolarHBondContact O-N 2.95Å; R721-T725 PolarHBondContact O-OG1 2.88Å
722	A	72.9	Confident	68.3	Low	54 Å²	54	112.1 Å²	112.1	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-43.2	172.9	0	0	0	0	0	111.8	A718 L719 T725 L726	A718-A722 VanDerWaalsContact O-CB 3.31Å; A718-A722 WeakPolarHBondContact O-CB 3.32Å; A718-A722 PolarHBondContact O-N 3.4Å; L719-A722 PolarHBondContact O-N 3.35Å; A722-T725 WeakPolarHBondContact CA-OG1 3.34Å; A722-T725 PolarHBondContact O-N 2.67Å; A722-T725 PolarHBondContact O-OG1 2.94Å; A722-L726 PolarHBondContact O-N 2.54Å
723	A	66.9	Low	66.7	Low	40 Å²	40	110.6 Å²	110.6	33%	0.331	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-46.3	173.6	0	0	0	0	0	111.2	L719 E720 T725 L726 E727	L719-A723 WeakPolarHBondContact O-CB 3.21Å; L719-A723 PolarHBondContact O-N 3.44Å; E720-A723 PolarHBondContact O-N 3.12Å; A723-T725 PolarHBondContact O-N 2.56Å; A723-L726 CarbonylContact O-C 3.56Å; A723-L726 WeakPolarHBondContact O-CA 3.37Å; A723-L726 WeakPolarHBondContact O-CB 3.32Å; A723-L726 PolarHBondContact O-N 3.18Å; A723-E727 WeakPolarHBondContact O-CG 3.33Å; A723-E727 PolarHBondContact O-N 3.13Å
724	H	61.5	Low	64.8	Low	84 Å²	84	110 Å²	110	39%	0.389	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-17.9	174.3	-78.1	-29.9	0	0	0	114.2	E720 E727 R728	E720-H724 VanDerWaalsContact O-CB 3.29Å; E720-H724 WeakPolarHBondContact O-CB 3.4Å; E720-H724 PolarHBondContact O-N 2.88Å; H724-E727 IonicContact CE1-OE2 3.2Å; H724-E727 IonicContact CG-OE2 3.34Å; H724-E727 IonicContact ND1-OE2 3.72Å; H724-E727 PolarHBondContact ND1-OE2 2.97Å; H724-R728 WeakPolarHBondContact O-CG 3.5Å; H724-R728 PolarHBondContact O-NH1 2.84Å
725	T	58.2	Low	62.7	Low	71 Å²	71	105.2 Å²	105.2	44%	0.436	53%	0.529	S	S	.	.	H	α-helix	trans	-77.6	-43.8	161.3	42.3	0	0	0	0	111.5	R721 A722 A723 E727 R728 W729	R721-T725 PolarHBondContact O-N 2.95Å; R721-T725 PolarHBondContact O-OG1 2.88Å; A722-T725 WeakPolarHBondContact CA-OG1 3.34Å; A722-T725 PolarHBondContact O-N 2.67Å; A722-T725 PolarHBondContact O-OG1 2.94Å; A723-T725 PolarHBondContact O-N 2.56Å; T725-E727 PolarHBondContact O-N 2.92Å; T725-R728 PolarHBondContact O-N 3.08Å; T725-W729 PolarHBondContact O-N 3.26Å
726	L	55.6	Low	60.8	Low	110 Å²	110	106.9 Å²	106.9	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-59.9	-42.5	178.3	-162.1	88.1	0	0	0	112.3	A722 A723 W729 H730	A722-L726 PolarHBondContact O-N 2.54Å; A723-L726 CarbonylContact O-C 3.56Å; A723-L726 WeakPolarHBondContact O-CA 3.37Å; A723-L726 WeakPolarHBondContact O-CB 3.32Å; A723-L726 PolarHBondContact O-N 3.18Å; L726-W729 CarbonylContact O-C 3.5Å; L726-W729 PolarHBondContact O-N 3.21Å; L726-H730 PolarHBondContact O-N 3.33Å
727	E	55.8	Low	59.3	Low	116 Å²	116	106.4 Å²	106.4	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175.4	-71.8	174.6	149.3	0	0	111.4	A723 H724 T725 W729 H730 S731	A723-E727 WeakPolarHBondContact O-CG 3.33Å; A723-E727 PolarHBondContact O-N 3.13Å; H724-E727 IonicContact CE1-OE2 3.2Å; H724-E727 IonicContact CG-OE2 3.34Å; H724-E727 IonicContact ND1-OE2 3.72Å; H724-E727 PolarHBondContact ND1-OE2 2.97Å; T725-E727 PolarHBondContact O-N 2.92Å; E727-W729 VanDerWaalsContact C-N 3.33Å; E727-W729 PolarHBondContact O-N 2.75Å; E727-H730 PolarHBondContact O-N 2.89Å; E727-S731 PolarHBondContact O-N 2.84Å; E727-S731 PolarHBondContact O-OG 2.59Å
728	R	52.5	Low	57.9	Low	150 Å²	150	107.2 Å²	107.2	57%	0.566	57%	0.567	S	S	*	*	H	α-helix	trans	-62.4	-39.7	173.7	-75.6	-178.2	-175.5	90.9	-4.4	112.1	H724 T725 S731 Y732	H724-R728 WeakPolarHBondContact O-CG 3.5Å; H724-R728 PolarHBondContact O-NH1 2.84Å; T725-R728 PolarHBondContact O-N 3.08Å; R728-S731 WeakPolarHBondContact CA-OG 3.47Å; R728-S731 PolarHBondContact O-N 3.15Å; R728-S731 PolarHBondContact O-OG 2.76Å; R728-Y732 WeakPolarHBondContact O-CB 3.36Å; R728-Y732 WeakPolarHBondContact O-CD2 3.13Å; R728-Y732 PolarHBondContact O-N 3.19Å
729	W	51.6	Low	56.5	Low	175 Å²	175	112 Å²	112	66%	0.663	59%	0.586	S	S	*	*	H	α-helix	trans	-67.1	-35.5	175.2	-86.1	100.5	0	0	0	112.2	T725 L726 E727 S733	T725-W729 PolarHBondContact O-N 3.26Å; L726-W729 CarbonylContact O-C 3.5Å; L726-W729 PolarHBondContact O-N 3.21Å; E727-W729 VanDerWaalsContact C-N 3.33Å; E727-W729 PolarHBondContact O-N 2.75Å; W729-S733 WeakPolarHBondContact O-CB 3.49Å; W729-S733 PolarHBondContact O-N 2.89Å
730	H	47.8	Very low	55.6	Low	119 Å²	119	107.6 Å²	107.6	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-69.3	-42.3	172.7	-94.4	-62.8	0	0	0	112.5	L726 E727 S733 V734	L726-H730 PolarHBondContact O-N 3.33Å; E727-H730 PolarHBondContact O-N 2.89Å; H730-S733 PolarHBondContact O-N 3.42Å; H730-S733 VanDerWaalsContact O-N 3.12Å; H730-V734 PolarHBondContact O-N 3.15Å
731	S	42.1	Very low	55	Low	64 Å²	64	111.3 Å²	111.3	45%	0.448	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-42.7	175.4	55.4	0	0	0	0	111.8	E727 R728 S733 A735	E727-S731 PolarHBondContact O-N 2.84Å; E727-S731 PolarHBondContact O-OG 2.59Å; R728-S731 WeakPolarHBondContact CA-OG 3.47Å; R728-S731 PolarHBondContact O-N 3.15Å; R728-S731 PolarHBondContact O-OG 2.76Å; S731-S733 PolarHBondContact O-N 3.01Å; S731-A735 PolarHBondContact O-N 3.1Å; S731-A735 VanDerWaalsContact O-N 3.15Å
732	Y	43.5	Very low	55.2	Low	200 Å²	200	107.2 Å²	107.2	78%	0.784	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-9.3	174	-78.9	-56.8	0	0	0	114.9	R728	R728-Y732 WeakPolarHBondContact O-CB 3.36Å; R728-Y732 WeakPolarHBondContact O-CD2 3.13Å; R728-Y732 PolarHBondContact O-N 3.19Å
733	S	50.3	Low	55.2	Low	92 Å²	92	108.8 Å²	108.8	64%	0.643	59%	0.588	S	S	*	*	H	α-helix	trans	-104.6	-17.8	-177.2	-172.4	0	0	0	0	113.6	W729 H730 S731	W729-S733 WeakPolarHBondContact O-CB 3.49Å; W729-S733 PolarHBondContact O-N 2.89Å; H730-S733 PolarHBondContact O-N 3.42Å; H730-S733 VanDerWaalsContact O-N 3.12Å; S731-S733 PolarHBondContact O-N 3.01Å
734	V	49.1	Very low	55.8	Low	122 Å²	122	109.2 Å²	109.2	74%	0.739	60%	0.596	S	S	*	*	H	α-helix	trans	-137.2	-12.5	-168.9	-171.8	0	0	0	0	114.2	H730	H730-V734 PolarHBondContact O-N 3.15Å
735	A	45.6	Very low	56.5	Low	50 Å²	50	108.7 Å²	108.7	41%	0.413	59%	0.593	S	S	.	*	S	Bend	trans	-124.6	146	-177.6	0	0	0	0	0	114.1	S731 S737	S731-A735 PolarHBondContact O-N 3.1Å; S731-A735 VanDerWaalsContact O-N 3.15Å; A735-S737 VanDerWaalsContact C-N 3.32Å; A735-S737 PolarHBondContact O-N 3.44Å; A735-S737 VanDerWaalsContact O-N 3.1Å
736	D	43	Very low	57.1	Low	172 Å²	172	111.5 Å²	111.5	92%	0.92	60%	0.596	S	S	*	*	S	Bend	trans	62.2	7.2	162.5	-55.9	-17.7	0	0	0	120.1
737	S	53.5	Low	58.1	Low	90 Å²	90	109.1 Å²	109.1	63%	0.629	59%	0.592	S	S	*	*	S	Bend	trans	-92.3	130.8	155.2	64.4	0	0	0	0	110.4	A735 L739	A735-S737 VanDerWaalsContact C-N 3.32Å; A735-S737 PolarHBondContact O-N 3.44Å; A735-S737 VanDerWaalsContact O-N 3.1Å; S737-L739 PolarHBondContact O-N 2.91Å
738	P	56.4	Low	59	Low	118 Å²	118	110.6 Å²	110.6	77%	0.766	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-59.7	137.9	175.3	26	-33.9	0	0	0	110.4
739	L	51.1	Low	60.2	Low	142 Å²	142	106.9 Å²	106.9	74%	0.743	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.2	129	177.4	-75.7	164.4	0	0	0	109.8	S737 Q741	S737-L739 PolarHBondContact O-N 2.91Å; L739-Q741 VanDerWaalsContact O-CG 3.31Å; L739-Q741 WeakPolarHBondContact O-CG 3.38Å; L739-Q741 PolarHBondContact O-N 2.86Å
740	P	57.1	Low	61.3	Low	31 Å²	31	103.1 Å²	103.1	20%	0.201	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-59.2	126.4	-177	21.4	-31.7	0	0	0	110.7	E745 W746	P740-E745 WeakPolarHBondContact CA-OE2 3.49Å; P740-E745 HydrophobicContact CB-CB 3.45Å; P740-E745 VanDerWaalsContact CB-CB 3.45Å; P740-E745 HydrophobicContact CB-CG 4.44Å; P740-W746 HydrophobicContact CB-CG 4.45Å; P740-W746 HydrophobicContact CG-CD2 3.94Å; P740-W746 HydrophobicContact CG-CE3 4.4Å; P740-W746 HydrophobicContact CG-CG 4.32Å; P740-W746 HydrophobicContact CG-CH2 4.35Å; P740-W746 HydrophobicContact CG-CZ2 3.87Å; P740-W746 PolarHBondContact O-NE1 2.91Å
741	Q	64.8	Low	62.7	Low	181 Å²	181	102.4 Å²	102.4	85%	0.846	58%	0.582	S	S	*	*			trans	-101.5	-22.4	-173.6	-59.9	-165.4	-3	0	0	112.2	L739 E745	L739-Q741 VanDerWaalsContact O-CG 3.31Å; L739-Q741 WeakPolarHBondContact O-CG 3.38Å; L739-Q741 PolarHBondContact O-N 2.86Å; Q741-E745 PolarHBondContact N-OE2 3.27Å
742	T	80	Confident	64.2	Low	71 Å²	71	105 Å²	105	44%	0.436	59%	0.59	S	S	.	*	S	Bend	trans	-102.2	149.5	176.9	77.4	0	0	0	0	112.5	G744 E745 W746	T742-G744 PolarHBondContact O-N 3.28Å; T742-G744 VanDerWaalsContact O-N 3.17Å; T742-E745 WeakPolarHBondContact CB-OE1 3.29Å; T742-E745 WeakPolarHBondContact CG2-OE1 3.39Å; T742-E745 PolarHBondContact N-OE2 3.36Å; T742-E745 PolarHBondContact O-N 3.43Å; T742-E745 VanDerWaalsContact O-N 3.14Å; T742-E745 WeakPolarHBondContact OG1-CG 3.36Å; T742-E745 PolarHBondContact OG1-N 3.08Å; T742-E745 PolarHBondContact OG1-OE1 3.36Å; T742-W746 PolarHBondContact O-N 3.31Å
743	A	73.9	Confident	65.6	Low	87 Å²	87	101.4 Å²	101.4	72%	0.719	58%	0.581	S	S	*	*	H	α-helix	trans	-60.6	-24	175.3	0	0	0	0	0	113	A747	A743-A747 WeakPolarHBondContact O-CB 3.31Å; A743-A747 PolarHBondContact O-N 3.42Å
744	G	79.4	Confident	66.9	Low	48 Å²	48	105.1 Å²	105.1	50%	0.495	58%	0.581	S	S	.	*	H	α-helix	trans	-69.3	-43.1	174.1	0	0	0	0	0	112.7	T742 A747 Q748	T742-G744 PolarHBondContact O-N 3.28Å; T742-G744 VanDerWaalsContact O-N 3.17Å; G744-A747 PolarHBondContact O-N 2.84Å; G744-Q748 PolarHBondContact O-N 3.38Å
745	E	76	Confident	68.3	Low	74 Å²	74	103.9 Å²	103.9	35%	0.346	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-43.5	174.9	-67.4	139.5	-137.8	0	0	111.3	P740 Q741 T742 A747 Q748 V749	P740-E745 WeakPolarHBondContact CA-OE2 3.49Å; P740-E745 HydrophobicContact CB-CB 3.45Å; P740-E745 VanDerWaalsContact CB-CB 3.45Å; P740-E745 HydrophobicContact CB-CG 4.44Å; Q741-E745 PolarHBondContact N-OE2 3.27Å; T742-E745 WeakPolarHBondContact CB-OE1 3.29Å; T742-E745 WeakPolarHBondContact CG2-OE1 3.39Å; T742-E745 PolarHBondContact N-OE2 3.36Å; T742-E745 PolarHBondContact O-N 3.43Å; T742-E745 VanDerWaalsContact O-N 3.14Å; T742-E745 WeakPolarHBondContact OG1-CG 3.36Å; T742-E745 PolarHBondContact OG1-N 3.08Å; T742-E745 PolarHBondContact OG1-OE1 3.36Å; E745-A747 VanDerWaalsContact C-N 3.33Å; E745-A747 PolarHBondContact O-N 3.12Å; E745-Q748 WeakPolarHBondContact O-CA 3.37Å; E745-Q748 WeakPolarHBondContact O-CB 3.5Å; E745-Q748 PolarHBondContact O-N 2.99Å; E745-Q748 VanDerWaalsContact O-N 3.08Å; E745-V749 WeakPolarHBondContact O-CG2 3.47Å; E745-V749 PolarHBondContact O-N 3.29Å
746	W	70	Confident	69.6	Low	130 Å²	130	107 Å²	107	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-42.2	173.5	-81.4	100.2	0	0	0	112.5	P740 T742 Q748 V749 L750	P740-W746 HydrophobicContact CB-CG 4.45Å; P740-W746 HydrophobicContact CG-CD2 3.94Å; P740-W746 HydrophobicContact CG-CE3 4.4Å; P740-W746 HydrophobicContact CG-CG 4.32Å; P740-W746 HydrophobicContact CG-CH2 4.35Å; P740-W746 HydrophobicContact CG-CZ2 3.87Å; P740-W746 PolarHBondContact O-NE1 2.91Å; T742-W746 PolarHBondContact O-N 3.31Å; W746-Q748 VanDerWaalsContact C-N 3.29Å; W746-Q748 PolarHBondContact O-N 2.95Å; W746-V749 PolarHBondContact O-N 3.46Å; W746-L750 WeakPolarHBondContact O-CB 3.22Å; W746-L750 VanDerWaalsContact O-CG 3.27Å; W746-L750 WeakPolarHBondContact O-CG 3.48Å; W746-L750 PolarHBondContact O-N 3.43Å
747	A	77.3	Confident	70.9	Confident	60 Å²	60	104.3 Å²	104.3	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-36.4	174.1	0	0	0	0	0	112.1	A743 G744 E745 H751	A743-A747 WeakPolarHBondContact O-CB 3.31Å; A743-A747 PolarHBondContact O-N 3.42Å; G744-A747 PolarHBondContact O-N 2.84Å; E745-A747 VanDerWaalsContact C-N 3.33Å; E745-A747 PolarHBondContact O-N 3.12Å; A747-H751 VanDerWaalsContact O-CB 3.25Å; A747-H751 WeakPolarHBondContact O-CB 3.25Å; A747-H751 PolarHBondContact O-N 2.94Å
748	Q	74.5	Confident	72.2	Confident	146 Å²	146	105.7 Å²	105.7	68%	0.682	55%	0.549	S	S	*	.	H	α-helix	trans	-66.2	-46.4	174.5	-115.9	178	6.1	0	0	112.4	G744 E745 W746 H751 L752	G744-Q748 PolarHBondContact O-N 3.38Å; E745-Q748 WeakPolarHBondContact O-CA 3.37Å; E745-Q748 WeakPolarHBondContact O-CB 3.5Å; E745-Q748 PolarHBondContact O-N 2.99Å; E745-Q748 VanDerWaalsContact O-N 3.08Å; W746-Q748 VanDerWaalsContact C-N 3.29Å; W746-Q748 PolarHBondContact O-N 2.95Å; Q748-H751 PolarHBondContact O-N 3.11Å; Q748-L752 WeakPolarHBondContact O-CB 3.36Å; Q748-L752 PolarHBondContact O-N 3.35Å
749	V	76.7	Confident	73.3	Confident	72 Å²	72	102.1 Å²	102.1	44%	0.436	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-45.8	177	173	0	0	0	0	111	E745 W746 H751 L752 Q753	E745-V749 WeakPolarHBondContact O-CG2 3.47Å; E745-V749 PolarHBondContact O-N 3.29Å; W746-V749 PolarHBondContact O-N 3.46Å; V749-H751 VanDerWaalsContact C-N 3.32Å; V749-H751 PolarHBondContact O-N 3.28Å; V749-L752 PolarHBondContact O-N 2.82Å; V749-Q753 WeakPolarHBondContact O-CB 3.49Å; V749-Q753 PolarHBondContact O-N 3.36Å
750	L	74.6	Confident	74.4	Confident	97 Å²	97	98.5 Å²	98.5	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-34.7	176.2	-70.5	169.1	0	0	0	112.4	W746 R754	W746-L750 WeakPolarHBondContact O-CB 3.22Å; W746-L750 VanDerWaalsContact O-CG 3.27Å; W746-L750 WeakPolarHBondContact O-CG 3.48Å; W746-L750 PolarHBondContact O-N 3.43Å; L750-R754 WeakPolarHBondContact O-CB 3.47Å; L750-R754 PolarHBondContact O-N 3.45Å
751	H	76.8	Confident	75.4	Confident	104 Å²	104	101.5 Å²	101.5	48%	0.481	52%	0.523	S	S	.	.	H	α-helix	trans	-67.9	-43.3	173.8	-169.7	73	0	0	0	111.8	A747 Q748 V749 R754 Q755	A747-H751 VanDerWaalsContact O-CB 3.25Å; A747-H751 WeakPolarHBondContact O-CB 3.25Å; A747-H751 PolarHBondContact O-N 2.94Å; Q748-H751 PolarHBondContact O-N 3.11Å; V749-H751 VanDerWaalsContact C-N 3.32Å; V749-H751 PolarHBondContact O-N 3.28Å; H751-R754 WeakPolarHBondContact O-CB 3.3Å; H751-R754 PolarHBondContact O-N 3.24Å; H751-Q755 PolarHBondContact CD2-NE2 3.14Å; H751-Q755 VanDerWaalsContact CD2-NE2 3.26Å; H751-Q755 PolarHBondContact NE2-NE2 3.02Å; H751-Q755 WeakPolarHBondContact O-CG 3.44Å; H751-Q755 PolarHBondContact O-N 2.88Å
752	L	73.8	Confident	76.2	Confident	117 Å²	117	95.7 Å²	95.7	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-40.8	176.7	-169.8	65.9	0	0	0	111.7	Q748 V749 R754 Q755 F756	Q748-L752 WeakPolarHBondContact O-CB 3.36Å; Q748-L752 PolarHBondContact O-N 3.35Å; V749-L752 PolarHBondContact O-N 2.82Å; L752-R754 PolarHBondContact O-N 3.04Å; L752-Q755 PolarHBondContact O-N 2.78Å; L752-F756 PolarHBondContact O-N 3.37Å
753	Q	72.9	Confident	76.2	Confident	126 Å²	126	97.5 Å²	97.5	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-42.1	172.9	-170.7	-176.6	12.2	0	0	111.6	V749 F756 H757	V749-Q753 WeakPolarHBondContact O-CB 3.49Å; V749-Q753 PolarHBondContact O-N 3.36Å; Q753-F756 PolarHBondContact O-N 2.89Å; Q753-H757 WeakPolarHBondContact O-CB 3.4Å; Q753-H757 PolarHBondContact O-N 3Å
754	R	79.1	Confident	76.1	Confident	170 Å²	170	101.5 Å²	101.5	64%	0.642	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-45.3	173.9	176.3	176.7	-74.5	177	-2.9	111.8	L750 H751 L752 H757 Q758	L750-R754 WeakPolarHBondContact O-CB 3.47Å; L750-R754 PolarHBondContact O-N 3.45Å; H751-R754 WeakPolarHBondContact O-CB 3.3Å; H751-R754 PolarHBondContact O-N 3.24Å; L752-R754 PolarHBondContact O-N 3.04Å; R754-H757 PolarHBondContact O-N 2.87Å; R754-Q758 WeakPolarHBondContact O-CG 3.26Å; R754-Q758 PolarHBondContact O-N 3.36Å
755	Q	78.1	Confident	76.4	Confident	96 Å²	96	104.9 Å²	104.9	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.3	-72.1	-175.3	6.2	0	0	111.7	H751 L752 H757 Q758 A759	H751-Q755 PolarHBondContact CD2-NE2 3.14Å; H751-Q755 VanDerWaalsContact CD2-NE2 3.26Å; H751-Q755 PolarHBondContact NE2-NE2 3.02Å; H751-Q755 WeakPolarHBondContact O-CG 3.44Å; H751-Q755 PolarHBondContact O-N 2.88Å; L752-Q755 PolarHBondContact O-N 2.78Å; Q755-H757 PolarHBondContact O-N 2.93Å; Q755-Q758 PolarHBondContact O-N 3.47Å; Q755-A759 WeakPolarHBondContact O-CB 3.44Å; Q755-A759 PolarHBondContact O-N 3Å
756	F	73.1	Confident	76.8	Confident	114 Å²	114	107.7 Å²	107.7	50%	0.5	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.8	-176.7	-93.9	0	0	0	111.8	L752 Q753 Q758 A759 Q760	L752-F756 PolarHBondContact O-N 3.37Å; Q753-F756 PolarHBondContact O-N 2.89Å; F756-Q758 PolarHBondContact O-N 3.15Å; F756-A759 CarbonylContact O-C 3.53Å; F756-A759 PolarHBondContact O-N 2.89Å; F756-Q760 HydrophobicContact CD1-CG 4.08Å; F756-Q760 HydrophobicContact CE1-CG 3.75Å; F756-Q760 HydrophobicContact CZ-CG 4.16Å; F756-Q760 WeakPolarHBondContact O-CG 3.32Å; F756-Q760 PolarHBondContact O-N 2.9Å
757	H	69.7	Low	77.5	Confident	116 Å²	116	105.5 Å²	105.5	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-42.3	177.3	-166.3	90.9	0	0	0	111.8	Q753 R754 Q755 A759 Q760 L761	Q753-H757 WeakPolarHBondContact O-CB 3.4Å; Q753-H757 PolarHBondContact O-N 3Å; R754-H757 PolarHBondContact O-N 2.87Å; Q755-H757 PolarHBondContact O-N 2.93Å; H757-A759 PolarHBondContact O-N 2.7Å; H757-Q760 PolarHBondContact O-N 2.94Å; H757-L761 WeakPolarHBondContact O-CG 3.45Å; H757-L761 PolarHBondContact O-N 2.99Å
758	Q	80	Confident	77.7	Confident	119 Å²	119	108.4 Å²	108.4	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-40.5	172.4	-74	176.6	-43.4	0	0	112.4	R754 Q755 F756 Q760 L761 S762	R754-Q758 WeakPolarHBondContact O-CG 3.26Å; R754-Q758 PolarHBondContact O-N 3.36Å; Q755-Q758 PolarHBondContact O-N 3.47Å; F756-Q758 PolarHBondContact O-N 3.15Å; Q758-Q760 VanDerWaalsContact C-N 3.3Å; Q758-Q760 PolarHBondContact O-N 2.65Å; Q758-L761 PolarHBondContact O-N 2.99Å; Q758-S762 PolarHBondContact O-N 3.27Å; Q758-S762 PolarHBondContact O-OG 3.12Å
759	A	80.7	Confident	78.4	Confident	44 Å²	44	107 Å²	107	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-71	-21.1	176.8	0	0	0	0	0	114.1	Q755 F756 H757 S762 K763	Q755-A759 WeakPolarHBondContact O-CB 3.44Å; Q755-A759 PolarHBondContact O-N 3Å; F756-A759 CarbonylContact O-C 3.53Å; F756-A759 PolarHBondContact O-N 2.89Å; H757-A759 PolarHBondContact O-N 2.7Å; A759-S762 PolarHBondContact O-OG 2.91Å; A759-K763 WeakPolarHBondContact O-CD 2.92Å; A759-K763 WeakPolarHBondContact O-CG 3.4Å
760	Q	74.3	Confident	78.7	Confident	66 Å²	66	106.9 Å²	106.9	31%	0.308	52%	0.516	S	S	.	.	H	α-helix	trans	-80	-44.7	168.2	-67	-65.2	-10.9	0	0	110.9	F756 H757 Q758 S762 K763 W764	F756-Q760 HydrophobicContact CD1-CG 4.08Å; F756-Q760 HydrophobicContact CE1-CG 3.75Å; F756-Q760 HydrophobicContact CZ-CG 4.16Å; F756-Q760 WeakPolarHBondContact O-CG 3.32Å; F756-Q760 PolarHBondContact O-N 2.9Å; H757-Q760 PolarHBondContact O-N 2.94Å; Q758-Q760 VanDerWaalsContact C-N 3.3Å; Q758-Q760 PolarHBondContact O-N 2.65Å; Q760-S762 VanDerWaalsContact C-N 3.33Å; Q760-S762 PolarHBondContact O-N 3.24Å; Q760-K763 WeakPolarHBondContact O-CB 3.31Å; Q760-K763 PolarHBondContact O-N 2.9Å; Q760-W764 VanDerWaalsContact O-CD1 3.23Å; Q760-W764 PolarHBondContact O-N 3.07Å
761	L	76.8	Confident	79.1	Confident	93 Å²	93	104.9 Å²	104.9	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-40.8	177.4	-72.9	174.5	0	0	0	112.4	H757 Q758 K763 W764 Q765	H757-L761 WeakPolarHBondContact O-CG 3.45Å; H757-L761 PolarHBondContact O-N 2.99Å; Q758-L761 PolarHBondContact O-N 2.99Å; L761-K763 PolarHBondContact O-N 2.83Å; L761-W764 PolarHBondContact O-N 3.49Å; L761-Q765 WeakPolarHBondContact O-CB 3.35Å; L761-Q765 PolarHBondContact O-N 3.2Å
762	S	82.3	Confident	79.7	Confident	60 Å²	60	103.7 Å²	103.7	42%	0.42	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-36.6	176.8	63.4	0	0	0	0	112.9	Q758 A759 Q760 Q765 Q766	Q758-S762 PolarHBondContact O-N 3.27Å; Q758-S762 PolarHBondContact O-OG 3.12Å; A759-S762 PolarHBondContact O-OG 2.91Å; Q760-S762 VanDerWaalsContact C-N 3.33Å; Q760-S762 PolarHBondContact O-N 3.24Å; S762-Q765 PolarHBondContact O-N 3.47Å; S762-Q766 WeakPolarHBondContact O-CB 3.44Å; S762-Q766 PolarHBondContact O-N 2.86Å
763	K	81.1	Confident	80.3	Confident	109 Å²	109	101.3 Å²	101.3	47%	0.474	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-45	172	-70	171.3	-174.3	174.8	0	111.7	A759 Q760 L761 Q765 Q766 I767	A759-K763 WeakPolarHBondContact O-CD 2.92Å; A759-K763 WeakPolarHBondContact O-CG 3.4Å; Q760-K763 WeakPolarHBondContact O-CB 3.31Å; Q760-K763 PolarHBondContact O-N 2.9Å; L761-K763 PolarHBondContact O-N 2.83Å; K763-Q765 VanDerWaalsContact C-N 3.32Å; K763-Q765 PolarHBondContact O-N 3.01Å; K763-Q766 PolarHBondContact O-N 3.26Å; K763-I767 WeakPolarHBondContact O-CB 3.44Å; K763-I767 VanDerWaalsContact O-CG1 3.24Å; K763-I767 WeakPolarHBondContact O-CG1 3.46Å; K763-I767 PolarHBondContact O-N 3.49Å
764	W	71.1	Confident	81.1	Confident	170 Å²	170	101 Å²	101	64%	0.644	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-39.8	175.5	-80.7	110.6	0	0	0	112.2	Q760 L761 I767 L768	Q760-W764 VanDerWaalsContact O-CD1 3.23Å; Q760-W764 PolarHBondContact O-N 3.07Å; L761-W764 PolarHBondContact O-N 3.49Å; W764-I767 PolarHBondContact O-N 3.2Å; W764-L768 WeakPolarHBondContact O-CB 3.26Å; W764-L768 PolarHBondContact O-N 2.99Å
765	Q	86	Confident	81.3	Confident	120 Å²	120	97.9 Å²	97.9	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-44.2	173.8	-173.6	177.3	6.9	0	0	111.9	L761 S762 K763 L768 Q769	L761-Q765 WeakPolarHBondContact O-CB 3.35Å; L761-Q765 PolarHBondContact O-N 3.2Å; S762-Q765 PolarHBondContact O-N 3.47Å; K763-Q765 VanDerWaalsContact C-N 3.32Å; K763-Q765 PolarHBondContact O-N 3.01Å; Q765-L768 PolarHBondContact O-N 3.46Å; Q765-Q769 WeakPolarHBondContact O-CB 3.49Å; Q765-Q769 WeakPolarHBondContact O-CG 3.43Å; Q765-Q769 PolarHBondContact O-N 3.25Å
766	Q	84.3	Confident	81.8	Confident	133 Å²	133	96.7 Å²	96.7	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-41.1	176.2	-172	-179.3	8.3	0	0	112.1	S762 K763 Q769 S770	S762-Q766 WeakPolarHBondContact O-CB 3.44Å; S762-Q766 PolarHBondContact O-N 2.86Å; K763-Q766 PolarHBondContact O-N 3.26Å; Q766-Q769 PolarHBondContact O-N 2.98Å; Q766-S770 PolarHBondContact O-N 3.38Å
767	I	84.9	Confident	82.4	Confident	83 Å²	83	97.2 Å²	97.2	43%	0.426	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-48.9	173.9	-69.6	165	0	0	0	109.7	K763 W764 Q769 S770 S771	K763-I767 WeakPolarHBondContact O-CB 3.44Å; K763-I767 VanDerWaalsContact O-CG1 3.24Å; K763-I767 WeakPolarHBondContact O-CG1 3.46Å; K763-I767 PolarHBondContact O-N 3.49Å; W764-I767 PolarHBondContact O-N 3.2Å; I767-Q769 PolarHBondContact O-N 3Å; I767-S770 PolarHBondContact O-N 3.37Å; I767-S770 VanDerWaalsContact O-N 3.12Å; I767-S770 PolarHBondContact O-OG 3.38Å; I767-S771 PolarHBondContact O-N 3.35Å; I767-S771 PolarHBondContact O-OG 2.86Å
768	L	82.2	Confident	83	Confident	122 Å²	122	97.4 Å²	97.4	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-58.7	-45.5	178.8	-162.2	78.4	0	0	0	111.7	W764 Q765 S770 S771 V772	W764-L768 WeakPolarHBondContact O-CB 3.26Å; W764-L768 PolarHBondContact O-N 2.99Å; Q765-L768 PolarHBondContact O-N 3.46Å; L768-S770 VanDerWaalsContact C-N 3.34Å; L768-S770 PolarHBondContact O-N 3.05Å; L768-S771 PolarHBondContact O-N 2.68Å; L768-V772 WeakPolarHBondContact O-CG2 3.42Å; L768-V772 PolarHBondContact O-N 3.15Å
769	Q	87.3	Confident	83.4	Confident	117 Å²	117	96.8 Å²	96.8	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-40.9	174.7	-74.9	173.1	-21	0	0	112.3	Q765 Q766 I767 V772 S773	Q765-Q769 WeakPolarHBondContact O-CB 3.49Å; Q765-Q769 WeakPolarHBondContact O-CG 3.43Å; Q765-Q769 PolarHBondContact O-N 3.25Å; Q766-Q769 PolarHBondContact O-N 2.98Å; I767-Q769 PolarHBondContact O-N 3Å; Q769-V772 PolarHBondContact O-N 3.1Å; Q769-S773 WeakPolarHBondContact O-CB 3.31Å; Q769-S773 PolarHBondContact O-N 2.92Å
770	S	84.4	Confident	83.8	Confident	68 Å²	68	100.1 Å²	100.1	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-38.4	176.1	74.7	0	0	0	0	112.5	Q766 I767 L768 S773 L774	Q766-S770 PolarHBondContact O-N 3.38Å; I767-S770 PolarHBondContact O-N 3.37Å; I767-S770 VanDerWaalsContact O-N 3.12Å; I767-S770 PolarHBondContact O-OG 3.38Å; L768-S770 VanDerWaalsContact C-N 3.34Å; L768-S770 PolarHBondContact O-N 3.05Å; S770-S773 PolarHBondContact O-N 3.35Å; S770-L774 WeakPolarHBondContact O-CB 3.49Å; S770-L774 PolarHBondContact O-N 3.01Å
771	S	82.9	Confident	84.3	Confident	56 Å²	56	100.7 Å²	100.7	39%	0.392	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-39.9	175.7	-61.6	0	0	0	0	112.7	I767 L768 L774 L775	I767-S771 PolarHBondContact O-N 3.35Å; I767-S771 PolarHBondContact O-OG 2.86Å; L768-S771 PolarHBondContact O-N 2.68Å; S771-L774 PolarHBondContact O-N 2.96Å; S771-L775 WeakPolarHBondContact O-CG 3.47Å; S771-L775 PolarHBondContact O-N 3.45Å
772	V	89	Confident	84.5	Confident	78 Å²	78	102 Å²	102	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-63.9	-46.1	173.9	171.7	0	0	0	0	110.6	L768 Q769 L774 L775 D776	L768-V772 WeakPolarHBondContact O-CG2 3.42Å; L768-V772 PolarHBondContact O-N 3.15Å; Q769-V772 PolarHBondContact O-N 3.1Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.07Å; V772-L775 WeakPolarHBondContact O-CB 3.37Å; V772-L775 PolarHBondContact O-N 3.35Å; V772-L775 VanDerWaalsContact O-N 3.15Å; V772-D776 PolarHBondContact O-N 3.29Å
773	S	86.6	Confident	84.7	Confident	68 Å²	68	103.6 Å²	103.6	48%	0.476	53%	0.526	S	S	.	.	H	α-helix	trans	-58.9	-39.6	175.3	-175.7	0	0	0	0	112.5	Q769 S770 D776 Q777	Q769-S773 WeakPolarHBondContact O-CB 3.31Å; Q769-S773 PolarHBondContact O-N 2.92Å; S770-S773 PolarHBondContact O-N 3.35Å; S773-D776 PolarHBondContact O-N 3.37Å; S773-Q777 WeakPolarHBondContact O-CG 3.49Å; S773-Q777 PolarHBondContact O-N 2.94Å
774	L	88.9	Confident	84.7	Confident	118 Å²	118	105.3 Å²	105.3	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-67.5	-38.9	175.6	-159.3	82.3	0	0	0	112.4	S770 S771 V772 Q777 M778	S770-L774 WeakPolarHBondContact O-CB 3.49Å; S770-L774 PolarHBondContact O-N 3.01Å; S771-L774 PolarHBondContact O-N 2.96Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.07Å; L774-Q777 PolarHBondContact O-N 3.22Å; L774-M778 WeakPolarHBondContact O-CB 3.45Å; L774-M778 PolarHBondContact O-N 2.87Å
775	L	84.4	Confident	85	Confident	105 Å²	105	102.3 Å²	102.3	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-65.2	-41.7	174.5	-76.1	166.8	0	0	0	111.6	S771 V772 M778 K779	S771-L775 WeakPolarHBondContact O-CG 3.47Å; S771-L775 PolarHBondContact O-N 3.45Å; V772-L775 WeakPolarHBondContact O-CB 3.37Å; V772-L775 PolarHBondContact O-N 3.35Å; V772-L775 VanDerWaalsContact O-N 3.15Å; L775-M778 HydrophobicContact CD2-CE 4.08Å; L775-M778 PolarHBondContact O-N 3.23Å; L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 PolarHBondContact O-N 3.14Å
776	D	87.3	Confident	84.5	Confident	72 Å²	72	102.6 Å²	102.6	39%	0.385	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-40.6	173.3	-88.8	-39	0	0	0	111.9	V772 S773 M778 K779 H780	V772-D776 PolarHBondContact O-N 3.29Å; S773-D776 PolarHBondContact O-N 3.37Å; D776-M778 VanDerWaalsContact C-N 3.31Å; D776-M778 PolarHBondContact O-N 3.49Å; D776-K779 PolarHBondContact O-N 3.31Å; D776-H780 PolarHBondContact O-N 2.94Å; D776-H780 PolarHBondContact O-ND1 3.03Å
777	Q	86.4	Confident	84	Confident	124 Å²	124	106 Å²	106	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-60.5	-40.8	172.3	-78.7	-172.1	-14.4	0	0	112.1	S773 L774 S781	S773-Q777 WeakPolarHBondContact O-CG 3.49Å; S773-Q777 PolarHBondContact O-N 2.94Å; L774-Q777 PolarHBondContact O-N 3.22Å; Q777-S781 VanDerWaalsContact O-CB 3.31Å; Q777-S781 WeakPolarHBondContact O-CB 3.21Å; Q777-S781 PolarHBondContact O-N 2.94Å; Q777-S781 PolarHBondContact O-OG 3.3Å
778	M	82.5	Confident	83.2	Confident	120 Å²	120	108 Å²	108	59%	0.591	55%	0.55	S	S	*	.	H	α-helix	trans	-65.9	-43.4	176.2	-169.1	176.8	73.8	0	0	111.3	L774 L775 D776 S781 L782	L774-M778 WeakPolarHBondContact O-CB 3.45Å; L774-M778 PolarHBondContact O-N 2.87Å; L775-M778 HydrophobicContact CD2-CE 4.08Å; L775-M778 PolarHBondContact O-N 3.23Å; D776-M778 VanDerWaalsContact C-N 3.31Å; D776-M778 PolarHBondContact O-N 3.49Å; M778-S781 WeakPolarHBondContact O-CB 3.19Å; M778-S781 PolarHBondContact O-N 3.26Å; M778-L782 PolarHBondContact O-N 3.13Å
779	K	88.5	Confident	82.5	Confident	106 Å²	106	108 Å²	108	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-58.5	-54.5	174.5	175.8	-174.2	165.9	-171.6	0	111.8	L775 D776 S781 L782 E783	L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 PolarHBondContact O-N 3.14Å; D776-K779 PolarHBondContact O-N 3.31Å; K779-S781 PolarHBondContact O-N 3.29Å; K779-L782 WeakPolarHBondContact O-CA 3.17Å; K779-L782 WeakPolarHBondContact O-CB 3.47Å; K779-L782 PolarHBondContact O-N 3.44Å; K779-E783 WeakPolarHBondContact CE-OE1 3.28Å; K779-E783 HydrophobicContact CG-CG 4.44Å; K779-E783 IonicContact NZ-OE1 2.67Å; K779-E783 WeakPolarHBondContact O-CG 3.32Å; K779-E783 PolarHBondContact O-N 2.86Å
780	H	88.4	Confident	81	Confident	115 Å²	115	106.4 Å²	106.4	53%	0.532	55%	0.547	S	S	.	.	H	α-helix	trans	-60.5	-32.7	178.1	-73.3	85.8	0	0	0	111.9	D776 K784	D776-H780 PolarHBondContact O-N 2.94Å; D776-H780 PolarHBondContact O-ND1 3.03Å; H780-K784 WeakPolarHBondContact O-CB 3.31Å; H780-K784 PolarHBondContact O-N 2.98Å
781	S	85.5	Confident	79.4	Confident	77 Å²	77	109 Å²	109	54%	0.538	56%	0.56	S	S	.	*	H	α-helix	trans	-68.4	-39.9	173.6	-59.6	0	0	0	0	112	Q777 M778 K779 L785	Q777-S781 VanDerWaalsContact O-CB 3.31Å; Q777-S781 WeakPolarHBondContact O-CB 3.21Å; Q777-S781 PolarHBondContact O-N 2.94Å; Q777-S781 PolarHBondContact O-OG 3.3Å; M778-S781 WeakPolarHBondContact O-CB 3.19Å; M778-S781 PolarHBondContact O-N 3.26Å; K779-S781 PolarHBondContact O-N 3.29Å; S781-L785 WeakPolarHBondContact O-CB 3.41Å; S781-L785 PolarHBondContact O-N 3.18Å
782	L	80.6	Confident	77.8	Confident	122 Å²	122	111.8 Å²	111.8	64%	0.639	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-45.5	175.6	-138.7	80.7	0	0	0	111.7	M778 K779 K784 L785 H786	M778-L782 PolarHBondContact O-N 3.13Å; K779-L782 WeakPolarHBondContact O-CA 3.17Å; K779-L782 WeakPolarHBondContact O-CB 3.47Å; K779-L782 PolarHBondContact O-N 3.44Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 3.19Å; L782-L785 WeakPolarHBondContact O-CB 3.36Å; L782-L785 PolarHBondContact O-N 3.34Å; L782-H786 WeakPolarHBondContact O-CB 3.46Å; L782-H786 PolarHBondContact O-N 3.44Å
783	E	86.4	Confident	75.4	Confident	93 Å²	93	115.7 Å²	115.7	44%	0.435	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-39.2	176.8	-70.7	170.8	165.8	0	0	111.6	K779 H786 R787	K779-E783 WeakPolarHBondContact CE-OE1 3.28Å; K779-E783 HydrophobicContact CG-CG 4.44Å; K779-E783 IonicContact NZ-OE1 2.67Å; K779-E783 WeakPolarHBondContact O-CG 3.32Å; K779-E783 PolarHBondContact O-N 2.86Å; E783-H786 PolarHBondContact O-N 3.21Å; E783-R787 WeakPolarHBondContact O-CB 3.49Å; E783-R787 PolarHBondContact O-N 3.44Å
784	K	81.1	Confident	73.1	Confident	145 Å²	145	123.6 Å²	123.6	63%	0.63	61%	0.614	S	S	*	*	H	α-helix	trans	-68	-36.5	173.2	-172.6	175.1	-178	179	0	112.3	H780 L782 N788	H780-K784 WeakPolarHBondContact O-CB 3.31Å; H780-K784 PolarHBondContact O-N 2.98Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 3.19Å; K784-N788 PolarHBondContact O-N 3.45Å; K784-N788 PolarHBondContact O-ND2 3.39Å
785	L	78	Confident	70.8	Confident	106 Å²	106	126.9 Å²	126.9	56%	0.555	63%	0.626	S	S	*	*	H	α-helix	trans	-65	-47.8	173.2	-161.4	85.6	0	0	0	110.6	S781 L782 R787 N788 I789	S781-L785 WeakPolarHBondContact O-CB 3.41Å; S781-L785 PolarHBondContact O-N 3.18Å; L782-L785 WeakPolarHBondContact O-CB 3.36Å; L782-L785 PolarHBondContact O-N 3.34Å; L785-R787 PolarHBondContact O-N 3.09Å; L785-N788 PolarHBondContact O-N 3.39Å; L785-I789 HydrophobicContact CD2-CD1 4.1Å; L785-I789 HydrophobicContact CG-CD1 4Å; L785-I789 WeakPolarHBondContact O-CG1 3.37Å; L785-I789 PolarHBondContact O-N 3.4Å
786	H	74.9	Confident	68.8	Low	126 Å²	126	127.7 Å²	127.7	58%	0.583	64%	0.638	S	S	*	*	H	α-helix	trans	-57.3	-46.5	176.8	-173.5	-94.1	0	0	0	111.7	L782 E783 N788 I789 V790	L782-H786 WeakPolarHBondContact O-CB 3.46Å; L782-H786 PolarHBondContact O-N 3.44Å; E783-H786 PolarHBondContact O-N 3.21Å; H786-N788 PolarHBondContact O-N 3.4Å; H786-I789 PolarHBondContact O-N 3.42Å; H786-I789 VanDerWaalsContact O-N 3.08Å; H786-V790 PolarHBondContact O-N 3.47Å
787	R	75.1	Confident	66.3	Low	205 Å²	205	131.7 Å²	131.7	77%	0.774	66%	0.659	S	S	*	*	H	α-helix	trans	-63.1	-19.5	173.8	-89.3	-170.7	60.6	-177.9	-2.4	115.4	E783 L785	E783-R787 WeakPolarHBondContact O-CB 3.49Å; E783-R787 PolarHBondContact O-N 3.44Å; L785-R787 PolarHBondContact O-N 3.09Å
788	N	66.3	Low	64.6	Low	125 Å²	125	131.3 Å²	131.3	67%	0.668	67%	0.668	S	S	*	*	H	α-helix	trans	-93.4	-14.9	174.6	-69.7	-18.6	0	0	0	112.7	K784 L785 H786	K784-N788 PolarHBondContact O-N 3.45Å; K784-N788 PolarHBondContact O-ND2 3.39Å; L785-N788 PolarHBondContact O-N 3.39Å; H786-N788 PolarHBondContact O-N 3.4Å
789	I	68.3	Low	62.3	Low	121 Å²	121	130.6 Å²	130.6	62%	0.621	67%	0.674	S	S	*	*	H	α-helix	trans	-90.1	-34.8	176.6	-69	164.3	0	0	0	110.5	L785 H786 V791	L785-I789 HydrophobicContact CD2-CD1 4.1Å; L785-I789 HydrophobicContact CG-CD1 4Å; L785-I789 WeakPolarHBondContact O-CG1 3.37Å; L785-I789 PolarHBondContact O-N 3.4Å; H786-I789 PolarHBondContact O-N 3.42Å; H786-I789 VanDerWaalsContact O-N 3.08Å; I789-V791 PolarHBondContact O-N 3.33Å; I789-V791 VanDerWaalsContact O-N 3.14Å
790	V	56.5	Low	59.9	Low	85 Å²	85	131.9 Å²	131.9	52%	0.515	69%	0.691	S	S	.	*	S	Bend	trans	-73.4	101.1	169.1	-179.5	0	0	0	0	109.1	H786	H786-V790 PolarHBondContact O-N 3.47Å
791	V	50.2	Low	57.6	Low	122 Å²	122	133.1 Å²	133.1	74%	0.739	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-61.6	131.1	168.2	179.3	0	0	0	0	108.4	I789 D793	I789-V791 PolarHBondContact O-N 3.33Å; I789-V791 VanDerWaalsContact O-N 3.14Å; V791-D793 PolarHBondContact O-N 3.16Å
792	P	48.7	Very low	55.2	Low	114 Å²	114	135.4 Å²	135.4	74%	0.74	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-68.3	128.3	173.9	28.4	-33.3	0	0	0	109.6
793	D	40.1	Very low	53.1	Low	160 Å²	160	138.1 Å²	138.1	86%	0.856	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-66.2	155.9	172.2	-132.9	-33	0	0	0	110.7	V791	V791-D793 PolarHBondContact O-N 3.16Å
794	R	37.9	Very low	50.6	Low	235 Å²	235	138.8 Å²	138.8	89%	0.887	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-75	130.2	-176	-80.8	178	163.8	153.2	-6.9	111.5
795	E	40.7	Very low	48.7	Very low	186 Å²	186	139.8 Å²	139.8	87%	0.869	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-66.5	142.5	160.3	-69.6	-165.9	132.4	0	0	110.7
796	P	41.8	Very low	46.7	Very low	122 Å²	122	140.2 Å²	140.2	79%	0.792	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-82	141.2	169.5	33.3	-32.9	0	0	0	111.7
797	D	33.8	Very low	45.1	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-83.3	132	-175.5	-148.6	-13	0	0	0	111.7
798	P	51.1	Low	43.3	Very low	117 Å²	117	143.5 Å²	143.5	76%	0.76	80%	0.799	S	S	*	*			trans	-102.4	88.3	-173.3	36.5	-33	0	0	0	114.7
799	S	35.6	Very low	42.2	Very low	104 Å²	104	144.5 Å²	144.5	73%	0.727	81%	0.806	S	S	*	*			trans	-173.7	154	161.3	50.8	0	0	0	0	111.2
800	V	36.2	Very low	40.8	Very low	133 Å²	133	145.7 Å²	145.7	81%	0.806	82%	0.816	S	S	*	*			cis	-151.9	164.4	-12.4	120.7	0	0	0	0	108.6
801	D	40.4	Very low	40	Very low	141 Å²	141	149.1 Å²	149.1	75%	0.754	83%	0.832	S	S	*	*			trans	-63.1	151.9	-171	-43.2	-101.2	0	0	0	116.9
802	T	35	Very low	39.4	Very low	125 Å²	125	150.6 Å²	150.6	77%	0.767	84%	0.838	S	S	*	*				-161.9	134.5	129.8	-1.7	0	0	0	0	113.6
803	E	36.7	Very low	38.8	Very low	180 Å²	180	152.9 Å²	152.9	84%	0.841	84%	0.844	S	S	*	*			trans	17	145.9	139.1	-67.7	-178.1	121.6	0	0	121.2
804	S	35.2	Very low	38.7	Very low	107 Å²	107	152.5 Å²	152.5	75%	0.748	84%	0.843	S	S	*	*			cis	-159.6	178.2	17.2	46.3	0	0	0	0	113.8
805	L	40.9	Very low	38.7	Very low	165 Å²	165	146.6 Å²	146.6	86%	0.864	84%	0.84	S	S	*	*			trans	-55.4	150.4	179	-50.8	75.5	0	0	0	115.2
806	S	34.7	Very low	38.6	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	84%	0.838	S	S	*	*				-164.7	143.2	115	61.7	0	0	0	0	113.1
807	E	41.8	Very low	38.3	Very low	183 Å²	183	145.3 Å²	145.3	86%	0.855	84%	0.842	S	S	*	*			trans	-58.4	137.1	176.4	-57.3	150.3	112.6	0	0	113.8
808	T	38.4	Very low	38.7	Very low	218 Å²	218	144.4 Å²	144.4	100%	1.337	84%	0.842	S	S	*	*				-171.1	0	103.8	18.2	0	0	0	0	112.4

Retrieved 808 of 808 residues in 545.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).