A0A3Q0KKE8_SCHMA Loading...

Arrestin_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A3Q0KKE8_SCHMA|A0A3Q0KKE8
MLKNTNHLSTISSTHQNDREKLFDFGLPPSARKAYGNLAEQSTRKAYSNINLSDTLTDTDEDYSQRERRYSYYENSGVKPSTKIVKAGSFNCTDSLSYENGSSDWNSSNYRHFPRFKPSNEKIENGKQSESLSINRNISPVAIASSTPKLNHKIPTVMNITNSSVVTGNSFEVSADGMNNSSITQNNPFSPRNATPTAETSAIDDSPSMMRSDAISPSKFRTIQTPSKEVTGNNQYKTKPDKYLKSSNIVIVHAEDSTSNYNDIYPRFTESLMHSYKNHNVADSPQMNNRKHIQLVYAKPSKLRRDIMAHNNNEKVSPVKMSNAPVTHAAPTGTKTTYSFNDHFIIKKPDLSEIPEQKLAILSNQFGELSDSVERVIIRIFDSAVVPGGALRGVVYICLKEPIKLNTLTVTTEMITKTISSDEKQDMEKRIPISYTVLTDDPSLGKRMPIRKFTCQEPEFIQSPVKEVNLSDPCFSPFIGPVQLAPGDHAIPFAFPLESDAHPSILLKGKVGFKHEVEIIHRYYVYASMRLSRPDENNSVTISTDNLNIKVLSCGPPNYTLSNGERIPAIMKTFTMENRQMLIQVENLIFQEADDINIYLFTDEPAGIRYVEAYLLRIFHIPGLKVSDTKALHKLKKYPPNVFIDGRTEKVTFTENLPLPYSEAAETESGRLFSNSQYLPSHYRDFRVSCESLNSTEQSQRTLHCDSYKDLPRDARKAGCHLTLNVPINSVPQSCLESLKITYYIRVLIHGKRKVMAYSLPISVVEQRSKDYKMRYLGEGNHIYDPEYLKLKRDSKCSVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	25.7	Very low	248 Å²	248	159.4 Å²	159.4	100%	1.222	84%	0.842	S	S	*	*				0	155.1	0	-86.5	177.3	160	0	0	109.1
2	L	25	Very low	25.6	Very low	165 Å²	165	154.3 Å²	154.3	86%	0.864	83%	0.829	S	S	*	*			trans	-81.1	152.9	-178.2	-55.8	91.2	0	0	0	112.3
3	K	25.8	Very low	25.5	Very low	190 Å²	190	149.6 Å²	149.6	83%	0.826	82%	0.816	S	S	*	*				-173.9	141.3	116.3	-101.2	166.3	-177.3	-179.9	0	114
4	N	25.7	Very low	25.5	Very low	130 Å²	130	147.8 Å²	147.8	70%	0.695	81%	0.812	S	S	*	*			trans	43.7	83.9	151.4	-59.5	14.1	0	0	0	119.8	N6	N4-N6 VanDerWaalsContact C-N 3.26Å; N4-N6 PolarHBondContact O-N 3.01Å; N4-N6 VanDerWaalsContact O-N 3.16Å
5	T	27.9	Very low	25.4	Very low	129 Å²	129	150.9 Å²	150.9	79%	0.791	82%	0.818	S	S	*	*			trans	-81.7	66.3	154.2	49.5	0	0	0	0	111.4	H7	T5-H7 VanDerWaalsContact C-N 3.29Å; T5-H7 PolarHBondContact O-N 2.81Å
6	N	25.6	Very low	25.6	Very low	136 Å²	136	152.4 Å²	152.4	73%	0.727	82%	0.818	S	S	*	*			trans	-79.2	77.5	169.6	-86.9	5.6	0	0	0	110	N4 L8	N4-N6 VanDerWaalsContact C-N 3.26Å; N4-N6 PolarHBondContact O-N 3.01Å; N4-N6 VanDerWaalsContact O-N 3.16Å; N6-L8 VanDerWaalsContact C-N 3.26Å; N6-L8 PolarHBondContact O-N 2.86Å
7	H	26.4	Very low	25.6	Very low	186 Å²	186	151.9 Å²	151.9	86%	0.861	82%	0.815	S	S	*	*			trans	-74.9	81.1	169.4	-87.9	-68.9	0	0	0	110.7	T5	T5-H7 VanDerWaalsContact C-N 3.29Å; T5-H7 PolarHBondContact O-N 2.81Å
8	L	23.3	Very low	25.6	Very low	142 Å²	142	149.7 Å²	149.7	74%	0.743	80%	0.803	S	S	*	*			trans	-104.2	147.6	167.9	-97	163.7	0	0	0	110.6	N6	N6-L8 VanDerWaalsContact C-N 3.26Å; N6-L8 PolarHBondContact O-N 2.86Å
9	S	24.8	Very low	25.6	Very low	104 Å²	104	153.7 Å²	153.7	73%	0.727	81%	0.805	S	S	*	*	S	Bend	trans	51.1	88.1	166.3	58.2	0	0	0	0	118
10	T	24.4	Very low	25.7	Very low	147 Å²	147	155.3 Å²	155.3	90%	0.902	81%	0.808	S	S	*	*			trans	-165	53.4	132	12.9	0	0	0	0	112	S12	T10-S12 PolarHBondContact O-N 3.24Å
11	I	23.4	Very low	25.7	Very low	176 Å²	176	155.7 Å²	155.7	90%	0.903	80%	0.804	S	S	*	*			trans	-78.5	103.3	162	-62.7	-179.8	0	0	0	107.4
12	S	24.9	Very low	25.4	Very low	98 Å²	98	150.2 Å²	150.2	69%	0.685	78%	0.779	S	S	*	*			trans	-77.9	122.1	178.7	55.1	0	0	0	0	111.9	T10	T10-S12 PolarHBondContact O-N 3.24Å
13	S	24.5	Very low	25.5	Very low	94 Å²	94	150.1 Å²	150.1	66%	0.657	77%	0.772	S	S	*	*	S	Bend	trans	59	144	147.2	54.6	0	0	0	0	121.1	H15	S13-H15 PolarHBondContact O-N 3.02Å
14	T	25.1	Very low	25.6	Very low	124 Å²	124	147.1 Å²	147.1	76%	0.761	77%	0.765	S	S	*	*			trans	64.1	39.1	152.5	49.9	0	0	0	0	119
15	H	24.6	Very low	25.7	Very low	194 Å²	194	148.9 Å²	148.9	90%	0.898	77%	0.767	S	S	*	*			trans	-98.9	75.8	140	-90.6	-60.9	0	0	0	110	S13	S13-H15 PolarHBondContact O-N 3.02Å
16	Q	27.5	Very low	25.6	Very low	176 Å²	176	146.1 Å²	146.1	82%	0.822	76%	0.764	S	S	*	*			trans	-80.6	139.6	167.8	-151.8	166.5	-0.1	0	0	108.1	D18	Q16-D18 PolarHBondContact O-N 3.48Å
17	N	26.3	Very low	25.8	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	76%	0.757	S	S	*	*			trans	-57.9	105.6	-162.6	-71.3	-47.2	0	0	0	114.2	R19	N17-R19 PolarHBondContact O-N 3.03Å
18	D	26.1	Very low	26	Very low	113 Å²	113	139.7 Å²	139.7	60%	0.604	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	27.8	177.5	-135.1	-16.6	0	0	0	113.5	Q16 K21	Q16-D18 PolarHBondContact O-N 3.48Å; D18-K21 VanDerWaalsContact CG-NZ 3.3Å; D18-K21 VanDerWaalsContact OD1-CD 3.32Å; D18-K21 WeakPolarHBondContact OD1-CD 3.27Å; D18-K21 WeakPolarHBondContact OD1-CE 3.14Å; D18-K21 IonicContact OD1-NZ 2.76Å; D18-K21 PolarHBondContact OD1-NZ 2.93Å; D18-K21 IonicContact OD2-NZ 3.82Å; D18-K21 PolarHBondContact OD2-NZ 3.28Å; D18-K21 VanDerWaalsContact OD2-NZ 3.12Å
19	R	25.4	Very low	26.6	Very low	225 Å²	225	138 Å²	138	85%	0.849	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-7.8	-179.3	-109.1	-176.3	175.1	-174.7	-2.2	113.9	N17	N17-R19 PolarHBondContact O-N 3.03Å
20	E	26.8	Very low	27.1	Very low	185 Å²	185	137.9 Å²	137.9	86%	0.864	74%	0.736	S	S	*	*			trans	-93	2.1	-177.3	-64.2	-167	147	0	0	114.7	L22	E20-L22 PolarHBondContact O-N 2.96Å
21	K	25.5	Very low	27.5	Very low	164 Å²	164	132.5 Å²	132.5	71%	0.713	71%	0.706	S	S	*	*			trans	-78.7	28.8	173.2	-71.1	176.5	-175.8	141.5	0	113.7	D18 F23	D18-K21 VanDerWaalsContact CG-NZ 3.3Å; D18-K21 VanDerWaalsContact OD1-CD 3.32Å; D18-K21 WeakPolarHBondContact OD1-CD 3.27Å; D18-K21 WeakPolarHBondContact OD1-CE 3.14Å; D18-K21 IonicContact OD1-NZ 2.76Å; D18-K21 PolarHBondContact OD1-NZ 2.93Å; D18-K21 IonicContact OD2-NZ 3.82Å; D18-K21 PolarHBondContact OD2-NZ 3.28Å; D18-K21 VanDerWaalsContact OD2-NZ 3.12Å; K21-F23 PolarHBondContact O-N 2.95Å
22	L	24.8	Very low	28	Very low	134 Å²	134	131.4 Å²	131.4	70%	0.702	69%	0.691	S	S	*	*	S	Bend	trans	-84.4	110.1	171.4	-111.6	74.7	0	0	0	110.3	E20	E20-L22 PolarHBondContact O-N 2.96Å
23	F	27.2	Very low	28.6	Very low	163 Å²	163	135.9 Å²	135.9	72%	0.715	70%	0.698	S	S	*	*			trans	59.4	68.5	162.5	-55.8	-76.9	0	0	0	117.6	K21 F25	K21-F23 PolarHBondContact O-N 2.95Å; F23-F25 HydrophobicContact CB-CD2 3.95Å; F23-F25 HydrophobicContact CB-CE2 3.99Å; F23-F25 HydrophobicContact CD1-CE2 4.11Å; F23-F25 HydrophobicContact CG-CE2 4.35Å; F23-F25 PolarHBondContact O-N 2.81Å
24	D	26.7	Very low	29	Very low	127 Å²	127	134.6 Å²	134.6	68%	0.679	69%	0.693	S	S	*	*			trans	-69.1	78.6	160.2	-168.7	3.9	0	0	0	110.8	G26 R32	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.33Å; D24-R32 IonicContact OD1-NH2 3.78Å; D24-R32 IonicContact OD2-NH2 3.19Å
25	F	29.4	Very low	29.2	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.732	69%	0.691	S	S	*	*			trans	-69.3	88.6	162.4	-81.1	-82.1	0	0	0	108.1	F23 L27	F23-F25 HydrophobicContact CB-CD2 3.95Å; F23-F25 HydrophobicContact CB-CE2 3.99Å; F23-F25 HydrophobicContact CD1-CE2 4.11Å; F23-F25 HydrophobicContact CG-CE2 4.35Å; F23-F25 PolarHBondContact O-N 2.81Å; F25-L27 WeakPolarHBondContact O-CG 3.29Å; F25-L27 PolarHBondContact O-N 2.64Å
26	G	25.9	Very low	29.6	Very low	71 Å²	71	130.1 Å²	130.1	73%	0.732	67%	0.668	S	S	*	*			trans	-44.6	88.5	-167.6	0	0	0	0	0	116.3	D24	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.33Å
27	L	28.4	Very low	29.9	Very low	109 Å²	109	127.6 Å²	127.6	57%	0.571	66%	0.66	S	S	*	*			trans	-91.5	139.6	173	-78.7	167.1	0	0	0	110.1	F25 A31	F25-L27 WeakPolarHBondContact O-CG 3.29Å; F25-L27 PolarHBondContact O-N 2.64Å; L27-A31 HydrophobicContact CB-CB 4.43Å
28	P	30.6	Very low	30	Very low	78 Å²	78	126.8 Å²	126.8	51%	0.506	66%	0.655	S	S	.	*			trans	-64.6	152.1	-178.9	27	-34.5	0	0	0	111.8	S30 A31	P28-S30 PolarHBondContact O-N 3.16Å; P28-A31 PolarHBondContact O-N 2.7Å
29	P	36.7	Very low	30.2	Very low	105 Å²	105	124.4 Å²	124.4	68%	0.682	65%	0.652	S	S	*	*	H	α-helix	trans	-56.6	-27.8	-168	-29.2	36.3	0	0	0	116.1	A31 R32	P29-A31 VanDerWaalsContact C-N 3.29Å; P29-A31 PolarHBondContact O-N 3.46Å; P29-R32 WeakPolarHBondContact O-CB 3.29Å; P29-R32 PolarHBondContact O-N 3.31Å
30	S	35.8	Very low	30.4	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	64%	0.644	S	S	*	*	H	α-helix	trans	-61.6	-33.7	177.9	48.3	0	0	0	0	113.4	P28 R32	P28-S30 PolarHBondContact O-N 3.16Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 3.41Å
31	A	32.2	Very low	30.5	Very low	34 Å²	34	119.2 Å²	119.2	28%	0.281	64%	0.637	S	S	.	*	H	α-helix	trans	-70.7	-25.5	178.4	0	0	0	0	0	112.9	L27 P28 P29 K33 A34	L27-A31 HydrophobicContact CB-CB 4.43Å; P28-A31 PolarHBondContact O-N 2.7Å; P29-A31 VanDerWaalsContact C-N 3.29Å; P29-A31 PolarHBondContact O-N 3.46Å; A31-K33 VanDerWaalsContact C-N 3.29Å; A31-K33 PolarHBondContact O-N 3.15Å; A31-A34 PolarHBondContact O-N 3.44Å
32	R	33.1	Very low	30.7	Very low	154 Å²	154	115.9 Å²	115.9	58%	0.581	63%	0.634	S	S	*	*	H	α-helix	trans	-64.8	-29.8	-174.9	-61.9	-176.5	174.8	-163	-9.8	112.8	D24 P29 S30 A34	D24-R32 IonicContact OD1-NH2 3.78Å; D24-R32 IonicContact OD2-NH2 3.19Å; P29-R32 WeakPolarHBondContact O-CB 3.29Å; P29-R32 PolarHBondContact O-N 3.31Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 3.41Å; R32-A34 PolarHBondContact O-N 2.78Å
33	K	37	Very low	30.9	Very low	192 Å²	192	113.7 Å²	113.7	84%	0.835	63%	0.627	S	S	*	*	H	α-helix	trans	-72	-21.3	178.1	-88.6	-168.7	171.7	-173.8	0	114.7	A31	A31-K33 VanDerWaalsContact C-N 3.29Å; A31-K33 PolarHBondContact O-N 3.15Å
34	A	33.5	Very low	30.9	Very low	66 Å²	66	116.8 Å²	116.8	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-80.2	-36.6	-178.6	0	0	0	0	0	112.7	A31 R32	A31-A34 PolarHBondContact O-N 3.44Å; R32-A34 PolarHBondContact O-N 2.78Å
35	Y	30.7	Very low	30.9	Very low	184 Å²	184	120 Å²	120	72%	0.722	64%	0.642	S	S	*	*	H	α-helix	trans	-85.9	-23.1	-171.5	-90.6	-87.7	0	0	0	115.2	N37 L38	Y35-N37 VanDerWaalsContact C-N 3.3Å; Y35-N37 PolarHBondContact O-N 3.13Å; Y35-L38 PolarHBondContact O-N 2.86Å
36	G	32	Very low	30.7	Very low	41 Å²	41	115.7 Å²	115.7	42%	0.423	64%	0.637	S	S	.	*	H	α-helix	trans	-57.2	-39.3	-177.2	0	0	0	0	0	113.9
37	N	33	Very low	30.7	Very low	122 Å²	122	122.6 Å²	122.6	65%	0.652	64%	0.642	S	S	*	*	H	α-helix	trans	-81.4	-17.9	-170.9	-69.9	10.6	0	0	0	114.9	Y35	Y35-N37 VanDerWaalsContact C-N 3.3Å; Y35-N37 PolarHBondContact O-N 3.13Å
38	L	29.4	Very low	30.5	Very low	126 Å²	126	121.8 Å²	121.8	66%	0.66	65%	0.645	S	S	*	*	H	α-helix	trans	-84	-36.5	179	-91.8	83.2	0	0	0	112.7	Y35 E40 Q41	Y35-L38 PolarHBondContact O-N 2.86Å; L38-E40 PolarHBondContact O-N 3.08Å; L38-Q41 PolarHBondContact O-N 3.17Å
39	A	30.2	Very low	30.2	Very low	64 Å²	64	125.6 Å²	125.6	53%	0.529	66%	0.662	S	S	.	*	H	α-helix	trans	-66.2	-35.1	-174.4	0	0	0	0	0	113.3	T43	A39-T43 WeakPolarHBondContact O-CG2 3.37Å; A39-T43 PolarHBondContact O-OG1 3.42Å
40	E	30.5	Very low	29.7	Very low	145 Å²	145	128.3 Å²	128.3	68%	0.678	67%	0.669	S	S	*	*	H	α-helix	trans	-73.1	-26.3	-178.3	-63.8	-164.4	140.7	0	0	113.9	L38	L38-E40 PolarHBondContact O-N 3.08Å
41	Q	28.8	Very low	29	Very low	156 Å²	156	130.6 Å²	130.6	73%	0.729	67%	0.673	S	S	*	*	H	α-helix	trans	-84	-38.7	-175.7	-65.7	-164.1	0.8	0	0	113.1	L38	L38-Q41 PolarHBondContact O-N 3.17Å
42	S	29.3	Very low	28.6	Very low	93 Å²	93	137.2 Å²	137.2	65%	0.65	70%	0.703	S	S	*	*	H	α-helix	trans	-74.4	-32.7	-178.7	-59.4	0	0	0	0	113.4	R44	S42-R44 PolarHBondContact O-N 3Å
43	T	29.1	Very low	28	Very low	89 Å²	89	133.6 Å²	133.6	55%	0.546	70%	0.701	S	S	.	*	H	α-helix	trans	-73.9	-24.8	-173.8	46.3	0	0	0	0	113.9	A39 K45	A39-T43 WeakPolarHBondContact O-CG2 3.37Å; A39-T43 PolarHBondContact O-OG1 3.42Å; T43-K45 PolarHBondContact O-N 2.97Å
44	R	26.2	Very low	27.4	Very low	227 Å²	227	131 Å²	131	86%	0.857	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-1.2	-178.8	-76.9	-168.7	175.5	-158.5	1.3	116	S42	S42-R44 PolarHBondContact O-N 3Å
45	K	27.1	Very low	26.9	Very low	195 Å²	195	134.6 Å²	134.6	85%	0.848	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-3.5	-176.6	-86.1	-169.8	172.6	-175.1	0	116.4	T43	T43-K45 PolarHBondContact O-N 2.97Å
46	A	26.1	Very low	26.4	Very low	76 Å²	76	134 Å²	134	63%	0.628	72%	0.72	S	S	*	*	S	Bend	trans	-106.9	-7.4	-175.6	0	0	0	0	0	115
47	Y	24.5	Very low	26	Very low	216 Å²	216	138.1 Å²	138.1	85%	0.847	74%	0.737	S	S	*	*	S	Bend	trans	-116	58.4	-175.3	-73.3	-75.6	0	0	0	112.9
48	S	25.2	Very low	25.4	Very low	92 Å²	92	139.5 Å²	139.5	64%	0.643	74%	0.744	S	S	*	*	S	Bend	trans	-146.1	140	158.1	54.8	0	0	0	0	109.9
49	N	24.1	Very low	25.1	Very low	158 Å²	158	140.2 Å²	140.2	85%	0.845	75%	0.754	S	S	*	*			trans	69.6	62.2	172.2	-50.5	-9.4	0	0	0	117.5
50	I	25.2	Very low	24.7	Very low	163 Å²	163	145 Å²	145	84%	0.836	77%	0.771	S	S	*	*			trans	-126.7	118.3	138.4	-59.1	-178.4	0	0	0	106.8
51	N	22.9	Very low	24.5	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	77%	0.773	S	S	*	*			trans	-96.5	132.5	-179.4	-143.9	20.5	0	0	0	108.7	S53	N51-S53 PolarHBondContact O-N 3.19Å
52	L	22.4	Very low	24.3	Very low	172 Å²	172	144.3 Å²	144.3	90%	0.901	77%	0.772	S	S	*	*			trans	-98.8	85.6	-177.5	-82.5	162.8	0	0	0	110.6
53	S	21.4	Very low	24.2	Very low	78 Å²	78	149.2 Å²	149.2	55%	0.545	78%	0.778	S	S	.	*			trans	-147	161.2	165	65.3	0	0	0	0	111	N51	N51-S53 PolarHBondContact O-N 3.19Å
54	D	23.8	Very low	24	Very low	139 Å²	139	149.3 Å²	149.3	74%	0.743	78%	0.782	S	S	*	*			trans	67.6	71.9	161.5	-43.4	-44.6	0	0	0	117.9
55	T	24.1	Very low	24	Very low	140 Å²	140	146.9 Å²	146.9	86%	0.859	78%	0.781	S	S	*	*				-168.1	106.3	112.8	15.2	0	0	0	0	112.6
56	L	19.7	Very low	23.9	Very low	172 Å²	172	149.1 Å²	149.1	90%	0.901	78%	0.784	S	S	*	*			trans	-130.3	112.7	164.2	-92.8	170	0	0	0	107.6
57	T	22.5	Very low	23.9	Very low	128 Å²	128	154.7 Å²	154.7	79%	0.785	80%	0.797	S	S	*	*			trans	-153.5	130.2	164.7	45.7	0	0	0	0	108.8
58	D	20.8	Very low	23.9	Very low	150 Å²	150	155.5 Å²	155.5	80%	0.802	80%	0.798	S	S	*	*			trans	-74.6	152.8	-178.4	-45.5	-86.3	0	0	0	112.8
59	T	23.3	Very low	23.8	Very low	141 Å²	141	161.3 Å²	161.3	87%	0.865	81%	0.806	S	S	*	*			trans	-143.3	97.5	152.4	29.3	0	0	0	0	109.8	E61	T59-E61 PolarHBondContact O-N 2.9Å
60	D	22.1	Very low	23.9	Very low	164 Å²	164	163.9 Å²	163.9	88%	0.877	81%	0.805	S	S	*	*			trans	-66.6	122.6	160	-71.5	-55.2	0	0	0	109.3
61	E	27	Very low	23.8	Very low	157 Å²	157	161.4 Å²	161.4	73%	0.734	80%	0.803	S	S	*	*			trans	-125	115.3	155.5	-84.6	-145	160.9	0	0	110.6	T59	T59-E61 PolarHBondContact O-N 2.9Å
62	D	23.1	Very low	23.7	Very low	131 Å²	131	164 Å²	164	70%	0.701	80%	0.802	S	S	*	*			trans	-80.2	116.7	179.8	-179.5	-2	0	0	0	111	S64	D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 3.04Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-S64 PolarHBondContact OD2-OG 3.17Å
63	Y	27.7	Very low	23.8	Very low	195 Å²	195	166.9 Å²	166.9	77%	0.765	80%	0.803	S	S	*	*			trans	-111.7	39.5	174.7	-96.7	-87.5	0	0	0	113.6	Q65	Y63-Q65 PolarHBondContact O-N 3.33Å
64	S	24.2	Very low	23.7	Very low	92 Å²	92	171 Å²	171	64%	0.643	81%	0.814	S	S	*	*			trans	-64.3	44.8	172	55.3	0	0	0	0	115.4	D62	D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 3.04Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-S64 PolarHBondContact OD2-OG 3.17Å
65	Q	25.9	Very low	23.6	Very low	176 Å²	176	171.1 Å²	171.1	82%	0.822	81%	0.814	S	S	*	*			trans	-148.4	47.4	-176	-136.1	173.3	112.7	0	0	117.5	Y63	Y63-Q65 PolarHBondContact O-N 3.33Å
66	R	26.6	Very low	23.6	Very low	242 Å²	242	170.5 Å²	170.5	91%	0.913	82%	0.816	S	S	*	*			trans	-126	2.6	159.2	-81.8	-164.8	175.4	179.1	2.1	117.3	R68	R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.01Å
67	E	25.9	Very low	23.7	Very low	193 Å²	193	165.7 Å²	165.7	90%	0.902	81%	0.808	S	S	*	*			trans	-76.8	77	161.1	-70.7	-159.7	134.1	0	0	111.3
68	R	24.1	Very low	23.8	Very low	232 Å²	232	166.7 Å²	166.7	88%	0.875	81%	0.813	S	S	*	*			trans	-170.6	129.4	159.8	-103.3	154.8	-160.4	-159.8	6.3	108.8	R66	R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.01Å
69	R	23.8	Very low	24	Very low	215 Å²	215	168.5 Å²	168.5	81%	0.811	81%	0.814	S	S	*	*	S	Bend	trans	78.3	116.4	-159.1	-49.3	166.9	-167.6	-169.4	3.9	110.9
70	Y	26	Very low	24.1	Very low	212 Å²	212	168 Å²	168	83%	0.831	81%	0.813	S	S	*	*			cis	-129.7	118	14.3	-74.8	-92.9	0	0	0	113.1
71	S	22.2	Very low	24.1	Very low	111 Å²	111	165.5 Å²	165.5	78%	0.776	81%	0.809	S	S	*	*			trans	-108.1	74.1	167.6	57.3	0	0	0	0	109.6
72	Y	22.4	Very low	24	Very low	204 Å²	204	165 Å²	165	80%	0.8	82%	0.816	S	S	*	*			trans	-152	93.3	174.6	-101.1	-77.6	0	0	0	110.4
73	Y	24.5	Very low	23.9	Very low	232 Å²	232	168 Å²	168	91%	0.91	82%	0.823	S	S	*	*			trans	-179.2	86.9	130.7	-96.8	-61.3	0	0	0	109.2
74	E	19.1	Very low	23.6	Very low	166 Å²	166	166.2 Å²	166.2	78%	0.776	83%	0.825	S	S	*	*			trans	-79.7	158.6	162.9	-88.2	-164.2	122.4	0	0	111.4
75	N	20.8	Very low	23.5	Very low	141 Å²	141	168.4 Å²	168.4	75%	0.754	84%	0.835	S	S	*	*			trans	58.5	85.8	150.9	-67.3	-42.6	0	0	0	119.1
76	S	24.3	Very low	23.1	Very low	127 Å²	127	169 Å²	169	89%	0.888	83%	0.834	S	S	*	*				-152.1	148.3	113.8	58.1	0	0	0	0	110
77	G	21.4	Very low	22.8	Very low	71 Å²	71	162 Å²	162	73%	0.732	83%	0.828	S	S	*	*			cis	150.5	15.8	3.1	0	0	0	0	0	114.1
78	V	24.5	Very low	22.6	Very low	148 Å²	148	156.6 Å²	156.6	90%	0.897	82%	0.824	S	S	*	*			trans	-88.7	112.7	-175	-175.9	0	0	0	0	110.4
79	K	24.3	Very low	22.5	Very low	188 Å²	188	150.1 Å²	150.1	82%	0.817	81%	0.814	S	S	*	*			trans	-75.5	149.5	173.8	-74	-177.9	176.5	178.6	0	111.3
80	P	26.5	Very low	22.4	Very low	132 Å²	132	149.9 Å²	149.9	86%	0.857	82%	0.819	S	S	*	*			trans	-81.2	132.8	-175.7	32	-34.9	0	0	0	112.5
81	S	21.6	Very low	22.1	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	81%	0.811	S	S	*	*			trans	-154.8	52.9	177.1	69.9	0	0	0	0	116.1
82	T	24.8	Very low	22	Very low	145 Å²	145	146.8 Å²	146.8	89%	0.89	82%	0.818	S	S	*	*			trans	-143.8	137	155.2	2	0	0	0	0	111	I84	T82-I84 PolarHBondContact O-N 3.23Å
83	K	22.1	Very low	21.8	Very low	194 Å²	194	142 Å²	142	84%	0.843	81%	0.81	S	S	*	*			trans	-72	128	-176	-66.3	178.4	178.3	176.6	0	110.8	V85	K83-V85 PolarHBondContact O-N 3.11Å; K83-V85 VanDerWaalsContact O-N 3.12Å
84	I	21.3	Very low	21.7	Very low	158 Å²	158	136.9 Å²	136.9	81%	0.81	80%	0.799	S	S	*	*			trans	-69.7	103.7	159.4	-61.3	174.2	0	0	0	107.2	T82 K86	T82-I84 PolarHBondContact O-N 3.23Å; I84-K86 PolarHBondContact O-N 2.79Å
85	V	20.7	Very low	21.8	Very low	139 Å²	139	134.8 Å²	134.8	84%	0.842	80%	0.802	S	S	*	*			trans	-76.9	100.1	165.7	179.9	0	0	0	0	107.2	K83	K83-V85 PolarHBondContact O-N 3.11Å; K83-V85 VanDerWaalsContact O-N 3.12Å
86	K	19.2	Very low	21.9	Very low	189 Å²	189	135.4 Å²	135.4	82%	0.822	81%	0.805	S	S	*	*			trans	-89.2	166.1	172.2	-156.4	175.2	-177.4	-178.8	0	109.4	I84	I84-K86 PolarHBondContact O-N 2.79Å
87	A	20.4	Very low	21.7	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	79%	0.79	S	S	*	*			trans	75.9	62.6	177.6	0	0	0	0	0	116.4
88	G	21	Very low	21.7	Very low	80 Å²	80	141.4 Å²	141.4	83%	0.825	80%	0.8	S	S	*	*			trans	-105.8	74.6	143.9	0	0	0	0	0	109.1	F90	G88-F90 PolarHBondContact O-N 3.2Å; G88-F90 VanDerWaalsContact O-N 3.15Å
89	S	21.5	Very low	21.4	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	79%	0.792	S	S	*	*			trans	-74.8	100.4	-178.4	50.1	0	0	0	0	110.6	N91	S89-N91 PolarHBondContact O-N 2.87Å; S89-N91 VanDerWaalsContact O-N 3.13Å
90	F	21	Very low	21.3	Very low	210 Å²	210	140.9 Å²	140.9	92%	0.921	80%	0.796	S	S	*	*			trans	-74.3	101	170.6	-122.9	-88.6	0	0	0	109.2	G88	G88-F90 PolarHBondContact O-N 3.2Å; G88-F90 VanDerWaalsContact O-N 3.15Å
91	N	20.7	Very low	21	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	79%	0.793	S	S	*	*			trans	-67.7	131.7	175.6	-73.2	-11.9	0	0	0	109.9	S89 T93	S89-N91 PolarHBondContact O-N 2.87Å; S89-N91 VanDerWaalsContact O-N 3.13Å; N91-T93 PolarHBondContact O-N 2.86Å
92	C	18.9	Very low	21.1	Very low	137 Å²	137	138.2 Å²	138.2	93%	0.926	79%	0.793	S	S	*	*			trans	-71.4	106.1	157	-64.6	0	0	0	0	107.9
93	T	19.5	Very low	21	Very low	103 Å²	103	136.6 Å²	136.6	63%	0.632	79%	0.787	S	S	*	*			trans	-136.3	125.4	167.6	8.9	0	0	0	0	110.1	N91	N91-T93 PolarHBondContact O-N 2.86Å
94	D	22	Very low	21.1	Very low	125 Å²	125	133.6 Å²	133.6	67%	0.668	78%	0.781	S	S	*	*			trans	64	87.9	152.8	-49.7	-34.4	0	0	0	120	L96	D94-L96 PolarHBondContact O-N 2.86Å; D94-L96 VanDerWaalsContact O-N 3.12Å
95	S	21.9	Very low	21.1	Very low	121 Å²	121	138.7 Å²	138.7	85%	0.846	79%	0.79	S	S	*	*				42.1	60.3	98.7	-48.7	0	0	0	0	117.8
96	L	21.4	Very low	21.2	Very low	155 Å²	155	137.6 Å²	137.6	81%	0.812	78%	0.779	S	S	*	*			trans	-99.4	96.4	166.8	-84.9	167.8	0	0	0	112.6	D94	D94-L96 PolarHBondContact O-N 2.86Å; D94-L96 VanDerWaalsContact O-N 3.12Å
97	S	21	Very low	21.6	Very low	82 Å²	82	134.7 Å²	134.7	57%	0.573	78%	0.783	S	S	*	*			trans	30.6	103.4	139.7	60.4	0	0	0	0	118.4
98	Y	21.3	Very low	21.7	Very low	242 Å²	242	134.2 Å²	134.2	95%	0.949	77%	0.774	S	S	*	*			trans	-122.1	92.8	134.4	-109.1	-85.8	0	0	0	108.8
99	E	18.6	Very low	21.8	Very low	158 Å²	158	136.9 Å²	136.9	74%	0.738	77%	0.769	S	S	*	*			trans	-76.5	174.7	167	-65.8	-174.7	114.9	0	0	110.8
100	N	21.6	Very low	22	Very low	167 Å²	167	142.8 Å²	142.8	89%	0.893	78%	0.778	S	S	*	*			trans	69.5	86	172.4	-55.6	-49.4	0	0	0	115.7
101	G	21	Very low	22.2	Very low	78 Å²	78	143.2 Å²	143.2	80%	0.804	77%	0.774	S	S	*	*			trans	-146.8	12.5	177.2	0	0	0	0	0	116.6
102	S	23.4	Very low	22.4	Very low	109 Å²	109	146 Å²	146	76%	0.762	78%	0.783	S	S	*	*			trans	57.8	121.3	179.9	-155.5	0	0	0	0	117.9	D104	S102-D104 PolarHBondContact O-N 3.16Å
103	S	22.9	Very low	22.6	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	78%	0.778	S	S	*	*			trans	-73.6	117.7	164	52.8	0	0	0	0	111
104	D	24.1	Very low	22.9	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	78%	0.783	S	S	*	*			trans	-147.5	57.7	163.8	-121.3	-31.8	0	0	0	111.9	S102 N106	S102-D104 PolarHBondContact O-N 3.16Å; D104-N106 PolarHBondContact O-N 2.86Å
105	W	20.3	Very low	22.9	Very low	264 Å²	264	154.3 Å²	154.3	100%	1	79%	0.794	S	S	*	*			trans	-72.9	70.1	170	-89.4	81.1	0	0	0	110.8
106	N	23.9	Very low	23	Very low	117 Å²	117	158.5 Å²	158.5	63%	0.626	80%	0.797	S	S	*	*			trans	-117.9	107.8	175.9	-120.9	-41.2	0	0	0	111.3	D104 S108	D104-N106 PolarHBondContact O-N 2.86Å; N106-S108 PolarHBondContact O-N 3.18Å
107	S	26.7	Very low	23.1	Very low	128 Å²	128	160.3 Å²	160.3	90%	0.895	80%	0.798	S	S	*	*			trans	-80	47.4	-172.1	46.8	0	0	0	0	113.7
108	S	24.3	Very low	23.3	Very low	83 Å²	83	162 Å²	162	58%	0.58	81%	0.808	S	S	*	*			trans	-132.5	37.4	-165.9	57.6	0	0	0	0	115	N106	N106-S108 PolarHBondContact O-N 3.18Å
109	N	22.8	Very low	23.5	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	80%	0.798	S	S	*	*			trans	-127.5	32.7	175.3	-103.5	-58.3	0	0	0	115.3	R111	N109-R111 PolarHBondContact O-N 2.88Å
110	Y	24.1	Very low	23.7	Very low	220 Å²	220	155.9 Å²	155.9	86%	0.863	80%	0.804	S	S	*	*			trans	-68	84.2	157.7	-90.9	-78.1	0	0	0	109.7	H112	Y110-H112 PolarHBondContact O-N 3.32Å
111	R	25.3	Very low	23.9	Very low	219 Å²	219	156.3 Å²	156.3	83%	0.826	80%	0.801	S	S	*	*			trans	-58.3	112.6	171	-78.7	-171.1	173.5	-167	-2.2	109.5	N109 F113	N109-R111 PolarHBondContact O-N 2.88Å; R111-F113 PolarHBondContact O-N 2.98Å
112	H	25	Very low	24	Very low	182 Å²	182	161 Å²	161	84%	0.843	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.7	119.2	178	-75.3	-85.7	0	0	0	110.9	Y110	Y110-H112 PolarHBondContact O-N 3.32Å
113	F	23.7	Very low	24	Very low	189 Å²	189	163.9 Å²	163.9	83%	0.829	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-61.5	135.2	158.2	-85.7	-92	0	0	0	109	R111 R115	R111-F113 PolarHBondContact O-N 2.98Å; F113-R115 PolarHBondContact O-N 2.55Å; F113-R115 VanDerWaalsContact O-N 3.13Å
114	P	25.6	Very low	24.1	Very low	115 Å²	115	165.6 Å²	165.6	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.2	118.4	-177.6	-24.5	34.3	0	0	0	111.8	F116	P114-F116 PolarHBondContact O-N 3.39Å
115	R	22.9	Very low	23.9	Very low	235 Å²	235	167.5 Å²	167.5	89%	0.887	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72	116.9	161.5	-77.6	-175.7	175	174.1	-1	107.6	F113 K117	F113-R115 PolarHBondContact O-N 2.55Å; F113-R115 VanDerWaalsContact O-N 3.13Å; R115-K117 PolarHBondContact O-N 2.89Å
116	F	24.1	Very low	24	Very low	208 Å²	208	158.5 Å²	158.5	91%	0.912	80%	0.8	S	S	*	*			trans	-54	109.4	164.6	-74.1	-92.3	0	0	0	108.9	P114	P114-F116 PolarHBondContact O-N 3.39Å
117	K	22.9	Very low	24	Very low	193 Å²	193	163.2 Å²	163.2	84%	0.839	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.1	130.9	162.1	-73.5	-174.9	176.6	-178.9	0	107.1	R115	R115-K117 PolarHBondContact O-N 2.89Å
118	P	25.6	Very low	23.7	Very low	119 Å²	119	166.5 Å²	166.5	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-55.7	141.5	164.6	-21.7	33.3	0	0	0	109.8	N120	P118-N120 PolarHBondContact O-N 2.79Å
119	S	25.5	Very low	23.7	Very low	105 Å²	105	168.3 Å²	168.3	73%	0.734	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.9	127.2	176.8	42.4	0	0	0	0	110.8	E121	S119-E121 VanDerWaalsContact C-N 3.35Å; S119-E121 PolarHBondContact O-N 2.95Å
120	N	22.4	Very low	23.7	Very low	165 Å²	165	170.6 Å²	170.6	88%	0.882	84%	0.835	S	S	*	*			trans	-73.8	86	170	-76.8	-8.3	0	0	0	109.8	P118	P118-N120 PolarHBondContact O-N 2.79Å
121	E	26.2	Very low	23.6	Very low	176 Å²	176	166 Å²	166	82%	0.822	84%	0.835	S	S	*	*			trans	-80.8	123.4	157.8	-70.1	-165.3	136.5	0	0	109.1	S119	S119-E121 VanDerWaalsContact C-N 3.35Å; S119-E121 PolarHBondContact O-N 2.95Å
122	K	21.6	Very low	23.5	Very low	178 Å²	178	163 Å²	163	77%	0.774	84%	0.835	S	S	*	*			trans	-74.4	133.6	175	-63.1	177.9	176.6	-175.3	0	109.3
123	I	25.1	Very low	23.4	Very low	169 Å²	169	159.6 Å²	159.6	87%	0.867	83%	0.831	S	S	*	*			trans	-126.8	125.4	154.4	-59.8	-178.3	0	0	0	106.7
124	E	23	Very low	23.4	Very low	145 Å²	145	157.1 Å²	157.1	68%	0.678	83%	0.825	S	S	*	*			trans	-96.4	143.1	-171.7	-63.2	179.1	151.9	0	0	111.6
125	N	21	Very low	23.2	Very low	172 Å²	172	158.2 Å²	158.2	92%	0.92	83%	0.825	S	S	*	*			trans	22.7	101.9	153.1	-58.3	-29.2	0	0	0	118.5
126	G	23	Very low	23.3	Very low	75 Å²	75	156.7 Å²	156.7	77%	0.773	82%	0.819	S	S	*	*			trans	-149.7	28.1	-170.9	0	0	0	0	0	120.7
127	K	23.2	Very low	23.2	Very low	216 Å²	216	153.2 Å²	153.2	94%	0.939	81%	0.81	S	S	*	*			trans	62.1	169.6	171.7	-70.4	-179.5	171.4	177.4	0	117.4
128	Q	19.7	Very low	23.3	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	80%	0.804	S	S	*	*			trans	-87.5	129.6	177	-60.7	160.5	-62.7	0	0	111.1
129	S	24.4	Very low	23.2	Very low	122 Å²	122	149.6 Å²	149.6	85%	0.853	80%	0.799	S	S	*	*			trans	-160.7	170.2	148.7	55.9	0	0	0	0	110.2
130	E	23.1	Very low	23.1	Very low	182 Å²	182	150.5 Å²	150.5	85%	0.85	80%	0.802	S	S	*	*			trans	-76.7	166.6	-154	-64.4	164.1	129.2	0	0	115.9	L132	E130-L132 PolarHBondContact O-N 3.33Å
131	S	22.4	Very low	23.2	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	80%	0.796	S	S	*	*			trans	-64.6	94.8	-178.2	53.4	0	0	0	0	113.3	S133	S131-S133 PolarHBondContact O-N 3.3Å
132	L	23.3	Very low	23	Very low	157 Å²	157	144.3 Å²	144.3	82%	0.822	79%	0.791	S	S	*	*			trans	-77.6	117.2	165.5	-96	158.7	0	0	0	110.8	E130 I134	E130-L132 PolarHBondContact O-N 3.33Å; L132-I134 PolarHBondContact O-N 3.09Å
133	S	22.9	Very low	23	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	79%	0.793	S	S	*	*			trans	-67.5	99	175.3	43.2	0	0	0	0	110.6	S131 N135	S131-S133 PolarHBondContact O-N 3.3Å; S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 2.84Å
134	I	23.9	Very low	22.8	Very low	138 Å²	138	139.1 Å²	139.1	71%	0.708	78%	0.784	S	S	*	*			trans	-70.2	89.3	177.9	-49.1	-177.1	0	0	0	109.6	L132 R136	L132-I134 PolarHBondContact O-N 3.09Å; I134-R136 HydrophobicContact CG2-CG 3.94Å; I134-R136 PolarHBondContact O-N 2.92Å
135	N	20.7	Very low	22.8	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	79%	0.786	S	S	*	*			trans	-69.6	77.5	174.4	-170.1	14.1	0	0	0	110.3	S133 N137	S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 2.84Å; N135-N137 VanDerWaalsContact C-N 3.32Å; N135-N137 PolarHBondContact O-N 3.23Å
136	R	24.8	Very low	22.9	Very low	203 Å²	203	134 Å²	134	77%	0.766	78%	0.777	S	S	*	*			trans	-71	89.5	175.3	-85.3	-176.4	178	176.9	0.3	109.9	I134 I138	I134-R136 HydrophobicContact CG2-CG 3.94Å; I134-R136 PolarHBondContact O-N 2.92Å; R136-I138 HydrophobicContact CB-CG1 4.36Å; R136-I138 PolarHBondContact O-N 3.2Å
137	N	22.6	Very low	22.9	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	77%	0.774	S	S	*	*			trans	-56.7	86.1	154.4	-78.2	-26	0	0	0	109.1	N135 S139	N135-N137 VanDerWaalsContact C-N 3.32Å; N135-N137 PolarHBondContact O-N 3.23Å; N137-S139 VanDerWaalsContact C-N 3.34Å; N137-S139 PolarHBondContact O-N 3.31Å
138	I	25.6	Very low	22.9	Very low	140 Å²	140	131.1 Å²	131.1	72%	0.718	77%	0.765	S	S	*	*			trans	-79.6	93.2	162.6	-57.9	179.3	0	0	0	105.5	R136	R136-I138 HydrophobicContact CB-CG1 4.36Å; R136-I138 PolarHBondContact O-N 3.2Å
139	S	23	Very low	23	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-49.1	137.3	168.7	-60.1	0	0	0	0	109.1	N137 V141	N137-S139 VanDerWaalsContact C-N 3.34Å; N137-S139 PolarHBondContact O-N 3.31Å; S139-V141 PolarHBondContact O-N 2.79Å
140	P	23.7	Very low	23	Very low	124 Å²	124	131.1 Å²	131.1	81%	0.805	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.7	120	-173.1	23.8	-33.5	0	0	0	109.8	A142	P140-A142 PolarHBondContact O-N 2.92Å
141	V	22.9	Very low	23	Very low	124 Å²	124	129.1 Å²	129.1	75%	0.752	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-55.9	117.3	163.6	174.9	0	0	0	0	105.8	S139 I143	S139-V141 PolarHBondContact O-N 2.79Å; V141-I143 PolarHBondContact O-N 3.24Å
142	A	22.2	Very low	23.1	Very low	87 Å²	87	131.1 Å²	131.1	72%	0.719	74%	0.743	S	S	*	*			trans	-58.5	112	179.4	0	0	0	0	0	108	P140 A144	P140-A142 PolarHBondContact O-N 2.92Å; A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 2.73Å
143	I	22.2	Very low	23	Very low	157 Å²	157	132.9 Å²	132.9	81%	0.805	74%	0.744	S	S	*	*			trans	-64.6	98.4	169	-61.5	175.6	0	0	0	104.9	V141 S145	V141-I143 PolarHBondContact O-N 3.24Å; I143-S145 PolarHBondContact O-N 3.23Å
144	A	22.1	Very low	23	Very low	82 Å²	82	134.7 Å²	134.7	68%	0.678	74%	0.744	S	S	*	*			trans	-59.1	106.7	172.8	0	0	0	0	0	106.4	A142 S146	A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 2.73Å; A144-S146 PolarHBondContact O-N 3.31Å
145	S	22.3	Very low	23	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	74%	0.744	S	S	*	*			trans	-75.4	64.2	-179.4	45.3	0	0	0	0	109.7	I143 T147	I143-S145 PolarHBondContact O-N 3.23Å; S145-T147 PolarHBondContact O-N 3.01Å; S145-T147 PolarHBondContact O-OG1 3.03Å
146	S	23.2	Very low	23.1	Very low	103 Å²	103	133 Å²	133	72%	0.72	75%	0.747	S	S	*	*			trans	-69.5	70.4	169.3	60.4	0	0	0	0	109.2	A144 P148	A144-S146 PolarHBondContact O-N 3.31Å; S146-P148 WeakPolarHBondContact O-CD 3.2Å; S146-P148 VanDerWaalsContact O-N 3.15Å
147	T	22.6	Very low	23	Very low	116 Å²	116	129.3 Å²	129.3	71%	0.712	75%	0.747	S	S	*	*			trans	-49.2	119.5	153.4	29	0	0	0	0	106.5	S145 K149	S145-T147 PolarHBondContact O-N 3.01Å; S145-T147 PolarHBondContact O-OG1 3.03Å; T147-K149 PolarHBondContact O-N 3.3Å
148	P	24	Very low	22.9	Very low	116 Å²	116	130.7 Å²	130.7	75%	0.753	75%	0.751	S	S	*	*			trans	-66.3	102.3	-173.9	24.8	-32.9	0	0	0	108.3	S146 L150	S146-P148 WeakPolarHBondContact O-CD 3.2Å; S146-P148 VanDerWaalsContact O-N 3.15Å; P148-L150 PolarHBondContact O-N 2.86Å
149	K	21.9	Very low	22.7	Very low	180 Å²	180	131 Å²	131	78%	0.783	75%	0.754	S	S	*	*			trans	-61.7	104.9	169.5	-77.7	-174.5	175.3	-179.5	0	107	T147 N151	T147-K149 PolarHBondContact O-N 3.3Å; K149-N151 PolarHBondContact O-N 3.41Å
150	L	23.3	Very low	22.7	Very low	139 Å²	139	134 Å²	134	73%	0.728	76%	0.761	S	S	*	*			trans	-60	94.7	161.5	-85.7	104.9	0	0	0	107.4	P148 H152	P148-L150 PolarHBondContact O-N 2.86Å; L150-H152 PolarHBondContact O-CD2 2.79Å; L150-H152 PolarHBondContact O-N 3Å
151	N	23.6	Very low	22.7	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	76%	0.758	S	S	*	*			trans	-67.4	90.9	168	-82	-24.5	0	0	0	107.2	K149 K153	K149-N151 PolarHBondContact O-N 3.41Å; N151-K153 PolarHBondContact O-N 3.39Å
152	H	23.6	Very low	22.7	Very low	164 Å²	164	135.1 Å²	135.1	76%	0.759	76%	0.761	S	S	*	*			trans	-62.6	76.1	163.6	-70.5	-87.6	0	0	0	108.9	L150 I154	L150-H152 PolarHBondContact O-CD2 2.79Å; L150-H152 PolarHBondContact O-N 3Å; H152-I154 VanDerWaalsContact C-N 3.27Å; H152-I154 PolarHBondContact O-N 2.85Å
153	K	22.6	Very low	22.7	Very low	194 Å²	194	136.1 Å²	136.1	84%	0.843	76%	0.762	S	S	*	*			trans	-65.7	94.9	162.8	-87.4	-168.1	171.5	-175.2	0	106.9	N151	N151-K153 PolarHBondContact O-N 3.39Å
154	I	22.8	Very low	22.7	Very low	148 Å²	148	134.2 Å²	134.2	76%	0.759	76%	0.763	S	S	*	*			trans	-51.2	122.6	162.8	-60.8	169.9	0	0	0	106.1	H152 T156	H152-I154 VanDerWaalsContact C-N 3.27Å; H152-I154 PolarHBondContact O-N 2.85Å; I154-T156 PolarHBondContact O-N 3.45Å; I154-T156 VanDerWaalsContact O-N 3.17Å
155	P	24.2	Very low	22.8	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	77%	0.772	S	S	*	*			trans	-67.1	117.8	-177.3	25.9	-32.9	0	0	0	109.3	V157	P155-V157 PolarHBondContact O-N 3.02Å; P155-V157 VanDerWaalsContact O-N 3.13Å
156	T	22.7	Very low	22.7	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	77%	0.771	S	S	*	*			trans	-62.6	115.6	174	-49.7	0	0	0	0	108.9	I154 M158	I154-T156 PolarHBondContact O-N 3.45Å; I154-T156 VanDerWaalsContact O-N 3.17Å; T156-M158 PolarHBondContact O-N 3.43Å
157	V	21.3	Very low	22.6	Very low	124 Å²	124	139.7 Å²	139.7	75%	0.752	78%	0.778	S	S	*	*			trans	-65.4	106.3	178.9	-179.9	0	0	0	0	109	P155 N159	P155-V157 PolarHBondContact O-N 3.02Å; P155-V157 VanDerWaalsContact O-N 3.13Å; V157-N159 PolarHBondContact O-N 3.33Å
158	M	20.9	Very low	22.5	Very low	166 Å²	166	137 Å²	137	82%	0.818	77%	0.774	S	S	*	*			trans	-78.7	115.7	164.4	-76	-165.6	-75	0	0	108.6	T156 I160	T156-M158 PolarHBondContact O-N 3.43Å; M158-I160 PolarHBondContact O-N 2.91Å
159	N	22.2	Very low	22.4	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	78%	0.78	S	S	*	*			trans	-65.2	102.3	168.8	-87.4	-15.2	0	0	0	109.1	V157 T161	V157-N159 PolarHBondContact O-N 3.33Å; N159-T161 VanDerWaalsContact C-N 3.31Å; N159-T161 PolarHBondContact O-N 3.03Å
160	I	22.4	Very low	22.4	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	77%	0.771	S	S	*	*			trans	-78.2	84.5	173	-55.4	177.3	0	0	0	108.1	M158	M158-I160 PolarHBondContact O-N 2.91Å
161	T	24.4	Very low	22.3	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	78%	0.777	S	S	*	*			trans	-71.3	148.6	160.4	41.5	0	0	0	0	110.2	N159	N159-T161 VanDerWaalsContact C-N 3.31Å; N159-T161 PolarHBondContact O-N 3.03Å
162	N	22.6	Very low	22.2	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	78%	0.781	S	S	*	*	S	Bend	trans	-60.1	156.7	-176.2	-69.1	-41.8	0	0	0	113.3
163	S	22.5	Very low	22.1	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	79%	0.786	S	S	*	*	S	Bend	trans	74	102.9	178	67.1	0	0	0	0	118.1
164	S	22.4	Very low	22.1	Very low	117 Å²	117	134 Å²	134	82%	0.818	78%	0.781	S	S	*	*			trans	42.9	105.5	142.8	58.8	0	0	0	0	120.6
165	V	22.8	Very low	22.1	Very low	145 Å²	145	131 Å²	131	88%	0.879	78%	0.778	S	S	*	*			trans	-136	150.3	152.3	-178	0	0	0	0	109.4
166	V	19.9	Very low	22	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	79%	0.786	S	S	*	*			trans	-123.5	141.2	-175.3	172.7	0	0	0	0	110.3
167	T	21.4	Very low	22	Very low	142 Å²	142	130.6 Å²	130.6	87%	0.871	78%	0.781	S	S	*	*			trans	60.1	144.1	168.1	48.2	0	0	0	0	120.4
168	G	20	Very low	22.1	Very low	60 Å²	60	134 Å²	134	62%	0.619	79%	0.791	S	S	*	*			trans	142.7	102.4	141.2	0	0	0	0	0	117.8
169	N	22.6	Very low	22.2	Very low	165 Å²	165	133.2 Å²	133.2	88%	0.882	79%	0.79	S	S	*	*			trans	65.4	162.9	152.5	-51.3	-20.3	0	0	0	115.9
170	S	22	Very low	22.1	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	79%	0.79	S	S	*	*			cis	-165.3	166.3	-19.6	39.8	0	0	0	0	105.5
171	F	21.5	Very low	22.1	Very low	196 Å²	196	131.9 Å²	131.9	86%	0.86	79%	0.794	S	S	*	*			cis	-152.9	159.7	34.9	-73.3	-94.8	0	0	0	110.5
172	E	22.1	Very low	22	Very low	179 Å²	179	131.2 Å²	131.2	84%	0.836	80%	0.795	S	S	*	*			trans	-106.4	140.8	170.2	-174.5	167.5	-128.9	0	0	110.6
173	V	20.5	Very low	22	Very low	141 Å²	141	132.3 Å²	132.3	86%	0.855	80%	0.799	S	S	*	*			trans	-105.9	87.4	179.6	-176.8	0	0	0	0	108.9
174	S	22.2	Very low	21.9	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	80%	0.801	S	S	*	*			trans	-66.9	132.4	172	-178	0	0	0	0	110.8
175	A	22.6	Very low	21.8	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	80%	0.801	S	S	*	*			trans	-114.1	125.4	163.3	0	0	0	0	0	108.9
176	D	23.5	Very low	21.8	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	80%	0.802	S	S	*	*	S	Bend	trans	52.8	61.3	161.6	-56.2	-22.9	0	0	0	118.4
177	G	21.6	Very low	22	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	81%	0.805	S	S	*	*				52.7	97.2	123.2	0	0	0	0	0	120
178	M	23.9	Very low	22.3	Very low	195 Å²	195	137 Å²	137	96%	0.961	80%	0.797	S	S	*	*			trans	-128.1	149.4	145.3	-69.9	-163	-179.6	0	0	110.3
179	N	22.6	Very low	22.4	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	81%	0.812	S	S	*	*			trans	-82.3	137.9	-160.5	-74.6	-50	0	0	0	115.5
180	N	21.4	Very low	22.5	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	81%	0.807	S	S	*	*			trans	36.5	122.2	137.6	-58	-16.6	0	0	0	120.4
181	S	22.4	Very low	22.8	Very low	129 Å²	129	143.7 Å²	143.7	90%	0.902	82%	0.818	S	S	*	*				-162	154.7	110.4	22.1	0	0	0	0	111.5
182	S	21	Very low	22.7	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	82%	0.822	S	S	*	*			trans	-97.4	146.5	-168.7	48.5	0	0	0	0	113.9
183	I	23.7	Very low	22.7	Very low	174 Å²	174	144.8 Å²	144.8	89%	0.892	82%	0.82	S	S	*	*			trans	-130.2	142.5	157.2	-65.7	-175.7	0	0	0	108
184	T	20.3	Very low	22.8	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	82%	0.819	S	S	*	*			trans	-103.7	172.7	-167.4	38.2	0	0	0	0	114.4
185	Q	20.1	Very low	22.8	Very low	176 Å²	176	144 Å²	144	82%	0.822	82%	0.822	S	S	*	*			trans	-57.2	155.2	-174.9	-59.4	159.3	-41.7	0	0	114.8
186	N	23.2	Very low	23.1	Very low	167 Å²	167	145.5 Å²	145.5	89%	0.893	82%	0.824	S	S	*	*			trans	-154	164.3	134.1	-112.4	-49.6	0	0	0	112.6
187	N	23.5	Very low	23	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	82%	0.82	S	S	*	*			trans	-95.1	164.6	-153.2	-95.1	-24.1	0	0	0	117
188	P	27.5	Very low	22.9	Very low	109 Å²	109	144.7 Å²	144.7	71%	0.708	82%	0.821	S	S	*	*			trans	-88.6	162.8	-174.9	36.3	-37	0	0	0	114.7
189	F	21.9	Very low	22.8	Very low	213 Å²	213	144.1 Å²	144.1	93%	0.934	82%	0.816	S	S	*	*			trans	-106	140.8	167	-90.6	-92.7	0	0	0	111.6
190	S	24	Very low	22.8	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	81%	0.81	S	S	*	*			trans	-93.1	157.3	-175.7	-68.5	0	0	0	0	113.7
191	P	28.6	Very low	22.8	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	81%	0.811	S	S	*	*			trans	-80.5	169.5	-173.7	33.8	-37.6	0	0	0	114.1
192	R	20.9	Very low	22.7	Very low	247 Å²	247	138.5 Å²	138.5	93%	0.932	80%	0.8	S	S	*	*			trans	-121.3	128.5	177.9	-149.5	176.2	-167.1	178.8	3.3	110.2
193	N	21.2	Very low	22.9	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	80%	0.803	S	S	*	*			trans	-74	154.5	-175.2	-67.1	-18.3	0	0	0	113.4
194	A	23.4	Very low	22.8	Very low	100 Å²	100	139.1 Å²	139.1	83%	0.826	80%	0.795	S	S	*	*			trans	-146.6	115.9	161.9	0	0	0	0	0	111.7
195	T	21.4	Very low	22.9	Very low	132 Å²	132	139.6 Å²	139.6	81%	0.81	79%	0.793	S	S	*	*			trans	-164.7	163.6	172.5	14	0	0	0	0	105.8
196	P	28.6	Very low	23.1	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	79%	0.786	S	S	*	*			cis	-96.9	-140.5	21.9	17.9	5.4	0	0	0	111.4
197	T	21	Very low	23.5	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	78%	0.784	S	S	*	*			cis	-155.7	174.5	14.8	-37.4	0	0	0	0	111.6
198	A	20.1	Very low	23.3	Very low	85 Å²	85	132.3 Å²	132.3	70%	0.702	78%	0.783	S	S	*	*			trans	-119.9	167.3	-179.6	0	0	0	0	0	111.5
199	E	22.4	Very low	23	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	79%	0.785	S	S	*	*			trans	167.3	153.3	157.8	-99.6	168.4	-150.8	0	0	108.7
200	T	21.7	Very low	23.1	Very low	110 Å²	110	131.8 Å²	131.8	68%	0.675	78%	0.777	S	S	*	*			cis	-168.4	156.9	-31.2	14.2	0	0	0	0	108.1
201	S	21.9	Very low	22.8	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	78%	0.784	S	S	*	*			trans	58	162.5	153.6	57.1	0	0	0	0	119.5
202	A	20.5	Very low	22.6	Very low	82 Å²	82	137.3 Å²	137.3	68%	0.678	78%	0.782	S	S	*	*			cis	-170.7	-157.6	-27.2	0	0	0	0	0	105.9
203	I	25.5	Very low	22.6	Very low	159 Å²	159	133.3 Å²	133.3	82%	0.815	78%	0.779	S	S	*	*			trans	74.6	147	174.5	-45.2	165.9	0	0	0	113.8
204	D	21.4	Very low	22.6	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	78%	0.78	S	S	*	*				-174.1	164.4	-61.4	-101.2	-45.8	0	0	0	107.6
205	D	22	Very low	22.7	Very low	139 Å²	139	134.5 Å²	134.5	74%	0.743	78%	0.783	S	S	*	*			trans	52.3	116.9	160.6	-82.6	-43.3	0	0	0	123.2
206	S	23.9	Very low	22.8	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	78%	0.781	S	S	*	*				46.5	148.7	106.3	-48.2	0	0	0	0	121.1
207	P	31.1	Very low	22.8	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	78%	0.783	S	S	*	*			cis	-137.4	-165.4	20	43.3	-24.2	0	0	0	115.7
208	S	20.9	Very low	23	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	78%	0.782	S	S	*	*			trans	-88	166.3	-177.8	58.6	0	0	0	0	115
209	M	21.3	Very low	23.1	Very low	154 Å²	154	138.2 Å²	138.2	76%	0.759	79%	0.79	S	S	*	*				-172.6	143.8	125.8	-105.1	173.1	67.3	0	0	114.6
210	M	22.4	Very low	23.1	Very low	157 Å²	157	139.5 Å²	139.5	77%	0.773	79%	0.793	S	S	*	*			trans	45.2	123.3	154.6	-60.2	-174.9	174.7	0	0	120
211	R	18.9	Very low	23.1	Very low	245 Å²	245	145.7 Å²	145.7	93%	0.925	80%	0.804	S	S	*	*				56.9	105.6	58.7	-74.4	-166.1	175	-172.4	0.2	115.6
212	S	23.8	Very low	23	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	80%	0.804	S	S	*	*			trans	-162.4	97.6	142	47.3	0	0	0	0	112.6
213	D	22.2	Very low	23.1	Very low	162 Å²	162	150 Å²	150	87%	0.866	81%	0.81	S	S	*	*			trans	54	138.4	138.1	-49.7	-37	0	0	0	123.5
214	A	21	Very low	22.8	Very low	101 Å²	101	151.1 Å²	151.1	84%	0.835	81%	0.812	S	S	*	*			trans	-82.1	148.8	176.8	0	0	0	0	0	112.8
215	I	24	Very low	22.9	Very low	175 Å²	175	151 Å²	151	90%	0.897	82%	0.816	S	S	*	*			trans	-108	125.7	164.2	-63.6	178.8	0	0	0	108.6
216	S	23.8	Very low	22.9	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	82%	0.818	S	S	*	*			trans	-85.8	148.5	-172.5	-163.3	0	0	0	0	112.3
217	P	30	Very low	22.8	Very low	121 Å²	121	151 Å²	151	79%	0.786	82%	0.824	S	S	*	*			trans	-85.4	137.7	-162	32	-35.9	0	0	0	115.5
218	S	23.6	Very low	22.4	Very low	110 Å²	110	154.1 Å²	154.1	77%	0.769	82%	0.824	S	S	*	*			trans	-98.1	94.4	177.2	49.9	0	0	0	0	113.6
219	K	22.6	Very low	22.4	Very low	199 Å²	199	157.8 Å²	157.8	87%	0.865	83%	0.83	S	S	*	*			trans	14.6	113.5	145.8	-58.9	170.1	-178	173	0	117.3
220	F	23.6	Very low	22.5	Very low	210 Å²	210	156.8 Å²	156.8	92%	0.921	83%	0.832	S	S	*	*			trans	-125.3	147.3	148.9	-98.4	-87.6	0	0	0	111.4
221	R	20.7	Very low	22.4	Very low	240 Å²	240	155.6 Å²	155.6	91%	0.906	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.7	-161.6	-79.2	173.2	162	158.8	-8.1	114
222	T	19.8	Very low	22.6	Very low	131 Å²	131	147.2 Å²	147.2	80%	0.804	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.1	133.2	152.9	-44.1	0	0	0	0	109.7
223	I	21.8	Very low	22.5	Very low	156 Å²	156	149.1 Å²	149.1	80%	0.8	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-92.9	122.4	167.3	-61.8	175.6	0	0	0	107.4
224	Q	19.4	Very low	22.7	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81	120.9	176.1	-71.7	175.5	-36.4	0	0	110.1
225	T	23.3	Very low	22.7	Very low	133 Å²	133	151.3 Å²	151.3	82%	0.816	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.1	133.1	163.4	27.5	0	0	0	0	109.7	S227	T225-S227 PolarHBondContact O-N 2.93Å
226	P	22.9	Very low	22.7	Very low	121 Å²	121	152.3 Å²	152.3	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.2	124.9	-178.1	28.3	-33.6	0	0	0	111.4	K228	P226-K228 PolarHBondContact O-N 2.83Å
227	S	21.3	Very low	22.6	Very low	119 Å²	119	156.4 Å²	156.4	83%	0.832	82%	0.816	S	S	*	*			trans	-69.5	115.9	170.6	52.5	0	0	0	0	111	T225	T225-S227 PolarHBondContact O-N 2.93Å
228	K	23.3	Very low	22.3	Very low	194 Å²	194	156.7 Å²	156.7	84%	0.843	82%	0.815	S	S	*	*			trans	-132.8	110.5	155.8	-84.5	-166.2	172.3	-175.6	0	109.9	P226	P226-K228 PolarHBondContact O-N 2.83Å
229	E	20.4	Very low	22.3	Very low	183 Å²	183	160.3 Å²	160.3	86%	0.855	82%	0.817	S	S	*	*			trans	-62	137.3	160.2	-63.1	171.6	109.2	0	0	108.9
230	V	23.9	Very low	22.4	Very low	133 Å²	133	156.8 Å²	156.8	81%	0.806	82%	0.815	S	S	*	*			trans	-124.6	96.1	163.1	179.9	0	0	0	0	106.6	G232	V230-G232 PolarHBondContact O-N 2.85Å
231	T	21.1	Very low	22.4	Very low	132 Å²	132	153 Å²	153	81%	0.81	81%	0.805	S	S	*	*			trans	-67.2	89.2	176.9	47	0	0	0	0	110.5
232	G	22.9	Very low	22.5	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	80%	0.803	S	S	*	*			trans	-98.9	84.5	177	0	0	0	0	0	112.4	V230 N234	V230-G232 PolarHBondContact O-N 2.85Å; G232-N234 PolarHBondContact O-N 2.92Å
233	N	21.3	Very low	22.7	Very low	149 Å²	149	154.7 Å²	154.7	80%	0.797	80%	0.803	S	S	*	*			trans	-62.4	121	172.1	-87.1	-37.4	0	0	0	110.9
234	N	25.6	Very low	22.8	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	80%	0.803	S	S	*	*			trans	-143.9	97.5	158.2	-108.4	-35.4	0	0	0	110.4	G232 Y236	G232-N234 PolarHBondContact O-N 2.92Å; N234-Y236 PolarHBondContact O-N 2.83Å
235	Q	21.8	Very low	23	Very low	160 Å²	160	155.7 Å²	155.7	75%	0.748	81%	0.805	S	S	*	*			trans	-79.3	100.2	177.7	-64.9	-176.5	11.6	0	0	110.5
236	Y	24.2	Very low	23.1	Very low	197 Å²	197	153.6 Å²	153.6	77%	0.773	80%	0.796	S	S	*	*			trans	-108.5	97.7	160.8	-86.4	-82.4	0	0	0	110.8	N234 T238	N234-Y236 PolarHBondContact O-N 2.83Å; Y236-T238 PolarHBondContact O-N 3.07Å; Y236-T238 VanDerWaalsContact O-N 3.17Å
237	K	21.4	Very low	23.2	Very low	195 Å²	195	152.7 Å²	152.7	85%	0.848	79%	0.792	S	S	*	*			trans	-74.7	92.5	168.9	-71.2	178.3	179.5	172.9	0	109.7
238	T	23.4	Very low	23.2	Very low	127 Å²	127	154 Å²	154	78%	0.779	79%	0.79	S	S	*	*			trans	-102.6	136.9	160.7	40	0	0	0	0	109.5	Y236	Y236-T238 PolarHBondContact O-N 3.07Å; Y236-T238 VanDerWaalsContact O-N 3.17Å
239	K	23.6	Very low	23.2	Very low	186 Å²	186	151.5 Å²	151.5	81%	0.809	79%	0.785	S	S	*	*			trans	-76.4	154.6	-179.7	-75.2	-179.5	177.7	177.6	0	110.5	D241	K239-D241 PolarHBondContact O-N 3.07Å
240	P	24.5	Very low	23.3	Very low	125 Å²	125	148.4 Å²	148.4	81%	0.812	78%	0.778	S	S	*	*			trans	-79.9	89.3	-176.6	32.1	-35.3	0	0	0	111.7	K242	P240-K242 PolarHBondContact O-N 3.14Å
241	D	24	Very low	23.2	Very low	132 Å²	132	148 Å²	148	71%	0.706	77%	0.77	S	S	*	*			trans	-69.2	123.4	170.5	-75.1	-40.7	0	0	0	111.1	K239 Y243	K239-D241 PolarHBondContact O-N 3.07Å; D241-Y243 VanDerWaalsContact C-N 3.26Å; D241-Y243 HydrophobicContact CB-CD2 4.05Å; D241-Y243 HydrophobicContact CB-CE2 4.2Å; D241-Y243 PolarHBondContact O-N 3.23Å
242	K	22.2	Very low	23.2	Very low	201 Å²	201	147.2 Å²	147.2	87%	0.874	77%	0.765	S	S	*	*			trans	-76.3	67	-177.4	-70.9	-177.5	175	179.4	0	112.4	P240	P240-K242 PolarHBondContact O-N 3.14Å
243	Y	23.8	Very low	23.2	Very low	205 Å²	205	149.5 Å²	149.5	80%	0.804	76%	0.756	S	S	*	*			trans	-89.5	112.9	163.9	-74.5	-78	0	0	0	110.2	D241 K245	D241-Y243 VanDerWaalsContact C-N 3.26Å; D241-Y243 HydrophobicContact CB-CD2 4.05Å; D241-Y243 HydrophobicContact CB-CE2 4.2Å; D241-Y243 PolarHBondContact O-N 3.23Å; Y243-K245 PolarHBondContact O-N 2.69Å
244	L	24.1	Very low	23.4	Very low	154 Å²	154	146.9 Å²	146.9	81%	0.806	76%	0.756	S	S	*	*			trans	-58.9	138.1	173	-78.5	79.5	0	0	0	109.1	S246	L244-S246 PolarHBondContact O-N 3.07Å
245	K	23.8	Very low	23.3	Very low	205 Å²	205	148.8 Å²	148.8	89%	0.891	76%	0.76	S	S	*	*			trans	-74.8	66.8	168.5	-68.5	-177.2	178.7	178.3	0	110.4	Y243 S247	Y243-K245 PolarHBondContact O-N 2.69Å; K245-S247 PolarHBondContact O-N 2.84Å; K245-S247 VanDerWaalsContact O-N 3.1Å
246	S	25.2	Very low	23.4	Very low	89 Å²	89	147 Å²	147	62%	0.622	76%	0.755	S	S	*	*			trans	-66.9	101.5	158.4	52.6	0	0	0	0	107.5	L244 N248	L244-S246 PolarHBondContact O-N 3.07Å; S246-N248 PolarHBondContact O-N 3.3Å; S246-N248 PolarHBondContact O-OD1 2.67Å
247	S	25.4	Very low	23.5	Very low	102 Å²	102	142 Å²	142	71%	0.713	75%	0.749	S	S	*	*			trans	-59.6	110.1	177.6	-60.5	0	0	0	0	109.8	K245 I249	K245-S247 PolarHBondContact O-N 2.84Å; K245-S247 VanDerWaalsContact O-N 3.1Å; S247-I249 VanDerWaalsContact C-N 3.27Å; S247-I249 PolarHBondContact O-N 2.85Å
248	N	22	Very low	23.7	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	75%	0.746	S	S	*	*			trans	-69.3	81.6	178.8	-72.4	-16.2	0	0	0	110.7	S246 V250	S246-N248 PolarHBondContact O-N 3.3Å; S246-N248 PolarHBondContact O-OD1 2.67Å; N248-V250 PolarHBondContact O-N 2.86Å; N248-V250 VanDerWaalsContact O-N 3.09Å
249	I	23.7	Very low	23.8	Very low	141 Å²	141	137.3 Å²	137.3	72%	0.723	74%	0.741	S	S	*	*			trans	-76.9	91.2	168.9	-57.4	178.2	0	0	0	107.3	S247 I251	S247-I249 VanDerWaalsContact C-N 3.27Å; S247-I249 PolarHBondContact O-N 2.85Å; I249-I251 HydrophobicContact CG2-CG1 4.02Å; I249-I251 PolarHBondContact O-N 2.74Å; I249-I251 VanDerWaalsContact O-N 3.15Å
250	V	21.2	Very low	23.9	Very low	119 Å²	119	136.5 Å²	136.5	72%	0.721	75%	0.746	S	S	*	*			trans	-73.6	101	170.2	-178.2	0	0	0	0	107.9	N248 V252	N248-V250 PolarHBondContact O-N 2.86Å; N248-V250 VanDerWaalsContact O-N 3.09Å; V250-V252 HydrophobicContact CG1-CG2 4.09Å; V250-V252 PolarHBondContact O-N 3.12Å
251	I	23.2	Very low	23.9	Very low	123 Å²	123	140.8 Å²	140.8	63%	0.631	75%	0.747	S	S	*	*			trans	-78.5	99.3	172.2	-56.7	178.5	0	0	0	107.3	I249 H253	I249-I251 HydrophobicContact CG2-CG1 4.02Å; I249-I251 PolarHBondContact O-N 2.74Å; I249-I251 VanDerWaalsContact O-N 3.15Å; I251-H253 PolarHBondContact O-N 3.03Å
252	V	20.8	Very low	24	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	75%	0.75	S	S	*	*			trans	-77	112.2	171.3	-178.1	0	0	0	0	108.2	V250	V250-V252 HydrophobicContact CG1-CG2 4.09Å; V250-V252 PolarHBondContact O-N 3.12Å
253	H	21.5	Very low	24.2	Very low	118 Å²	118	139.4 Å²	139.4	55%	0.546	75%	0.749	S	S	.	*			trans	-76.4	136.2	168.9	-77.7	-107.2	0	0	0	109.3	I251 E255 D256	I251-H253 PolarHBondContact O-N 3.03Å; H253-E255 PolarHBondContact O-N 3.4Å; H253-D256 PolarHBondContact O-N 3.44Å; H253-D256 VanDerWaalsContact O-N 3.13Å
254	A	25.7	Very low	24.2	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-4.6	-177	0	0	0	0	0	114.2
255	E	24.3	Very low	24.1	Very low	187 Å²	187	141 Å²	141	87%	0.874	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-17.4	175.7	-61.7	-178.2	171.7	0	0	112.4	H253 S257	H253-E255 PolarHBondContact O-N 3.4Å; E255-S257 PolarHBondContact O-N 3.2Å
256	D	24	Very low	24.3	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	74%	0.74	S	S	*	*	S	Bend	trans	-83.6	-4.9	-178.1	-70	-43.6	0	0	0	113.9	H253 T258	H253-D256 PolarHBondContact O-N 3.44Å; H253-D256 VanDerWaalsContact O-N 3.13Å; D256-T258 PolarHBondContact O-N 2.87Å; D256-T258 VanDerWaalsContact O-N 3.09Å
257	S	26.2	Very low	24.2	Very low	93 Å²	93	142.5 Å²	142.5	65%	0.65	75%	0.753	S	S	*	*			trans	-83.4	80.8	178.6	61.6	0	0	0	0	111.9	E255 S259	E255-S257 PolarHBondContact O-N 3.2Å; S257-S259 PolarHBondContact O-N 3.01Å; S257-S259 VanDerWaalsContact O-N 3.13Å
258	T	24.8	Very low	24.2	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	76%	0.756	S	S	*	*			trans	-64.1	110.3	177	54.2	0	0	0	0	112.3	D256	D256-T258 PolarHBondContact O-N 2.87Å; D256-T258 VanDerWaalsContact O-N 3.09Å
259	S	25.9	Very low	24.4	Very low	99 Å²	99	145.2 Å²	145.2	69%	0.692	76%	0.756	S	S	*	*	S	Bend	trans	34.5	91.5	150.6	62	0	0	0	0	117.9	S257	S257-S259 PolarHBondContact O-N 3.01Å; S257-S259 VanDerWaalsContact O-N 3.13Å
260	N	24.9	Very low	24.6	Very low	169 Å²	169	146.7 Å²	146.7	90%	0.904	76%	0.76	S	S	*	*			trans	-157.5	82.6	136.6	-99.9	-13.8	0	0	0	109.4
261	Y	25.1	Very low	24.9	Very low	215 Å²	215	144.9 Å²	144.9	84%	0.843	75%	0.752	S	S	*	*			trans	-71.7	161.9	156	-99.9	-101.8	0	0	0	109.2
262	N	27	Very low	25.1	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	76%	0.755	S	S	*	*			trans	68.2	79.4	177.6	-50.7	-18	0	0	0	114.5
263	D	25	Very low	25.3	Very low	159 Å²	159	147.2 Å²	147.2	85%	0.85	76%	0.758	S	S	*	*				-165.8	174.7	121.1	-109.4	-27.6	0	0	0	112.4
264	I	24.4	Very low	25.6	Very low	152 Å²	152	149.4 Å²	149.4	78%	0.779	77%	0.769	S	S	*	*			trans	67.9	52.9	173.6	-32.9	-178.3	0	0	0	115.4
265	Y	22.1	Very low	25.7	Very low	242 Å²	242	148.7 Å²	148.7	95%	0.949	76%	0.758	S	S	*	*			trans	-96.3	105.7	143.1	-96.7	-87.3	0	0	0	109.7
266	P	28.1	Very low	25.7	Very low	90 Å²	90	149.7 Å²	149.7	58%	0.584	76%	0.755	S	S	*	*			trans	-139.2	128	150.8	34.2	-18.6	0	0	0	114.9
267	R	23.8	Very low	25.8	Very low	235 Å²	235	152.5 Å²	152.5	89%	0.887	76%	0.761	S	S	*	*			trans	31.5	95.9	144	-55.4	-176.8	-175.1	-158.3	1.8	117.7
268	F	24.4	Very low	25.8	Very low	179 Å²	179	154.6 Å²	154.6	79%	0.785	77%	0.765	S	S	*	*			trans	-140.5	44.5	162.2	-116.2	-79.7	0	0	0	113.8
269	T	26.6	Very low	25.8	Very low	127 Å²	127	157.1 Å²	157.1	78%	0.779	77%	0.768	S	S	*	*	S	Bend	trans	-98.1	-15.7	-175.7	-13.5	0	0	0	0	115
270	E	27.8	Very low	25.6	Very low	172 Å²	172	159.7 Å²	159.7	80%	0.804	77%	0.774	S	S	*	*	S	Bend	trans	-106.1	-32.6	-169.8	-66	179.2	133.4	0	0	114.2	L272	E270-L272 PolarHBondContact O-N 2.87Å
271	S	28.1	Very low	25.6	Very low	80 Å²	80	158.5 Å²	158.5	56%	0.559	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-65.2	-33.8	-175.6	-177.1	0	0	0	0	113.7	M273 H274	S271-M273 VanDerWaalsContact C-N 3.28Å; S271-M273 PolarHBondContact O-N 3.42Å; S271-H274 PolarHBondContact O-N 2.78Å
272	L	26.1	Very low	25.4	Very low	133 Å²	133	152.1 Å²	152.1	70%	0.696	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-72	-16.9	-172.2	-145.2	81.8	0	0	0	114.4	E270	E270-L272 PolarHBondContact O-N 2.87Å
273	M	25.7	Very low	25.5	Very low	155 Å²	155	152.9 Å²	152.9	76%	0.764	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-79.9	-18.3	-178.9	-73.5	-116.6	62.4	0	0	113.6	S271	S271-M273 VanDerWaalsContact C-N 3.28Å; S271-M273 PolarHBondContact O-N 3.42Å
274	H	28.5	Very low	25.6	Very low	165 Å²	165	150.5 Å²	150.5	76%	0.764	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-18.1	-174	-88.2	-68.5	0	0	0	115.6	S271	S271-H274 PolarHBondContact O-N 2.78Å
275	S	26.6	Very low	26	Very low	80 Å²	80	148.7 Å²	148.7	56%	0.559	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-24	-178.5	58.3	0	0	0	0	114.7	K277	S275-K277 PolarHBondContact O-N 3.18Å
276	Y	25.5	Very low	26.2	Very low	208 Å²	208	146.1 Å²	146.1	82%	0.816	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	9.5	-178.4	-85	-78.4	0	0	0	115.3
277	K	26.5	Very low	25.9	Very low	181 Å²	181	150.1 Å²	150.1	79%	0.787	77%	0.772	S	S	*	*	S	Bend	trans	-129.6	72.8	164.9	-77.1	-172	175.4	-178.4	0	110.6	S275	S275-K277 PolarHBondContact O-N 3.18Å
278	N	24.4	Very low	26	Very low	136 Å²	136	146 Å²	146	73%	0.727	77%	0.767	S	S	*	*	S	Bend		179.2	153	125.2	-90.3	-17.6	0	0	0	113.9
279	H	25.5	Very low	26.1	Very low	178 Å²	178	144.3 Å²	144.3	82%	0.824	77%	0.767	S	S	*	*			trans	64.3	119	162.1	-63.7	-56.4	0	0	0	122.1
280	N	21.8	Very low	26	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	77%	0.768	S	S	*	*			trans	-55.6	-179.3	151.4	-64.3	-37.2	0	0	0	113.5
281	V	23.9	Very low	25.9	Very low	145 Å²	145	149.9 Å²	149.9	88%	0.879	77%	0.771	S	S	*	*			trans	100.7	135.6	160.8	-171.6	0	0	0	0	113.5
282	A	22.5	Very low	25.9	Very low	80 Å²	80	154 Å²	154	66%	0.661	78%	0.782	S	S	*	*			trans	-74	141.8	-179.3	0	0	0	0	0	111.1
283	D	27.6	Very low	25.8	Very low	161 Å²	161	154.2 Å²	154.2	86%	0.861	78%	0.782	S	S	*	*				-157.6	170.1	107.5	-106.2	-36.3	0	0	0	111.4
284	S	27.3	Very low	25.7	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	78%	0.781	S	S	*	*			trans	-96.6	-177.8	-178.9	-46.2	0	0	0	0	110.9
285	P	33.8	Very low	25.4	Very low	113 Å²	113	152.1 Å²	152.1	73%	0.734	77%	0.774	S	S	*	*			cis	-130.4	173.9	-17.5	38.7	-23.4	0	0	0	113.4
286	Q	25.7	Very low	25.3	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	78%	0.778	S	S	*	*				176.5	129.4	117.6	-96.4	-172	13.4	0	0	111.4
287	M	22.4	Very low	25.3	Very low	174 Å²	174	152.6 Å²	152.6	86%	0.857	78%	0.775	S	S	*	*			trans	-78.3	122.9	170	-79.5	-176.7	156.5	0	0	110.4
288	N	25.7	Very low	25.1	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	77%	0.773	S	S	*	*			trans	-117.6	104.8	165.1	-153.2	-21.3	0	0	0	109.3	R290	N288-R290 VanDerWaalsContact C-N 3.29Å; N288-R290 PolarHBondContact O-N 2.11Å
289	N	25.4	Very low	25.2	Very low	145 Å²	145	150.2 Å²	150.2	78%	0.775	78%	0.775	S	S	*	*			trans	-77.6	69.2	-166.8	-84.2	-38.5	0	0	0	113.2
290	R	25.9	Very low	25.4	Very low	212 Å²	212	146 Å²	146	80%	0.8	76%	0.763	S	S	*	*			trans	-115.5	97.2	162.3	-72.9	-172.9	175.6	-178.8	-1	109.7	N288 H292	N288-R290 VanDerWaalsContact C-N 3.29Å; N288-R290 PolarHBondContact O-N 2.11Å; R290-H292 VanDerWaalsContact C-N 3.3Å; R290-H292 PolarHBondContact O-N 3.3Å
291	K	25.9	Very low	26.3	Very low	203 Å²	203	143.1 Å²	143.1	88%	0.883	76%	0.755	S	S	*	*			trans	-65.4	91.2	165.8	-73.4	-170	175.7	-170.9	0	108.8	I293	K291-I293 PolarHBondContact O-N 3Å
292	H	27.3	Very low	26.6	Very low	168 Å²	168	143.7 Å²	143.7	78%	0.778	75%	0.746	S	S	*	*			trans	-62.3	108.7	161	-93.9	-85.9	0	0	0	107.7	R290 Q294	R290-H292 VanDerWaalsContact C-N 3.3Å; R290-H292 PolarHBondContact O-N 3.3Å; H292-Q294 PolarHBondContact O-N 3.17Å
293	I	24	Very low	27.2	Very low	137 Å²	137	145.2 Å²	145.2	70%	0.703	74%	0.742	S	S	*	*			trans	-71.2	86.2	167	-58.6	175.8	0	0	0	106	K291 L295	K291-I293 PolarHBondContact O-N 3Å; I293-L295 PolarHBondContact O-N 3.32Å; I293-L295 VanDerWaalsContact O-N 3.11Å
294	Q	22.9	Very low	27.3	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	74%	0.736	S	S	*	*			trans	-76.9	98.1	176.4	-162.9	175	30.4	0	0	107.1	H292 V296	H292-Q294 PolarHBondContact O-N 3.17Å; Q294-V296 HydrophobicContact CB-CG2 4.28Å; Q294-V296 HydrophobicContact CG-CG2 3.83Å; Q294-V296 PolarHBondContact O-N 2.89Å
295	L	23.8	Very low	27.5	Very low	116 Å²	116	150.6 Å²	150.6	61%	0.607	73%	0.734	S	S	*	*			trans	-65.5	76.5	172.7	-84	163.5	0	0	0	110	I293 Y297	I293-L295 PolarHBondContact O-N 3.32Å; I293-L295 VanDerWaalsContact O-N 3.11Å; L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4.34Å; L295-Y297 PolarHBondContact O-N 2.87Å
296	V	23.1	Very low	27.5	Very low	107 Å²	107	148.9 Å²	148.9	65%	0.648	72%	0.718	S	S	*	*			trans	-75.1	77	173.1	-174.4	0	0	0	0	107.9	Q294 A298	Q294-V296 HydrophobicContact CB-CG2 4.28Å; Q294-V296 HydrophobicContact CG-CG2 3.83Å; Q294-V296 PolarHBondContact O-N 2.89Å; V296-A298 PolarHBondContact O-N 2.91Å
297	Y	25.3	Very low	28.1	Very low	190 Å²	190	145.9 Å²	145.9	75%	0.745	71%	0.707	S	S	*	*			trans	-51.9	111.5	154.7	-72.5	-81.9	0	0	0	107.4	L295 K299	L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4.34Å; L295-Y297 PolarHBondContact O-N 2.87Å; Y297-K299 PolarHBondContact O-N 2.84Å
298	A	23.4	Very low	28.5	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	70%	0.704	S	S	*	*			trans	-68.8	76.6	179.7	0	0	0	0	0	110.2	V296 P300	V296-A298 PolarHBondContact O-N 2.91Å; A298-P300 VanDerWaalsContact O-CD 3.28Å; A298-P300 WeakPolarHBondContact O-CD 3.45Å; A298-P300 VanDerWaalsContact O-N 3.12Å
299	K	26.2	Very low	28.8	Very low	177 Å²	177	141 Å²	141	77%	0.77	69%	0.689	S	S	*	*			trans	-54.8	117.8	172.6	-74.5	-175.2	177.6	178.3	0	107.4	Y297 S301	Y297-K299 PolarHBondContact O-N 2.84Å; K299-S301 PolarHBondContact O-N 3.45Å
300	P	30.5	Very low	29.1	Very low	89 Å²	89	140.3 Å²	140.3	58%	0.578	68%	0.681	S	S	*	*			trans	-73.4	81.5	-175.5	29	-34.7	0	0	0	110	A298 K302	A298-P300 VanDerWaalsContact O-CD 3.28Å; A298-P300 WeakPolarHBondContact O-CD 3.45Å; A298-P300 VanDerWaalsContact O-N 3.12Å; P300-K302 PolarHBondContact O-N 2.82Å
301	S	39.5	Very low	29.4	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-4	-162.5	57	0	0	0	0	115.2	K299	K299-S301 PolarHBondContact O-N 3.45Å
302	K	30.7	Very low	30.1	Very low	156 Å²	156	134.9 Å²	134.9	68%	0.678	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-61.6	172.7	-71.5	-167.7	173.3	-173.9	0	112.3	P300 R304 R305 D306	P300-K302 PolarHBondContact O-N 2.82Å; K302-R304 VanDerWaalsContact C-N 3.3Å; K302-R304 PolarHBondContact O-N 3.07Å; K302-R305 WeakPolarHBondContact O-CA 3.44Å; K302-R305 WeakPolarHBondContact O-CB 3.24Å; K302-R305 PolarHBondContact O-N 2.85Å; K302-D306 WeakPolarHBondContact CB-OD2 3.4Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.88Å
303	L	34	Very low	30.5	Very low	112 Å²	112	134.1 Å²	134.1	59%	0.586	68%	0.679	S	S	*	*	H	α-helix	trans	-41.6	-47.3	-178.2	-85.3	162.4	0	0	0	115.2	R305 I307	L303-R305 VanDerWaalsContact C-N 3.31Å; L303-R305 PolarHBondContact O-N 2.85Å; L303-I307 HydrophobicContact CD2-CD1 4.26Å; L303-I307 WeakPolarHBondContact O-CB 3.38Å; L303-I307 WeakPolarHBondContact O-CD1 3.29Å; L303-I307 VanDerWaalsContact O-CG1 3.22Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 2.8Å; L303-I307 VanDerWaalsContact O-N 3.09Å
304	R	31.4	Very low	30.8	Very low	196 Å²	196	135.2 Å²	135.2	74%	0.74	68%	0.682	S	S	*	*	H	α-helix	trans	-72.1	-22.5	-178.9	-164.5	172.2	-174.8	167	2.8	113.8	K302	K302-R304 VanDerWaalsContact C-N 3.3Å; K302-R304 PolarHBondContact O-N 3.07Å
305	R	31.4	Very low	31	Very low	187 Å²	187	137.3 Å²	137.3	71%	0.706	69%	0.688	S	S	*	*	H	α-helix	trans	-84.6	-46	174.1	-163.9	-177.1	-61.5	-179.3	1.6	110.5	K302 L303 I307 M308 A309	K302-R305 WeakPolarHBondContact O-CA 3.44Å; K302-R305 WeakPolarHBondContact O-CB 3.24Å; K302-R305 PolarHBondContact O-N 2.85Å; L303-R305 VanDerWaalsContact C-N 3.31Å; L303-R305 PolarHBondContact O-N 2.85Å; R305-I307 PolarHBondContact O-N 2.81Å; R305-M308 CarbonylContact O-C 3.52Å; R305-M308 PolarHBondContact O-N 2.89Å; R305-M308 VanDerWaalsContact O-N 3.1Å; R305-A309 VanDerWaalsContact O-CB 3.23Å; R305-A309 WeakPolarHBondContact O-CB 3.4Å; R305-A309 PolarHBondContact O-N 2.76Å
306	D	32.4	Very low	31.2	Very low	77 Å²	77	137.5 Å²	137.5	41%	0.412	69%	0.694	S	S	.	*	H	α-helix	trans	-63	-44.6	-177	-51.1	-28.8	0	0	0	111	K302 M308 A309 H310	K302-D306 WeakPolarHBondContact CB-OD2 3.4Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.88Å; D306-M308 PolarHBondContact O-N 3.12Å; D306-A309 PolarHBondContact O-N 2.8Å; D306-H310 PolarHBondContact O-CD2 3.42Å; D306-H310 VanDerWaalsContact O-CD2 3.26Å
307	I	38.2	Very low	31.3	Very low	126 Å²	126	137.1 Å²	137.1	65%	0.646	70%	0.696	S	S	*	*	H	α-helix	trans	-62.7	-25.8	176	-68	168.4	0	0	0	112.8	L303 R305	L303-I307 HydrophobicContact CD2-CD1 4.26Å; L303-I307 WeakPolarHBondContact O-CB 3.38Å; L303-I307 WeakPolarHBondContact O-CD1 3.29Å; L303-I307 VanDerWaalsContact O-CG1 3.22Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 2.8Å; L303-I307 VanDerWaalsContact O-N 3.09Å; R305-I307 PolarHBondContact O-N 2.81Å
308	M	31.6	Very low	31.4	Very low	159 Å²	159	133.6 Å²	133.6	78%	0.783	70%	0.697	S	S	*	*	H	α-helix	trans	-98.2	-10.5	177.8	-73.7	-174.8	155.7	0	0	113.9	R305 D306	R305-M308 CarbonylContact O-C 3.52Å; R305-M308 PolarHBondContact O-N 2.89Å; R305-M308 VanDerWaalsContact O-N 3.1Å; D306-M308 PolarHBondContact O-N 3.12Å
309	A	31.7	Very low	31.6	Very low	59 Å²	59	135 Å²	135	49%	0.488	70%	0.696	S	S	.	*	H	α-helix	trans	-95.6	-9	-177.2	0	0	0	0	0	113.8	R305 D306 N311	R305-A309 VanDerWaalsContact O-CB 3.23Å; R305-A309 WeakPolarHBondContact O-CB 3.4Å; R305-A309 PolarHBondContact O-N 2.76Å; D306-A309 PolarHBondContact O-N 2.8Å; A309-N311 PolarHBondContact O-N 3.47Å
310	H	32.7	Very low	31.5	Very low	132 Å²	132	136.5 Å²	136.5	61%	0.611	70%	0.702	S	S	*	*			trans	-70	77	173.8	-77.4	-59.1	0	0	0	112.2	D306	D306-H310 PolarHBondContact O-CD2 3.42Å; D306-H310 VanDerWaalsContact O-CD2 3.26Å
311	N	32.3	Very low	31.3	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	71%	0.709	S	S	*	*			trans	-61	136.7	159.7	-72.3	-59.9	0	0	0	109.4	A309 N313	A309-N311 PolarHBondContact O-N 3.47Å; N311-N313 PolarHBondContact O-N 3.19Å
312	N	40.3	Very low	30.7	Very low	163 Å²	163	139 Å²	139	87%	0.872	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	15.9	-164.1	-71.4	-31.1	0	0	0	117.7
313	N	34.7	Very low	30.6	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	-5.8	-169.9	-77.5	-27	0	0	0	116	N311 K315	N311-N313 PolarHBondContact O-N 3.19Å; N313-K315 PolarHBondContact O-N 3.04Å; N313-K315 VanDerWaalsContact O-N 3.1Å
314	E	30.2	Very low	30.1	Very low	161 Å²	161	136.7 Å²	136.7	75%	0.752	71%	0.712	S	S	*	*			trans	-73.8	104	166.6	-74.4	-160.6	146.2	0	0	109.9	V316	E314-V316 VanDerWaalsContact C-N 3.27Å; E314-V316 PolarHBondContact O-N 3.46Å
315	K	26.6	Very low	30	Very low	203 Å²	203	132 Å²	132	88%	0.883	71%	0.707	S	S	*	*			trans	-62.3	92.2	163.9	-74	180	177.2	176.1	0	108.3	N313 S317	N313-K315 PolarHBondContact O-N 3.04Å; N313-K315 VanDerWaalsContact O-N 3.1Å; K315-S317 PolarHBondContact O-N 2.81Å
316	V	29.4	Very low	29.8	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	71%	0.705	S	S	*	*			trans	-54.9	104.4	167.2	179	0	0	0	0	107	E314 P318	E314-V316 VanDerWaalsContact C-N 3.27Å; E314-V316 PolarHBondContact O-N 3.46Å; V316-P318 WeakPolarHBondContact O-CD 3.44Å
317	S	25.4	Very low	29.5	Very low	99 Å²	99	129.9 Å²	129.9	69%	0.692	72%	0.718	S	S	*	*			trans	-59.3	120.9	170.8	41.9	0	0	0	0	106.4	K315 V319	K315-S317 PolarHBondContact O-N 2.81Å; S317-V319 PolarHBondContact O-N 3.36Å
318	P	26.9	Very low	29.1	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	72%	0.722	S	S	*	*			trans	-64.7	108.1	-171.6	23.6	-32.7	0	0	0	108.5	V316 K320	V316-P318 WeakPolarHBondContact O-CD 3.44Å; P318-K320 PolarHBondContact O-N 2.83Å; P318-K320 VanDerWaalsContact O-N 3.13Å
319	V	28.2	Very low	28.8	Very low	120 Å²	120	127.8 Å²	127.8	73%	0.727	72%	0.716	S	S	*	*			trans	-48.5	123.7	159.9	175.6	0	0	0	0	105.4	S317 M321	S317-V319 PolarHBondContact O-N 3.36Å; V319-M321 HydrophobicContact CG1-CG 4.43Å; V319-M321 PolarHBondContact O-N 2.93Å
320	K	23.9	Very low	28.6	Very low	208 Å²	208	128.9 Å²	128.9	90%	0.904	73%	0.726	S	S	*	*			trans	-69	73.7	175.2	-75.5	-173.6	175.5	-178.4	0	109.1	P318 S322	P318-K320 PolarHBondContact O-N 2.83Å; P318-K320 VanDerWaalsContact O-N 3.13Å; K320-S322 PolarHBondContact O-N 3.25Å
321	M	26.1	Very low	28.4	Very low	149 Å²	149	126.7 Å²	126.7	73%	0.734	72%	0.723	S	S	*	*			trans	-57.9	123.2	159.8	-61.2	-140.9	-60.8	0	0	106.2	V319 N323	V319-M321 HydrophobicContact CG1-CG 4.43Å; V319-M321 PolarHBondContact O-N 2.93Å; M321-N323 PolarHBondContact O-N 2.71Å
322	S	26.5	Very low	28.2	Very low	86 Å²	86	127.3 Å²	127.3	60%	0.601	73%	0.732	S	S	*	*			trans	-64.5	107.3	170.2	49.9	0	0	0	0	107.4	K320 A324	K320-S322 PolarHBondContact O-N 3.25Å; S322-A324 CarbonylContact O-C 3.54Å; S322-A324 PolarHBondContact O-N 3.05Å; S322-A324 VanDerWaalsContact O-N 3.12Å
323	N	28.9	Very low	27.5	Very low	153 Å²	153	121.3 Å²	121.3	82%	0.818	71%	0.709	S	S	*	*	S	Bend	trans	-69.8	1.1	173.5	-76.4	0.2	0	0	0	112.9	M321 P325	M321-N323 PolarHBondContact O-N 2.71Å; N323-P325 WeakPolarHBondContact O-CD 3.13Å
324	A	24.3	Very low	27.3	Very low	66 Å²	66	120.5 Å²	120.5	55%	0.545	71%	0.709	S	S	.	*	S	Bend	trans	-68	118.3	155.1	0	0	0	0	0	108.1	S322 V326	S322-A324 CarbonylContact O-C 3.54Å; S322-A324 PolarHBondContact O-N 3.05Å; S322-A324 VanDerWaalsContact O-N 3.12Å; A324-V326 PolarHBondContact O-N 3.31Å
325	P	28.1	Very low	27.4	Very low	97 Å²	97	123 Å²	123	63%	0.63	72%	0.718	S	S	*	*			trans	-56	142.3	165.6	26.9	-33.8	0	0	0	108	N323 T327	N323-P325 WeakPolarHBondContact O-CD 3.13Å; P325-T327 HydrophobicContact CG-CG2 4.44Å; P325-T327 PolarHBondContact O-N 2.9Å; P325-T327 PolarHBondContact O-OG1 2.97Å
326	V	27.7	Very low	27.7	Very low	111 Å²	111	117 Å²	117	67%	0.673	70%	0.699	S	S	*	*			trans	-78.2	55.8	171.4	-166	0	0	0	0	109.3	A324 H328	A324-V326 PolarHBondContact O-N 3.31Å; V326-H328 PolarHBondContact O-N 3.16Å
327	T	25.3	Very low	28	Very low	110 Å²	110	118 Å²	118	68%	0.675	71%	0.705	S	S	*	*			trans	-62.3	84.6	145.4	48.3	0	0	0	0	106.7	P325 A329	P325-T327 HydrophobicContact CG-CG2 4.44Å; P325-T327 PolarHBondContact O-N 2.9Å; P325-T327 PolarHBondContact O-OG1 2.97Å; T327-A329 VanDerWaalsContact C-N 3.27Å; T327-A329 PolarHBondContact O-N 3.1Å
328	H	31.4	Very low	28.7	Very low	160 Å²	160	119 Å²	119	74%	0.741	69%	0.694	S	S	*	*			trans	-51.4	108.1	143.1	-75.6	-66.3	0	0	0	105.1	V326 A330	V326-H328 PolarHBondContact O-N 3.16Å; H328-A330 PolarHBondContact O-N 3Å
329	A	24.7	Very low	29.6	Very low	80 Å²	80	117.8 Å²	117.8	66%	0.661	69%	0.689	S	S	*	*			trans	-55.7	127.7	-178.3	0	0	0	0	0	107.9	T327 P331	T327-A329 VanDerWaalsContact C-N 3.27Å; T327-A329 PolarHBondContact O-N 3.1Å; A329-P331 VanDerWaalsContact O-CD 3.27Å; A329-P331 WeakPolarHBondContact O-CD 3.18Å
330	A	27.8	Very low	30.7	Very low	83 Å²	83	113 Å²	113	69%	0.686	66%	0.658	S	S	*	*			trans	-54.2	114.7	169.2	0	0	0	0	0	106.3	H328 T332	H328-A330 PolarHBondContact O-N 3Å; A330-T332 PolarHBondContact O-N 3.18Å
331	P	28.6	Very low	32.2	Very low	86 Å²	86	107.1 Å²	107.1	56%	0.558	64%	0.637	S	S	*	*			trans	-68	108.3	-160	20.2	-29.3	0	0	0	110	A329 G333 Y338	A329-P331 VanDerWaalsContact O-CD 3.27Å; A329-P331 WeakPolarHBondContact O-CD 3.18Å; P331-G333 PolarHBondContact O-N 2.7Å; P331-Y338 WeakPolarHBondContact CG-OH 3.36Å
332	T	27.2	Very low	33.7	Very low	150 Å²	150	104.6 Å²	104.6	92%	0.92	63%	0.626	S	S	*	*			trans	-73.8	70.6	179.9	48.5	0	0	0	0	110.1	A330	A330-T332 PolarHBondContact O-N 3.18Å
333	G	26.8	Very low	35.6	Very low	38 Å²	38	101.7 Å²	101.7	39%	0.392	60%	0.603	S	S	.	*	S	Bend	trans	-168.3	110.5	-176	0	0	0	0	0	113.8	P331	P331-G333 PolarHBondContact O-N 2.7Å
334	T	30.2	Very low	37.9	Very low	133 Å²	133	94.4 Å²	94.4	82%	0.816	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	43	82.7	143.1	57.5	0	0	0	0	118.4	T336	T334-T336 VanDerWaalsContact C-N 3.3Å; T334-T336 PolarHBondContact O-N 2.89Å
335	K	32.4	Very low	39.7	Very low	213 Å²	213	94.3 Å²	94.3	93%	0.926	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	36.9	44.9	150.7	-68.6	-173.1	174.3	179.7	0	117.2	T337	K335-T337 PolarHBondContact O-N 3.24Å
336	T	31.7	Very low	41.1	Very low	79 Å²	79	91.3 Å²	91.3	49%	0.485	53%	0.532	S	S	.	.			trans	-76.9	108.9	171.3	40.2	0	0	0	0	109.4	T334 Y338	T334-T336 VanDerWaalsContact C-N 3.3Å; T334-T336 PolarHBondContact O-N 2.89Å; T336-Y338 VanDerWaalsContact O-CD2 3.29Å; T336-Y338 WeakPolarHBondContact O-CD2 3.43Å; T336-Y338 PolarHBondContact O-N 3.16Å; T336-Y338 PolarHBondContact OG1-OH 3.47Å
337	T	35.5	Very low	42.2	Very low	140 Å²	140	95 Å²	95	86%	0.859	54%	0.539	S	S	*	.			trans	-69.8	94.6	178	-38.4	0	0	0	0	109.6	K335 S339	K335-T337 PolarHBondContact O-N 3.24Å; T337-S339 PolarHBondContact O-N 2.87Å
338	Y	40.8	Very low	43.3	Very low	119 Å²	119	97 Å²	97	47%	0.467	54%	0.538	S	S	.	.			trans	-69.5	93.8	-179	-67.6	-73.6	0	0	0	111.9	P331 T336 F340	P331-Y338 WeakPolarHBondContact CG-OH 3.36Å; T336-Y338 VanDerWaalsContact O-CD2 3.29Å; T336-Y338 WeakPolarHBondContact O-CD2 3.43Å; T336-Y338 PolarHBondContact O-N 3.16Å; T336-Y338 PolarHBondContact OG1-OH 3.47Å; Y338-F340 VanDerWaalsContact C-N 3.35Å; Y338-F340 VanDerWaalsContact CB-CE2 3.43Å; Y338-F340 HydrophobicContact CD1-CZ 4.32Å; Y338-F340 HydrophobicContact CG-CE2 4.14Å; Y338-F340 HydrophobicContact CG-CZ 4.08Å; Y338-F340 PolarHBondContact O-N 2.89Å
339	S	45.7	Very low	44.1	Very low	93 Å²	93	90.5 Å²	90.5	65%	0.65	51%	0.511	S	S	*	.			trans	-76.5	84.4	168.6	60.3	0	0	0	0	110.4	T337 N341	T337-S339 PolarHBondContact O-N 2.87Å; S339-N341 PolarHBondContact O-N 2.9Å
340	F	52.2	Low	45.4	Very low	18 Å²	18	90.7 Å²	90.7	8%	0.079	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	76	173	-65.9	-71.5	0	0	0	111.1	Y338 M448 P449 I479 V482 Q483	Y338-F340 VanDerWaalsContact C-N 3.35Å; Y338-F340 VanDerWaalsContact CB-CE2 3.43Å; Y338-F340 HydrophobicContact CD1-CZ 4.32Å; Y338-F340 HydrophobicContact CG-CE2 4.14Å; Y338-F340 HydrophobicContact CG-CZ 4.08Å; Y338-F340 PolarHBondContact O-N 2.89Å; F340-M448 HydrophobicContact CE1-CE 3.71Å; F340-M448 HydrophobicContact CE1-SD 4.33Å; F340-M448 HydrophobicContact CZ-CE 4.06Å; F340-M448 HydrophobicContact CZ-SD 4.22Å; F340-P449 HydrophobicContact CD1-CG 4.03Å; F340-P449 HydrophobicContact CD2-CG 4.46Å; F340-P449 HydrophobicContact CE1-CG 4.32Å; F340-P449 HydrophobicContact CG-CG 4.11Å; F340-I479 HydrophobicContact CE2-CB 4.39Å; F340-I479 HydrophobicContact CE2-CG2 3.76Å; F340-I479 HydrophobicContact CZ-CG2 4.23Å; F340-V482 HydrophobicContact CB-CB 4.37Å; F340-V482 HydrophobicContact CB-CG1 4.13Å; F340-V482 HydrophobicContact CB-CG2 4.06Å; F340-V482 WeakPolarHBondContact O-CG1 3.28Å; F340-Q483 PolarHBondContact O-N 3.22Å
341	N	54.4	Low	46.5	Very low	86 Å²	86	91.3 Å²	91.3	46%	0.46	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	150.3	172.1	-59.5	6.2	0	0	0	110	S339 H343	S339-N341 PolarHBondContact O-N 2.9Å; N341-H343 PolarHBondContact O-CE1 2.96Å; N341-H343 VanDerWaalsContact O-CE1 3.24Å; N341-H343 PolarHBondContact O-N 3.03Å; N341-H343 PolarHBondContact O-ND1 2.98Å
342	D	58.2	Low	47.6	Very low	95 Å²	95	92.1 Å²	92.1	51%	0.508	50%	0.499	S	S	.	.	S	Bend	trans	58.8	38.2	167.5	-60.1	-20.8	0	0	0	116	I345 Q483 A485	D342-I345 HydrophobicContact CB-CD1 3.71Å; D342-I345 WeakPolarHBondContact O-CD1 3.4Å; D342-Q483 PolarHBondContact N-O 3.33Å; D342-A485 WeakPolarHBondContact OD1-CB 3.42Å
343	H	66.6	Low	48.4	Very low	25 Å²	25	92.7 Å²	92.7	12%	0.116	49%	0.492	C	S	.	.			trans	-102.5	164.7	170.8	-67	73.8	0	0	0	111.6	N341 I345 P449 V482 H489	N341-H343 PolarHBondContact O-CE1 2.96Å; N341-H343 VanDerWaalsContact O-CE1 3.24Å; N341-H343 PolarHBondContact O-N 3.03Å; N341-H343 PolarHBondContact O-ND1 2.98Å; H343-I345 PolarHBondContact O-N 3.15Å; H343-I345 VanDerWaalsContact O-N 3.17Å; H343-P449 HydrophobicContact CB-CB 3.76Å; H343-P449 PolarHBondContact CD2-O 3.14Å; H343-P449 VanDerWaalsContact CD2-O 3.23Å; H343-V482 HydrophobicContact CB-CG1 4.26Å; H343-H489 PolarHBondContact O-CE1 2.91Å; H343-H489 PolarHBondContact O-ND1 3.3Å; H343-H489 PolarHBondContact O-NE2 2.77Å
344	F	76.4	Confident	49.4	Very low	0 Å²	0	92.3 Å²	92.3	0%	0	48%	0.48	C	S	.	.	S	Bend	trans	60.3	14	-174.8	-55.8	-72.4	0	0	0	115.8	L438 P449 I450 F478 V482 L484 H489 A490 I491	F344-L438 HydrophobicContact CE2-CD1 3.83Å; F344-L438 HydrophobicContact CZ-CD1 4.13Å; F344-P449 HydrophobicContact CE2-CB 3.84Å; F344-P449 HydrophobicContact CE2-CG 4.48Å; F344-P449 HydrophobicContact CZ-CB 3.93Å; F344-I450 HydrophobicContact CD1-CD1 4.35Å; F344-I450 HydrophobicContact CD1-CG1 3.65Å; F344-I450 HydrophobicContact CE1-CG1 3.73Å; F344-I450 PolarHBondContact N-O 3.44Å; F344-F478 HydrophobicContact CE1-CD1 4.29Å; F344-F478 HydrophobicContact CE1-CD2 4.01Å; F344-F478 HydrophobicContact CE1-CE1 4.11Å; F344-F478 AromaticContact CE1-CE2 3.82Å; F344-F478 HydrophobicContact CE1-CE2 3.82Å; F344-F478 HydrophobicContact CE1-CG 4.24Å; F344-F478 AromaticContact CE1-CZ 3.87Å; F344-F478 HydrophobicContact CE1-CZ 3.87Å; F344-F478 HydrophobicContact CZ-CB 4.22Å; F344-F478 AromaticContact CZ-CD1 4Å; F344-F478 HydrophobicContact CZ-CD1 4Å; F344-F478 AromaticContact CZ-CD2 3.83Å; F344-F478 HydrophobicContact CZ-CD2 3.83Å; F344-F478 HydrophobicContact CZ-CE1 4.29Å; F344-F478 HydrophobicContact CZ-CE2 4.14Å; F344-F478 AromaticContact CZ-CG 3.76Å; F344-F478 HydrophobicContact CZ-CG 3.76Å; F344-F478 HydrophobicContact CZ-CZ 4.36Å; F344-V482 HydrophobicContact CD2-CG1 4.29Å; F344-V482 HydrophobicContact CE2-CG1 4.27Å; F344-V482 HydrophobicContact CE2-CG2 4.32Å; F344-L484 HydrophobicContact CD2-CD2 4.34Å; F344-H489 VanDerWaalsContact CA-CE1 3.42Å; F344-H489 WeakPolarHBondContact CA-CE1 3.26Å; F344-H489 HydrophobicContact CB-CB 4.25Å; F344-H489 WeakPolarHBondContact CB-CE1 3.28Å; F344-H489 CarbonylContact O-C 3.59Å; F344-H489 VanDerWaalsContact O-CA 3.27Å; F344-H489 WeakPolarHBondContact O-CA 3.16Å; F344-H489 PolarHBondContact O-CE1 3.05Å; F344-H489 VanDerWaalsContact O-CE1 3.3Å; F344-A490 WeakPolarHBondContact CB-O 3.45Å; F344-A490 WeakPolarHBondContact CD1-O 3.44Å; F344-A490 PolarHBondContact O-N 2.82Å; F344-I491 HydrophobicContact CB-CG1 4.1Å; F344-I491 HydrophobicContact CD1-CB 4.29Å; F344-I491 HydrophobicContact CD1-CG1 4.01Å; F344-I491 HydrophobicContact CD1-CG2 4.25Å; F344-I491 HydrophobicContact CD2-CD1 4.25Å; F344-I491 HydrophobicContact CD2-CG1 4.04Å; F344-I491 HydrophobicContact CE1-CB 4.46Å; F344-I491 HydrophobicContact CE1-CG1 4.45Å; F344-I491 HydrophobicContact CE1-CG2 3.91Å; F344-I491 HydrophobicContact CE2-CD1 4.47Å; F344-I491 HydrophobicContact CE2-CG1 4.46Å; F344-I491 HydrophobicContact CG-CD1 4.49Å; F344-I491 HydrophobicContact CG-CG1 3.79Å; F344-I491 HydrophobicContact CZ-CG2 4.12Å
345	I	62.3	Low	49.9	Very low	65 Å²	65	90.4 Å²	90.4	33%	0.333	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-65.3	136.5	-177	-63	176.6	0	0	0	110.9	D342 H343 R451 K452 H489	D342-I345 HydrophobicContact CB-CD1 3.71Å; D342-I345 WeakPolarHBondContact O-CD1 3.4Å; H343-I345 PolarHBondContact O-N 3.15Å; H343-I345 VanDerWaalsContact O-N 3.17Å; I345-R451 PolarHBondContact N-O 3.21Å; I345-K452 WeakPolarHBondContact O-CA 3.09Å; I345-H489 WeakPolarHBondContact CG1-NE2 3.14Å; I345-H489 PolarHBondContact N-CE1 3.03Å
346	I	57.4	Low	50.4	Low	33 Å²	33	88.4 Å²	88.4	17%	0.169	46%	0.464	C	S	.	.			trans	-112.9	158.1	167.1	-17.4	169.7	0	0	0	109.7	P349 Y396 D488 A490	I346-P349 HydrophobicContact CD1-CB 4.32Å; I346-P349 HydrophobicContact CD1-CG 4Å; I346-Y396 HydrophobicContact CD1-CD1 3.66Å; I346-Y396 HydrophobicContact CD1-CE1 3.78Å; I346-D488 PolarHBondContact N-O 3.44Å; I346-A490 HydrophobicContact CD1-CB 3.37Å; I346-A490 HydrophobicContact CG1-CB 3.67Å
347	K	50.9	Low	51.2	Low	189 Å²	189	87.1 Å²	87.1	82%	0.822	45%	0.453	S	S	*	.	S	Bend	trans	-65.4	134.1	144.4	-80	-170.8	173.3	-172.6	0	106.8
348	K	48.3	Very low	52.2	Low	151 Å²	151	85.2 Å²	85.2	66%	0.657	43%	0.432	S	S	*	.			trans	-32.8	111.8	175.9	177.8	156.2	-169.2	159.4	0	111.1	D350 D488	K348-D350 PolarHBondContact O-N 2.98Å; K348-D488 WeakPolarHBondContact CA-OD2 3.41Å; K348-D488 VanDerWaalsContact CB-OD2 3.3Å; K348-D488 WeakPolarHBondContact CB-OD2 3.45Å; K348-D488 VanDerWaalsContact CG-OD2 3.22Å; K348-D488 WeakPolarHBondContact CG-OD2 3.28Å
349	P	48.3	Very low	52.6	Low	25 Å²	25	83 Å²	83	16%	0.162	43%	0.429	C	S	.	.			trans	-70	120.4	-163.9	25.1	-32.6	0	0	0	109.7	I346 L351 I354 Y396	I346-P349 HydrophobicContact CD1-CB 4.32Å; I346-P349 HydrophobicContact CD1-CG 4Å; P349-L351 PolarHBondContact O-N 2.86Å; P349-L351 VanDerWaalsContact O-N 3.15Å; P349-I354 HydrophobicContact CB-CD1 4.46Å; P349-Y396 HydrophobicContact CB-CE1 4.26Å; P349-Y396 HydrophobicContact CG-CD1 4.14Å; P349-Y396 HydrophobicContact CG-CE1 4.14Å
350	D	52	Low	53	Low	84 Å²	84	79.4 Å²	79.4	45%	0.449	40%	0.404	S	S	.	.			trans	-70.5	110.5	170.2	-166.5	-33.3	0	0	0	108.2	K348 S352 E353	K348-D350 PolarHBondContact O-N 2.98Å; D350-S352 VanDerWaalsContact CG-OG 3.29Å; D350-S352 PolarHBondContact O-N 2.94Å; D350-S352 VanDerWaalsContact O-N 3.14Å; D350-S352 WeakPolarHBondContact OD1-CA 3.28Å; D350-S352 VanDerWaalsContact OD1-CB 3.3Å; D350-S352 WeakPolarHBondContact OD1-CB 3.23Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 3.12Å; D350-E353 HydrophobicContact CB-CB 4.43Å; D350-E353 HydrophobicContact CB-CG 4.03Å; D350-E353 PolarHBondContact O-N 3.06Å
351	L	51.4	Low	53	Low	96 Å²	96	83.3 Å²	83.3	50%	0.503	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.1	-179.4	-65.1	173	0	0	0	112.7	P349	P349-L351 PolarHBondContact O-N 2.86Å; P349-L351 VanDerWaalsContact O-N 3.15Å
352	S	51.5	Low	53.2	Low	102 Å²	102	80 Å²	80	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-18.8	176.6	73.4	0	0	0	0	114.5	D350 I354	D350-S352 VanDerWaalsContact CG-OG 3.29Å; D350-S352 PolarHBondContact O-N 2.94Å; D350-S352 VanDerWaalsContact O-N 3.14Å; D350-S352 WeakPolarHBondContact OD1-CA 3.28Å; D350-S352 VanDerWaalsContact OD1-CB 3.3Å; D350-S352 WeakPolarHBondContact OD1-CB 3.23Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 3.12Å; S352-I354 VanDerWaalsContact C-N 3.31Å; S352-I354 PolarHBondContact O-N 2.82Å
353	E	43.2	Very low	53	Low	163 Å²	163	78.7 Å²	78.7	76%	0.762	41%	0.405	S	S	*	.	S	Bend	trans	-80.4	-7.6	176.7	-70.7	-169.3	150.6	0	0	113.5	D350	D350-E353 HydrophobicContact CB-CB 4.43Å; D350-E353 HydrophobicContact CB-CG 4.03Å; D350-E353 PolarHBondContact O-N 3.06Å
354	I	48	Very low	52.4	Low	29 Å²	29	83.2 Å²	83.2	15%	0.149	43%	0.43	C	S	.	.	S	Bend	trans	-116.6	115	-165.5	-43	169.7	0	0	0	110.9	P349 S352 R379	P349-I354 HydrophobicContact CB-CD1 4.46Å; S352-I354 VanDerWaalsContact C-N 3.31Å; S352-I354 PolarHBondContact O-N 2.82Å; I354-R379 VanDerWaalsContact CG2-CZ 3.44Å; I354-R379 PolarHBondContact O-NH2 2.78Å
355	P	41.5	Very low	51.9	Low	93 Å²	93	90.3 Å²	90.3	60%	0.604	46%	0.463	S	S	*	.			trans	-59.3	153.8	-162.6	22.4	-35	0	0	0	115.9	Q357 R379	P355-Q357 PolarHBondContact O-N 3.05Å; P355-R379 PolarHBondContact O-NH2 2.91Å
356	E	42.1	Very low	52.6	Low	171 Å²	171	87.6 Å²	87.6	80%	0.799	45%	0.449	S	S	*	.	S	Bend	trans	-53	93	-169.5	-61.9	-173.5	141.3	0	0	114.3
357	Q	49.2	Very low	53.7	Low	52 Å²	52	88.8 Å²	88.8	24%	0.243	47%	0.47	C	S	.	.			trans	-142.8	148.4	-177.5	-75.4	175.7	-36	0	0	109.5	P355 F381 D382	P355-Q357 PolarHBondContact O-N 3.05Å; Q357-F381 VanDerWaalsContact CB-O 3.29Å; Q357-F381 WeakPolarHBondContact CB-O 3.42Å; Q357-F381 VanDerWaalsContact CD-C 3.41Å; Q357-F381 VanDerWaalsContact CD-CA 3.44Å; Q357-F381 WeakPolarHBondContact CG-O 3.47Å; Q357-F381 PolarHBondContact NE2-O 3.03Å; Q357-D382 PolarHBondContact NE2-OD1 2.91Å; Q357-D382 VanDerWaalsContact NE2-OD1 3.1Å
358	K	55.2	Low	55.2	Low	100 Å²	100	86.8 Å²	86.8	44%	0.435	46%	0.464	S	S	.	.			trans	-66.8	134.8	-164.4	-66.1	-174.5	-170.7	137.6	0	113	I380 S383 L547	K358-I380 PolarHBondContact O-N 3.49Å; K358-S383 WeakPolarHBondContact CD-OG 3.28Å; K358-S383 WeakPolarHBondContact CE-OG 3.2Å; K358-S383 PolarHBondContact NZ-OG 2.84Å; K358-L547 HydrophobicContact CB-CD2 4.36Å
359	L	50	Low	56.9	Low	74 Å²	74	79.7 Å²	79.7	39%	0.387	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	178.1	-69.1	161.6	0	0	0	110.1	I377 R379	L359-I377 HydrophobicContact CD2-CG2 4.15Å; L359-R379 HydrophobicContact CD2-CB 3.85Å; L359-R379 HydrophobicContact CD2-CG 3.69Å
360	A	55.1	Low	58.7	Low	16 Å²	16	80.7 Å²	80.7	13%	0.132	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.8	158.4	0	0	0	0	0	109.2	I377 I378 D545 L547	A360-I377 WeakPolarHBondContact O-CG2 3.42Å; A360-I378 HydrophobicContact CB-CG2 4.07Å; A360-I378 PolarHBondContact N-O 2.79Å; A360-I378 VanDerWaalsContact N-O 3.15Å; A360-I378 PolarHBondContact O-N 2.9Å; A360-D545 HydrophobicContact CB-CB 4.46Å; A360-L547 HydrophobicContact CB-CD1 4.25Å; A360-L547 HydrophobicContact CB-CD2 3.63Å; A360-L547 HydrophobicContact CB-CG 3.58Å
361	I	51.7	Low	60.3	Low	101 Å²	101	82.2 Å²	82.2	52%	0.518	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	107	-171.1	-60.7	166.8	0	0	0	108.1	I377	I361-I377 HydrophobicContact CG1-CD1 4.37Å; I361-I377 HydrophobicContact CG1-CG1 4.31Å; I361-I377 HydrophobicContact CG1-CG2 4.17Å; I361-I377 HydrophobicContact CG2-CD1 4.49Å; I361-I377 HydrophobicContact CG2-CG1 4.22Å
362	L	59	Low	62	Low	16 Å²	16	77.6 Å²	77.6	8%	0.084	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114	170.8	-177.3	112	0	0	0	108.6	F366 V376 S543	L362-F366 HydrophobicContact CD2-CE1 3.68Å; L362-F366 HydrophobicContact CD2-CZ 4.13Å; L362-V376 CarbonylContact C-O 3.57Å; L362-V376 PolarHBondContact N-O 2.91Å; L362-V376 PolarHBondContact O-N 2.89Å; L362-S543 WeakPolarHBondContact CD2-O 3.41Å
363	S	52.8	Low	63.8	Low	67 Å²	67	72.8 Å²	72.8	47%	0.469	39%	0.391	S	S	.	.			trans	-123.8	1.4	-166.6	68.5	0	0	0	0	116.8
364	N	53.7	Low	65.8	Low	121 Å²	121	69.5 Å²	69.5	65%	0.647	38%	0.375	S	S	*	.	S	Bend	trans	-155.5	17.3	-167.1	63.7	-2.8	0	0	0	118
365	Q	66.2	Low	67.6	Low	149 Å²	149	70.6 Å²	70.6	70%	0.696	38%	0.378	S	S	*	.			trans	-130.5	70.7	177.4	-64.2	-166.7	23.9	0	0	112.5
366	F	77.2	Confident	69.8	Low	7 Å²	7	66.2 Å²	66.2	3%	0.031	35%	0.349	C	S	.	.			trans	-108.8	-0.8	-179.1	-53	-59.1	0	0	0	114.2	L362 E368 L369 V373 V376 I542	L362-F366 HydrophobicContact CD2-CE1 3.68Å; L362-F366 HydrophobicContact CD2-CZ 4.13Å; F366-E368 PolarHBondContact O-N 3.41Å; F366-L369 HydrophobicContact CB-CB 4.45Å; F366-L369 PolarHBondContact O-N 2.73Å; F366-L369 VanDerWaalsContact O-N 3.07Å; F366-V373 HydrophobicContact CB-CB 4.38Å; F366-V373 HydrophobicContact CD1-CB 4.35Å; F366-V373 HydrophobicContact CD1-CG1 3.88Å; F366-V373 HydrophobicContact CD2-CB 4.12Å; F366-V373 HydrophobicContact CD2-CG1 3.94Å; F366-V373 HydrophobicContact CE1-CG1 3.88Å; F366-V373 HydrophobicContact CE2-CG1 3.95Å; F366-V373 HydrophobicContact CG-CB 4.01Å; F366-V373 HydrophobicContact CG-CG1 3.92Å; F366-V373 HydrophobicContact CZ-CG1 3.94Å; F366-V376 HydrophobicContact CE1-CB 4.27Å; F366-V376 HydrophobicContact CE1-CG2 3.71Å; F366-V376 HydrophobicContact CZ-CG2 4.16Å; F366-I542 HydrophobicContact CD1-CD1 3.72Å; F366-I542 HydrophobicContact CE1-CD1 4.01Å
367	G	80.2	Confident	71.8	Confident	59 Å²	59	58.6 Å²	58.6	61%	0.608	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	56.5	-127.9	179.3	0	0	0	0	0	111.9	L369 S370	G367-L369 PolarHBondContact O-N 2.69Å; G367-L369 VanDerWaalsContact O-N 3.14Å; G367-S370 PolarHBondContact N-OG 2.9Å; G367-S370 VanDerWaalsContact O-CB 3.31Å; G367-S370 WeakPolarHBondContact O-CB 3.25Å; G367-S370 PolarHBondContact O-N 2.89Å; G367-S370 VanDerWaalsContact O-N 3.07Å; G367-S370 PolarHBondContact O-OG 2.84Å
368	E	81.8	Confident	73.6	Confident	147 Å²	147	56.1 Å²	56.1	69%	0.687	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.8	-18.2	178.6	-60.9	174.6	165.4	0	0	114	F366 R533	F366-E368 PolarHBondContact O-N 3.41Å; E368-R533 PolarHBondContact O-NH2 3.04Å
369	L	85.4	Confident	74.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-94.7	7.7	177.4	-59.4	-179.2	0	0	0	113.4	F366 G367 D371 S372 V373 I403 L531 R533 V540	F366-L369 HydrophobicContact CB-CB 4.45Å; F366-L369 PolarHBondContact O-N 2.73Å; F366-L369 VanDerWaalsContact O-N 3.07Å; G367-L369 PolarHBondContact O-N 2.69Å; G367-L369 VanDerWaalsContact O-N 3.14Å; L369-D371 PolarHBondContact O-N 2.83Å; L369-S372 PolarHBondContact O-N 3.26Å; L369-V373 HydrophobicContact CB-CG2 4.11Å; L369-V373 PolarHBondContact O-N 3.25Å; L369-I403 HydrophobicContact CD1-CD1 4.36Å; L369-I403 HydrophobicContact CD2-CD1 4.3Å; L369-L531 HydrophobicContact CD1-CB 3.57Å; L369-L531 HydrophobicContact CD1-CD1 4.15Å; L369-L531 HydrophobicContact CD1-CG 4.47Å; L369-R533 HydrophobicContact CD2-CG 4.33Å; L369-V540 HydrophobicContact CD1-CB 3.91Å; L369-V540 HydrophobicContact CD1-CG2 4.31Å; L369-V540 HydrophobicContact CG-CB 4.3Å; L369-V540 HydrophobicContact CG-CG2 4.22Å
370	S	85	Confident	76.4	Confident	46 Å²	46	48.1 Å²	48.1	32%	0.322	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	-177.5	-57.5	0	0	0	0	114.1	G367 V373 K400	G367-S370 PolarHBondContact N-OG 2.9Å; G367-S370 VanDerWaalsContact O-CB 3.31Å; G367-S370 WeakPolarHBondContact O-CB 3.25Å; G367-S370 PolarHBondContact O-N 2.89Å; G367-S370 VanDerWaalsContact O-N 3.07Å; G367-S370 PolarHBondContact O-OG 2.84Å; S370-V373 VanDerWaalsContact O-O 3.14Å; S370-K400 PolarHBondContact O-NZ 2.74Å
371	D	85.7	Confident	77.4	Confident	116 Å²	116	48.2 Å²	48.2	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-26.3	174.6	-60.9	-46	0	0	0	112.5	L369 K400	L369-D371 PolarHBondContact O-N 2.83Å; D371-K400 WeakPolarHBondContact O-CD 3.34Å
372	S	88.3	Confident	78.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-34.8	-175.4	-47	0	0	0	0	112.8	L369 K400 E401 R533	L369-S372 PolarHBondContact O-N 3.26Å; S372-K400 PolarHBondContact O-N 3.27Å; S372-E401 WeakPolarHBondContact CA-OE2 3.15Å; S372-E401 VanDerWaalsContact CB-OE2 3.28Å; S372-E401 WeakPolarHBondContact CB-OE2 3.5Å; S372-E401 PolarHBondContact O-N 2.98Å; S372-E401 PolarHBondContact OG-OE2 3.15Å; S372-R533 PolarHBondContact OG-NE 3.43Å
373	V	88.4	Confident	79.4	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.9	175.5	-176.8	0	0	0	0	110.1	F366 L369 S370 V376 L399 K400 I403 L531	F366-V373 HydrophobicContact CB-CB 4.38Å; F366-V373 HydrophobicContact CD1-CB 4.35Å; F366-V373 HydrophobicContact CD1-CG1 3.88Å; F366-V373 HydrophobicContact CD2-CB 4.12Å; F366-V373 HydrophobicContact CD2-CG1 3.94Å; F366-V373 HydrophobicContact CE1-CG1 3.88Å; F366-V373 HydrophobicContact CE2-CG1 3.95Å; F366-V373 HydrophobicContact CG-CB 4.01Å; F366-V373 HydrophobicContact CG-CG1 3.92Å; F366-V373 HydrophobicContact CZ-CG1 3.94Å; L369-V373 HydrophobicContact CB-CG2 4.11Å; L369-V373 PolarHBondContact O-N 3.25Å; S370-V373 VanDerWaalsContact O-O 3.14Å; V373-V376 HydrophobicContact CG1-CG2 4.14Å; V373-L399 HydrophobicContact CB-CD2 4.47Å; V373-L399 HydrophobicContact CG2-CD2 3.97Å; V373-K400 PolarHBondContact O-NZ 3.49Å; V373-K400 VanDerWaalsContact O-NZ 3.12Å; V373-I403 HydrophobicContact CG2-CD1 3.51Å; V373-L531 HydrophobicContact CG2-CD1 4.13Å
374	E	86.5	Confident	80.9	Confident	94 Å²	94	45.7 Å²	45.7	44%	0.439	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-50.4	171.9	-169.2	-164.6	141.6	0	0	111.9	C398 K400	E374-C398 HydrophobicContact CB-CB 4.23Å; E374-C398 PolarHBondContact N-O 3.49Å; E374-K400 HydrophobicContact CB-CG 4.28Å
375	R	85.3	Confident	82.3	Confident	52 Å²	52	40 Å²	40	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	154.2	-172.5	54.6	-178.4	-175.7	150.7	11.7	110.9	C398 D488	R375-C398 HydrophobicContact CG-CB 3.47Å; R375-C398 VanDerWaalsContact CG-CB 3.47Å; R375-C398 PolarHBondContact NE-SG 3.05Å; R375-C398 PolarHBondContact NH2-SG 3.22Å; R375-C398 VanDerWaalsContact NH2-SG 3.44Å; R375-C398 PolarHBondContact O-N 2.79Å; R375-D488 IonicContact CZ-OD1 3.13Å; R375-D488 IonicContact NH2-OD1 2.66Å; R375-D488 PolarHBondContact NH2-OD1 3.21Å
376	V	87.8	Confident	83.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.1	172.6	-179.7	0	0	0	0	109.3	L362 F366 V373 V395 Y396 M529 I542 T544	L362-V376 CarbonylContact C-O 3.57Å; L362-V376 PolarHBondContact N-O 2.91Å; L362-V376 PolarHBondContact O-N 2.89Å; F366-V376 HydrophobicContact CE1-CB 4.27Å; F366-V376 HydrophobicContact CE1-CG2 3.71Å; F366-V376 HydrophobicContact CZ-CG2 4.16Å; V373-V376 HydrophobicContact CG1-CG2 4.14Å; V376-V395 HydrophobicContact CG1-CG1 4.04Å; V376-Y396 WeakPolarHBondContact CA-O 3.45Å; V376-M529 HydrophobicContact CB-CE 4.33Å; V376-M529 HydrophobicContact CG1-CE 3.55Å; V376-M529 HydrophobicContact CG2-CE 3.79Å; V376-I542 HydrophobicContact CG2-CD1 3.99Å; V376-T544 HydrophobicContact CG1-CG2 3.63Å
377	I	83.3	Confident	83.2	Confident	11 Å²	11	33 Å²	33	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.4	-177.1	-55.1	176	0	0	0	108.2	L359 A360 I361 Y396	L359-I377 HydrophobicContact CD2-CG2 4.15Å; A360-I377 WeakPolarHBondContact O-CG2 3.42Å; I361-I377 HydrophobicContact CG1-CD1 4.37Å; I361-I377 HydrophobicContact CG1-CG1 4.31Å; I361-I377 HydrophobicContact CG1-CG2 4.17Å; I361-I377 HydrophobicContact CG2-CD1 4.49Å; I361-I377 HydrophobicContact CG2-CG1 4.22Å; I377-Y396 HydrophobicContact CB-CD2 4.42Å; I377-Y396 PolarHBondContact N-O 3.26Å; I377-Y396 PolarHBondContact O-N 3.02Å
378	I	87	Confident	83.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.2	165.5	-174.6	172	0	0	0	108.4	A360 F493 V525 A527 T544 L547	A360-I378 HydrophobicContact CB-CG2 4.07Å; A360-I378 PolarHBondContact N-O 2.79Å; A360-I378 VanDerWaalsContact N-O 3.15Å; A360-I378 PolarHBondContact O-N 2.9Å; I378-F493 HydrophobicContact CD1-CE1 4.39Å; I378-F493 HydrophobicContact CD1-CZ 4.13Å; I378-F493 HydrophobicContact CG1-CE1 4.19Å; I378-F493 HydrophobicContact CG1-CZ 4.16Å; I378-V525 HydrophobicContact CD1-CG1 4.12Å; I378-A527 HydrophobicContact CD1-CB 4.12Å; I378-T544 HydrophobicContact CB-CG2 4.21Å; I378-T544 HydrophobicContact CG2-CG2 4.19Å; I378-T544 WeakPolarHBondContact CG2-OG1 3.26Å; I378-L547 HydrophobicContact CB-CD1 4.44Å; I378-L547 HydrophobicContact CG1-CD1 4.13Å; I378-L547 HydrophobicContact CG2-CD1 3.82Å; I378-L547 HydrophobicContact CG2-CG 4.26Å
379	R	80.6	Confident	83	Confident	4 Å²	4	24 Å²	24	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.4	168.6	-172.5	177.4	-170	140	-1.4	108.5	I354 P355 L359 G393 V394 Y396	I354-R379 VanDerWaalsContact CG2-CZ 3.44Å; I354-R379 PolarHBondContact O-NH2 2.78Å; P355-R379 PolarHBondContact O-NH2 2.91Å; L359-R379 HydrophobicContact CD2-CB 3.85Å; L359-R379 HydrophobicContact CD2-CG 3.69Å; R379-G393 CarbonylContact O-C 3.57Å; R379-G393 WeakPolarHBondContact O-CA 3.49Å; R379-V394 PolarHBondContact N-O 2.74Å; R379-V394 PolarHBondContact O-N 2.7Å; R379-Y396 HydrophobicContact CB-CE2 3.93Å
380	I	84.4	Confident	82.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140	164.2	-65.7	164.4	0	0	0	106.1	K358 L391 F493 V525 L547 I549	K358-I380 PolarHBondContact O-N 3.49Å; I380-L391 HydrophobicContact CD1-CD2 4.09Å; I380-L391 HydrophobicContact CG1-CD2 4.35Å; I380-L391 HydrophobicContact CG2-CD1 3.89Å; I380-L391 HydrophobicContact CG2-CD2 4.29Å; I380-L391 HydrophobicContact CG2-CG 4.03Å; I380-F493 HydrophobicContact CG1-CZ 4.45Å; I380-V525 HydrophobicContact CD1-CB 3.83Å; I380-V525 HydrophobicContact CD1-CG1 4Å; I380-V525 HydrophobicContact CD1-CG2 4.22Å; I380-L547 HydrophobicContact CB-CD1 4.3Å; I380-L547 HydrophobicContact CD1-CB 3.73Å; I380-L547 HydrophobicContact CD1-CD1 3.49Å; I380-L547 VanDerWaalsContact CD1-CD1 3.49Å; I380-L547 HydrophobicContact CD1-CG 4.22Å; I380-L547 HydrophobicContact CG1-CD1 3.68Å; I380-I549 HydrophobicContact CD1-CG2 3.59Å
381	F	76.1	Confident	82.8	Confident	19 Å²	19	22.1 Å²	22.1	8%	0.083	12%	0.123	C	C	.	.	S	Bend	trans	-72.7	-80.4	172.5	-60.6	-48	0	0	0	108.6	Q357 S383 R392 V394 F453 F460	Q357-F381 VanDerWaalsContact CB-O 3.29Å; Q357-F381 WeakPolarHBondContact CB-O 3.42Å; Q357-F381 VanDerWaalsContact CD-C 3.41Å; Q357-F381 VanDerWaalsContact CD-CA 3.44Å; Q357-F381 WeakPolarHBondContact CG-O 3.47Å; Q357-F381 PolarHBondContact NE2-O 3.03Å; F381-S383 PolarHBondContact O-N 3.22Å; F381-R392 HydrophobicContact CD2-CB 3.84Å; F381-R392 PolarHBondContact N-O 3.12Å; F381-V394 HydrophobicContact CE1-CG2 4.32Å; F381-V394 HydrophobicContact CE2-CG2 4.22Å; F381-V394 HydrophobicContact CZ-CG2 3.59Å; F381-F453 HydrophobicContact CZ-CZ 4.39Å; F381-F460 HydrophobicContact CE2-CB 4.22Å; F381-F460 AromaticContact CE2-CD1 4Å; F381-F460 HydrophobicContact CE2-CD1 4Å; F381-F460 HydrophobicContact CE2-CG 4.27Å
382	D	75.1	Confident	82.7	Confident	67 Å²	67	17.2 Å²	17.2	36%	0.358	10%	0.095	S	C	.	.			trans	-88.6	101.9	179.4	-64.9	-35.7	0	0	0	111.7	Q357 A384 L391 P464	Q357-D382 PolarHBondContact NE2-OD1 2.91Å; Q357-D382 VanDerWaalsContact NE2-OD1 3.1Å; D382-A384 PolarHBondContact O-N 2.77Å; D382-A384 VanDerWaalsContact O-N 3.15Å; D382-L391 WeakPolarHBondContact O-CD1 3.29Å; D382-P464 HydrophobicContact CB-CB 4.2Å; D382-P464 HydrophobicContact CB-CG 4.16Å; D382-P464 WeakPolarHBondContact OD2-CD 3.38Å; D382-P464 WeakPolarHBondContact OD2-CG 3.19Å
383	S	77.3	Confident	82.6	Confident	23 Å²	23	17.2 Å²	17.2	16%	0.161	10%	0.095	C	C	.	.	S	Bend	trans	-74.5	7.5	174.6	74	0	0	0	0	114.4	K358 F381 K550	K358-S383 WeakPolarHBondContact CD-OG 3.28Å; K358-S383 WeakPolarHBondContact CE-OG 3.2Å; K358-S383 PolarHBondContact NZ-OG 2.84Å; F381-S383 PolarHBondContact O-N 3.22Å; S383-K550 PolarHBondContact O-N 3.34Å
384	A	83.2	Confident	82.5	Confident	40 Å²	40	17.1 Å²	17.1	33%	0.331	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.8	172.1	0	0	0	0	0	108.3	D382 K550 L552	D382-A384 PolarHBondContact O-N 2.77Å; D382-A384 VanDerWaalsContact O-N 3.15Å; A384-K550 VanDerWaalsContact CA-O 3.28Å; A384-K550 WeakPolarHBondContact CA-O 3.41Å; A384-L552 HydrophobicContact CB-CD1 4.12Å; A384-L552 HydrophobicContact CB-CD2 4.49Å; A384-L552 HydrophobicContact CB-CG 4.26Å
385	V	83.3	Confident	82.7	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.1	-170.5	68.5	0	0	0	0	109.9	L391 L497 I549 K550 V551 L552	V385-L391 HydrophobicContact CB-CD1 4.07Å; V385-L391 HydrophobicContact CG1-CD1 3.97Å; V385-L391 HydrophobicContact CG2-CD1 4.47Å; V385-L497 HydrophobicContact CG1-CD2 3.92Å; V385-I549 HydrophobicContact CG1-CD1 4.26Å; V385-K550 PolarHBondContact N-O 2.81Å; V385-V551 HydrophobicContact CG1-CG2 4.32Å; V385-V551 CarbonylContact O-C 3.45Å; V385-V551 VanDerWaalsContact O-CA 3.32Å; V385-V551 WeakPolarHBondContact O-CA 3.3Å; V385-L552 PolarHBondContact O-N 2.99Å
386	V	82.4	Confident	82.8	Confident	4 Å²	4	10.9 Å²	10.9	2%	0.024	7%	0.068	C	C	.	.			trans	-94.8	157	172.9	-61.2	0	0	0	0	110.9	G389 V465 L552 C554 Q767	V386-G389 WeakPolarHBondContact O-CA 3.44Å; V386-G389 PolarHBondContact O-N 3.01Å; V386-V465 HydrophobicContact CG1-CG1 4.05Å; V386-L552 HydrophobicContact CG1-CB 4.17Å; V386-C554 HydrophobicContact CB-CB 3.99Å; V386-C554 HydrophobicContact CG1-CB 3.75Å; V386-Q767 HydrophobicContact CG1-CB 4.47Å; V386-Q767 HydrophobicContact CG1-CG 4.38Å
387	P	80.1	Confident	82.9	Confident	5 Å²	5	10.8 Å²	10.8	3%	0.032	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	139.4	169.8	-24.8	35.8	0	0	0	111.1	G389 E498 A501 V551 L552 Y772	P387-G389 PolarHBondContact O-N 3.13Å; P387-G389 VanDerWaalsContact O-N 3.14Å; P387-E498 WeakPolarHBondContact CA-O 3.38Å; P387-A501 HydrophobicContact CB-CB 4.23Å; P387-A501 HydrophobicContact CG-CB 4.45Å; P387-A501 WeakPolarHBondContact CG-O 2.97Å; P387-V551 HydrophobicContact CG-CG1 3.87Å; P387-L552 VanDerWaalsContact CD-O 3.32Å; P387-L552 WeakPolarHBondContact CD-O 3.29Å; P387-Y772 HydrophobicContact CB-CE2 4.34Å; P387-Y772 WeakPolarHBondContact O-CE2 3.44Å
388	G	77.2	Confident	83.1	Confident	18 Å²	18	10.4 Å²	10.4	19%	0.186	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-5.2	-173.2	0	0	0	0	0	115.6	V468 L497 E498	G388-V468 VanDerWaalsContact O-CG2 3.27Å; G388-V468 WeakPolarHBondContact O-CG2 3.26Å; G388-L497 WeakPolarHBondContact CA-O 3.31Å; G388-L497 PolarHBondContact N-O 3.12Å; G388-E498 PolarHBondContact N-O 3.2Å; G388-E498 VanDerWaalsContact N-O 3.08Å
389	G	80	Confident	83.3	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-81.7	154	172.7	0	0	0	0	0	112	V386 P387 L497	V386-G389 WeakPolarHBondContact O-CA 3.44Å; V386-G389 PolarHBondContact O-N 3.01Å; P387-G389 PolarHBondContact O-N 3.13Å; P387-G389 VanDerWaalsContact O-N 3.14Å; G389-L497 PolarHBondContact O-N 2.85Å
390	A	81.8	Confident	83.7	Confident	4 Å²	4	15.5 Å²	15.5	3%	0.033	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.6	179.3	0	0	0	0	0	111.9	V468 F475 F495	A390-V468 HydrophobicContact CB-CG2 3.46Å; A390-V468 VanDerWaalsContact CB-CG2 3.46Å; A390-V468 VanDerWaalsContact N-CG2 3.27Å; A390-F475 HydrophobicContact CB-CE1 3.75Å; A390-F475 HydrophobicContact CB-CZ 3.75Å; A390-F495 CarbonylContact C-O 3.53Å; A390-F495 VanDerWaalsContact CA-O 3.32Å; A390-F495 WeakPolarHBondContact CA-O 3.44Å
391	L	85.2	Confident	84.1	Confident	2 Å²	2	19.5 Å²	19.5	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.1	163.3	-159.5	81.4	0	0	0	109.1	I380 D382 V385 A494 F495 V525 I549	I380-L391 HydrophobicContact CD1-CD2 4.09Å; I380-L391 HydrophobicContact CG1-CD2 4.35Å; I380-L391 HydrophobicContact CG2-CD1 3.89Å; I380-L391 HydrophobicContact CG2-CD2 4.29Å; I380-L391 HydrophobicContact CG2-CG 4.03Å; D382-L391 WeakPolarHBondContact O-CD1 3.29Å; V385-L391 HydrophobicContact CB-CD1 4.07Å; V385-L391 HydrophobicContact CG1-CD1 3.97Å; V385-L391 HydrophobicContact CG2-CD1 4.47Å; L391-A494 WeakPolarHBondContact O-CA 3.44Å; L391-F495 HydrophobicContact CB-CD2 4.37Å; L391-F495 HydrophobicContact CB-CE1 4.23Å; L391-F495 HydrophobicContact CB-CE2 3.92Å; L391-F495 HydrophobicContact CB-CZ 3.86Å; L391-F495 HydrophobicContact CD2-CE1 3.82Å; L391-F495 HydrophobicContact CD2-CE2 4.08Å; L391-F495 HydrophobicContact CD2-CZ 3.32Å; L391-F495 HydrophobicContact CG-CZ 4.21Å; L391-F495 PolarHBondContact N-O 3.1Å; L391-F495 PolarHBondContact O-N 2.85Å; L391-V525 HydrophobicContact CD2-CG1 4.25Å; L391-V525 HydrophobicContact CD2-CG2 3.8Å; L391-I549 HydrophobicContact CD1-CD1 4.14Å; L391-I549 HydrophobicContact CD1-CG2 4.25Å; L391-I549 HydrophobicContact CD2-CD1 4.17Å; L391-I549 HydrophobicContact CD2-CG2 4.33Å
392	R	84.2	Confident	84.7	Confident	13 Å²	13	21.5 Å²	21.5	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.1	-175.7	-64.5	-179.7	165.3	84.2	10.2	111.1	F381 E459 Q462 F493 A494	F381-R392 HydrophobicContact CD2-CB 3.84Å; F381-R392 PolarHBondContact N-O 3.12Å; R392-E459 PolarHBondContact NE-O 2.82Å; R392-E459 PolarHBondContact NH2-O 3.2Å; R392-Q462 PolarHBondContact NH1-O 2.96Å; R392-Q462 VanDerWaalsContact NH2-CD 3.33Å; R392-F493 WeakPolarHBondContact CA-O 3.29Å; R392-A494 HydrophobicContact CG-CB 4.03Å
393	G	86	Confident	85.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-170.6	-178.8	0	0	0	0	0	113.7	R379 P492 F493	R379-G393 CarbonylContact O-C 3.57Å; R379-G393 WeakPolarHBondContact O-CA 3.49Å; G393-P492 WeakPolarHBondContact O-CA 3.22Å; G393-F493 VanDerWaalsContact C-CE1 3.43Å; G393-F493 PolarHBondContact N-O 2.83Å; G393-F493 PolarHBondContact O-N 2.92Å
394	V	86.3	Confident	86.3	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	132.9	-180	-178.5	0	0	0	0	108.7	R379 F381 Y396 F453 A490 P492 F493	R379-V394 PolarHBondContact N-O 2.74Å; R379-V394 PolarHBondContact O-N 2.7Å; F381-V394 HydrophobicContact CE1-CG2 4.32Å; F381-V394 HydrophobicContact CE2-CG2 4.22Å; F381-V394 HydrophobicContact CZ-CG2 3.59Å; V394-Y396 HydrophobicContact CB-CD2 4.23Å; V394-Y396 HydrophobicContact CB-CE2 3.65Å; V394-Y396 HydrophobicContact CG1-CD1 4.19Å; V394-Y396 HydrophobicContact CG1-CD2 3.86Å; V394-Y396 HydrophobicContact CG1-CE1 3.93Å; V394-Y396 HydrophobicContact CG1-CE2 3.57Å; V394-Y396 HydrophobicContact CG1-CG 4.16Å; V394-F453 HydrophobicContact CG2-CE1 3.62Å; V394-F453 HydrophobicContact CG2-CZ 3.75Å; V394-A490 HydrophobicContact CG1-CB 3.54Å; V394-P492 HydrophobicContact CG2-CB 4.33Å; V394-F493 VanDerWaalsContact N-CE1 3.34Å
395	V	89.7	Confident	86.8	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.3	163.3	-177.8	0	0	0	0	107.5	V376 I397 L408 I491 F493 A527 M529	V376-V395 HydrophobicContact CG1-CG1 4.04Å; V395-I397 HydrophobicContact CG1-CG1 4.15Å; V395-L408 HydrophobicContact CB-CD2 4.24Å; V395-L408 HydrophobicContact CG2-CD1 4.04Å; V395-L408 HydrophobicContact CG2-CD2 4.08Å; V395-I491 PolarHBondContact N-O 2.82Å; V395-I491 PolarHBondContact O-N 2.91Å; V395-F493 HydrophobicContact CG2-CD1 4.02Å; V395-F493 HydrophobicContact CG2-CE1 3.89Å; V395-A527 HydrophobicContact CG2-CB 3.67Å; V395-M529 HydrophobicContact CG1-CE 4.45Å; V395-M529 HydrophobicContact CG1-SD 3.87Å
396	Y	87.4	Confident	87.2	Confident	14 Å²	14	18.3 Å²	18.3	6%	0.055	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.1	171.9	-58.9	-95.8	0	0	0	109.2	I346 P349 V376 I377 R379 V394 H489 A490	I346-Y396 HydrophobicContact CD1-CD1 3.66Å; I346-Y396 HydrophobicContact CD1-CE1 3.78Å; P349-Y396 HydrophobicContact CB-CE1 4.26Å; P349-Y396 HydrophobicContact CG-CD1 4.14Å; P349-Y396 HydrophobicContact CG-CE1 4.14Å; V376-Y396 WeakPolarHBondContact CA-O 3.45Å; I377-Y396 HydrophobicContact CB-CD2 4.42Å; I377-Y396 PolarHBondContact N-O 3.26Å; I377-Y396 PolarHBondContact O-N 3.02Å; R379-Y396 HydrophobicContact CB-CE2 3.93Å; V394-Y396 HydrophobicContact CB-CD2 4.23Å; V394-Y396 HydrophobicContact CB-CE2 3.65Å; V394-Y396 HydrophobicContact CG1-CD1 4.19Å; V394-Y396 HydrophobicContact CG1-CD2 3.86Å; V394-Y396 HydrophobicContact CG1-CE1 3.93Å; V394-Y396 HydrophobicContact CG1-CE2 3.57Å; V394-Y396 HydrophobicContact CG1-CG 4.16Å; Y396-H489 VanDerWaalsContact CA-O 3.24Å; Y396-H489 WeakPolarHBondContact CA-O 3.4Å; Y396-A490 HydrophobicContact CD1-CB 4.06Å; Y396-A490 HydrophobicContact CE1-CB 3.99Å
397	I	89.9	Confident	87.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	177.1	-49.1	175.7	0	0	0	107.1	V395 L399 L405 L484 H489 I491 M529	V395-I397 HydrophobicContact CG1-CG1 4.15Å; I397-L399 HydrophobicContact CG2-CD1 4.49Å; I397-L399 HydrophobicContact CG2-CD2 3.78Å; I397-L399 HydrophobicContact CG2-CG 4Å; I397-L405 HydrophobicContact CD1-CD2 4.16Å; I397-L484 HydrophobicContact CD1-CD1 3.95Å; I397-H489 PolarHBondContact N-O 2.85Å; I397-H489 PolarHBondContact O-N 2.97Å; I397-I491 HydrophobicContact CD1-CD1 3.76Å; I397-M529 HydrophobicContact CD1-CE 4.23Å; I397-M529 HydrophobicContact CD1-SD 3.49Å; I397-M529 WeakPolarHBondContact CD1-SD 3.09Å; I397-M529 HydrophobicContact CG1-CE 4.27Å; I397-M529 HydrophobicContact CG1-SD 3.97Å
398	C	88.2	Confident	88.6	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.014	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.1	-179	-50.7	0	0	0	0	108.9	E374 R375 G487 D488	E374-C398 HydrophobicContact CB-CB 4.23Å; E374-C398 PolarHBondContact N-O 3.49Å; R375-C398 HydrophobicContact CG-CB 3.47Å; R375-C398 VanDerWaalsContact CG-CB 3.47Å; R375-C398 PolarHBondContact NE-SG 3.05Å; R375-C398 PolarHBondContact NH2-SG 3.22Å; R375-C398 VanDerWaalsContact NH2-SG 3.44Å; R375-C398 PolarHBondContact O-N 2.79Å; C398-G487 WeakPolarHBondContact CA-O 3.5Å; C398-D488 PolarHBondContact SG-OD1 2.99Å
399	L	90	Very high	89.4	Confident	8 Å²	8	19.8 Å²	19.8	4%	0.042	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.9	-166.2	-63.9	179.2	0	0	0	111.7	V373 I397 I403 L484 A485 P486 G487	V373-L399 HydrophobicContact CB-CD2 4.47Å; V373-L399 HydrophobicContact CG2-CD2 3.97Å; I397-L399 HydrophobicContact CG2-CD1 4.49Å; I397-L399 HydrophobicContact CG2-CD2 3.78Å; I397-L399 HydrophobicContact CG2-CG 4Å; L399-I403 HydrophobicContact CD1-CB 4.09Å; L399-I403 HydrophobicContact CD1-CG2 4.5Å; L399-I403 HydrophobicContact CD2-CB 4.16Å; L399-I403 HydrophobicContact CD2-CD1 4.13Å; L399-I403 HydrophobicContact CD2-CG2 4.44Å; L399-L484 HydrophobicContact CD1-CB 3.41Å; L399-L484 VanDerWaalsContact CD1-CB 3.41Å; L399-L484 HydrophobicContact CD1-CD1 4.08Å; L399-L484 HydrophobicContact CD1-CG 4.4Å; L399-A485 WeakPolarHBondContact CD1-O 3.07Å; L399-P486 WeakPolarHBondContact O-CA 3.34Å; L399-G487 PolarHBondContact N-O 2.91Å; L399-G487 PolarHBondContact O-N 2.84Å
400	K	90.4	Very high	90	Very high	104 Å²	104	19.8 Å²	19.8	45%	0.452	10%	0.1	S	C	.	.	S	Bend	trans	-87.7	-33.5	171.1	-60.7	154.7	179.2	165.2	0	111	S370 D371 S372 V373 E374	S370-K400 PolarHBondContact O-NZ 2.74Å; D371-K400 WeakPolarHBondContact O-CD 3.34Å; S372-K400 PolarHBondContact O-N 3.27Å; V373-K400 PolarHBondContact O-NZ 3.49Å; V373-K400 VanDerWaalsContact O-NZ 3.12Å; E374-K400 HydrophobicContact CB-CG 4.28Å
401	E	91.5	Very high	90.6	Very high	84 Å²	84	19.8 Å²	19.8	39%	0.393	10%	0.099	S	C	.	.	S	Bend	trans	-129.5	158.9	-176.5	-59.6	-177	135.6	0	0	110.1	S372 I403	S372-E401 WeakPolarHBondContact CA-OE2 3.15Å; S372-E401 VanDerWaalsContact CB-OE2 3.28Å; S372-E401 WeakPolarHBondContact CB-OE2 3.5Å; S372-E401 PolarHBondContact O-N 2.98Å; S372-E401 PolarHBondContact OG-OE2 3.15Å; E401-I403 PolarHBondContact O-N 2.86Å
402	P	90.4	Very high	90.8	Very high	62 Å²	62	19.8 Å²	19.8	40%	0.403	10%	0.099	S	C	.	.			trans	-61.7	134.1	176.2	-14.5	27.1	0	0	0	111.4	L484 P486 P534	P402-L484 CarbonylContact C-O 3.51Å; P402-L484 VanDerWaalsContact CA-O 3.29Å; P402-L484 WeakPolarHBondContact CA-O 3.32Å; P402-P486 HydrophobicContact CG-CG 4.31Å; P402-P534 HydrophobicContact CB-CG 4.04Å; P402-P534 WeakPolarHBondContact O-CD 3.42Å
403	I	92.6	Very high	91.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.2	177.3	-96.3	179	0	0	0	111.2	L369 V373 L399 E401 Q483 L484 L531	L369-I403 HydrophobicContact CD1-CD1 4.36Å; L369-I403 HydrophobicContact CD2-CD1 4.3Å; V373-I403 HydrophobicContact CG2-CD1 3.51Å; L399-I403 HydrophobicContact CD1-CB 4.09Å; L399-I403 HydrophobicContact CD1-CG2 4.5Å; L399-I403 HydrophobicContact CD2-CB 4.16Å; L399-I403 HydrophobicContact CD2-CD1 4.13Å; L399-I403 HydrophobicContact CD2-CG2 4.44Å; E401-I403 PolarHBondContact O-N 2.86Å; I403-Q483 VanDerWaalsContact C-NE2 3.29Å; I403-Q483 PolarHBondContact O-NE2 2.95Å; I403-Q483 VanDerWaalsContact O-NE2 3.16Å; I403-L484 PolarHBondContact N-O 2.81Å; I403-L484 WeakPolarHBondContact O-CB 3.15Å; I403-L484 PolarHBondContact O-N 2.83Å; I403-L531 HydrophobicContact CG2-CB 4.17Å; I403-L531 HydrophobicContact CG2-CD1 4.27Å; I403-L531 HydrophobicContact CG2-CD2 3.88Å; I403-L531 HydrophobicContact CG2-CG 4.33Å
404	K	92.1	Very high	91.3	Very high	58 Å²	58	21 Å²	21	25%	0.252	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.3	174.2	-175.8	-176.7	177.5	-167.8	0	109.2	N406 P481 L531 S532	K404-N406 WeakPolarHBondContact CE-OD1 3.48Å; K404-N406 PolarHBondContact O-ND2 2.89Å; K404-P481 HydrophobicContact CD-CB 4.43Å; K404-P481 HydrophobicContact CG-CB 4.01Å; K404-L531 WeakPolarHBondContact O-CA 3.5Å; K404-S532 PolarHBondContact N-O 2.87Å; K404-S532 PolarHBondContact O-N 2.81Å
405	L	93.7	Very high	91.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.7	171.7	171.8	62.2	0	0	0	109	I397 T407 L408 L438 P481 V482 L484 I491 M529 L531	I397-L405 HydrophobicContact CD1-CD2 4.16Å; L405-T407 WeakPolarHBondContact CD1-O 3.39Å; L405-L408 HydrophobicContact CD1-CB 4.47Å; L405-L438 HydrophobicContact CD2-CD1 3.89Å; L405-L438 HydrophobicContact CD2-CD2 4.45Å; L405-L438 HydrophobicContact CG-CD1 4.39Å; L405-L438 HydrophobicContact CG-CD2 4.11Å; L405-P481 CarbonylContact O-C 3.49Å; L405-P481 VanDerWaalsContact O-CA 3.29Å; L405-P481 WeakPolarHBondContact O-CA 3.43Å; L405-V482 PolarHBondContact N-O 2.78Å; L405-V482 PolarHBondContact O-N 2.84Å; L405-L484 HydrophobicContact CB-CD1 4.03Å; L405-L484 HydrophobicContact CB-CG 4.37Å; L405-L484 HydrophobicContact CD2-CD1 4.3Å; L405-I491 HydrophobicContact CD2-CD1 3.12Å; L405-M529 HydrophobicContact CD1-CB 4.15Å; L405-M529 HydrophobicContact CD1-CG 4.36Å; L405-M529 HydrophobicContact CD1-SD 4.5Å; L405-L531 HydrophobicContact CB-CD2 4.04Å; L405-L531 HydrophobicContact CD1-CD2 3.51Å; L405-L531 HydrophobicContact CG-CD2 4.36Å
406	N	92.9	Very high	91.1	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.032	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-47.7	-177.4	-54.5	-82.4	0	0	0	111.5	K404 L438 D440 R530 S532	K404-N406 WeakPolarHBondContact CE-OD1 3.48Å; K404-N406 PolarHBondContact O-ND2 2.89Å; N406-L438 WeakPolarHBondContact O-CD2 3.37Å; N406-D440 PolarHBondContact O-N 2.78Å; N406-R530 WeakPolarHBondContact CB-O 3.49Å; N406-R530 PolarHBondContact N-O 3.16Å; N406-R530 PolarHBondContact ND2-O 2.74Å; N406-S532 PolarHBondContact ND2-OG 3.1Å
407	T	94.9	Very high	90.9	Very high	27 Å²	27	23.8 Å²	23.8	17%	0.166	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.2	172.2	61.5	0	0	0	0	112.1	L405 L438 D440 M529 R530	L405-T407 WeakPolarHBondContact CD1-O 3.39Å; T407-L438 CarbonylContact C-O 3.6Å; T407-L438 VanDerWaalsContact CA-O 3.28Å; T407-L438 WeakPolarHBondContact CA-O 3.45Å; T407-D440 WeakPolarHBondContact CG2-OD1 3.44Å; T407-M529 CarbonylContact O-C 3.35Å; T407-M529 VanDerWaalsContact O-CA 3.3Å; T407-M529 WeakPolarHBondContact O-CA 3.44Å; T407-R530 VanDerWaalsContact CG2-NH1 3.33Å; T407-R530 PolarHBondContact O-N 2.91Å; T407-R530 WeakPolarHBondContact OG1-CB 3.31Å
408	L	95.3	Very high	90.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.8	162.1	165.9	64.9	0	0	0	108.3	V395 L405 V410 V437 L438 I491 A527 M529	V395-L408 HydrophobicContact CB-CD2 4.24Å; V395-L408 HydrophobicContact CG2-CD1 4.04Å; V395-L408 HydrophobicContact CG2-CD2 4.08Å; L405-L408 HydrophobicContact CD1-CB 4.47Å; L408-V410 HydrophobicContact CD1-CG2 4.44Å; L408-V437 HydrophobicContact CB-CB 4.5Å; L408-V437 HydrophobicContact CD2-CB 3.95Å; L408-V437 HydrophobicContact CD2-CG1 3.84Å; L408-V437 HydrophobicContact CG-CB 3.94Å; L408-V437 HydrophobicContact CG-CG1 4.4Å; L408-V437 HydrophobicContact CG-CG2 4.47Å; L408-V437 PolarHBondContact O-N 3.14Å; L408-L438 HydrophobicContact CB-CB 4.09Å; L408-L438 PolarHBondContact N-O 2.9Å; L408-L438 PolarHBondContact O-N 2.85Å; L408-I491 HydrophobicContact CD2-CB 4.08Å; L408-I491 HydrophobicContact CD2-CD1 4.44Å; L408-I491 HydrophobicContact CD2-CG2 3.68Å; L408-A527 HydrophobicContact CD1-CB 3.85Å; L408-M529 HydrophobicContact CB-CG 4.2Å; L408-M529 HydrophobicContact CD1-CG 3.38Å; L408-M529 HydrophobicContact CD1-SD 3.99Å; L408-M529 HydrophobicContact CG-CG 4.33Å
409	T	94.9	Very high	89.5	Confident	31 Å²	31	26 Å²	26	19%	0.19	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.9	174.2	-59.2	0	0	0	0	108.4	Y435 A527 S528	T409-Y435 CarbonylContact C-O 3.58Å; T409-Y435 WeakPolarHBondContact CA-O 3.5Å; T409-A527 CarbonylContact O-C 3.59Å; T409-A527 WeakPolarHBondContact O-CA 3.46Å; T409-S528 PolarHBondContact N-O 2.9Å; T409-S528 PolarHBondContact O-N 3.5Å
410	V	93.5	Very high	88.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.7	171.3	-179.9	0	0	0	0	108.2	L408 Y435 V437 F493 F495 V525 Y526 A527	L408-V410 HydrophobicContact CD1-CG2 4.44Å; V410-Y435 PolarHBondContact N-O 3.04Å; V410-Y435 PolarHBondContact O-N 3.39Å; V410-V437 HydrophobicContact CB-CG2 4.29Å; V410-V437 HydrophobicContact CG2-CG2 3.77Å; V410-F493 HydrophobicContact CG1-CD2 4.43Å; V410-F493 HydrophobicContact CG1-CE2 4.1Å; V410-F493 HydrophobicContact CG1-CZ 4.31Å; V410-F493 HydrophobicContact CG2-CD1 4.04Å; V410-F493 HydrophobicContact CG2-CD2 4.31Å; V410-F493 HydrophobicContact CG2-CE1 4.24Å; V410-F493 HydrophobicContact CG2-CG 4.07Å; V410-F493 HydrophobicContact CG2-CZ 4.47Å; V410-F495 HydrophobicContact CB-CE1 4.32Å; V410-F495 HydrophobicContact CG1-CD1 4.29Å; V410-F495 HydrophobicContact CG1-CE1 3.59Å; V410-F495 HydrophobicContact CG1-CZ 4.36Å; V410-V525 HydrophobicContact CG1-CG1 3.61Å; V410-Y526 WeakPolarHBondContact CA-O 3.38Å; V410-A527 HydrophobicContact CG2-CB 4.18Å
411	T	93	Very high	87.4	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.8	-176.2	-59.4	0	0	0	0	110	P432 I433 S434 V525 Y526	T411-P432 HydrophobicContact CG2-CB 3.77Å; T411-I433 CarbonylContact C-O 3.57Å; T411-I433 WeakPolarHBondContact CA-O 3.47Å; T411-S434 WeakPolarHBondContact CG2-OG 3.27Å; T411-S434 PolarHBondContact OG1-OG 3.07Å; T411-V525 WeakPolarHBondContact O-CA 3.42Å; T411-Y526 HydrophobicContact CG2-CE1 4.08Å; T411-Y526 HydrophobicContact CG2-CE2 4.27Å; T411-Y526 WeakPolarHBondContact CG2-OH 3.36Å; T411-Y526 PolarHBondContact N-O 2.85Å; T411-Y526 PolarHBondContact O-N 3.02Å
412	T	90.7	Very high	86	Confident	1 Å²	1	25 Å²	25	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117	166.3	-59.8	0	0	0	0	108.9	I433 F495 L497 Y523 Y524 V525	T412-I433 PolarHBondContact N-O 3.41Å; T412-I433 PolarHBondContact O-N 3.48Å; T412-F495 WeakPolarHBondContact OG1-CE2 3.29Å; T412-F495 WeakPolarHBondContact OG1-CZ 3.13Å; T412-L497 HydrophobicContact CG2-CD1 4.44Å; T412-Y523 HydrophobicContact CG2-CD1 3.82Å; T412-Y523 HydrophobicContact CG2-CG 4.44Å; T412-Y524 CarbonylContact C-O 3.59Å; T412-Y524 VanDerWaalsContact CA-O 3.26Å; T412-Y524 WeakPolarHBondContact CA-O 3.31Å; T412-V525 HydrophobicContact CG2-CG2 4.27Å
413	E	90.4	Very high	84.4	Confident	24 Å²	24	30 Å²	30	11%	0.112	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.7	175	-173.6	-173.5	-156	0	0	109.3	I415 R430 I431 Y523 Y524 Y526 N546	E413-I415 HydrophobicContact CG-CD1 4.27Å; E413-I415 HydrophobicContact CG-CG1 3.87Å; E413-I415 PolarHBondContact O-N 2.81Å; E413-R430 HydrophobicContact CG-CB 4.41Å; E413-R430 WeakPolarHBondContact OE1-CD 3.39Å; E413-R430 IonicContact OE1-NH1 2.79Å; E413-I431 WeakPolarHBondContact CA-O 3.23Å; E413-Y523 WeakPolarHBondContact O-CA 3.39Å; E413-Y524 PolarHBondContact N-O 3.23Å; E413-Y524 PolarHBondContact O-N 3.17Å; E413-Y526 HydrophobicContact CB-CE1 4.23Å; E413-N546 PolarHBondContact OE2-ND2 2.87Å
414	M	89.2	Confident	82.8	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.069	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123.8	166.3	-177.3	-158.4	-65.3	0	0	108.2	R430 I431 H521 Y523 L736	M414-R430 CarbonylContact O-C 3.49Å; M414-R430 VanDerWaalsContact O-CA 3.25Å; M414-R430 WeakPolarHBondContact O-CA 3.36Å; M414-I431 HydrophobicContact CB-CB 4.25Å; M414-I431 HydrophobicContact CE-CD1 4.23Å; M414-I431 PolarHBondContact N-O 2.82Å; M414-I431 PolarHBondContact O-N 3.3Å; M414-I431 HydrophobicContact SD-CD1 3.82Å; M414-I431 HydrophobicContact SD-CG1 4.35Å; M414-H521 WeakPolarHBondContact CG-NE2 3.45Å; M414-Y523 HydrophobicContact CB-CD1 3.79Å; M414-Y523 HydrophobicContact CB-CE1 3.62Å; M414-Y523 HydrophobicContact CE-CE1 4.02Å; M414-Y523 HydrophobicContact CG-CD1 4.15Å; M414-Y523 HydrophobicContact CG-CE1 3.64Å; M414-L736 HydrophobicContact SD-CD1 4.13Å
415	I	87	Confident	81.4	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	172.6	-59.7	-166.3	0	0	0	109.9	E413 K429 R430 H521 R522 Y524	E413-I415 HydrophobicContact CG-CD1 4.27Å; E413-I415 HydrophobicContact CG-CG1 3.87Å; E413-I415 PolarHBondContact O-N 2.81Å; I415-K429 WeakPolarHBondContact CA-O 3.43Å; I415-R430 HydrophobicContact CD1-CG 4.23Å; I415-R430 HydrophobicContact CG1-CB 4.46Å; I415-R430 HydrophobicContact CG1-CG 4.01Å; I415-R430 HydrophobicContact CG2-CG 4.44Å; I415-H521 WeakPolarHBondContact O-CA 3.46Å; I415-R522 HydrophobicContact CB-CG 4.48Å; I415-R522 PolarHBondContact N-O 3.22Å; I415-R522 PolarHBondContact O-N 3.2Å; I415-R522 VanDerWaalsContact O-O 3.13Å; I415-Y524 HydrophobicContact CD1-CD2 3.63Å; I415-Y524 HydrophobicContact CD1-CE2 3.82Å; I415-Y524 HydrophobicContact CG1-CD2 4.11Å
416	T	85.1	Confident	80.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.9	167.4	-54	0	0	0	0	109.1	M427 E428 K429 I520 H521 L736	T416-M427 HydrophobicContact CG2-CE 4.07Å; T416-E428 CarbonylContact O-C 3.59Å; T416-E428 WeakPolarHBondContact O-CA 3.49Å; T416-K429 PolarHBondContact N-O 2.84Å; T416-K429 PolarHBondContact O-N 3.08Å; T416-I520 CarbonylContact C-O 3.45Å; T416-I520 WeakPolarHBondContact CA-O 3.43Å; T416-H521 PolarHBondContact OG1-CD2 3.41Å; T416-H521 VanDerWaalsContact OG1-CD2 3.22Å; T416-L736 HydrophobicContact CG2-CD2 3.41Å; T416-L736 VanDerWaalsContact CG2-CD2 3.41Å; T416-L736 WeakPolarHBondContact OG1-CD2 3.29Å
417	K	83	Confident	79.4	Confident	65 Å²	65	46.6 Å²	46.6	28%	0.283	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.1	165.7	-161	-179.5	-174	-172.1	0	110.8	I419 M427 E428 I520	K417-I419 HydrophobicContact CD-CD1 4Å; K417-I419 HydrophobicContact CD-CG1 4.03Å; K417-I419 HydrophobicContact CG-CG1 4.17Å; K417-M427 CarbonylContact C-O 3.58Å; K417-M427 VanDerWaalsContact CA-O 3.31Å; K417-M427 WeakPolarHBondContact CA-O 3.48Å; K417-E428 HydrophobicContact CB-CG 4.39Å; K417-E428 WeakPolarHBondContact CD-OE2 3.43Å; K417-E428 HydrophobicContact CG-CB 4.26Å; K417-E428 HydrophobicContact CG-CG 4.27Å; K417-I520 HydrophobicContact CB-CB 4.29Å; K417-I520 PolarHBondContact N-O 3.32Å; K417-I520 PolarHBondContact O-N 3.05Å
418	T	77.4	Confident	78.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.9	172.3	-56.1	0	0	0	0	107.4	D426 M427 V517 E518 I621	T418-D426 VanDerWaalsContact O-CA 3.32Å; T418-D426 WeakPolarHBondContact O-CA 3.4Å; T418-M427 PolarHBondContact N-O 3.42Å; T418-M427 PolarHBondContact O-N 2.87Å; T418-V517 HydrophobicContact CG2-CG1 3.43Å; T418-V517 VanDerWaalsContact CG2-CG1 3.43Å; T418-E518 CarbonylContact C-O 3.48Å; T418-E518 WeakPolarHBondContact CA-O 3.41Å; T418-I621 HydrophobicContact CG2-CG2 3.56Å
419	I	71.8	Confident	78.2	Confident	50 Å²	50	52.5 Å²	52.5	26%	0.256	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.5	177.4	-57.8	177.6	0	0	0	108.6	K417 D426 V517 E518	K417-I419 HydrophobicContact CD-CD1 4Å; K417-I419 HydrophobicContact CD-CG1 4.03Å; K417-I419 HydrophobicContact CG-CG1 4.17Å; I419-D426 WeakPolarHBondContact CA-OD1 3.28Å; I419-D426 WeakPolarHBondContact CG2-OD2 3.46Å; I419-V517 CarbonylContact O-C 3.47Å; I419-V517 WeakPolarHBondContact O-CA 3.38Å; I419-V517 VanDerWaalsContact O-CG1 3.26Å; I419-V517 WeakPolarHBondContact O-CG1 3.45Å; I419-E518 HydrophobicContact CB-CB 4.21Å; I419-E518 PolarHBondContact N-O 3.1Å; I419-E518 PolarHBondContact O-N 3.29Å
420	S	71.3	Confident	77.8	Confident	11 Å²	11	57.6 Å²	57.6	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.8	-175.5	62.9	0	0	0	0	112.3	D422 E423 Q425 D426	S420-D422 PolarHBondContact O-N 3.29Å; S420-E423 WeakPolarHBondContact O-CA 3.42Å; S420-E423 PolarHBondContact O-N 3.28Å; S420-Q425 PolarHBondContact OG-N 3.48Å; S420-D426 PolarHBondContact N-OD1 2.94Å; S420-D426 PolarHBondContact OG-OD1 2.88Å
421	S	64.7	Low	77.4	Confident	60 Å²	60	60.2 Å²	60.2	42%	0.42	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.3	176.6	64.3	0	0	0	0	115	K514 H515 E516	S421-K514 PolarHBondContact OG-O 3.07Å; S421-H515 WeakPolarHBondContact OG-CA 3.2Å; S421-E516 WeakPolarHBondContact CB-O 3.46Å; S421-E516 PolarHBondContact N-O 3.41Å; S421-E516 PolarHBondContact OG-N 3.15Å; S421-E516 PolarHBondContact OG-O 3.14Å
422	D	62.8	Low	77.2	Confident	102 Å²	102	63.8 Å²	63.8	55%	0.545	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	175.5	-79.1	10.1	0	0	0	112.7	S420 K424	S420-D422 PolarHBondContact O-N 3.29Å; D422-K424 WeakPolarHBondContact O-CG 3.44Å; D422-K424 PolarHBondContact O-N 2.7Å
423	E	56.2	Low	77.1	Confident	168 Å²	168	64.7 Å²	64.7	79%	0.785	32%	0.316	S	S	*	.	S	Bend	trans	55	-6.9	-177.6	-62.5	-176.8	158.5	0	0	116.7	S420	S420-E423 WeakPolarHBondContact O-CA 3.42Å; S420-E423 PolarHBondContact O-N 3.28Å
424	K	59.5	Low	77.1	Confident	183 Å²	183	67 Å²	67	80%	0.796	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.2	-169.7	-74.7	157.5	-172.3	165.2	0	115.3	D422	D422-K424 WeakPolarHBondContact O-CG 3.44Å; D422-K424 PolarHBondContact O-N 2.7Å
425	Q	62.1	Low	77.3	Confident	99 Å²	99	68.6 Å²	68.6	46%	0.463	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	46.4	-179.2	-66.2	-158.9	-27	0	0	111.9	S420 G623	S420-Q425 PolarHBondContact OG-N 3.48Å; Q425-G623 VanDerWaalsContact OE1-CA 3.3Å
426	D	69.7	Low	77.6	Confident	77 Å²	77	71 Å²	71	41%	0.412	36%	0.355	S	S	.	.			trans	-69.8	138.6	165.9	-83.1	32.7	0	0	0	110.6	T418 I419 S420	T418-D426 VanDerWaalsContact O-CA 3.32Å; T418-D426 WeakPolarHBondContact O-CA 3.4Å; I419-D426 WeakPolarHBondContact CA-OD1 3.28Å; I419-D426 WeakPolarHBondContact CG2-OD2 3.46Å; S420-D426 PolarHBondContact N-OD1 2.94Å; S420-D426 PolarHBondContact OG-OD1 2.88Å
427	M	75.4	Confident	78	Confident	53 Å²	53	71.5 Å²	71.5	26%	0.261	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127.7	-178.1	-176.5	-175	78	0	0	109	T416 K417 T418	T416-M427 HydrophobicContact CG2-CE 4.07Å; K417-M427 CarbonylContact C-O 3.58Å; K417-M427 VanDerWaalsContact CA-O 3.31Å; K417-M427 WeakPolarHBondContact CA-O 3.48Å; T418-M427 PolarHBondContact N-O 3.42Å; T418-M427 PolarHBondContact O-N 2.87Å
428	E	82	Confident	78.5	Confident	94 Å²	94	68.4 Å²	68.4	44%	0.439	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.4	165.5	-165.9	171.5	133.6	0	0	109.1	T416 K417 R430	T416-E428 CarbonylContact O-C 3.59Å; T416-E428 WeakPolarHBondContact O-CA 3.49Å; K417-E428 HydrophobicContact CB-CG 4.39Å; K417-E428 WeakPolarHBondContact CD-OE2 3.43Å; K417-E428 HydrophobicContact CG-CB 4.26Å; K417-E428 HydrophobicContact CG-CG 4.27Å; E428-R430 IonicContact OE1-CZ 3.44Å; E428-R430 VanDerWaalsContact OE1-CZ 3.23Å; E428-R430 IonicContact OE1-NE 2.78Å; E428-R430 PolarHBondContact OE1-NE 2.97Å; E428-R430 IonicContact OE1-NH2 3.77Å; E428-R430 PolarHBondContact OE1-NH2 3Å
429	K	82.5	Confident	79.3	Confident	58 Å²	58	68.8 Å²	68.8	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.9	177.4	-170.2	-172.8	-172.4	-172.5	0	108.6	I415 T416 I431 E737	I415-K429 WeakPolarHBondContact CA-O 3.43Å; T416-K429 PolarHBondContact N-O 2.84Å; T416-K429 PolarHBondContact O-N 3.08Å; K429-I431 HydrophobicContact CD-CD1 4.34Å; K429-I431 HydrophobicContact CD-CG1 4.47Å; K429-I431 HydrophobicContact CG-CG1 4.43Å; K429-E737 IonicContact NZ-OE1 3.24Å; K429-E737 PolarHBondContact NZ-OE1 2.9Å; K429-E737 IonicContact NZ-OE2 3.49Å; K429-E737 PolarHBondContact NZ-OE2 2.69Å
430	R	86.3	Confident	80.1	Confident	138 Å²	138	69.1 Å²	69.1	52%	0.521	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.8	174.5	-50.3	-162.2	-171.2	-177.6	2.4	110.3	E413 M414 I415 E428	E413-R430 HydrophobicContact CG-CB 4.41Å; E413-R430 WeakPolarHBondContact OE1-CD 3.39Å; E413-R430 IonicContact OE1-NH1 2.79Å; M414-R430 CarbonylContact O-C 3.49Å; M414-R430 VanDerWaalsContact O-CA 3.25Å; M414-R430 WeakPolarHBondContact O-CA 3.36Å; I415-R430 HydrophobicContact CD1-CG 4.23Å; I415-R430 HydrophobicContact CG1-CB 4.46Å; I415-R430 HydrophobicContact CG1-CG 4.01Å; I415-R430 HydrophobicContact CG2-CG 4.44Å; E428-R430 IonicContact OE1-CZ 3.44Å; E428-R430 VanDerWaalsContact OE1-CZ 3.23Å; E428-R430 IonicContact OE1-NE 2.78Å; E428-R430 PolarHBondContact OE1-NE 2.97Å; E428-R430 IonicContact OE1-NH2 3.77Å; E428-R430 PolarHBondContact OE1-NH2 3Å
431	I	85.4	Confident	81	Confident	55 Å²	55	71.5 Å²	71.5	28%	0.282	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	108	178.4	-45.4	-179.7	0	0	0	108.6	E413 M414 K429 I433	E413-I431 WeakPolarHBondContact CA-O 3.23Å; M414-I431 HydrophobicContact CB-CB 4.25Å; M414-I431 HydrophobicContact CE-CD1 4.23Å; M414-I431 PolarHBondContact N-O 2.82Å; M414-I431 PolarHBondContact O-N 3.3Å; M414-I431 HydrophobicContact SD-CD1 3.82Å; M414-I431 HydrophobicContact SD-CG1 4.35Å; K429-I431 HydrophobicContact CD-CD1 4.34Å; K429-I431 HydrophobicContact CD-CG1 4.47Å; K429-I431 HydrophobicContact CG-CG1 4.43Å; I431-I433 HydrophobicContact CG2-CG1 4.47Å
432	P	89.4	Confident	81.9	Confident	79 Å²	79	74.4 Å²	74.4	51%	0.513	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125	173.6	32.1	-31.1	0	0	0	111.1	T411	T411-P432 HydrophobicContact CG2-CB 3.77Å
433	I	88	Confident	82.9	Confident	21 Å²	21	73.6 Å²	73.6	11%	0.108	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.5	176.1	-52.6	155.4	0	0	0	107.3	T411 T412 I431 Y435 E498	T411-I433 CarbonylContact C-O 3.57Å; T411-I433 WeakPolarHBondContact CA-O 3.47Å; T412-I433 PolarHBondContact N-O 3.41Å; T412-I433 PolarHBondContact O-N 3.48Å; I431-I433 HydrophobicContact CG2-CG1 4.47Å; I433-Y435 HydrophobicContact CB-CE2 4.37Å; I433-Y435 HydrophobicContact CG2-CE2 3.63Å; I433-Y435 WeakPolarHBondContact CG2-OH 3.47Å; I433-E498 HydrophobicContact CD1-CG 4.3Å; I433-E498 WeakPolarHBondContact CD1-OE2 3.42Å
434	S	91.2	Very high	84.3	Confident	71 Å²	71	69.4 Å²	69.4	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.2	-166.4	-69.3	0	0	0	0	112.7	T411	T411-S434 WeakPolarHBondContact CG2-OG 3.27Å; T411-S434 PolarHBondContact OG1-OG 3.07Å
435	Y	91.8	Very high	85.2	Confident	49 Å²	49	61.2 Å²	61.2	19%	0.192	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.7	179.4	-61.5	-85.3	0	0	0	110.7	T409 V410 I433 V437 F495 P496	T409-Y435 CarbonylContact C-O 3.58Å; T409-Y435 WeakPolarHBondContact CA-O 3.5Å; V410-Y435 PolarHBondContact N-O 3.04Å; V410-Y435 PolarHBondContact O-N 3.39Å; I433-Y435 HydrophobicContact CB-CE2 4.37Å; I433-Y435 HydrophobicContact CG2-CE2 3.63Å; I433-Y435 WeakPolarHBondContact CG2-OH 3.47Å; Y435-V437 PolarHBondContact O-N 3.32Å; Y435-F495 HydrophobicContact CD1-CB 3.72Å; Y435-F495 HydrophobicContact CD1-CG 4.42Å; Y435-F495 HydrophobicContact CD2-CB 3.83Å; Y435-F495 HydrophobicContact CD2-CD1 4.28Å; Y435-F495 AromaticContact CD2-CD2 3.44Å; Y435-F495 HydrophobicContact CD2-CD2 3.44Å; Y435-F495 VanDerWaalsContact CD2-CD2 3.44Å; Y435-F495 AromaticContact CD2-CE2 3.99Å; Y435-F495 HydrophobicContact CD2-CE2 3.99Å; Y435-F495 AromaticContact CD2-CG 3.6Å; Y435-F495 HydrophobicContact CD2-CG 3.6Å; Y435-F495 HydrophobicContact CE1-CB 4.24Å; Y435-F495 HydrophobicContact CE2-CB 4.33Å; Y435-F495 AromaticContact CE2-CD2 3.43Å; Y435-F495 HydrophobicContact CE2-CD2 3.43Å; Y435-F495 VanDerWaalsContact CE2-CD2 3.43Å; Y435-F495 AromaticContact CE2-CE2 3.92Å; Y435-F495 HydrophobicContact CE2-CE2 3.92Å; Y435-F495 HydrophobicContact CE2-CG 4.06Å; Y435-F495 HydrophobicContact CG-CB 3.5Å; Y435-F495 VanDerWaalsContact CG-CB 3.5Å; Y435-F495 HydrophobicContact CG-CD2 4.05Å; Y435-F495 AromaticContact CG-CG 3.81Å; Y435-F495 HydrophobicContact CG-CG 3.81Å; Y435-P496 HydrophobicContact CE1-CG 4.12Å; Y435-P496 VanDerWaalsContact CZ-O 3.26Å; Y435-P496 PolarHBondContact OH-O 3.5Å
436	T	93.7	Very high	86.2	Confident	58 Å²	58	63.9 Å²	63.9	36%	0.356	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.4	175	-53.2	0	0	0	0	110.1	T439 P477	T436-T439 HydrophobicContact CG2-CG2 4Å; T436-P477 HydrophobicContact CG2-CB 4.09Å
437	V	93.2	Very high	87	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-34.2	178.2	-179.9	0	0	0	0	111.2	L408 V410 Y435 P477 F478 I491 F493	L408-V437 HydrophobicContact CB-CB 4.5Å; L408-V437 HydrophobicContact CD2-CB 3.95Å; L408-V437 HydrophobicContact CD2-CG1 3.84Å; L408-V437 HydrophobicContact CG-CB 3.94Å; L408-V437 HydrophobicContact CG-CG1 4.4Å; L408-V437 HydrophobicContact CG-CG2 4.47Å; L408-V437 PolarHBondContact O-N 3.14Å; V410-V437 HydrophobicContact CB-CG2 4.29Å; V410-V437 HydrophobicContact CG2-CG2 3.77Å; Y435-V437 PolarHBondContact O-N 3.32Å; V437-P477 CarbonylContact O-C 3.59Å; V437-P477 VanDerWaalsContact O-CA 3.31Å; V437-P477 WeakPolarHBondContact O-CA 3.3Å; V437-F478 HydrophobicContact CG1-CD2 4.34Å; V437-F478 WeakPolarHBondContact O-CD2 3.41Å; V437-F478 PolarHBondContact O-N 3.07Å; V437-I491 HydrophobicContact CG1-CG2 4.24Å; V437-F493 HydrophobicContact CB-CB 4.41Å; V437-F493 HydrophobicContact CG1-CB 3.79Å; V437-F493 HydrophobicContact CG2-CB 3.64Å; V437-F493 HydrophobicContact CG2-CG 4.5Å
438	L	94.2	Very high	87.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138	174.3	-175.6	155.2	0	0	0	109.1	F344 L405 N406 T407 L408 F478 V482	F344-L438 HydrophobicContact CE2-CD1 3.83Å; F344-L438 HydrophobicContact CZ-CD1 4.13Å; L405-L438 HydrophobicContact CD2-CD1 3.89Å; L405-L438 HydrophobicContact CD2-CD2 4.45Å; L405-L438 HydrophobicContact CG-CD1 4.39Å; L405-L438 HydrophobicContact CG-CD2 4.11Å; N406-L438 WeakPolarHBondContact O-CD2 3.37Å; T407-L438 CarbonylContact C-O 3.6Å; T407-L438 VanDerWaalsContact CA-O 3.28Å; T407-L438 WeakPolarHBondContact CA-O 3.45Å; L408-L438 HydrophobicContact CB-CB 4.09Å; L408-L438 PolarHBondContact N-O 2.9Å; L408-L438 PolarHBondContact O-N 2.85Å; L438-F478 WeakPolarHBondContact CA-O 3.17Å; L438-F478 HydrophobicContact CB-CB 4.09Å; L438-F478 HydrophobicContact CD1-CB 4.1Å; L438-F478 HydrophobicContact CG-CB 4Å; L438-V482 HydrophobicContact CD1-CB 4.43Å; L438-V482 HydrophobicContact CD1-CG2 3.87Å
439	T	93.6	Very high	87.5	Confident	9 Å²	9	60.4 Å²	60.4	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.7	-176.9	-176.6	0	0	0	0	114	T436 D441 L444 P477 F478 G480	T436-T439 HydrophobicContact CG2-CG2 4Å; T439-D441 HydrophobicContact CG2-CB 4.49Å; T439-D441 WeakPolarHBondContact OG1-CB 3.39Å; T439-D441 PolarHBondContact OG1-N 2.97Å; T439-D441 VanDerWaalsContact OG1-N 3.11Å; T439-L444 HydrophobicContact CG2-CB 3.72Å; T439-P477 HydrophobicContact CG2-CB 4.23Å; T439-P477 HydrophobicContact CG2-CG 4.25Å; T439-F478 PolarHBondContact N-O 3.01Å; T439-G480 WeakPolarHBondContact O-CA 3.27Å; T439-G480 PolarHBondContact O-N 3.1Å
440	D	90	Very high	87.4	Confident	57 Å²	57	59.6 Å²	59.6	31%	0.305	32%	0.321	S	S	.	.	S	Bend	trans	-80.2	-0.2	170.3	59.3	-34.2	0	0	0	113.8	N406 T407 P442 R530	N406-D440 PolarHBondContact O-N 2.78Å; T407-D440 WeakPolarHBondContact CG2-OD1 3.44Å; D440-P442 WeakPolarHBondContact O-CD 3.22Å; D440-R530 IonicContact OD1-CZ 3.11Å; D440-R530 IonicContact OD1-NH1 3.38Å; D440-R530 PolarHBondContact OD1-NH1 3.02Å; D440-R530 IonicContact OD1-NH2 3.16Å; D440-R530 IonicContact OD2-CZ 2.65Å; D440-R530 IonicContact OD2-NH1 3.08Å; D440-R530 PolarHBondContact OD2-NH1 2.84Å; D440-R530 VanDerWaalsContact OD2-NH1 3.16Å; D440-R530 IonicContact OD2-NH2 2.56Å; D440-R530 PolarHBondContact OD2-NH2 2.84Å
441	D	90.4	Very high	86.8	Confident	60 Å²	60	62.3 Å²	62.3	32%	0.321	33%	0.331	S	S	.	.			trans	-79.4	113	170.1	-174.7	-22.4	0	0	0	111.3	T439 S443 L444 G445	T439-D441 HydrophobicContact CG2-CB 4.49Å; T439-D441 WeakPolarHBondContact OG1-CB 3.39Å; T439-D441 PolarHBondContact OG1-N 2.97Å; T439-D441 VanDerWaalsContact OG1-N 3.11Å; D441-S443 VanDerWaalsContact CG-OG 3.3Å; D441-S443 PolarHBondContact O-N 3.13Å; D441-S443 WeakPolarHBondContact OD1-CA 3.24Å; D441-S443 VanDerWaalsContact OD1-CB 3.29Å; D441-S443 WeakPolarHBondContact OD1-CB 3.39Å; D441-S443 PolarHBondContact OD1-N 3.46Å; D441-S443 PolarHBondContact OD1-OG 2.82Å; D441-S443 PolarHBondContact OD2-OG 2.95Å; D441-L444 HydrophobicContact CB-CB 4.24Å; D441-L444 HydrophobicContact CB-CD1 4.12Å; D441-L444 HydrophobicContact CB-CG 4.23Å; D441-L444 PolarHBondContact O-N 3.06Å; D441-G445 PolarHBondContact O-N 3.07Å
442	P	81.7	Confident	86.2	Confident	122 Å²	122	66.3 Å²	66.3	79%	0.792	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.7	-178.2	31.9	-37	0	0	0	114	D440	D440-P442 WeakPolarHBondContact O-CD 3.22Å
443	S	85	Confident	85.2	Confident	84 Å²	84	63 Å²	63	59%	0.587	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-24.1	172.7	75.9	0	0	0	0	112.7	D441	D441-S443 VanDerWaalsContact CG-OG 3.3Å; D441-S443 PolarHBondContact O-N 3.13Å; D441-S443 WeakPolarHBondContact OD1-CA 3.24Å; D441-S443 VanDerWaalsContact OD1-CB 3.29Å; D441-S443 WeakPolarHBondContact OD1-CB 3.39Å; D441-S443 PolarHBondContact OD1-N 3.46Å; D441-S443 PolarHBondContact OD1-OG 2.82Å; D441-S443 PolarHBondContact OD2-OG 2.95Å
444	L	84.2	Confident	84.2	Confident	81 Å²	81	64.8 Å²	64.8	42%	0.424	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-42.7	-177.9	-64.4	179.8	0	0	0	112.4	T439 D441 K446 P477	T439-L444 HydrophobicContact CG2-CB 3.72Å; D441-L444 HydrophobicContact CB-CB 4.24Å; D441-L444 HydrophobicContact CB-CD1 4.12Å; D441-L444 HydrophobicContact CB-CG 4.23Å; D441-L444 PolarHBondContact O-N 3.06Å; L444-K446 PolarHBondContact O-N 3.5Å; L444-P477 VanDerWaalsContact O-CG 3.25Å; L444-P477 WeakPolarHBondContact O-CG 3.37Å
445	G	80.4	Confident	82.8	Confident	11 Å²	11	64 Å²	64	11%	0.113	33%	0.329	C	S	.	.			trans	-63.4	117.7	-178.8	0	0	0	0	0	112.4	D441	D441-G445 PolarHBondContact O-N 3.07Å
446	K	81.9	Confident	81.2	Confident	154 Å²	154	69.7 Å²	69.7	67%	0.67	36%	0.358	S	S	*	.			trans	-127	-15.2	-175.2	-72.8	168.5	-172.4	173.5	0	114.3	L444 P477	L444-K446 PolarHBondContact O-N 3.5Å; K446-P477 PolarHBondContact N-O 3.19Å
447	R	86.1	Confident	79.8	Confident	33 Å²	33	69.1 Å²	69.1	13%	0.125	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-110.9	130.7	-175.7	-164.7	151.2	130.5	-125.5	15	109.6	E459 P473 C474 S476 P477 F478 I479	R447-E459 IonicContact CZ-OE1 3.87Å; R447-E459 IonicContact NH2-OE1 3.37Å; R447-E459 PolarHBondContact NH2-OE1 3.14Å; R447-P473 WeakPolarHBondContact CD-O 3.25Å; R447-C474 PolarHBondContact NH1-O 3.35Å; R447-S476 PolarHBondContact NH1-O 3.4Å; R447-P477 WeakPolarHBondContact CB-O 3.37Å; R447-P477 PolarHBondContact N-O 2.87Å; R447-F478 HydrophobicContact CB-CD1 4.03Å; R447-F478 HydrophobicContact CB-CE1 4.42Å; R447-F478 HydrophobicContact CG-CD1 3.89Å; R447-F478 HydrophobicContact CG-CE1 3.77Å; R447-F478 CarbonylContact O-C 3.55Å; R447-F478 VanDerWaalsContact O-CA 3.23Å; R447-F478 WeakPolarHBondContact O-CA 3.11Å; R447-I479 PolarHBondContact O-N 3.1Å
448	M	84.9	Confident	78.2	Confident	109 Å²	109	73.5 Å²	73.5	54%	0.537	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-70.1	137.4	175.5	-65.9	-66.7	-81.5	0	0	109.4	F340 I450 F478 I479	F340-M448 HydrophobicContact CE1-CE 3.71Å; F340-M448 HydrophobicContact CE1-SD 4.33Å; F340-M448 HydrophobicContact CZ-CE 4.06Å; F340-M448 HydrophobicContact CZ-SD 4.22Å; M448-I450 PolarHBondContact O-N 2.87Å; M448-F478 WeakPolarHBondContact O-CD1 3.41Å; M448-F478 WeakPolarHBondContact O-CE1 3.37Å; M448-I479 HydrophobicContact SD-CD1 3.89Å
449	P	83.9	Confident	76.8	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.058	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-50.7	134.8	171.5	-30	37.4	0	0	0	112	F340 H343 F344 I479 V482	F340-P449 HydrophobicContact CD1-CG 4.03Å; F340-P449 HydrophobicContact CD2-CG 4.46Å; F340-P449 HydrophobicContact CE1-CG 4.32Å; F340-P449 HydrophobicContact CG-CG 4.11Å; H343-P449 HydrophobicContact CB-CB 3.76Å; H343-P449 PolarHBondContact CD2-O 3.14Å; H343-P449 VanDerWaalsContact CD2-O 3.23Å; F344-P449 HydrophobicContact CE2-CB 3.84Å; F344-P449 HydrophobicContact CE2-CG 4.48Å; F344-P449 HydrophobicContact CZ-CB 3.93Å; P449-I479 VanDerWaalsContact CG-O 3.28Å; P449-I479 WeakPolarHBondContact CG-O 3.3Å; P449-V482 HydrophobicContact CB-CG2 4.34Å; P449-V482 HydrophobicContact CG-CG2 3.69Å
450	I	80.7	Confident	75.3	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.215	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-79.7	138.3	177	55.2	175.9	0	0	0	110.3	F344 M448 F453 F478 P492	F344-I450 HydrophobicContact CD1-CD1 4.35Å; F344-I450 HydrophobicContact CD1-CG1 3.65Å; F344-I450 HydrophobicContact CE1-CG1 3.73Å; F344-I450 PolarHBondContact N-O 3.44Å; M448-I450 PolarHBondContact O-N 2.87Å; I450-F453 HydrophobicContact CD1-CB 3.82Å; I450-F453 HydrophobicContact CD1-CD2 4.05Å; I450-F453 HydrophobicContact CD1-CG 4.39Å; I450-F478 HydrophobicContact CG2-CE1 4.23Å; I450-P492 HydrophobicContact CD1-CG 3.79Å
451	R	74	Confident	73.8	Confident	195 Å²	195	78.8 Å²	78.8	74%	0.736	40%	0.404	S	S	*	.	S	Bend	trans	-71.3	-34	179.3	-73.4	-176.4	177.9	-176.4	-0.7	113.4	I345	I345-R451 PolarHBondContact N-O 3.21Å
452	K	71.4	Confident	72.4	Confident	139 Å²	139	78.4 Å²	78.4	60%	0.604	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-148.6	133.2	179.9	-179.5	-171.9	174	-164.5	0	108.5	I345	I345-K452 WeakPolarHBondContact O-CA 3.09Å
453	F	69	Low	71.4	Confident	9 Å²	9	75.8 Å²	75.8	4%	0.039	39%	0.385	C	S	.	.			trans	-93.6	145.1	175.8	172	-116.6	0	0	0	111.9	F381 V394 I450 C455 F460 A490 P492	F381-F453 HydrophobicContact CZ-CZ 4.39Å; V394-F453 HydrophobicContact CG2-CE1 3.62Å; V394-F453 HydrophobicContact CG2-CZ 3.75Å; I450-F453 HydrophobicContact CD1-CB 3.82Å; I450-F453 HydrophobicContact CD1-CD2 4.05Å; I450-F453 HydrophobicContact CD1-CG 4.39Å; F453-C455 VanDerWaalsContact CE1-SG 3.52Å; F453-C455 HydrophobicContact CZ-CB 4.42Å; F453-F460 HydrophobicContact CD2-CE2 4.4Å; F453-F460 AromaticContact CE2-CD2 3.82Å; F453-F460 HydrophobicContact CE2-CD2 3.82Å; F453-F460 AromaticContact CE2-CE2 3.63Å; F453-F460 HydrophobicContact CE2-CE2 3.63Å; F453-F460 HydrophobicContact CE2-CZ 4.26Å; F453-F460 HydrophobicContact CZ-CD2 4.46Å; F453-A490 HydrophobicContact CB-CB 4.23Å; F453-A490 HydrophobicContact CD1-CB 3.67Å; F453-A490 HydrophobicContact CE1-CB 4.48Å; F453-A490 HydrophobicContact CG-CB 4.26Å; F453-P492 HydrophobicContact CD2-CB 3.95Å; F453-P492 HydrophobicContact CD2-CG 3.77Å; F453-P492 HydrophobicContact CE2-CB 3.69Å; F453-P492 HydrophobicContact CE2-CG 4.01Å; F453-P492 HydrophobicContact CG-CG 4.43Å; F453-P492 HydrophobicContact CZ-CB 4.15Å
454	T	66.4	Low	70.3	Confident	58 Å²	58	72.9 Å²	72.9	36%	0.356	36%	0.364	S	S	.	.			trans	-139.2	130.2	167.4	59.3	0	0	0	0	112.1	Q456 E457	T454-Q456 PolarHBondContact O-N 3.15Å; T454-E457 WeakPolarHBondContact CA-OE1 3.46Å; T454-E457 PolarHBondContact N-OE1 3.15Å; T454-E457 PolarHBondContact O-N 3.34Å; T454-E457 VanDerWaalsContact O-N 3.12Å; T454-E457 VanDerWaalsContact O-OE1 3.13Å; T454-E457 PolarHBondContact OG1-OE1 3.21Å
455	C	62.6	Low	69.2	Low	54 Å²	54	71 Å²	71	37%	0.365	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	1.7	177.3	-51	0	0	0	0	114.8	F453	F453-C455 VanDerWaalsContact CE1-SG 3.52Å; F453-C455 HydrophobicContact CZ-CB 4.42Å
456	Q	58.5	Low	68.6	Low	169 Å²	169	76.2 Å²	76.2	79%	0.79	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.2	177.3	-63	-177.5	0.3	0	0	112.6	T454 I461	T454-Q456 PolarHBondContact O-N 3.15Å; Q456-I461 VanDerWaalsContact O-CD1 3.32Å; Q456-I461 WeakPolarHBondContact O-CD1 3.5Å
457	E	63.9	Low	67.7	Low	47 Å²	47	74.2 Å²	74.2	22%	0.22	37%	0.368	C	S	.	.	S	Bend	trans	-65.6	131.4	176.1	-78.5	151	-130	0	0	111.2	T454 E459 F460	T454-E457 WeakPolarHBondContact CA-OE1 3.46Å; T454-E457 PolarHBondContact N-OE1 3.15Å; T454-E457 PolarHBondContact O-N 3.34Å; T454-E457 VanDerWaalsContact O-N 3.12Å; T454-E457 VanDerWaalsContact O-OE1 3.13Å; T454-E457 PolarHBondContact OG1-OE1 3.21Å; E457-E459 PolarHBondContact O-N 2.62Å; E457-F460 HydrophobicContact CB-CD2 3.95Å; E457-F460 HydrophobicContact CB-CE2 4.27Å; E457-F460 PolarHBondContact O-N 3.13Å
458	P	60.8	Low	67.1	Low	102 Å²	102	73.7 Å²	73.7	66%	0.662	37%	0.369	S	S	*	.	H	α-helix	trans	-57.2	-26.1	-172.6	-29.4	36	0	0	0	115.7	F460 I461	P458-F460 PolarHBondContact O-N 2.95Å; P458-I461 PolarHBondContact O-N 3.04Å
459	E	62.9	Low	66.7	Low	46 Å²	46	73.1 Å²	73.1	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-20.2	177	68.3	-179.7	-133.5	0	0	113.2	R392 R447 E457 C474	R392-E459 PolarHBondContact NE-O 2.82Å; R392-E459 PolarHBondContact NH2-O 3.2Å; R447-E459 IonicContact CZ-OE1 3.87Å; R447-E459 IonicContact NH2-OE1 3.37Å; R447-E459 PolarHBondContact NH2-OE1 3.14Å; E457-E459 PolarHBondContact O-N 2.62Å; E459-C474 HydrophobicContact CB-CB 3.74Å; E459-C474 VanDerWaalsContact CD-CB 3.45Å; E459-C474 HydrophobicContact CG-CB 4.03Å; E459-C474 WeakPolarHBondContact OE2-CB 3.07Å
460	F	62.4	Low	66.3	Low	18 Å²	18	78.4 Å²	78.4	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-98.5	-12.2	174.9	-55.3	-69	0	0	0	114.7	F381 F453 E457 P458 P492	F381-F460 HydrophobicContact CE2-CB 4.22Å; F381-F460 AromaticContact CE2-CD1 4Å; F381-F460 HydrophobicContact CE2-CD1 4Å; F381-F460 HydrophobicContact CE2-CG 4.27Å; F453-F460 HydrophobicContact CD2-CE2 4.4Å; F453-F460 AromaticContact CE2-CD2 3.82Å; F453-F460 HydrophobicContact CE2-CD2 3.82Å; F453-F460 AromaticContact CE2-CE2 3.63Å; F453-F460 HydrophobicContact CE2-CE2 3.63Å; F453-F460 HydrophobicContact CE2-CZ 4.26Å; F453-F460 HydrophobicContact CZ-CD2 4.46Å; E457-F460 HydrophobicContact CB-CD2 3.95Å; E457-F460 HydrophobicContact CB-CE2 4.27Å; E457-F460 PolarHBondContact O-N 3.13Å; P458-F460 PolarHBondContact O-N 2.95Å; F460-P492 HydrophobicContact CE1-CB 3.79Å; F460-P492 HydrophobicContact CE2-CB 4.1Å; F460-P492 HydrophobicContact CE2-CG 4.41Å; F460-P492 HydrophobicContact CZ-CB 3.42Å; F460-P492 VanDerWaalsContact CZ-CB 3.42Å; F460-P492 HydrophobicContact CZ-CG 3.91Å
461	I	59.6	Low	66.3	Low	112 Å²	112	80.9 Å²	80.9	57%	0.574	42%	0.416	S	S	*	.	H	α-helix	trans	-88.8	-10.4	-179.1	-62.4	175	0	0	0	112	Q456 P458 S463	Q456-I461 VanDerWaalsContact O-CD1 3.32Å; Q456-I461 WeakPolarHBondContact O-CD1 3.5Å; P458-I461 PolarHBondContact O-N 3.04Å; I461-S463 PolarHBondContact O-N 3.14Å
462	Q	59.4	Low	66.7	Low	53 Å²	53	73.3 Å²	73.3	25%	0.248	39%	0.39	C	S	.	.	S	Bend	trans	-62.7	133	178.6	-53.7	-176	13.3	0	0	111.9	R392 D472	R392-Q462 PolarHBondContact NH1-O 2.96Å; R392-Q462 VanDerWaalsContact NH2-CD 3.33Å; Q462-D472 PolarHBondContact NE2-OD2 2.65Å
463	S	62.7	Low	67.1	Low	66 Å²	66	70.8 Å²	70.8	46%	0.462	39%	0.388	S	S	.	.			trans	-61.8	140.1	-178	-172.6	0	0	0	0	113.2	I461 V465 K466	I461-S463 PolarHBondContact O-N 3.14Å; S463-V465 PolarHBondContact O-N 3.15Å; S463-V465 VanDerWaalsContact O-N 3.15Å; S463-K466 PolarHBondContact O-N 3.26Å
464	P	61.8	Low	67.7	Low	23 Å²	23	70.5 Å²	70.5	15%	0.149	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.2	-178.5	28.9	-37.9	0	0	0	114.4	D382	D382-P464 HydrophobicContact CB-CB 4.2Å; D382-P464 HydrophobicContact CB-CG 4.16Å; D382-P464 WeakPolarHBondContact OD2-CD 3.38Å; D382-P464 WeakPolarHBondContact OD2-CG 3.19Å
465	V	60.6	Low	68.6	Low	41 Å²	41	69.3 Å²	69.3	25%	0.248	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.6	179.8	-58.9	0	0	0	0	114.5	V386 S463 Q767 S769	V386-V465 HydrophobicContact CG1-CG1 4.05Å; S463-V465 PolarHBondContact O-N 3.15Å; S463-V465 VanDerWaalsContact O-N 3.15Å; V465-Q767 HydrophobicContact CG1-CG 3.97Å; V465-S769 PolarHBondContact O-OG 2.82Å
466	K	66.5	Low	69.8	Low	122 Å²	122	68.4 Å²	68.4	53%	0.53	37%	0.371	S	S	.	.	S	Bend	trans	-91.4	139.5	175.3	-169.7	-171.2	173.1	-169.3	0	110.4	S463 V468	S463-K466 PolarHBondContact O-N 3.26Å; K466-V468 PolarHBondContact O-N 3.28Å
467	E	64.8	Low	71.4	Confident	112 Å²	112	61.3 Å²	61.3	52%	0.523	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-58.2	135.3	171.2	-173	174.8	-146.4	0	0	110.8	D771	E467-D771 HydrophobicContact CB-CB 4.32Å
468	V	71.9	Confident	72.8	Confident	22 Å²	22	59 Å²	59	13%	0.133	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-83.1	126.4	-176.8	172	0	0	0	0	111.4	G388 A390 K466 L470 F475 P496	G388-V468 VanDerWaalsContact O-CG2 3.27Å; G388-V468 WeakPolarHBondContact O-CG2 3.26Å; A390-V468 HydrophobicContact CB-CG2 3.46Å; A390-V468 VanDerWaalsContact CB-CG2 3.46Å; A390-V468 VanDerWaalsContact N-CG2 3.27Å; K466-V468 PolarHBondContact O-N 3.28Å; V468-L470 HydrophobicContact CG1-CD2 3.91Å; V468-L470 PolarHBondContact O-N 2.77Å; V468-F475 HydrophobicContact CB-CZ 4.45Å; V468-F475 HydrophobicContact CG1-CD2 4.04Å; V468-F475 HydrophobicContact CG1-CE1 3.98Å; V468-F475 HydrophobicContact CG1-CE2 3.39Å; V468-F475 HydrophobicContact CG1-CZ 3.36Å; V468-F475 HydrophobicContact CG2-CZ 4.26Å; V468-P496 HydrophobicContact CB-CB 4.44Å; V468-P496 HydrophobicContact CG1-CB 4.21Å
469	N	76.7	Confident	74.2	Confident	97 Å²	97	56.3 Å²	56.3	52%	0.519	31%	0.309	S	S	.	.			trans	-83.7	109.5	162.6	-179.4	16	0	0	0	110.1	S471 D472 F475	N469-S471 PolarHBondContact ND2-OG 2.79Å; N469-S471 PolarHBondContact O-N 3.46Å; N469-S471 VanDerWaalsContact O-N 3.16Å; N469-S471 WeakPolarHBondContact OD1-CB 3.31Å; N469-S471 PolarHBondContact OD1-N 3.25Å; N469-S471 PolarHBondContact OD1-OG 3.06Å; N469-D472 VanDerWaalsContact O-CB 3.23Å; N469-D472 WeakPolarHBondContact O-CB 3.43Å; N469-D472 PolarHBondContact O-N 2.87Å; N469-F475 WeakPolarHBondContact O-CD2 3.32Å; N469-F475 WeakPolarHBondContact O-CE2 3.34Å
470	L	76.9	Confident	75.4	Confident	119 Å²	119	54.7 Å²	54.7	62%	0.623	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.7	176.8	-57.6	177.3	0	0	0	113.9	V468 D472 P496	V468-L470 HydrophobicContact CG1-CD2 3.91Å; V468-L470 PolarHBondContact O-N 2.77Å; L470-D472 VanDerWaalsContact C-N 3.32Å; L470-P496 HydrophobicContact CD2-CB 3.99Å; L470-P496 HydrophobicContact CD2-CG 3.62Å
471	S	79.9	Confident	76.8	Confident	94 Å²	94	56 Å²	56	66%	0.657	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.1	171.9	100.7	0	0	0	0	113.8	N469	N469-S471 PolarHBondContact ND2-OG 2.79Å; N469-S471 PolarHBondContact O-N 3.46Å; N469-S471 VanDerWaalsContact O-N 3.16Å; N469-S471 WeakPolarHBondContact OD1-CB 3.31Å; N469-S471 PolarHBondContact OD1-N 3.25Å; N469-S471 PolarHBondContact OD1-OG 3.06Å
472	D	81.7	Confident	78.2	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.193	29%	0.287	C	S	.	.	S	Bend	trans	-72	125.4	174.4	-175.8	-32.7	0	0	0	109.2	Q462 N469 L470 C474 F475	Q462-D472 PolarHBondContact NE2-OD2 2.65Å; N469-D472 VanDerWaalsContact O-CB 3.23Å; N469-D472 WeakPolarHBondContact O-CB 3.43Å; N469-D472 PolarHBondContact O-N 2.87Å; L470-D472 VanDerWaalsContact C-N 3.32Å; D472-C474 PolarHBondContact O-N 2.99Å; D472-C474 PolarHBondContact OD1-N 3.38Å; D472-C474 VanDerWaalsContact OD1-N 3.1Å; D472-C474 PolarHBondContact OD1-SG 2.82Å; D472-F475 HydrophobicContact CB-CD2 3.87Å; D472-F475 HydrophobicContact CB-CE2 3.87Å; D472-F475 PolarHBondContact O-N 3.1Å
473	P	80.3	Confident	79.7	Confident	87 Å²	87	50 Å²	50	57%	0.565	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-54.3	-22.3	-177.8	-28.9	36.3	0	0	0	115.4	R447 F475 S476	R447-P473 WeakPolarHBondContact CD-O 3.25Å; P473-F475 PolarHBondContact O-N 3Å; P473-S476 WeakPolarHBondContact O-CB 3.49Å; P473-S476 PolarHBondContact O-N 3.37Å
474	C	80.6	Confident	81.1	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64	-21.7	-179.7	69.9	0	0	0	0	114	R447 E459 D472	R447-C474 PolarHBondContact NH1-O 3.35Å; E459-C474 HydrophobicContact CB-CB 3.74Å; E459-C474 VanDerWaalsContact CD-CB 3.45Å; E459-C474 HydrophobicContact CG-CB 4.03Å; E459-C474 WeakPolarHBondContact OE2-CB 3.07Å; D472-C474 PolarHBondContact O-N 2.99Å; D472-C474 PolarHBondContact OD1-N 3.38Å; D472-C474 VanDerWaalsContact OD1-N 3.1Å; D472-C474 PolarHBondContact OD1-SG 2.82Å
475	F	85.7	Confident	82.4	Confident	33 Å²	33	46.9 Å²	46.9	15%	0.145	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-87.7	-5.1	174.2	-56.4	-67.8	0	0	0	114.1	A390 V468 N469 D472 P473 A494	A390-F475 HydrophobicContact CB-CE1 3.75Å; A390-F475 HydrophobicContact CB-CZ 3.75Å; V468-F475 HydrophobicContact CB-CZ 4.45Å; V468-F475 HydrophobicContact CG1-CD2 4.04Å; V468-F475 HydrophobicContact CG1-CE1 3.98Å; V468-F475 HydrophobicContact CG1-CE2 3.39Å; V468-F475 HydrophobicContact CG1-CZ 3.36Å; V468-F475 HydrophobicContact CG2-CZ 4.26Å; N469-F475 WeakPolarHBondContact O-CD2 3.32Å; N469-F475 WeakPolarHBondContact O-CE2 3.34Å; D472-F475 HydrophobicContact CB-CD2 3.87Å; D472-F475 HydrophobicContact CB-CE2 3.87Å; D472-F475 PolarHBondContact O-N 3.1Å; P473-F475 PolarHBondContact O-N 3Å; F475-A494 HydrophobicContact CD1-CB 4.06Å; F475-A494 WeakPolarHBondContact CD1-O 3.33Å; F475-A494 HydrophobicContact CE1-CB 3.74Å; F475-A494 HydrophobicContact CZ-CB 4.48Å
476	S	88.4	Confident	83.7	Confident	35 Å²	35	48.6 Å²	48.6	25%	0.245	28%	0.276	C	S	.	.	S	Bend	trans	-88.1	137.1	175.7	-70.8	0	0	0	0	111.3	R447 P473	R447-S476 PolarHBondContact NH1-O 3.4Å; P473-S476 WeakPolarHBondContact O-CB 3.49Å; P473-S476 PolarHBondContact O-N 3.37Å
477	P	92.1	Very high	84.7	Confident	20 Å²	20	44.4 Å²	44.4	13%	0.13	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.2	149.4	-176.6	28.8	-35.5	0	0	0	112.4	T436 V437 T439 L444 K446 R447	T436-P477 HydrophobicContact CG2-CB 4.09Å; V437-P477 CarbonylContact O-C 3.59Å; V437-P477 VanDerWaalsContact O-CA 3.31Å; V437-P477 WeakPolarHBondContact O-CA 3.3Å; T439-P477 HydrophobicContact CG2-CB 4.23Å; T439-P477 HydrophobicContact CG2-CG 4.25Å; L444-P477 VanDerWaalsContact O-CG 3.25Å; L444-P477 WeakPolarHBondContact O-CG 3.37Å; K446-P477 PolarHBondContact N-O 3.19Å; R447-P477 WeakPolarHBondContact CB-O 3.37Å; R447-P477 PolarHBondContact N-O 2.87Å
478	F	92.3	Very high	85.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.2	169.3	-66.6	-71.5	0	0	0	111.6	F344 V437 L438 T439 R447 M448 I450 I491 P492	F344-F478 HydrophobicContact CE1-CD1 4.29Å; F344-F478 HydrophobicContact CE1-CD2 4.01Å; F344-F478 HydrophobicContact CE1-CE1 4.11Å; F344-F478 AromaticContact CE1-CE2 3.82Å; F344-F478 HydrophobicContact CE1-CE2 3.82Å; F344-F478 HydrophobicContact CE1-CG 4.24Å; F344-F478 AromaticContact CE1-CZ 3.87Å; F344-F478 HydrophobicContact CE1-CZ 3.87Å; F344-F478 HydrophobicContact CZ-CB 4.22Å; F344-F478 AromaticContact CZ-CD1 4Å; F344-F478 HydrophobicContact CZ-CD1 4Å; F344-F478 AromaticContact CZ-CD2 3.83Å; F344-F478 HydrophobicContact CZ-CD2 3.83Å; F344-F478 HydrophobicContact CZ-CE1 4.29Å; F344-F478 HydrophobicContact CZ-CE2 4.14Å; F344-F478 AromaticContact CZ-CG 3.76Å; F344-F478 HydrophobicContact CZ-CG 3.76Å; F344-F478 HydrophobicContact CZ-CZ 4.36Å; V437-F478 HydrophobicContact CG1-CD2 4.34Å; V437-F478 WeakPolarHBondContact O-CD2 3.41Å; V437-F478 PolarHBondContact O-N 3.07Å; L438-F478 WeakPolarHBondContact CA-O 3.17Å; L438-F478 HydrophobicContact CB-CB 4.09Å; L438-F478 HydrophobicContact CD1-CB 4.1Å; L438-F478 HydrophobicContact CG-CB 4Å; T439-F478 PolarHBondContact N-O 3.01Å; R447-F478 HydrophobicContact CB-CD1 4.03Å; R447-F478 HydrophobicContact CB-CE1 4.42Å; R447-F478 HydrophobicContact CG-CD1 3.89Å; R447-F478 HydrophobicContact CG-CE1 3.77Å; R447-F478 CarbonylContact O-C 3.55Å; R447-F478 VanDerWaalsContact O-CA 3.23Å; R447-F478 WeakPolarHBondContact O-CA 3.11Å; M448-F478 WeakPolarHBondContact O-CD1 3.41Å; M448-F478 WeakPolarHBondContact O-CE1 3.37Å; I450-F478 HydrophobicContact CG2-CE1 4.23Å; F478-I491 HydrophobicContact CD2-CG2 4.38Å; F478-I491 HydrophobicContact CE2-CG2 4.44Å; F478-P492 HydrophobicContact CE2-CG 4.5Å; F478-P492 HydrophobicContact CZ-CG 4.43Å
479	I	91.1	Very high	86.4	Confident	45 Å²	45	39.2 Å²	39.2	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.4	170	-60.9	163.8	0	0	0	108.6	F340 R447 M448 P449	F340-I479 HydrophobicContact CE2-CB 4.39Å; F340-I479 HydrophobicContact CE2-CG2 3.76Å; F340-I479 HydrophobicContact CZ-CG2 4.23Å; R447-I479 PolarHBondContact O-N 3.1Å; M448-I479 HydrophobicContact SD-CD1 3.89Å; P449-I479 VanDerWaalsContact CG-O 3.28Å; P449-I479 WeakPolarHBondContact CG-O 3.3Å
480	G	88.4	Confident	86.8	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	22%	0.218	C	C	.	.	S	Bend	trans	-122.8	-172.9	168.7	0	0	0	0	0	112.2	T439	T439-G480 WeakPolarHBondContact O-CA 3.27Å; T439-G480 PolarHBondContact O-N 3.1Å
481	P	90.5	Very high	87.4	Confident	45 Å²	45	29 Å²	29	29%	0.292	19%	0.188	S	C	.	.			cis	-67.7	153.9	-7.3	31.4	-36.2	0	0	0	111.7	K404 L405	K404-P481 HydrophobicContact CD-CB 4.43Å; K404-P481 HydrophobicContact CG-CB 4.01Å; L405-P481 CarbonylContact O-C 3.49Å; L405-P481 VanDerWaalsContact O-CA 3.29Å; L405-P481 WeakPolarHBondContact O-CA 3.43Å
482	V	90.7	Very high	87.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.6	178.7	178.5	0	0	0	0	109.8	F340 H343 F344 L405 L438 P449 L484	F340-V482 HydrophobicContact CB-CB 4.37Å; F340-V482 HydrophobicContact CB-CG1 4.13Å; F340-V482 HydrophobicContact CB-CG2 4.06Å; F340-V482 WeakPolarHBondContact O-CG1 3.28Å; H343-V482 HydrophobicContact CB-CG1 4.26Å; F344-V482 HydrophobicContact CD2-CG1 4.29Å; F344-V482 HydrophobicContact CE2-CG1 4.27Å; F344-V482 HydrophobicContact CE2-CG2 4.32Å; L405-V482 PolarHBondContact N-O 2.78Å; L405-V482 PolarHBondContact O-N 2.84Å; L438-V482 HydrophobicContact CD1-CB 4.43Å; L438-V482 HydrophobicContact CD1-CG2 3.87Å; P449-V482 HydrophobicContact CB-CG2 4.34Å; P449-V482 HydrophobicContact CG-CG2 3.69Å; V482-L484 HydrophobicContact CG1-CD2 3.91Å
483	Q	91.2	Very high	88.1	Confident	40 Å²	40	22.9 Å²	22.9	19%	0.187	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.6	176	-176.9	58.7	59	0	0	109.2	F340 D342 I403	F340-Q483 PolarHBondContact O-N 3.22Å; D342-Q483 PolarHBondContact N-O 3.33Å; I403-Q483 VanDerWaalsContact C-NE2 3.29Å; I403-Q483 PolarHBondContact O-NE2 2.95Å; I403-Q483 VanDerWaalsContact O-NE2 3.16Å
484	L	90.8	Very high	88.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.7	174.2	-52.8	179.1	0	0	0	109	F344 I397 L399 P402 I403 L405 V482	F344-L484 HydrophobicContact CD2-CD2 4.34Å; I397-L484 HydrophobicContact CD1-CD1 3.95Å; L399-L484 HydrophobicContact CD1-CB 3.41Å; L399-L484 VanDerWaalsContact CD1-CB 3.41Å; L399-L484 HydrophobicContact CD1-CD1 4.08Å; L399-L484 HydrophobicContact CD1-CG 4.4Å; P402-L484 CarbonylContact C-O 3.51Å; P402-L484 VanDerWaalsContact CA-O 3.29Å; P402-L484 WeakPolarHBondContact CA-O 3.32Å; I403-L484 PolarHBondContact N-O 2.81Å; I403-L484 WeakPolarHBondContact O-CB 3.15Å; I403-L484 PolarHBondContact O-N 2.83Å; L405-L484 HydrophobicContact CB-CD1 4.03Å; L405-L484 HydrophobicContact CB-CG 4.37Å; L405-L484 HydrophobicContact CD2-CD1 4.3Å; V482-L484 HydrophobicContact CG1-CD2 3.91Å
485	A	88.9	Confident	88.7	Confident	23 Å²	23	19.3 Å²	19.3	19%	0.19	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-94.2	173.8	177.4	0	0	0	0	0	110.3	D342 L399 G487 H489	D342-A485 WeakPolarHBondContact OD1-CB 3.42Å; L399-A485 WeakPolarHBondContact CD1-O 3.07Å; A485-G487 PolarHBondContact O-N 2.78Å; A485-H489 PolarHBondContact N-NE2 2.87Å
486	P	89.1	Confident	88.4	Confident	77 Å²	77	18.9 Å²	18.9	50%	0.5	13%	0.126	S	C	.	.	S	Bend	trans	-59.9	133.2	167.4	-23.5	35.5	0	0	0	111.3	L399 P402	L399-P486 WeakPolarHBondContact O-CA 3.34Å; P402-P486 HydrophobicContact CG-CG 4.31Å
487	G	86.6	Confident	88.1	Confident	34 Å²	34	17.4 Å²	17.4	35%	0.351	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139.7	-168.4	-178.3	0	0	0	0	0	115	C398 L399 A485	C398-G487 WeakPolarHBondContact CA-O 3.5Å; L399-G487 PolarHBondContact N-O 2.91Å; L399-G487 PolarHBondContact O-N 2.84Å; A485-G487 PolarHBondContact O-N 2.78Å
488	D	85.3	Confident	87.5	Confident	22 Å²	22	20.2 Å²	20.2	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123	175.7	-63.3	-73.5	0	0	0	110.3	I346 K348 R375 C398	I346-D488 PolarHBondContact N-O 3.44Å; K348-D488 WeakPolarHBondContact CA-OD2 3.41Å; K348-D488 VanDerWaalsContact CB-OD2 3.3Å; K348-D488 WeakPolarHBondContact CB-OD2 3.45Å; K348-D488 VanDerWaalsContact CG-OD2 3.22Å; K348-D488 WeakPolarHBondContact CG-OD2 3.28Å; R375-D488 IonicContact CZ-OD1 3.13Å; R375-D488 IonicContact NH2-OD1 2.66Å; R375-D488 PolarHBondContact NH2-OD1 3.21Å; C398-D488 PolarHBondContact SG-OD1 2.99Å
489	H	87.6	Confident	86.6	Confident	4 Å²	4	21.8 Å²	21.8	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.9	174.6	-63.1	-94.4	0	0	0	111.4	H343 F344 I345 Y396 I397 A485	H343-H489 PolarHBondContact O-CE1 2.91Å; H343-H489 PolarHBondContact O-ND1 3.3Å; H343-H489 PolarHBondContact O-NE2 2.77Å; F344-H489 VanDerWaalsContact CA-CE1 3.42Å; F344-H489 WeakPolarHBondContact CA-CE1 3.26Å; F344-H489 HydrophobicContact CB-CB 4.25Å; F344-H489 WeakPolarHBondContact CB-CE1 3.28Å; F344-H489 CarbonylContact O-C 3.59Å; F344-H489 VanDerWaalsContact O-CA 3.27Å; F344-H489 WeakPolarHBondContact O-CA 3.16Å; F344-H489 PolarHBondContact O-CE1 3.05Å; F344-H489 VanDerWaalsContact O-CE1 3.3Å; I345-H489 WeakPolarHBondContact CG1-NE2 3.14Å; I345-H489 PolarHBondContact N-CE1 3.03Å; Y396-H489 VanDerWaalsContact CA-O 3.24Å; Y396-H489 WeakPolarHBondContact CA-O 3.4Å; I397-H489 PolarHBondContact N-O 2.85Å; I397-H489 PolarHBondContact O-N 2.97Å; A485-H489 PolarHBondContact N-NE2 2.87Å
490	A	85.4	Confident	85.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.2	170.8	0	0	0	0	0	110.7	F344 I346 V394 Y396 F453 P492	F344-A490 WeakPolarHBondContact CB-O 3.45Å; F344-A490 WeakPolarHBondContact CD1-O 3.44Å; F344-A490 PolarHBondContact O-N 2.82Å; I346-A490 HydrophobicContact CD1-CB 3.37Å; I346-A490 HydrophobicContact CG1-CB 3.67Å; V394-A490 HydrophobicContact CG1-CB 3.54Å; Y396-A490 HydrophobicContact CD1-CB 4.06Å; Y396-A490 HydrophobicContact CE1-CB 3.99Å; F453-A490 HydrophobicContact CB-CB 4.23Å; F453-A490 HydrophobicContact CD1-CB 3.67Å; F453-A490 HydrophobicContact CE1-CB 4.48Å; F453-A490 HydrophobicContact CG-CB 4.26Å; A490-P492 WeakPolarHBondContact O-CD 3.38Å
491	I	89.8	Confident	85.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103	173.6	-49.3	-175.4	0	0	0	107.4	F344 V395 I397 L405 L408 V437 F478	F344-I491 HydrophobicContact CB-CG1 4.1Å; F344-I491 HydrophobicContact CD1-CB 4.29Å; F344-I491 HydrophobicContact CD1-CG1 4.01Å; F344-I491 HydrophobicContact CD1-CG2 4.25Å; F344-I491 HydrophobicContact CD2-CD1 4.25Å; F344-I491 HydrophobicContact CD2-CG1 4.04Å; F344-I491 HydrophobicContact CE1-CB 4.46Å; F344-I491 HydrophobicContact CE1-CG1 4.45Å; F344-I491 HydrophobicContact CE1-CG2 3.91Å; F344-I491 HydrophobicContact CE2-CD1 4.47Å; F344-I491 HydrophobicContact CE2-CG1 4.46Å; F344-I491 HydrophobicContact CG-CD1 4.49Å; F344-I491 HydrophobicContact CG-CG1 3.79Å; F344-I491 HydrophobicContact CZ-CG2 4.12Å; V395-I491 PolarHBondContact N-O 2.82Å; V395-I491 PolarHBondContact O-N 2.91Å; I397-I491 HydrophobicContact CD1-CD1 3.76Å; L405-I491 HydrophobicContact CD2-CD1 3.12Å; L408-I491 HydrophobicContact CD2-CB 4.08Å; L408-I491 HydrophobicContact CD2-CD1 4.44Å; L408-I491 HydrophobicContact CD2-CG2 3.68Å; V437-I491 HydrophobicContact CG1-CG2 4.24Å; F478-I491 HydrophobicContact CD2-CG2 4.38Å; F478-I491 HydrophobicContact CE2-CG2 4.44Å
492	P	87.6	Confident	85	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	152.4	-179.9	33.7	-36.8	0	0	0	111.1	G393 V394 I450 F453 F460 F478 A490	G393-P492 WeakPolarHBondContact O-CA 3.22Å; V394-P492 HydrophobicContact CG2-CB 4.33Å; I450-P492 HydrophobicContact CD1-CG 3.79Å; F453-P492 HydrophobicContact CD2-CB 3.95Å; F453-P492 HydrophobicContact CD2-CG 3.77Å; F453-P492 HydrophobicContact CE2-CB 3.69Å; F453-P492 HydrophobicContact CE2-CG 4.01Å; F453-P492 HydrophobicContact CG-CG 4.43Å; F453-P492 HydrophobicContact CZ-CB 4.15Å; F460-P492 HydrophobicContact CE1-CB 3.79Å; F460-P492 HydrophobicContact CE2-CB 4.1Å; F460-P492 HydrophobicContact CE2-CG 4.41Å; F460-P492 HydrophobicContact CZ-CB 3.42Å; F460-P492 VanDerWaalsContact CZ-CB 3.42Å; F460-P492 HydrophobicContact CZ-CG 3.91Å; F478-P492 HydrophobicContact CE2-CG 4.5Å; F478-P492 HydrophobicContact CZ-CG 4.43Å; A490-P492 WeakPolarHBondContact O-CD 3.38Å
493	F	88.3	Confident	84.8	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.3	175.9	64.3	-96.2	0	0	0	111.9	I378 I380 R392 G393 V394 V395 V410 V437 F495	I378-F493 HydrophobicContact CD1-CE1 4.39Å; I378-F493 HydrophobicContact CD1-CZ 4.13Å; I378-F493 HydrophobicContact CG1-CE1 4.19Å; I378-F493 HydrophobicContact CG1-CZ 4.16Å; I380-F493 HydrophobicContact CG1-CZ 4.45Å; R392-F493 WeakPolarHBondContact CA-O 3.29Å; G393-F493 VanDerWaalsContact C-CE1 3.43Å; G393-F493 PolarHBondContact N-O 2.83Å; G393-F493 PolarHBondContact O-N 2.92Å; V394-F493 VanDerWaalsContact N-CE1 3.34Å; V395-F493 HydrophobicContact CG2-CD1 4.02Å; V395-F493 HydrophobicContact CG2-CE1 3.89Å; V410-F493 HydrophobicContact CG1-CD2 4.43Å; V410-F493 HydrophobicContact CG1-CE2 4.1Å; V410-F493 HydrophobicContact CG1-CZ 4.31Å; V410-F493 HydrophobicContact CG2-CD1 4.04Å; V410-F493 HydrophobicContact CG2-CD2 4.31Å; V410-F493 HydrophobicContact CG2-CE1 4.24Å; V410-F493 HydrophobicContact CG2-CG 4.07Å; V410-F493 HydrophobicContact CG2-CZ 4.47Å; V437-F493 HydrophobicContact CB-CB 4.41Å; V437-F493 HydrophobicContact CG1-CB 3.79Å; V437-F493 HydrophobicContact CG2-CB 3.64Å; V437-F493 HydrophobicContact CG2-CG 4.5Å; F493-F495 AromaticContact CD2-CD1 3.94Å; F493-F495 HydrophobicContact CD2-CD1 3.94Å; F493-F495 HydrophobicContact CD2-CE1 4.03Å; F493-F495 HydrophobicContact CE2-CD1 4.25Å; F493-F495 AromaticContact CE2-CE1 3.85Å; F493-F495 HydrophobicContact CE2-CE1 3.85Å
494	A	85.8	Confident	84.7	Confident	11 Å²	11	22.2 Å²	22.2	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.3	166.8	0	0	0	0	0	108	L391 R392 F475	L391-A494 WeakPolarHBondContact O-CA 3.44Å; R392-A494 HydrophobicContact CG-CB 4.03Å; F475-A494 HydrophobicContact CD1-CB 4.06Å; F475-A494 WeakPolarHBondContact CD1-O 3.33Å; F475-A494 HydrophobicContact CE1-CB 3.74Å; F475-A494 HydrophobicContact CZ-CB 4.48Å
495	F	86.1	Confident	84.4	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.3	170.8	63.8	-96.3	0	0	0	110.8	A390 L391 V410 T412 Y435 F493 V525	A390-F495 CarbonylContact C-O 3.53Å; A390-F495 VanDerWaalsContact CA-O 3.32Å; A390-F495 WeakPolarHBondContact CA-O 3.44Å; L391-F495 HydrophobicContact CB-CD2 4.37Å; L391-F495 HydrophobicContact CB-CE1 4.23Å; L391-F495 HydrophobicContact CB-CE2 3.92Å; L391-F495 HydrophobicContact CB-CZ 3.86Å; L391-F495 HydrophobicContact CD2-CE1 3.82Å; L391-F495 HydrophobicContact CD2-CE2 4.08Å; L391-F495 HydrophobicContact CD2-CZ 3.32Å; L391-F495 HydrophobicContact CG-CZ 4.21Å; L391-F495 PolarHBondContact N-O 3.1Å; L391-F495 PolarHBondContact O-N 2.85Å; V410-F495 HydrophobicContact CB-CE1 4.32Å; V410-F495 HydrophobicContact CG1-CD1 4.29Å; V410-F495 HydrophobicContact CG1-CE1 3.59Å; V410-F495 HydrophobicContact CG1-CZ 4.36Å; T412-F495 WeakPolarHBondContact OG1-CE2 3.29Å; T412-F495 WeakPolarHBondContact OG1-CZ 3.13Å; Y435-F495 HydrophobicContact CD1-CB 3.72Å; Y435-F495 HydrophobicContact CD1-CG 4.42Å; Y435-F495 HydrophobicContact CD2-CB 3.83Å; Y435-F495 HydrophobicContact CD2-CD1 4.28Å; Y435-F495 AromaticContact CD2-CD2 3.44Å; Y435-F495 HydrophobicContact CD2-CD2 3.44Å; Y435-F495 VanDerWaalsContact CD2-CD2 3.44Å; Y435-F495 AromaticContact CD2-CE2 3.99Å; Y435-F495 HydrophobicContact CD2-CE2 3.99Å; Y435-F495 AromaticContact CD2-CG 3.6Å; Y435-F495 HydrophobicContact CD2-CG 3.6Å; Y435-F495 HydrophobicContact CE1-CB 4.24Å; Y435-F495 HydrophobicContact CE2-CB 4.33Å; Y435-F495 AromaticContact CE2-CD2 3.43Å; Y435-F495 HydrophobicContact CE2-CD2 3.43Å; Y435-F495 VanDerWaalsContact CE2-CD2 3.43Å; Y435-F495 AromaticContact CE2-CE2 3.92Å; Y435-F495 HydrophobicContact CE2-CE2 3.92Å; Y435-F495 HydrophobicContact CE2-CG 4.06Å; Y435-F495 HydrophobicContact CG-CB 3.5Å; Y435-F495 VanDerWaalsContact CG-CB 3.5Å; Y435-F495 HydrophobicContact CG-CD2 4.05Å; Y435-F495 AromaticContact CG-CG 3.81Å; Y435-F495 HydrophobicContact CG-CG 3.81Å; F493-F495 AromaticContact CD2-CD1 3.94Å; F493-F495 HydrophobicContact CD2-CD1 3.94Å; F493-F495 HydrophobicContact CD2-CE1 4.03Å; F493-F495 HydrophobicContact CE2-CD1 4.25Å; F493-F495 AromaticContact CE2-CE1 3.85Å; F493-F495 HydrophobicContact CE2-CE1 3.85Å; F495-V525 HydrophobicContact CE1-CG1 4.43Å; F495-V525 HydrophobicContact CZ-CG1 4.26Å; F495-V525 HydrophobicContact CZ-CG2 4.44Å
496	P	80.3	Confident	84.2	Confident	24 Å²	24	26.6 Å²	26.6	16%	0.156	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.2	170.3	31.8	-36.6	0	0	0	109.4	Y435 V468 L470	Y435-P496 HydrophobicContact CE1-CG 4.12Å; Y435-P496 VanDerWaalsContact CZ-O 3.26Å; Y435-P496 PolarHBondContact OH-O 3.5Å; V468-P496 HydrophobicContact CB-CB 4.44Å; V468-P496 HydrophobicContact CG1-CB 4.21Å; L470-P496 HydrophobicContact CD2-CB 3.99Å; L470-P496 HydrophobicContact CD2-CG 3.62Å
497	L	82.4	Confident	83.6	Confident	3 Å²	3	24.6 Å²	24.6	2%	0.016	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-71.2	145.6	154.8	-176.5	64.7	0	0	0	108.5	V385 G388 G389 T412 A501 Y523 V551	V385-L497 HydrophobicContact CG1-CD2 3.92Å; G388-L497 WeakPolarHBondContact CA-O 3.31Å; G388-L497 PolarHBondContact N-O 3.12Å; G389-L497 PolarHBondContact O-N 2.85Å; T412-L497 HydrophobicContact CG2-CD1 4.44Å; L497-A501 HydrophobicContact CD1-CB 4.02Å; L497-A501 HydrophobicContact CD2-CB 3.85Å; L497-A501 HydrophobicContact CG-CB 3.71Å; L497-Y523 HydrophobicContact CD1-CE1 4.48Å; L497-V551 HydrophobicContact CD2-CB 4.18Å; L497-V551 HydrophobicContact CD2-CG1 3.64Å; L497-V551 HydrophobicContact CD2-CG2 3.42Å; L497-V551 VanDerWaalsContact CD2-CG2 3.42Å
498	E	78.9	Confident	83.1	Confident	79 Å²	79	30 Å²	30	37%	0.369	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-59	147.7	179.2	-59.3	-174.6	139.1	0	0	111.9	P387 G388 I433 D500 A501	P387-E498 WeakPolarHBondContact CA-O 3.38Å; G388-E498 PolarHBondContact N-O 3.2Å; G388-E498 VanDerWaalsContact N-O 3.08Å; I433-E498 HydrophobicContact CD1-CG 4.3Å; I433-E498 WeakPolarHBondContact CD1-OE2 3.42Å; E498-D500 PolarHBondContact O-N 2.92Å; E498-A501 VanDerWaalsContact O-CB 3.28Å; E498-A501 WeakPolarHBondContact O-CB 3.34Å; E498-A501 PolarHBondContact O-N 2.66Å
499	S	73.5	Confident	82.2	Confident	34 Å²	34	30.3 Å²	30.3	24%	0.238	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.4	-171.4	65.1	0	0	0	0	114.7	R775	S499-R775 PolarHBondContact OG-NH1 2.77Å
500	D	73.1	Confident	80.8	Confident	94 Å²	94	37.5 Å²	37.5	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-0.1	-176.1	46.7	-46.8	0	0	0	111.6	E498 H502	E498-D500 PolarHBondContact O-N 2.92Å; D500-H502 PolarHBondContact O-N 3.3Å
501	A	81.5	Confident	78.9	Confident	3 Å²	3	45 Å²	45	3%	0.025	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-53	126.6	173.4	0	0	0	0	0	111.4	P387 L497 E498	P387-A501 HydrophobicContact CB-CB 4.23Å; P387-A501 HydrophobicContact CG-CB 4.45Å; P387-A501 WeakPolarHBondContact CG-O 2.97Å; L497-A501 HydrophobicContact CD1-CB 4.02Å; L497-A501 HydrophobicContact CD2-CB 3.85Å; L497-A501 HydrophobicContact CG-CB 3.71Å; E498-A501 VanDerWaalsContact O-CB 3.28Å; E498-A501 WeakPolarHBondContact O-CB 3.34Å; E498-A501 PolarHBondContact O-N 2.66Å
502	H	83.1	Confident	76.6	Confident	35 Å²	35	48.5 Å²	48.5	16%	0.162	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74	152.2	178.2	-56.6	-78.4	0	0	0	111.5	D500 H521 Y523 V551 C735 L736 Y776	D500-H502 PolarHBondContact O-N 3.3Å; H502-H521 PolarHBondContact O-CE1 2.88Å; H502-Y523 PolarHBondContact N-OH 3Å; H502-Y523 WeakPolarHBondContact O-CE2 3.14Å; H502-Y523 PolarHBondContact O-OH 2.91Å; H502-V551 WeakPolarHBondContact O-CG1 3.36Å; H502-C735 PolarHBondContact CE1-O 2.72Å; H502-C735 VanDerWaalsContact CE1-O 3.3Å; H502-L736 WeakPolarHBondContact CD2-CD1 3.42Å; H502-Y776 WeakPolarHBondContact CA-OH 3.48Å; H502-Y776 HydrophobicContact CB-CE2 4.33Å; H502-Y776 WeakPolarHBondContact CB-OH 3.44Å; H502-Y776 AromaticContact ND1-CE2 3.49Å; H502-Y776 WeakPolarHBondContact ND1-CE2 3.24Å; H502-Y776 AromaticContact ND1-CZ 3.53Å; H502-Y776 PolarHBondContact ND1-OH 2.94Å
503	P	86.1	Confident	74.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-73.7	149.5	179.9	32.3	-34.6	0	0	0	111.5	I505 H521 V551 P732 Q733 Y776	P503-I505 HydrophobicContact CG-CD1 4.26Å; P503-I505 PolarHBondContact O-N 2.95Å; P503-H521 PolarHBondContact O-ND1 3.24Å; P503-V551 CarbonylContact C-O 3.41Å; P503-V551 VanDerWaalsContact CA-O 3.28Å; P503-V551 WeakPolarHBondContact CA-O 3.31Å; P503-V551 WeakPolarHBondContact CB-O 3.29Å; P503-P732 HydrophobicContact CB-CB 4.43Å; P503-P732 HydrophobicContact CB-CG 4.39Å; P503-P732 HydrophobicContact CG-CB 4.14Å; P503-P732 HydrophobicContact CG-CG 4.33Å; P503-Q733 WeakPolarHBondContact CG-O 3.32Å; P503-Y776 VanDerWaalsContact CD-CZ 3.49Å; P503-Y776 WeakPolarHBondContact CD-OH 3.36Å
504	S	87.8	Confident	73.1	Confident	16 Å²	16	63.5 Å²	63.5	11%	0.112	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-67.2	122.2	176.4	-63.8	0	0	0	0	110.2	H521 I549 V551	S504-H521 CarbonylContact C-O 3.53Å; S504-H521 VanDerWaalsContact CA-O 3.25Å; S504-H521 WeakPolarHBondContact CA-O 3.47Å; S504-I549 PolarHBondContact OG-O 3.19Å; S504-V551 PolarHBondContact N-O 2.88Å; S504-V551 PolarHBondContact OG-N 2.78Å
505	I	85.8	Confident	71.7	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.4	-176.8	-72	156	0	0	0	108.7	P503 L507 I519 H521 V731 P732 S734 I741	P503-I505 HydrophobicContact CG-CD1 4.26Å; P503-I505 PolarHBondContact O-N 2.95Å; I505-L507 HydrophobicContact CG2-CD1 3.85Å; I505-L507 HydrophobicContact CG2-CD2 4.42Å; I505-L507 HydrophobicContact CG2-CG 3.68Å; I505-I519 HydrophobicContact CG2-CG2 4.11Å; I505-H521 HydrophobicContact CB-CB 4.29Å; I505-H521 PolarHBondContact N-O 2.79Å; I505-H521 PolarHBondContact O-N 3.42Å; I505-H521 VanDerWaalsContact O-O 3.08Å; I505-V731 HydrophobicContact CG1-CG1 4.47Å; I505-V731 HydrophobicContact CG2-CG1 4.23Å; I505-P732 HydrophobicContact CG1-CG 4.06Å; I505-S734 VanDerWaalsContact CD1-CB 3.48Å; I505-I741 HydrophobicContact CD1-CD1 3.96Å; I505-I741 HydrophobicContact CG2-CD1 4.15Å
506	L	84.3	Confident	70.6	Confident	111 Å²	111	72 Å²	72	58%	0.581	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	110.2	170.2	178	61.1	0	0	0	108.9	K508 I519 I520	L506-K508 HydrophobicContact CD1-CG 4.37Å; L506-I519 WeakPolarHBondContact CA-O 3.41Å; L506-I520 HydrophobicContact CD1-CB 4.48Å; L506-I520 HydrophobicContact CD1-CG1 3.93Å; L506-I520 HydrophobicContact CD1-CG2 4.39Å
507	L	77.1	Confident	70	Confident	35 Å²	35	71.8 Å²	71.8	18%	0.183	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.1	176.1	-55.8	172.8	0	0	0	108.6	I505 E518 I519 F619 V731 I741	I505-L507 HydrophobicContact CG2-CD1 3.85Å; I505-L507 HydrophobicContact CG2-CD2 4.42Å; I505-L507 HydrophobicContact CG2-CG 3.68Å; L507-E518 CarbonylContact O-C 3.6Å; L507-E518 WeakPolarHBondContact O-CA 3.46Å; L507-E518 WeakPolarHBondContact O-CG 3.32Å; L507-I519 HydrophobicContact CB-CB 4.24Å; L507-I519 HydrophobicContact CD1-CB 4.44Å; L507-I519 HydrophobicContact CD1-CD1 3.86Å; L507-I519 PolarHBondContact N-O 2.78Å; L507-I519 PolarHBondContact O-N 3.26Å; L507-F619 HydrophobicContact CD1-CD1 4.38Å; L507-F619 HydrophobicContact CD1-CE1 3.56Å; L507-F619 HydrophobicContact CD1-CZ 4.31Å; L507-V731 HydrophobicContact CD1-CG1 4.23Å; L507-V731 HydrophobicContact CD2-CB 4.4Å; L507-V731 HydrophobicContact CD2-CG1 3.97Å; L507-V731 HydrophobicContact CD2-CG2 3.48Å; L507-V731 VanDerWaalsContact CD2-CG2 3.48Å; L507-V731 HydrophobicContact CG-CG1 4.5Å; L507-I741 HydrophobicContact CD1-CD1 3.91Å
508	K	75.4	Confident	69.8	Low	147 Å²	147	74 Å²	74	64%	0.639	39%	0.388	S	S	*	.			trans	-109.2	138.4	174.2	-59.7	-163.8	171.9	-164.3	0	109.3	L506 E518	L506-K508 HydrophobicContact CD1-CG 4.37Å; K508-E518 WeakPolarHBondContact CE-OE1 3.49Å; K508-E518 HydrophobicContact CG-CG 4.29Å; K508-E518 WeakPolarHBondContact CG-OE1 3.3Å; K508-E518 IonicContact NZ-OE1 3.26Å
509	G	66.1	Low	69.9	Low	28 Å²	28	70.4 Å²	70.4	29%	0.289	37%	0.371	S	S	.	.			trans	-62.2	151	166.7	0	0	0	0	0	111.6	V511 E516	G509-V511 PolarHBondContact O-N 3.48Å; G509-E516 VanDerWaalsContact CA-CD 3.4Å; G509-E516 WeakPolarHBondContact CA-OE2 3.33Å
510	K	57.4	Low	70.4	Confident	156 Å²	156	70.1 Å²	70.1	68%	0.678	37%	0.367	S	S	*	.			trans	-79.5	107.1	168.1	-68.8	-172.9	176.7	-171.2	0	109.2	G512 F513 E516	K510-G512 PolarHBondContact O-N 3.28Å; K510-F513 HydrophobicContact CB-CD2 3.92Å; K510-F513 HydrophobicContact CB-CE2 4.08Å; K510-F513 WeakPolarHBondContact O-CD2 3.32Å; K510-F513 PolarHBondContact O-N 2.7Å; K510-E516 VanDerWaalsContact C-OE2 3.32Å; K510-E516 PolarHBondContact N-OE1 3.3Å; K510-E516 PolarHBondContact N-OE2 2.77Å
511	V	45.7	Very low	71.2	Confident	158 Å²	158	65.8 Å²	65.8	96%	0.958	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.6	105.1	177	-177.7	0	0	0	0	112.1	G509	G509-V511 PolarHBondContact O-N 3.48Å
512	G	43.1	Very low	71.6	Confident	73 Å²	73	69.7 Å²	69.7	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.9	-17.9	178.1	0	0	0	0	0	116.5	K510	K510-G512 PolarHBondContact O-N 3.28Å
513	F	49.9	Very low	72	Confident	142 Å²	142	68 Å²	68	62%	0.623	35%	0.35	S	S	*	.			trans	-94.6	141.1	-178.4	-65	-85.8	0	0	0	113.3	K510 H515 E516	K510-F513 HydrophobicContact CB-CD2 3.92Å; K510-F513 HydrophobicContact CB-CE2 4.08Å; K510-F513 WeakPolarHBondContact O-CD2 3.32Å; K510-F513 PolarHBondContact O-N 2.7Å; F513-H515 PolarHBondContact O-N 3.17Å; F513-E516 HydrophobicContact CB-CG 3.84Å
514	K	52	Low	72.2	Confident	175 Å²	175	69.6 Å²	69.6	76%	0.761	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	0	-167.8	-73	-165	173.2	-168	0	116.9	S421	S421-K514 PolarHBondContact OG-O 3.07Å
515	H	55.5	Low	72.3	Confident	136 Å²	136	68.8 Å²	68.8	63%	0.63	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	37.2	-172.3	-64.6	-39.3	0	0	0	111.7	S421 F513	S421-H515 WeakPolarHBondContact OG-CA 3.2Å; F513-H515 PolarHBondContact O-N 3.17Å
516	E	62.5	Low	72.6	Confident	56 Å²	56	70.9 Å²	70.9	26%	0.262	36%	0.358	S	S	.	.			trans	-101.5	159.9	-177.6	-67.8	-170	137.4	0	0	112.2	S421 G509 K510 F513	S421-E516 WeakPolarHBondContact CB-O 3.46Å; S421-E516 PolarHBondContact N-O 3.41Å; S421-E516 PolarHBondContact OG-N 3.15Å; S421-E516 PolarHBondContact OG-O 3.14Å; G509-E516 VanDerWaalsContact CA-CD 3.4Å; G509-E516 WeakPolarHBondContact CA-OE2 3.33Å; K510-E516 VanDerWaalsContact C-OE2 3.32Å; K510-E516 PolarHBondContact N-OE1 3.3Å; K510-E516 PolarHBondContact N-OE2 2.77Å; F513-E516 HydrophobicContact CB-CG 3.84Å
517	V	69.4	Low	73	Confident	20 Å²	20	65.6 Å²	65.6	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.8	180	-171.1	0	0	0	0	108.2	T418 I419 I519 I621 L624	T418-V517 HydrophobicContact CG2-CG1 3.43Å; T418-V517 VanDerWaalsContact CG2-CG1 3.43Å; I419-V517 CarbonylContact O-C 3.47Å; I419-V517 WeakPolarHBondContact O-CA 3.38Å; I419-V517 VanDerWaalsContact O-CG1 3.26Å; I419-V517 WeakPolarHBondContact O-CG1 3.45Å; V517-I519 HydrophobicContact CG1-CG1 4.37Å; V517-I621 HydrophobicContact CB-CD1 4.08Å; V517-I621 HydrophobicContact CG1-CD1 4.41Å; V517-I621 HydrophobicContact CG1-CG2 3.96Å; V517-I621 HydrophobicContact CG2-CD1 4.21Å; V517-L624 HydrophobicContact CG2-CD1 4.3Å; V517-L624 HydrophobicContact CG2-CG 4.42Å
518	E	78.2	Confident	73.8	Confident	51 Å²	51	65.1 Å²	65.1	24%	0.238	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.6	165.9	-169.5	177.1	-154.1	0	0	108.3	T418 I419 L507 K508 I520	T418-E518 CarbonylContact C-O 3.48Å; T418-E518 WeakPolarHBondContact CA-O 3.41Å; I419-E518 HydrophobicContact CB-CB 4.21Å; I419-E518 PolarHBondContact N-O 3.1Å; I419-E518 PolarHBondContact O-N 3.29Å; L507-E518 CarbonylContact O-C 3.6Å; L507-E518 WeakPolarHBondContact O-CA 3.46Å; L507-E518 WeakPolarHBondContact O-CG 3.32Å; K508-E518 WeakPolarHBondContact CE-OE1 3.49Å; K508-E518 HydrophobicContact CG-CG 4.29Å; K508-E518 WeakPolarHBondContact CG-OE1 3.3Å; K508-E518 IonicContact NZ-OE1 3.26Å; E518-I520 HydrophobicContact CG-CD1 4.38Å; E518-I520 HydrophobicContact CG-CG1 4.01Å
519	I	80.4	Confident	74.6	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.8	173	-64.9	160.1	0	0	0	107.7	I505 L506 L507 V517 I621 L739	I505-I519 HydrophobicContact CG2-CG2 4.11Å; L506-I519 WeakPolarHBondContact CA-O 3.41Å; L507-I519 HydrophobicContact CB-CB 4.24Å; L507-I519 HydrophobicContact CD1-CB 4.44Å; L507-I519 HydrophobicContact CD1-CD1 3.86Å; L507-I519 PolarHBondContact N-O 2.78Å; L507-I519 PolarHBondContact O-N 3.26Å; V517-I519 HydrophobicContact CG1-CG1 4.37Å; I519-I621 HydrophobicContact CD1-CD1 3.6Å; I519-I621 HydrophobicContact CD1-CG1 4.14Å; I519-I621 HydrophobicContact CG1-CD1 4.46Å; I519-L739 HydrophobicContact CD1-CD1 3.59Å; I519-L739 HydrophobicContact CG1-CD1 4.21Å; I519-L739 HydrophobicContact CG2-CD1 4.47Å; I519-L739 HydrophobicContact CG2-CD2 3.66Å
520	I	84.7	Confident	75.9	Confident	28 Å²	28	60.2 Å²	60.2	14%	0.144	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	98.5	172.7	-49.3	177.4	0	0	0	107.6	T416 K417 L506 E518 R522	T416-I520 CarbonylContact C-O 3.45Å; T416-I520 WeakPolarHBondContact CA-O 3.43Å; K417-I520 HydrophobicContact CB-CB 4.29Å; K417-I520 PolarHBondContact N-O 3.32Å; K417-I520 PolarHBondContact O-N 3.05Å; L506-I520 HydrophobicContact CD1-CB 4.48Å; L506-I520 HydrophobicContact CD1-CG1 3.93Å; L506-I520 HydrophobicContact CD1-CG2 4.39Å; E518-I520 HydrophobicContact CG-CD1 4.38Å; E518-I520 HydrophobicContact CG-CG1 4.01Å; I520-R522 HydrophobicContact CG2-CG 4.18Å
521	H	88.2	Confident	77.6	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	167.2	-177.1	-119.6	0	0	0	109.8	M414 I415 T416 H502 P503 S504 I505 Y523	M414-H521 WeakPolarHBondContact CG-NE2 3.45Å; I415-H521 WeakPolarHBondContact O-CA 3.46Å; T416-H521 PolarHBondContact OG1-CD2 3.41Å; T416-H521 VanDerWaalsContact OG1-CD2 3.22Å; H502-H521 PolarHBondContact O-CE1 2.88Å; P503-H521 PolarHBondContact O-ND1 3.24Å; S504-H521 CarbonylContact C-O 3.53Å; S504-H521 VanDerWaalsContact CA-O 3.25Å; S504-H521 WeakPolarHBondContact CA-O 3.47Å; I505-H521 HydrophobicContact CB-CB 4.29Å; I505-H521 PolarHBondContact N-O 2.79Å; I505-H521 PolarHBondContact O-N 3.42Å; I505-H521 VanDerWaalsContact O-O 3.08Å; H521-Y523 AromaticContact CE1-CE2 3.38Å; H521-Y523 WeakPolarHBondContact CE1-CE2 3.29Å; H521-Y523 AromaticContact CE1-CZ 3.67Å; H521-Y523 PolarHBondContact CE1-OH 2.85Å; H521-Y523 AromaticContact NE2-CE2 3.78Å; H521-Y523 AromaticContact NE2-CZ 3.83Å
522	R	90.1	Very high	79.9	Confident	85 Å²	85	45.4 Å²	45.4	32%	0.321	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.7	-176	61.2	-179.2	169.5	-174.5	-1.5	110.9	I415 I520 Y524	I415-R522 HydrophobicContact CB-CG 4.48Å; I415-R522 PolarHBondContact N-O 3.22Å; I415-R522 PolarHBondContact O-N 3.2Å; I415-R522 VanDerWaalsContact O-O 3.13Å; I520-R522 HydrophobicContact CG2-CG 4.18Å; R522-Y524 HydrophobicContact CG-CE2 4.39Å; R522-Y524 PolarHBondContact NH1-OH 2.83Å; R522-Y524 PolarHBondContact NH2-OH 3.01Å
523	Y	91.6	Very high	82.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.5	175.5	-61.9	-103.5	0	0	0	109.7	T412 E413 M414 L497 H502 H521 I549 V551	T412-Y523 HydrophobicContact CG2-CD1 3.82Å; T412-Y523 HydrophobicContact CG2-CG 4.44Å; E413-Y523 WeakPolarHBondContact O-CA 3.39Å; M414-Y523 HydrophobicContact CB-CD1 3.79Å; M414-Y523 HydrophobicContact CB-CE1 3.62Å; M414-Y523 HydrophobicContact CE-CE1 4.02Å; M414-Y523 HydrophobicContact CG-CD1 4.15Å; M414-Y523 HydrophobicContact CG-CE1 3.64Å; L497-Y523 HydrophobicContact CD1-CE1 4.48Å; H502-Y523 PolarHBondContact N-OH 3Å; H502-Y523 WeakPolarHBondContact O-CE2 3.14Å; H502-Y523 PolarHBondContact O-OH 2.91Å; H521-Y523 AromaticContact CE1-CE2 3.38Å; H521-Y523 WeakPolarHBondContact CE1-CE2 3.29Å; H521-Y523 AromaticContact CE1-CZ 3.67Å; H521-Y523 PolarHBondContact CE1-OH 2.85Å; H521-Y523 AromaticContact NE2-CE2 3.78Å; H521-Y523 AromaticContact NE2-CZ 3.83Å; Y523-I549 PolarHBondContact O-N 3.43Å; Y523-V551 HydrophobicContact CD1-CG2 4.45Å; Y523-V551 HydrophobicContact CD2-CB 3.99Å; Y523-V551 HydrophobicContact CD2-CG2 3.27Å; Y523-V551 HydrophobicContact CE2-CB 3.74Å; Y523-V551 HydrophobicContact CE2-CG1 4.45Å; Y523-V551 HydrophobicContact CE2-CG2 3.36Å; Y523-V551 HydrophobicContact CG-CG2 3.85Å
524	Y	90.9	Very high	83.8	Confident	34 Å²	34	40.8 Å²	40.8	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.9	169.5	-75.9	-67.3	0	0	0	110.3	T412 E413 I415 R522 N546 L547 N548	T412-Y524 CarbonylContact C-O 3.59Å; T412-Y524 VanDerWaalsContact CA-O 3.26Å; T412-Y524 WeakPolarHBondContact CA-O 3.31Å; E413-Y524 PolarHBondContact N-O 3.23Å; E413-Y524 PolarHBondContact O-N 3.17Å; I415-Y524 HydrophobicContact CD1-CD2 3.63Å; I415-Y524 HydrophobicContact CD1-CE2 3.82Å; I415-Y524 HydrophobicContact CG1-CD2 4.11Å; R522-Y524 HydrophobicContact CG-CE2 4.39Å; R522-Y524 PolarHBondContact NH1-OH 2.83Å; R522-Y524 PolarHBondContact NH2-OH 3.01Å; Y524-N546 HydrophobicContact CD1-CB 3.5Å; Y524-N546 VanDerWaalsContact CD1-CB 3.5Å; Y524-N546 HydrophobicContact CE1-CB 4.03Å; Y524-N546 HydrophobicContact CG-CB 3.86Å; Y524-L547 CarbonylContact C-O 3.55Å; Y524-L547 VanDerWaalsContact CA-O 3.26Å; Y524-L547 WeakPolarHBondContact CA-O 3.5Å; Y524-N548 HydrophobicContact CE1-CB 4.48Å; Y524-N548 VanDerWaalsContact CE1-CG 3.45Å; Y524-N548 WeakPolarHBondContact CE1-ND2 3.1Å; Y524-N548 VanDerWaalsContact CE1-OD1 3.29Å; Y524-N548 WeakPolarHBondContact CE1-OD1 3.48Å
525	V	90.8	Very high	85.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.3	174.7	179.1	0	0	0	0	109.1	I378 I380 L391 V410 T411 T412 F495 L547 I549	I378-V525 HydrophobicContact CD1-CG1 4.12Å; I380-V525 HydrophobicContact CD1-CB 3.83Å; I380-V525 HydrophobicContact CD1-CG1 4Å; I380-V525 HydrophobicContact CD1-CG2 4.22Å; L391-V525 HydrophobicContact CD2-CG1 4.25Å; L391-V525 HydrophobicContact CD2-CG2 3.8Å; V410-V525 HydrophobicContact CG1-CG1 3.61Å; T411-V525 WeakPolarHBondContact O-CA 3.42Å; T412-V525 HydrophobicContact CG2-CG2 4.27Å; F495-V525 HydrophobicContact CE1-CG1 4.43Å; F495-V525 HydrophobicContact CZ-CG1 4.26Å; F495-V525 HydrophobicContact CZ-CG2 4.44Å; V525-L547 PolarHBondContact N-O 2.91Å; V525-L547 PolarHBondContact O-N 3.1Å; V525-I549 HydrophobicContact CG2-CD1 3.81Å; V525-I549 HydrophobicContact CG2-CG1 4.19Å; V525-I549 HydrophobicContact CG2-CG2 3.91Å
526	Y	91.5	Very high	86.6	Confident	48 Å²	48	37 Å²	37	19%	0.188	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156	175.4	59.8	-94	0	0	0	110.6	V410 T411 E413 T544 N546	V410-Y526 WeakPolarHBondContact CA-O 3.38Å; T411-Y526 HydrophobicContact CG2-CE1 4.08Å; T411-Y526 HydrophobicContact CG2-CE2 4.27Å; T411-Y526 WeakPolarHBondContact CG2-OH 3.36Å; T411-Y526 PolarHBondContact N-O 2.85Å; T411-Y526 PolarHBondContact O-N 3.02Å; E413-Y526 HydrophobicContact CB-CE1 4.23Å; Y526-T544 WeakPolarHBondContact CA-OG1 3.19Å; Y526-N546 VanDerWaalsContact CD1-OD1 3.32Å; Y526-N546 WeakPolarHBondContact CD1-OD1 3.32Å
527	A	92.8	Very high	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.5	173.3	0	0	0	0	0	109.9	I378 V395 L408 T409 V410 S543 T544	I378-A527 HydrophobicContact CD1-CB 4.12Å; V395-A527 HydrophobicContact CG2-CB 3.67Å; L408-A527 HydrophobicContact CD1-CB 3.85Å; T409-A527 CarbonylContact O-C 3.59Å; T409-A527 WeakPolarHBondContact O-CA 3.46Å; V410-A527 HydrophobicContact CG2-CB 4.18Å; A527-S543 CarbonylContact O-C 3.59Å; A527-S543 WeakPolarHBondContact O-CA 3.03Å; A527-T544 HydrophobicContact CB-CG2 4.02Å; A527-T544 PolarHBondContact N-OG1 2.85Å; A527-T544 PolarHBondContact O-N 2.83Å
528	S	93.2	Very high	88	Confident	25 Å²	25	47.4 Å²	47.4	18%	0.175	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.8	171.3	-62.3	0	0	0	0	109.5	T409 I542 S543	T409-S528 PolarHBondContact N-O 2.9Å; T409-S528 PolarHBondContact O-N 3.5Å; S528-I542 CarbonylContact C-O 3.58Å; S528-I542 WeakPolarHBondContact CA-O 3.37Å; S528-S543 WeakPolarHBondContact CB-OG 3.32Å; S528-S543 PolarHBondContact OG-OG 3.04Å
529	M	93.3	Very high	88.4	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.9	-173.8	-64.6	-177.5	-58.4	0	0	111.6	V376 V395 I397 L405 T407 L408 L531 T541 I542	V376-M529 HydrophobicContact CB-CE 4.33Å; V376-M529 HydrophobicContact CG1-CE 3.55Å; V376-M529 HydrophobicContact CG2-CE 3.79Å; V395-M529 HydrophobicContact CG1-CE 4.45Å; V395-M529 HydrophobicContact CG1-SD 3.87Å; I397-M529 HydrophobicContact CD1-CE 4.23Å; I397-M529 HydrophobicContact CD1-SD 3.49Å; I397-M529 WeakPolarHBondContact CD1-SD 3.09Å; I397-M529 HydrophobicContact CG1-CE 4.27Å; I397-M529 HydrophobicContact CG1-SD 3.97Å; L405-M529 HydrophobicContact CD1-CB 4.15Å; L405-M529 HydrophobicContact CD1-CG 4.36Å; L405-M529 HydrophobicContact CD1-SD 4.5Å; T407-M529 CarbonylContact O-C 3.35Å; T407-M529 VanDerWaalsContact O-CA 3.3Å; T407-M529 WeakPolarHBondContact O-CA 3.44Å; L408-M529 HydrophobicContact CB-CG 4.2Å; L408-M529 HydrophobicContact CD1-CG 3.38Å; L408-M529 HydrophobicContact CD1-SD 3.99Å; L408-M529 HydrophobicContact CG-CG 4.33Å; M529-L531 HydrophobicContact CB-CD2 4.31Å; M529-L531 HydrophobicContact CB-CG 4.36Å; M529-T541 CarbonylContact O-C 3.51Å; M529-T541 VanDerWaalsContact O-CA 3.29Å; M529-T541 WeakPolarHBondContact O-CA 3.28Å; M529-I542 HydrophobicContact CB-CG1 4.31Å; M529-I542 HydrophobicContact CE-CD1 3.86Å; M529-I542 HydrophobicContact CE-CG1 4.07Å; M529-I542 PolarHBondContact N-O 3.12Å; M529-I542 PolarHBondContact O-N 3.21Å
530	R	93.6	Very high	88.9	Confident	70 Å²	70	49 Å²	49	26%	0.264	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	101.5	176.5	-166	178.2	113	-121	-0.8	109.7	N406 T407 D440 S539	N406-R530 WeakPolarHBondContact CB-O 3.49Å; N406-R530 PolarHBondContact N-O 3.16Å; N406-R530 PolarHBondContact ND2-O 2.74Å; T407-R530 VanDerWaalsContact CG2-NH1 3.33Å; T407-R530 PolarHBondContact O-N 2.91Å; T407-R530 WeakPolarHBondContact OG1-CB 3.31Å; D440-R530 IonicContact OD1-CZ 3.11Å; D440-R530 IonicContact OD1-NH1 3.38Å; D440-R530 PolarHBondContact OD1-NH1 3.02Å; D440-R530 IonicContact OD1-NH2 3.16Å; D440-R530 IonicContact OD2-CZ 2.65Å; D440-R530 IonicContact OD2-NH1 3.08Å; D440-R530 PolarHBondContact OD2-NH1 2.84Å; D440-R530 VanDerWaalsContact OD2-NH1 3.16Å; D440-R530 IonicContact OD2-NH2 2.56Å; D440-R530 PolarHBondContact OD2-NH2 2.84Å; R530-S539 WeakPolarHBondContact CD-OG 3.34Å; R530-S539 VanDerWaalsContact CG-OG 3.24Å; R530-S539 WeakPolarHBondContact CG-OG 3.24Å; R530-S539 PolarHBondContact NE-OG 2.84Å; R530-S539 VanDerWaalsContact NE-OG 3.15Å
531	L	93.2	Very high	89.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.1	-174.1	-58.6	-176.5	0	0	0	111.2	L369 V373 I403 K404 L405 M529 S539 V540 I542	L369-L531 HydrophobicContact CD1-CB 3.57Å; L369-L531 HydrophobicContact CD1-CD1 4.15Å; L369-L531 HydrophobicContact CD1-CG 4.47Å; V373-L531 HydrophobicContact CG2-CD1 4.13Å; I403-L531 HydrophobicContact CG2-CB 4.17Å; I403-L531 HydrophobicContact CG2-CD1 4.27Å; I403-L531 HydrophobicContact CG2-CD2 3.88Å; I403-L531 HydrophobicContact CG2-CG 4.33Å; K404-L531 WeakPolarHBondContact O-CA 3.5Å; L405-L531 HydrophobicContact CB-CD2 4.04Å; L405-L531 HydrophobicContact CD1-CD2 3.51Å; L405-L531 HydrophobicContact CG-CD2 4.36Å; M529-L531 HydrophobicContact CB-CD2 4.31Å; M529-L531 HydrophobicContact CB-CG 4.36Å; L531-S539 CarbonylContact O-C 3.53Å; L531-S539 WeakPolarHBondContact O-CA 3.41Å; L531-S539 WeakPolarHBondContact O-CB 3.25Å; L531-V540 PolarHBondContact N-O 3.44Å; L531-V540 PolarHBondContact O-N 3.42Å; L531-I542 HydrophobicContact CD1-CD1 3.59Å; L531-I542 HydrophobicContact CD1-CG1 4.07Å
532	S	92.2	Very high	89.3	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162.1	165	66.2	0	0	0	0	110.4	K404 N406 E536 N538	K404-S532 PolarHBondContact N-O 2.87Å; K404-S532 PolarHBondContact O-N 2.81Å; N406-S532 PolarHBondContact ND2-OG 3.1Å; S532-E536 WeakPolarHBondContact CB-O 3.47Å; S532-E536 PolarHBondContact OG-O 2.89Å; S532-N538 WeakPolarHBondContact CB-O 3.13Å
533	R	90.5	Very high	89.2	Confident	67 Å²	67	50.9 Å²	50.9	25%	0.253	27%	0.271	S	S	.	.			trans	-66.6	162.1	162.4	-63	-168.1	-178.9	96.7	3.7	109.8	E368 L369 S372 D535 E536	E368-R533 PolarHBondContact O-NH2 3.04Å; L369-R533 HydrophobicContact CD2-CG 4.33Å; S372-R533 PolarHBondContact OG-NE 3.43Å; R533-D535 VanDerWaalsContact C-N 3.3Å; R533-D535 PolarHBondContact O-N 2.86Å; R533-E536 HydrophobicContact CB-CB 4.06Å; R533-E536 HydrophobicContact CB-CG 3.92Å; R533-E536 WeakPolarHBondContact CB-OE2 3.38Å; R533-E536 WeakPolarHBondContact CD-OE1 3Å; R533-E536 VanDerWaalsContact CG-OE2 3.28Å; R533-E536 WeakPolarHBondContact CG-OE2 3.28Å; R533-E536 IonicContact CZ-OE1 2.78Å; R533-E536 IonicContact NE-OE1 2.7Å; R533-E536 IonicContact NH1-OE1 3.97Å; R533-E536 PolarHBondContact NH1-OE1 3.06Å; R533-E536 IonicContact NH1-OE2 3.44Å; R533-E536 PolarHBondContact NH1-OE2 3.39Å; R533-E536 PolarHBondContact O-N 3.5Å
534	P	86.1	Confident	89	Confident	51 Å²	51	51.2 Å²	51.2	33%	0.331	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.7	-174.2	-24.4	35.4	0	0	0	113.1	P402	P402-P534 HydrophobicContact CB-CG 4.04Å; P402-P534 WeakPolarHBondContact O-CD 3.42Å
535	D	83.6	Confident	88.7	Confident	157 Å²	157	53.6 Å²	53.6	84%	0.84	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.4	-176.1	-49.6	-73.5	0	0	0	113.6	R533	R533-D535 VanDerWaalsContact C-N 3.3Å; R533-D535 PolarHBondContact O-N 2.86Å
536	E	81.7	Confident	88.5	Confident	75 Å²	75	56.8 Å²	56.8	35%	0.35	31%	0.305	S	S	.	.			trans	-98.6	124.8	-179.7	-72.7	174.7	178.4	0	0	111.4	S532 R533 N538	S532-E536 WeakPolarHBondContact CB-O 3.47Å; S532-E536 PolarHBondContact OG-O 2.89Å; R533-E536 HydrophobicContact CB-CB 4.06Å; R533-E536 HydrophobicContact CB-CG 3.92Å; R533-E536 WeakPolarHBondContact CB-OE2 3.38Å; R533-E536 WeakPolarHBondContact CD-OE1 3Å; R533-E536 VanDerWaalsContact CG-OE2 3.28Å; R533-E536 WeakPolarHBondContact CG-OE2 3.28Å; R533-E536 IonicContact CZ-OE1 2.78Å; R533-E536 IonicContact NE-OE1 2.7Å; R533-E536 IonicContact NH1-OE1 3.97Å; R533-E536 PolarHBondContact NH1-OE1 3.06Å; R533-E536 IonicContact NH1-OE2 3.44Å; R533-E536 PolarHBondContact NH1-OE2 3.39Å; R533-E536 PolarHBondContact O-N 3.5Å; E536-N538 VanDerWaalsContact C-N 3.33Å
537	N	76.4	Confident	88.2	Confident	161 Å²	161	55 Å²	55	86%	0.861	30%	0.299	S	S	*	.	S	Bend	trans	-75.9	-20.7	172.4	-73.7	-37	0	0	0	113.2
538	N	84.7	Confident	87.9	Confident	134 Å²	134	58.6 Å²	58.6	72%	0.717	32%	0.318	S	S	*	.			trans	-76.8	128.7	176.4	-70.3	-8.9	0	0	0	109.4	S532 E536	S532-N538 WeakPolarHBondContact CB-O 3.13Å; E536-N538 VanDerWaalsContact C-N 3.33Å
539	S	87.3	Confident	87.7	Confident	44 Å²	44	57.7 Å²	57.7	31%	0.308	31%	0.311	S	S	.	.			trans	-118	122.7	178.9	67.8	0	0	0	0	112	R530 L531	R530-S539 WeakPolarHBondContact CD-OG 3.34Å; R530-S539 VanDerWaalsContact CG-OG 3.24Å; R530-S539 WeakPolarHBondContact CG-OG 3.24Å; R530-S539 PolarHBondContact NE-OG 2.84Å; R530-S539 VanDerWaalsContact NE-OG 3.15Å; L531-S539 CarbonylContact O-C 3.53Å; L531-S539 WeakPolarHBondContact O-CA 3.41Å; L531-S539 WeakPolarHBondContact O-CB 3.25Å
540	V	90.4	Very high	87.4	Confident	41 Å²	41	62 Å²	62	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.1	176.2	-176.8	0	0	0	0	109.5	L369 L531 I542	L369-V540 HydrophobicContact CD1-CB 3.91Å; L369-V540 HydrophobicContact CD1-CG2 4.31Å; L369-V540 HydrophobicContact CG-CB 4.3Å; L369-V540 HydrophobicContact CG-CG2 4.22Å; L531-V540 PolarHBondContact N-O 3.44Å; L531-V540 PolarHBondContact O-N 3.42Å; V540-I542 HydrophobicContact CG1-CG2 4.14Å
541	T	90.6	Very high	87.1	Confident	92 Å²	92	58.6 Å²	58.6	56%	0.564	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.5	170.9	-58.3	0	0	0	0	109.9	M529	M529-T541 CarbonylContact O-C 3.51Å; M529-T541 VanDerWaalsContact O-CA 3.29Å; M529-T541 WeakPolarHBondContact O-CA 3.28Å
542	I	89.9	Confident	86.8	Confident	11 Å²	11	60.1 Å²	60.1	6%	0.056	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.3	172.4	63.9	169.4	0	0	0	110.3	F366 V376 S528 M529 L531 V540	F366-I542 HydrophobicContact CD1-CD1 3.72Å; F366-I542 HydrophobicContact CE1-CD1 4.01Å; V376-I542 HydrophobicContact CG2-CD1 3.99Å; S528-I542 CarbonylContact C-O 3.58Å; S528-I542 WeakPolarHBondContact CA-O 3.37Å; M529-I542 HydrophobicContact CB-CG1 4.31Å; M529-I542 HydrophobicContact CE-CD1 3.86Å; M529-I542 HydrophobicContact CE-CG1 4.07Å; M529-I542 PolarHBondContact N-O 3.12Å; M529-I542 PolarHBondContact O-N 3.21Å; L531-I542 HydrophobicContact CD1-CD1 3.59Å; L531-I542 HydrophobicContact CD1-CG1 4.07Å; V540-I542 HydrophobicContact CG1-CG2 4.14Å
543	S	88.7	Confident	86.5	Confident	53 Å²	53	60 Å²	60	37%	0.371	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.9	176.4	-58.4	0	0	0	0	111.8	L362 A527 S528	L362-S543 WeakPolarHBondContact CD2-O 3.41Å; A527-S543 CarbonylContact O-C 3.59Å; A527-S543 WeakPolarHBondContact O-CA 3.03Å; S528-S543 WeakPolarHBondContact CB-OG 3.32Å; S528-S543 PolarHBondContact OG-OG 3.04Å
544	T	88.1	Confident	86.1	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.049	31%	0.313	C	S	.	.			trans	-81.2	165.1	176.1	66.1	0	0	0	0	112.4	V376 I378 Y526 A527	V376-T544 HydrophobicContact CG1-CG2 3.63Å; I378-T544 HydrophobicContact CB-CG2 4.21Å; I378-T544 HydrophobicContact CG2-CG2 4.19Å; I378-T544 WeakPolarHBondContact CG2-OG1 3.26Å; Y526-T544 WeakPolarHBondContact CA-OG1 3.19Å; A527-T544 HydrophobicContact CB-CG2 4.02Å; A527-T544 PolarHBondContact N-OG1 2.85Å; A527-T544 PolarHBondContact O-N 2.83Å
545	D	84.8	Confident	85.8	Confident	84 Å²	84	54.5 Å²	54.5	45%	0.449	30%	0.297	S	S	.	.			trans	-59.4	155.9	164.6	-69.7	-58	0	0	0	112.6	A360	A360-D545 HydrophobicContact CB-CB 4.46Å
546	N	85.8	Confident	85.5	Confident	66 Å²	66	47.8 Å²	47.8	35%	0.353	26%	0.262	S	S	.	.			trans	-81.7	112.7	-176.9	-75.6	21.4	0	0	0	112.6	E413 Y524 Y526	E413-N546 PolarHBondContact OE2-ND2 2.87Å; Y524-N546 HydrophobicContact CD1-CB 3.5Å; Y524-N546 VanDerWaalsContact CD1-CB 3.5Å; Y524-N546 HydrophobicContact CE1-CB 4.03Å; Y524-N546 HydrophobicContact CG-CB 3.86Å; Y526-N546 VanDerWaalsContact CD1-OD1 3.32Å; Y526-N546 WeakPolarHBondContact CD1-OD1 3.32Å
547	L	86	Confident	85.4	Confident	11 Å²	11	46.4 Å²	46.4	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.9	170.8	-86.8	171.4	0	0	0	112.1	K358 A360 I378 I380 Y524 V525 I549	K358-L547 HydrophobicContact CB-CD2 4.36Å; A360-L547 HydrophobicContact CB-CD1 4.25Å; A360-L547 HydrophobicContact CB-CD2 3.63Å; A360-L547 HydrophobicContact CB-CG 3.58Å; I378-L547 HydrophobicContact CB-CD1 4.44Å; I378-L547 HydrophobicContact CG1-CD1 4.13Å; I378-L547 HydrophobicContact CG2-CD1 3.82Å; I378-L547 HydrophobicContact CG2-CG 4.26Å; I380-L547 HydrophobicContact CB-CD1 4.3Å; I380-L547 HydrophobicContact CD1-CB 3.73Å; I380-L547 HydrophobicContact CD1-CD1 3.49Å; I380-L547 VanDerWaalsContact CD1-CD1 3.49Å; I380-L547 HydrophobicContact CD1-CG 4.22Å; I380-L547 HydrophobicContact CG1-CD1 3.68Å; Y524-L547 CarbonylContact C-O 3.55Å; Y524-L547 VanDerWaalsContact CA-O 3.26Å; Y524-L547 WeakPolarHBondContact CA-O 3.5Å; V525-L547 PolarHBondContact N-O 2.91Å; V525-L547 PolarHBondContact O-N 3.1Å; L547-I549 PolarHBondContact O-N 3.17Å
548	N	86.6	Confident	85.7	Confident	75 Å²	75	40.9 Å²	40.9	40%	0.401	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121	169.3	-70.3	-92.9	0	0	0	110.6	Y524	Y524-N548 HydrophobicContact CE1-CB 4.48Å; Y524-N548 VanDerWaalsContact CE1-CG 3.45Å; Y524-N548 WeakPolarHBondContact CE1-ND2 3.1Å; Y524-N548 VanDerWaalsContact CE1-OD1 3.29Å; Y524-N548 WeakPolarHBondContact CE1-OD1 3.48Å
549	I	87.3	Confident	85.6	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.6	165.1	69.9	172.9	0	0	0	111.2	I380 V385 L391 S504 Y523 V525 L547 V551	I380-I549 HydrophobicContact CD1-CG2 3.59Å; V385-I549 HydrophobicContact CG1-CD1 4.26Å; L391-I549 HydrophobicContact CD1-CD1 4.14Å; L391-I549 HydrophobicContact CD1-CG2 4.25Å; L391-I549 HydrophobicContact CD2-CD1 4.17Å; L391-I549 HydrophobicContact CD2-CG2 4.33Å; S504-I549 PolarHBondContact OG-O 3.19Å; Y523-I549 PolarHBondContact O-N 3.43Å; V525-I549 HydrophobicContact CG2-CD1 3.81Å; V525-I549 HydrophobicContact CG2-CG1 4.19Å; V525-I549 HydrophobicContact CG2-CG2 3.91Å; L547-I549 PolarHBondContact O-N 3.17Å; I549-V551 HydrophobicContact CD1-CG2 4.43Å
550	K	87.6	Confident	85.6	Confident	91 Å²	91	39.4 Å²	39.4	40%	0.396	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114	170.8	-167	-175.7	-174.8	-168.7	0	108.7	S383 A384 V385 L552 E766	S383-K550 PolarHBondContact O-N 3.34Å; A384-K550 VanDerWaalsContact CA-O 3.28Å; A384-K550 WeakPolarHBondContact CA-O 3.41Å; V385-K550 PolarHBondContact N-O 2.81Å; K550-L552 HydrophobicContact CD-CD2 3.73Å; K550-L552 HydrophobicContact CG-CD2 4.15Å; K550-E766 WeakPolarHBondContact CE-OE1 3.46Å; K550-E766 IonicContact NZ-OE1 3.84Å; K550-E766 PolarHBondContact NZ-OE1 2.83Å
551	V	88	Confident	85.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.3	167.2	-179.3	0	0	0	0	107.1	V385 P387 L497 H502 P503 S504 Y523 I549	V385-V551 HydrophobicContact CG1-CG2 4.32Å; V385-V551 CarbonylContact O-C 3.45Å; V385-V551 VanDerWaalsContact O-CA 3.32Å; V385-V551 WeakPolarHBondContact O-CA 3.3Å; P387-V551 HydrophobicContact CG-CG1 3.87Å; L497-V551 HydrophobicContact CD2-CB 4.18Å; L497-V551 HydrophobicContact CD2-CG1 3.64Å; L497-V551 HydrophobicContact CD2-CG2 3.42Å; L497-V551 VanDerWaalsContact CD2-CG2 3.42Å; H502-V551 WeakPolarHBondContact O-CG1 3.36Å; P503-V551 CarbonylContact C-O 3.41Å; P503-V551 VanDerWaalsContact CA-O 3.28Å; P503-V551 WeakPolarHBondContact CA-O 3.31Å; P503-V551 WeakPolarHBondContact CB-O 3.29Å; S504-V551 PolarHBondContact N-O 2.88Å; S504-V551 PolarHBondContact OG-N 2.78Å; Y523-V551 HydrophobicContact CD1-CG2 4.45Å; Y523-V551 HydrophobicContact CD2-CB 3.99Å; Y523-V551 HydrophobicContact CD2-CG2 3.27Å; Y523-V551 HydrophobicContact CE2-CB 3.74Å; Y523-V551 HydrophobicContact CE2-CG1 4.45Å; Y523-V551 HydrophobicContact CE2-CG2 3.36Å; Y523-V551 HydrophobicContact CG-CG2 3.85Å; I549-V551 HydrophobicContact CD1-CG2 4.43Å
552	L	87.1	Confident	85.4	Confident	31 Å²	31	41.3 Å²	41.3	16%	0.162	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-85.9	135.3	-178.1	-63.5	178.3	0	0	0	110.3	A384 V385 V386 P387 K550 C554 E766	A384-L552 HydrophobicContact CB-CD1 4.12Å; A384-L552 HydrophobicContact CB-CD2 4.49Å; A384-L552 HydrophobicContact CB-CG 4.26Å; V385-L552 PolarHBondContact O-N 2.99Å; V386-L552 HydrophobicContact CG1-CB 4.17Å; P387-L552 VanDerWaalsContact CD-O 3.32Å; P387-L552 WeakPolarHBondContact CD-O 3.29Å; K550-L552 HydrophobicContact CD-CD2 3.73Å; K550-L552 HydrophobicContact CG-CD2 4.15Å; L552-C554 PolarHBondContact O-N 3.16Å; L552-E766 WeakPolarHBondContact CA-OE2 3.46Å; L552-E766 HydrophobicContact CD2-CB 4.47Å; L552-E766 WeakPolarHBondContact CD2-OE1 3.46Å
553	S	85.5	Confident	85.4	Confident	2 Å²	2	46 Å²	46	1%	0.014	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.2	129.7	171.1	-173.1	0	0	0	0	110.5	E766 Q767	S553-E766 PolarHBondContact N-OE2 2.85Å; S553-E766 PolarHBondContact O-N 2.89Å; S553-Q767 PolarHBondContact O-N 2.91Å
554	C	82.4	Confident	85.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.8	-175.5	-158	0	0	0	0	113.2	V386 L552 Q767 Y772	V386-C554 HydrophobicContact CB-CB 3.99Å; V386-C554 HydrophobicContact CG1-CB 3.75Å; L552-C554 PolarHBondContact O-N 3.16Å; C554-Q767 VanDerWaalsContact CA-O 3.26Å; C554-Q767 WeakPolarHBondContact CA-O 3.38Å; C554-Q767 PolarHBondContact SG-O 2.76Å; C554-Y772 HydrophobicContact CB-CD1 4.35Å; C554-Y772 HydrophobicContact CB-CD2 3.97Å; C554-Y772 HydrophobicContact CB-CE1 4.22Å; C554-Y772 HydrophobicContact CB-CE2 3.85Å; C554-Y772 HydrophobicContact CB-CG 4.21Å; C554-Y772 WeakPolarHBondContact O-CE1 3.43Å
555	G	78.9	Confident	85.5	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	168.5	172.5	0	0	0	0	0	111.8	Q767 R768 S769	G555-Q767 PolarHBondContact N-O 3.41Å; G555-R768 CarbonylContact O-C 3.53Å; G555-R768 VanDerWaalsContact O-CA 3.26Å; G555-R768 WeakPolarHBondContact O-CA 3.45Å; G555-S769 PolarHBondContact O-N 3.13Å
556	P	78.3	Confident	85.8	Confident	16 Å²	16	50.3 Å²	50.3	10%	0.104	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64	157.5	170.9	25.7	-32.8	0	0	0	112.3	I589 S769 Y772 M774	P556-I589 VanDerWaalsContact CD-CD1 3.45Å; P556-I589 HydrophobicContact CG-CD1 3.6Å; P556-S769 WeakPolarHBondContact CA-O 3.27Å; P556-Y772 VanDerWaalsContact CD-O 3.29Å; P556-Y772 WeakPolarHBondContact CD-O 3.48Å; P556-M774 VanDerWaalsContact CD-CG 3.4Å; P556-M774 HydrophobicContact CG-CG 4.16Å
557	P	79.4	Confident	85.9	Confident	47 Å²	47	47.6 Å²	47.6	31%	0.305	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-71.6	167.2	168.7	33.9	-37.1	0	0	0	111.5	Y559 S769 K770	P557-Y559 PolarHBondContact O-N 2.99Å; P557-S769 WeakPolarHBondContact CD-O 3.18Å; P557-K770 HydrophobicContact CG-CG 4.07Å
558	N	83.2	Confident	86	Confident	45 Å²	45	47.1 Å²	47.1	24%	0.241	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-54.1	137.5	175.3	-48.2	25.6	0	0	0	110.5	N587	N558-N587 PolarHBondContact ND2-ND2 2.86Å; N558-N587 PolarHBondContact OD1-ND2 3.39Å
559	Y	82.3	Confident	85.8	Confident	69 Å²	69	44.1 Å²	44.1	27%	0.271	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-69	133.8	174.6	-66.6	-71.5	0	0	0	110.8	P557 I567 L672 Y678	P557-Y559 PolarHBondContact O-N 2.99Å; Y559-I567 PolarHBondContact O-N 3.18Å; Y559-L672 HydrophobicContact CD1-CD1 4.02Å; Y559-L672 HydrophobicContact CD2-CD1 4.21Å; Y559-L672 HydrophobicContact CG-CD1 3.79Å; Y559-Y678 HydrophobicContact CE1-CD1 4.21Å; Y559-Y678 PolarHBondContact OH-O 2.99Å; Y559-Y678 VanDerWaalsContact OH-O 3.14Å
560	T	87.5	Confident	85.5	Confident	78 Å²	78	44 Å²	44	48%	0.479	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-133	146.3	176.2	60.5	0	0	0	0	111.4	E565 I567	T560-E565 CarbonylContact C-O 3.51Å; T560-E565 WeakPolarHBondContact CA-O 3.32Å; T560-E565 VanDerWaalsContact CB-O 3.32Å; T560-E565 WeakPolarHBondContact CB-O 3.26Å; T560-I567 VanDerWaalsContact C-CD1 3.49Å
561	L	88	Confident	85.4	Confident	34 Å²	34	40.5 Å²	40.5	18%	0.178	23%	0.23	C	C	.	.			trans	-64.5	168.6	165.3	-71.7	178.8	0	0	0	111.2	N563 G564 E565 I567 A664 A665 E668	L561-N563 WeakPolarHBondContact CB-OD1 3.47Å; L561-N563 PolarHBondContact O-N 2.98Å; L561-G564 PolarHBondContact O-N 2.81Å; L561-E565 HydrophobicContact CB-CB 4.41Å; L561-E565 HydrophobicContact CD1-CB 4.36Å; L561-E565 PolarHBondContact N-O 3.04Å; L561-I567 HydrophobicContact CD2-CD1 4.09Å; L561-I567 HydrophobicContact CD2-CG1 4.24Å; L561-I567 HydrophobicContact CG-CD1 4.18Å; L561-I567 HydrophobicContact CG-CG1 3.94Å; L561-A664 HydrophobicContact CD1-CB 3.9Å; L561-A665 HydrophobicContact CD1-CB 4.01Å; L561-E668 HydrophobicContact CD2-CB 3.95Å; L561-E668 HydrophobicContact CD2-CG 3.95Å
562	S	87.2	Confident	85.1	Confident	139 Å²	139	41.4 Å²	41.4	97%	0.972	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.1	179.9	52.5	0	0	0	0	114.6	G564	S562-G564 VanDerWaalsContact C-N 3.32Å
563	N	90.4	Very high	85	Confident	110 Å²	110	40.2 Å²	40.2	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5	170.9	65.6	-7.6	0	0	0	113.4	L561 E565	L561-N563 WeakPolarHBondContact CB-OD1 3.47Å; L561-N563 PolarHBondContact O-N 2.98Å; N563-E565 WeakPolarHBondContact OD1-CB 3.21Å; N563-E565 PolarHBondContact OD1-N 3.5Å
564	G	88.9	Confident	84.9	Confident	50 Å²	50	40.6 Å²	40.6	52%	0.515	23%	0.23	S	C	.	.	S	Bend	trans	88	-0.1	-175.4	0	0	0	0	0	115.4	L561 S562	L561-G564 PolarHBondContact O-N 2.81Å; S562-G564 VanDerWaalsContact C-N 3.32Å
565	E	90.5	Very high	85	Confident	51 Å²	51	44.5 Å²	44.5	24%	0.238	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.3	139.3	175.4	-171.4	-174.1	174.7	0	0	111.2	T560 L561 N563 S662	T560-E565 CarbonylContact C-O 3.51Å; T560-E565 WeakPolarHBondContact CA-O 3.32Å; T560-E565 VanDerWaalsContact CB-O 3.32Å; T560-E565 WeakPolarHBondContact CB-O 3.26Å; L561-E565 HydrophobicContact CB-CB 4.41Å; L561-E565 HydrophobicContact CD1-CB 4.36Å; L561-E565 PolarHBondContact N-O 3.04Å; N563-E565 WeakPolarHBondContact OD1-CB 3.21Å; N563-E565 PolarHBondContact OD1-N 3.5Å; E565-S662 WeakPolarHBondContact OE1-CA 3.39Å; E565-S662 WeakPolarHBondContact OE1-CB 3.19Å; E565-S662 PolarHBondContact OE1-N 2.76Å; E565-S662 PolarHBondContact OE1-OG 2.79Å; E565-S662 WeakPolarHBondContact OE2-CB 3.33Å; E565-S662 PolarHBondContact OE2-OG 3.49Å
566	R	90.2	Very high	85.1	Confident	134 Å²	134	44.5 Å²	44.5	51%	0.506	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-73.3	136.3	179	-62.1	-176.8	-176.3	178.9	2.6	111	E586 Y661	R566-E586 WeakPolarHBondContact CD-OE1 3.27Å; R566-E586 IonicContact CZ-OE1 2.74Å; R566-E586 IonicContact NE-OE1 3.74Å; R566-E586 IonicContact NH1-OE1 2.84Å; R566-E586 PolarHBondContact NH1-OE1 3.26Å; R566-Y661 WeakPolarHBondContact O-CD1 3.42Å
567	I	88.7	Confident	85.3	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.046	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-96.2	127.7	173.3	-62.3	157.6	0	0	0	107.9	Y559 T560 L561 A569 E668 L672	Y559-I567 PolarHBondContact O-N 3.18Å; T560-I567 VanDerWaalsContact C-CD1 3.49Å; L561-I567 HydrophobicContact CD2-CD1 4.09Å; L561-I567 HydrophobicContact CD2-CG1 4.24Å; L561-I567 HydrophobicContact CG-CD1 4.18Å; L561-I567 HydrophobicContact CG-CG1 3.94Å; I567-A569 PolarHBondContact O-N 3.22Å; I567-E668 HydrophobicContact CD1-CB 4.35Å; I567-E668 HydrophobicContact CD1-CG 3.59Å; I567-E668 HydrophobicContact CG1-CG 4.26Å; I567-L672 HydrophobicContact CD1-CD1 4.2Å; I567-L672 HydrophobicContact CG2-CD1 4.07Å
568	P	89	Confident	85.5	Confident	1 Å²	1	52 Å²	52	1%	0.006	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-63.5	126.2	176.2	22.8	-29.5	0	0	0	110.3	I570 M571 Y661 S669	P568-I570 VanDerWaalsContact C-N 3.26Å; P568-I570 PolarHBondContact O-N 3.09Å; P568-M571 HydrophobicContact CB-CG 4.14Å; P568-M571 HydrophobicContact CG-CG 3.83Å; P568-M571 HydrophobicContact CG-SD 3.66Å; P568-Y661 HydrophobicContact CB-CD2 3.93Å; P568-Y661 HydrophobicContact CB-CE1 4.38Å; P568-Y661 HydrophobicContact CB-CE2 3.64Å; P568-Y661 HydrophobicContact CB-CG 4.45Å; P568-Y661 HydrophobicContact CG-CD1 4.36Å; P568-Y661 HydrophobicContact CG-CD2 3.73Å; P568-Y661 HydrophobicContact CG-CE2 4Å; P568-Y661 HydrophobicContact CG-CG 3.96Å; P568-S669 VanDerWaalsContact O-CB 3.3Å; P568-S669 WeakPolarHBondContact O-CB 3.25Å; P568-S669 PolarHBondContact O-OG 2.88Å
569	A	82.5	Confident	85.7	Confident	12 Å²	12	51 Å²	51	10%	0.099	28%	0.281	C	S	.	.	S	Bend	trans	-67.3	-24.5	-177.5	0	0	0	0	0	113.7	I567 V585 E586 L588	I567-A569 PolarHBondContact O-N 3.22Å; A569-V585 PolarHBondContact N-O 2.9Å; A569-V585 VanDerWaalsContact N-O 3.08Å; A569-E586 PolarHBondContact N-O 2.71Å; A569-L588 HydrophobicContact CB-CD1 4.15Å; A569-L588 HydrophobicContact CB-CG 3.86Å
570	I	80.9	Confident	86.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.3	169	-70	-170.3	0	0	0	110.9	P568 K572 Q584 V585 L588 F673 L760	P568-I570 VanDerWaalsContact C-N 3.26Å; P568-I570 PolarHBondContact O-N 3.09Å; I570-K572 HydrophobicContact CG2-CB 4.16Å; I570-Q584 VanDerWaalsContact O-CA 3.28Å; I570-Q584 WeakPolarHBondContact O-CA 3.37Å; I570-V585 PolarHBondContact N-O 2.83Å; I570-V585 PolarHBondContact O-N 3.01Å; I570-L588 HydrophobicContact CD1-CD1 4.12Å; I570-L588 HydrophobicContact CD1-CD2 3.79Å; I570-L588 HydrophobicContact CD1-CG 4.46Å; I570-L588 HydrophobicContact CG1-CD1 4.02Å; I570-L588 HydrophobicContact CG1-CD2 4.13Å; I570-L588 HydrophobicContact CG1-CG 4.38Å; I570-F673 HydrophobicContact CD1-CE2 4.31Å; I570-F673 HydrophobicContact CG1-CD2 4.45Å; I570-F673 HydrophobicContact CG1-CE2 4.14Å; I570-L760 HydrophobicContact CD1-CD1 3.37Å; I570-L760 HydrophobicContact CD1-CD2 4.02Å; I570-L760 HydrophobicContact CD1-CG 4.3Å
571	M	84.4	Confident	86.2	Confident	17 Å²	17	47 Å²	47	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.4	160.4	-67.7	-173.2	49.6	0	0	109.1	P568 L582 I583 Q584 E666	P568-M571 HydrophobicContact CB-CG 4.14Å; P568-M571 HydrophobicContact CG-CG 3.83Å; P568-M571 HydrophobicContact CG-SD 3.66Å; M571-L582 HydrophobicContact CB-CD1 4.4Å; M571-L582 HydrophobicContact CE-CD1 4.47Å; M571-L582 HydrophobicContact CE-CD2 4.32Å; M571-I583 WeakPolarHBondContact CA-O 3.41Å; M571-Q584 VanDerWaalsContact CE-NE2 3.26Å; M571-Q584 HydrophobicContact CG-CB 4.4Å; M571-Q584 HydrophobicContact CG-CG 4.05Å; M571-Q584 PolarHBondContact SD-NE2 2.97Å; M571-E666 HydrophobicContact CE-CB 3.83Å; M571-E666 HydrophobicContact CE-CG 3.79Å; M571-E666 HydrophobicContact SD-CB 3.65Å; M571-E666 HydrophobicContact SD-CG 3.61Å
572	K	82	Confident	86.4	Confident	20 Å²	20	45.3 Å²	45.3	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	131.4	-175.1	-159.3	165.6	-167.4	166	0	112.2	I570 I583 F686 V688	I570-K572 HydrophobicContact CG2-CB 4.16Å; K572-I583 HydrophobicContact CB-CG2 4.18Å; K572-I583 PolarHBondContact N-O 3.42Å; K572-I583 WeakPolarHBondContact O-CG2 3.36Å; K572-I583 PolarHBondContact O-N 2.76Å; K572-F686 PolarHBondContact NZ-O 3.08Å; K572-F686 VanDerWaalsContact NZ-O 3.07Å; K572-V688 HydrophobicContact CD-CG2 3.78Å
573	T	84	Confident	86.5	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	153.2	175.9	50.2	0	0	0	0	111.6	M581 L582 S707 D710 L711	T573-M581 CarbonylContact C-O 3.59Å; T573-M581 WeakPolarHBondContact CA-O 3.48Å; T573-L582 HydrophobicContact CG2-CB 4.19Å; T573-L582 HydrophobicContact CG2-CD1 3.93Å; T573-S707 WeakPolarHBondContact CG2-O 3.08Å; T573-S707 PolarHBondContact N-OG 2.99Å; T573-S707 WeakPolarHBondContact OG1-CB 3.12Å; T573-S707 PolarHBondContact OG1-O 3.12Å; T573-S707 PolarHBondContact OG1-OG 2.89Å; T573-D710 HydrophobicContact CG2-CB 4.1Å; T573-D710 PolarHBondContact OG1-OD2 2.79Å; T573-L711 HydrophobicContact CG2-CB 4.03Å
574	F	84.7	Confident	86.5	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	150.5	174.7	59.3	-82.4	0	0	0	110.9	M581 I583 L600 I749 M756 Y758	F574-M581 HydrophobicContact CD1-CB 4.1Å; F574-M581 HydrophobicContact CD2-CB 3.88Å; F574-M581 HydrophobicContact CD2-CG 4.06Å; F574-M581 HydrophobicContact CE1-CB 3.72Å; F574-M581 HydrophobicContact CE2-CB 3.5Å; F574-M581 VanDerWaalsContact CE2-CB 3.5Å; F574-M581 HydrophobicContact CE2-CG 3.6Å; F574-M581 HydrophobicContact CG-CB 4.16Å; F574-M581 HydrophobicContact CZ-CB 3.41Å; F574-M581 VanDerWaalsContact CZ-CB 3.41Å; F574-M581 HydrophobicContact CZ-CG 3.95Å; F574-M581 PolarHBondContact N-O 2.65Å; F574-M581 WeakPolarHBondContact O-CA 3.36Å; F574-M581 VanDerWaalsContact O-CB 3.29Å; F574-M581 WeakPolarHBondContact O-CB 3.48Å; F574-M581 PolarHBondContact O-N 2.88Å; F574-I583 HydrophobicContact CD1-CG2 4.47Å; F574-I583 HydrophobicContact CE1-CB 4.09Å; F574-I583 HydrophobicContact CE1-CG2 4Å; F574-L600 HydrophobicContact CZ-CD2 4.28Å; F574-I749 HydrophobicContact CE2-CD1 3.75Å; F574-I749 HydrophobicContact CZ-CD1 3.57Å; F574-M756 HydrophobicContact CD2-CE 4.03Å; F574-M756 HydrophobicContact CE2-CE 4.36Å; F574-Y758 HydrophobicContact CD1-CD2 4.43Å; F574-Y758 HydrophobicContact CE1-CD2 4.34Å
575	T	84.4	Confident	86.6	Confident	83 Å²	83	31.2 Å²	31.2	51%	0.509	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.4	179.9	53.9	0	0	0	0	112.3	R579 M756	T575-R579 CarbonylContact C-O 3.51Å; T575-R579 VanDerWaalsContact CA-O 3.26Å; T575-R579 WeakPolarHBondContact CA-O 3.4Å; T575-M756 WeakPolarHBondContact O-CE 3.34Å
576	M	80.9	Confident	86.5	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.7	172.7	177.9	167.8	176	0	0	111.8	N578 R579 M581 I749 M756	M576-N578 PolarHBondContact O-N 3.12Å; M576-N578 VanDerWaalsContact O-N 3.17Å; M576-R579 PolarHBondContact N-O 3.41Å; M576-R579 VanDerWaalsContact O-CB 3.23Å; M576-R579 WeakPolarHBondContact O-CB 3.29Å; M576-R579 WeakPolarHBondContact O-CG 3.38Å; M576-R579 PolarHBondContact O-N 3.3Å; M576-M581 HydrophobicContact CB-CG 3.77Å; M576-M581 HydrophobicContact CB-SD 4.33Å; M576-I749 HydrophobicContact CE-CB 4.37Å; M576-I749 HydrophobicContact CE-CG2 3.9Å; M576-I749 HydrophobicContact SD-CB 3.87Å; M576-I749 HydrophobicContact SD-CG2 3.43Å; M576-I749 WeakPolarHBondContact SD-CG2 3.39Å; M576-M756 HydrophobicContact CB-CE 4.07Å; M576-M756 HydrophobicContact CE-CB 4.43Å; M576-M756 HydrophobicContact CE-CG 3.98Å; M576-M756 HydrophobicContact CG-CE 4.35Å; M576-M756 HydrophobicContact CG-CG 3.91Å; M576-M756 HydrophobicContact SD-CB 4.07Å; M576-M756 HydrophobicContact SD-CG 3.73Å
577	E	82	Confident	86.3	Confident	54 Å²	54	23.9 Å²	23.9	25%	0.252	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	41.1	179.4	-65.2	-174	171.1	0	0	113	R579 R753 K754	E577-R579 VanDerWaalsContact C-N 3.35Å; E577-R579 IonicContact OE2-NH1 2.66Å; E577-R579 PolarHBondContact OE2-NH1 3.46Å; E577-R753 WeakPolarHBondContact OE1-CB 3.47Å; E577-R753 PolarHBondContact OE1-N 3.24Å; E577-K754 PolarHBondContact OE1-N 3.36Å
578	N	83.7	Confident	86	Confident	165 Å²	165	23.7 Å²	23.7	88%	0.882	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	3.4	-174.9	-53.7	-7.4	0	0	0	117	M576	M576-N578 PolarHBondContact O-N 3.12Å; M576-N578 VanDerWaalsContact O-N 3.17Å
579	R	87.4	Confident	85.8	Confident	24 Å²	24	24.2 Å²	24.2	9%	0.091	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146	175.6	-52	172.7	175	86.2	33.6	111.1	T575 M576 E577 M581 D603 E604 A606	T575-R579 CarbonylContact C-O 3.51Å; T575-R579 VanDerWaalsContact CA-O 3.26Å; T575-R579 WeakPolarHBondContact CA-O 3.4Å; M576-R579 PolarHBondContact N-O 3.41Å; M576-R579 VanDerWaalsContact O-CB 3.23Å; M576-R579 WeakPolarHBondContact O-CB 3.29Å; M576-R579 WeakPolarHBondContact O-CG 3.38Å; M576-R579 PolarHBondContact O-N 3.3Å; E577-R579 VanDerWaalsContact C-N 3.35Å; E577-R579 IonicContact OE2-NH1 2.66Å; E577-R579 PolarHBondContact OE2-NH1 3.46Å; R579-M581 HydrophobicContact CB-SD 4.35Å; R579-D603 WeakPolarHBondContact CA-OD1 3.25Å; R579-D603 WeakPolarHBondContact CB-OD1 2.99Å; R579-E604 VanDerWaalsContact CD-O 3.26Å; R579-E604 WeakPolarHBondContact CD-O 3.35Å; R579-E604 HydrophobicContact CG-CB 4.11Å; R579-E604 IonicContact CZ-OE2 3.12Å; R579-E604 IonicContact NE-OE2 2.66Å; R579-E604 PolarHBondContact NE-OE2 2.87Å; R579-E604 IonicContact NH2-OE2 2.71Å; R579-E604 PolarHBondContact NH2-OE2 3.03Å; R579-A606 PolarHBondContact NH2-O 3.32Å
580	Q	90.4	Very high	86.2	Confident	63 Å²	63	23.8 Å²	23.8	29%	0.294	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.1	167.2	-63	-63.7	2.4	0	0	110.1	T602 D603 L711	Q580-T602 VanDerWaalsContact O-CA 3.32Å; Q580-T602 WeakPolarHBondContact O-CA 3.38Å; Q580-T602 PolarHBondContact O-OG1 2.93Å; Q580-D603 VanDerWaalsContact N-CG 3.26Å; Q580-D603 PolarHBondContact N-OD1 3.37Å; Q580-D603 PolarHBondContact N-OD2 3.41Å; Q580-D603 VanDerWaalsContact N-OD2 3.13Å; Q580-D603 PolarHBondContact O-N 3.11Å; Q580-L711 HydrophobicContact CB-CD1 4.07Å
581	M	90	Very high	86.7	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.6	173.5	-50.7	-61.1	-55.3	0	0	109.5	T573 F574 M576 R579 F601 T602 I608 F653	T573-M581 CarbonylContact C-O 3.59Å; T573-M581 WeakPolarHBondContact CA-O 3.48Å; F574-M581 HydrophobicContact CD1-CB 4.1Å; F574-M581 HydrophobicContact CD2-CB 3.88Å; F574-M581 HydrophobicContact CD2-CG 4.06Å; F574-M581 HydrophobicContact CE1-CB 3.72Å; F574-M581 HydrophobicContact CE2-CB 3.5Å; F574-M581 VanDerWaalsContact CE2-CB 3.5Å; F574-M581 HydrophobicContact CE2-CG 3.6Å; F574-M581 HydrophobicContact CG-CB 4.16Å; F574-M581 HydrophobicContact CZ-CB 3.41Å; F574-M581 VanDerWaalsContact CZ-CB 3.41Å; F574-M581 HydrophobicContact CZ-CG 3.95Å; F574-M581 PolarHBondContact N-O 2.65Å; F574-M581 WeakPolarHBondContact O-CA 3.36Å; F574-M581 VanDerWaalsContact O-CB 3.29Å; F574-M581 WeakPolarHBondContact O-CB 3.48Å; F574-M581 PolarHBondContact O-N 2.88Å; M576-M581 HydrophobicContact CB-CG 3.77Å; M576-M581 HydrophobicContact CB-SD 4.33Å; R579-M581 HydrophobicContact CB-SD 4.35Å; M581-F601 CarbonylContact C-O 3.58Å; M581-F601 WeakPolarHBondContact CA-O 3.19Å; M581-T602 PolarHBondContact SD-OG1 2.83Å; M581-I608 HydrophobicContact CE-CD1 3.77Å; M581-I608 HydrophobicContact SD-CD1 3.97Å; M581-F653 HydrophobicContact CE-CE1 4.04Å; M581-F653 HydrophobicContact CE-CE2 4.36Å; M581-F653 HydrophobicContact CE-CZ 3.52Å
582	L	91.3	Very high	86.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.4	165	170.1	67.2	0	0	0	108.2	M571 T573 Q584 L600 F601 L711	M571-L582 HydrophobicContact CB-CD1 4.4Å; M571-L582 HydrophobicContact CE-CD1 4.47Å; M571-L582 HydrophobicContact CE-CD2 4.32Å; T573-L582 HydrophobicContact CG2-CB 4.19Å; T573-L582 HydrophobicContact CG2-CD1 3.93Å; L582-Q584 HydrophobicContact CD2-CG 4.19Å; L582-Q584 HydrophobicContact CG-CG 4.15Å; L582-L600 CarbonylContact O-C 3.55Å; L582-L600 VanDerWaalsContact O-CA 3.3Å; L582-L600 WeakPolarHBondContact O-CA 3.48Å; L582-F601 HydrophobicContact CB-CB 4.35Å; L582-F601 HydrophobicContact CD2-CD2 4.37Å; L582-F601 PolarHBondContact N-O 3.27Å; L582-F601 PolarHBondContact O-N 3.49Å; L582-L711 HydrophobicContact CB-CB 4.39Å; L582-L711 HydrophobicContact CB-CD2 3.71Å
583	I	90.2	Very high	87.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.3	162.8	-171.3	170.7	0	0	0	109.7	M571 K572 F574 V585 I598 Y599 L600 V747 Y758	M571-I583 WeakPolarHBondContact CA-O 3.41Å; K572-I583 HydrophobicContact CB-CG2 4.18Å; K572-I583 PolarHBondContact N-O 3.42Å; K572-I583 WeakPolarHBondContact O-CG2 3.36Å; K572-I583 PolarHBondContact O-N 2.76Å; F574-I583 HydrophobicContact CD1-CG2 4.47Å; F574-I583 HydrophobicContact CE1-CB 4.09Å; F574-I583 HydrophobicContact CE1-CG2 4Å; I583-V585 HydrophobicContact CD1-CG2 4.17Å; I583-V585 HydrophobicContact CG1-CG2 4.13Å; I583-I598 HydrophobicContact CD1-CG2 3.82Å; I583-I598 HydrophobicContact CG1-CG2 3.96Å; I583-Y599 WeakPolarHBondContact CA-O 3.36Å; I583-L600 HydrophobicContact CB-CD2 3.68Å; I583-L600 HydrophobicContact CD1-CD2 4.19Å; I583-L600 HydrophobicContact CG1-CD2 3.85Å; I583-L600 HydrophobicContact CG1-CG 4.41Å; I583-V747 HydrophobicContact CD1-CG2 4.1Å; I583-Y758 HydrophobicContact CD1-CD1 3.73Å; I583-Y758 HydrophobicContact CD1-CE1 3.78Å; I583-Y758 HydrophobicContact CD1-CG 4.33Å; I583-Y758 HydrophobicContact CG2-CD2 4.38Å; I583-Y758 HydrophobicContact CG2-CE1 4.12Å; I583-Y758 HydrophobicContact CG2-CE2 3.81Å
584	Q	90.7	Very high	87.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.7	164.9	-47.1	-175.1	-66.1	0	0	108.4	I570 M571 L582 Y599 Y661 E666	I570-Q584 VanDerWaalsContact O-CA 3.28Å; I570-Q584 WeakPolarHBondContact O-CA 3.37Å; M571-Q584 VanDerWaalsContact CE-NE2 3.26Å; M571-Q584 HydrophobicContact CG-CB 4.4Å; M571-Q584 HydrophobicContact CG-CG 4.05Å; M571-Q584 PolarHBondContact SD-NE2 2.97Å; L582-Q584 HydrophobicContact CD2-CG 4.19Å; L582-Q584 HydrophobicContact CG-CG 4.15Å; Q584-Y599 PolarHBondContact N-O 3.03Å; Q584-Y599 PolarHBondContact O-N 2.96Å; Q584-Y661 HydrophobicContact CB-CE2 4.47Å; Q584-E666 PolarHBondContact NE2-OE1 2.98Å
585	V	89.9	Confident	88.2	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.8	170.9	-170.4	0	0	0	0	107.7	A569 I570 I583 N587 I598 I745 L760	A569-V585 PolarHBondContact N-O 2.9Å; A569-V585 VanDerWaalsContact N-O 3.08Å; I570-V585 PolarHBondContact N-O 2.83Å; I570-V585 PolarHBondContact O-N 3.01Å; I583-V585 HydrophobicContact CD1-CG2 4.17Å; I583-V585 HydrophobicContact CG1-CG2 4.13Å; V585-N587 VanDerWaalsContact C-N 3.32Å; V585-N587 WeakPolarHBondContact CG1-O 3.44Å; V585-N587 PolarHBondContact O-N 3.21Å; V585-I598 HydrophobicContact CG1-CG1 4.24Å; V585-I598 HydrophobicContact CG2-CG1 4.42Å; V585-I598 HydrophobicContact CG2-CG2 4.37Å; V585-I745 HydrophobicContact CG1-CD1 4.16Å; V585-L760 HydrophobicContact CB-CD2 4.34Å; V585-L760 HydrophobicContact CG1-CD2 4.43Å; V585-L760 HydrophobicContact CG2-CD2 3.79Å
586	E	88.3	Confident	88.7	Confident	19 Å²	19	32 Å²	32	9%	0.089	17%	0.169	C	C	.	.	S	Bend	trans	-58.7	-45.1	-173.7	-179.1	174.3	-162.2	0	0	112	R566 A569 N597 Y661	R566-E586 WeakPolarHBondContact CD-OE1 3.27Å; R566-E586 IonicContact CZ-OE1 2.74Å; R566-E586 IonicContact NE-OE1 3.74Å; R566-E586 IonicContact NH1-OE1 2.84Å; R566-E586 PolarHBondContact NH1-OE1 3.26Å; A569-E586 PolarHBondContact N-O 2.71Å; E586-N597 HydrophobicContact CB-CB 4.16Å; E586-N597 PolarHBondContact N-O 2.83Å; E586-N597 WeakPolarHBondContact OE2-CB 3.49Å; E586-N597 PolarHBondContact OE2-ND2 2.79Å; E586-Y661 WeakPolarHBondContact CA-OH 3.28Å; E586-Y661 VanDerWaalsContact CB-OH 3.31Å; E586-Y661 WeakPolarHBondContact CB-OH 3.36Å
587	N	86.4	Confident	89.4	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.064	18%	0.175	C	C	.	.			trans	-146.3	165.1	-171.8	-161.1	-6.5	0	0	0	111	N558 V585 I589 F590 R768	N558-N587 PolarHBondContact ND2-ND2 2.86Å; N558-N587 PolarHBondContact OD1-ND2 3.39Å; V585-N587 VanDerWaalsContact C-N 3.32Å; V585-N587 WeakPolarHBondContact CG1-O 3.44Å; V585-N587 PolarHBondContact O-N 3.21Å; N587-I589 PolarHBondContact ND2-O 2.86Å; N587-I589 PolarHBondContact OD1-N 2.56Å; N587-I589 VanDerWaalsContact OD1-N 3.1Å; N587-F590 HydrophobicContact CB-CE1 3.8Å; N587-F590 HydrophobicContact CB-CE2 4.37Å; N587-F590 HydrophobicContact CB-CZ 3.7Å; N587-F590 WeakPolarHBondContact O-CE2 3.38Å; N587-F590 WeakPolarHBondContact O-CZ 3.44Å; N587-R768 PolarHBondContact ND2-NH2 2.97Å
588	L	83.3	Confident	90	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	-118.8	-9.1	173	-65.9	170.1	0	0	0	112.6	A569 I570 L679 Y683 L760 I762 S763	A569-L588 HydrophobicContact CB-CD1 4.15Å; A569-L588 HydrophobicContact CB-CG 3.86Å; I570-L588 HydrophobicContact CD1-CD1 4.12Å; I570-L588 HydrophobicContact CD1-CD2 3.79Å; I570-L588 HydrophobicContact CD1-CG 4.46Å; I570-L588 HydrophobicContact CG1-CD1 4.02Å; I570-L588 HydrophobicContact CG1-CD2 4.13Å; I570-L588 HydrophobicContact CG1-CG 4.38Å; L588-L679 HydrophobicContact CD1-CD2 3.59Å; L588-Y683 HydrophobicContact CB-CE1 4.19Å; L588-Y683 HydrophobicContact CD1-CD1 3.81Å; L588-Y683 HydrophobicContact CD1-CE1 3.81Å; L588-Y683 HydrophobicContact CD1-CG 4.31Å; L588-Y683 HydrophobicContact CD2-CD1 4.37Å; L588-Y683 HydrophobicContact CD2-CE1 4.08Å; L588-Y683 HydrophobicContact CG-CE1 4.25Å; L588-L760 HydrophobicContact CD2-CD1 4.42Å; L588-L760 HydrophobicContact CD2-CD2 3.89Å; L588-L760 HydrophobicContact CD2-CG 4.26Å; L588-I762 HydrophobicContact CD2-CG2 4.19Å; L588-S763 PolarHBondContact O-N 3.07Å
589	I	85.3	Confident	90.6	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.062	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.4	-174	-49.9	-178.7	0	0	0	109.1	P556 N587 S763 V765 R768 M774	P556-I589 VanDerWaalsContact CD-CD1 3.45Å; P556-I589 HydrophobicContact CG-CD1 3.6Å; N587-I589 PolarHBondContact ND2-O 2.86Å; N587-I589 PolarHBondContact OD1-N 2.56Å; N587-I589 VanDerWaalsContact OD1-N 3.1Å; I589-S763 WeakPolarHBondContact CA-O 3.3Å; I589-V765 HydrophobicContact CG2-CB 4.45Å; I589-V765 HydrophobicContact CG2-CG1 3.93Å; I589-V765 HydrophobicContact CG2-CG2 3.61Å; I589-R768 PolarHBondContact O-NH2 3.01Å; I589-M774 HydrophobicContact CD1-CE 3.62Å; I589-M774 HydrophobicContact CD1-CG 4.13Å; I589-M774 HydrophobicContact CD1-SD 3.68Å; I589-M774 HydrophobicContact CG1-CE 4.02Å; I589-M774 HydrophobicContact CG1-SD 4.41Å
590	F	90.9	Very high	91	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.013	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.9	-171.7	-58.4	-89	0	0	0	111.5	N587 D594 D595 I596 V726 I762 S763 V764 V765	N587-F590 HydrophobicContact CB-CE1 3.8Å; N587-F590 HydrophobicContact CB-CE2 4.37Å; N587-F590 HydrophobicContact CB-CZ 3.7Å; N587-F590 WeakPolarHBondContact O-CE2 3.38Å; N587-F590 WeakPolarHBondContact O-CZ 3.44Å; F590-D594 WeakPolarHBondContact CA-OD2 3.48Å; F590-D594 HydrophobicContact CB-CB 4.19Å; F590-D594 HydrophobicContact CD1-CB 4.03Å; F590-D595 WeakPolarHBondContact CE1-O 3.47Å; F590-I596 HydrophobicContact CD1-CG1 3.75Å; F590-I596 HydrophobicContact CD2-CG1 4.24Å; F590-I596 HydrophobicContact CE1-CB 3.97Å; F590-I596 HydrophobicContact CE1-CG1 3.65Å; F590-I596 HydrophobicContact CE1-CG2 4.17Å; F590-I596 HydrophobicContact CE2-CG1 4.15Å; F590-I596 HydrophobicContact CE2-CG2 4.26Å; F590-I596 HydrophobicContact CG-CG1 4.04Å; F590-I596 HydrophobicContact CZ-CB 4.04Å; F590-I596 HydrophobicContact CZ-CG1 3.84Å; F590-I596 HydrophobicContact CZ-CG2 3.71Å; F590-V726 HydrophobicContact CB-CG2 3.74Å; F590-V726 HydrophobicContact CG-CG2 4.36Å; F590-I762 HydrophobicContact CD2-CB 4.32Å; F590-I762 HydrophobicContact CD2-CD1 3.78Å; F590-I762 HydrophobicContact CE2-CB 4.23Å; F590-I762 HydrophobicContact CE2-CD1 3.96Å; F590-I762 HydrophobicContact CE2-CG2 4.1Å; F590-S763 PolarHBondContact N-O 3.04Å; F590-V764 CarbonylContact O-C 3.55Å; F590-V764 WeakPolarHBondContact O-CA 3.38Å; F590-V765 PolarHBondContact O-N 2.91Å
591	Q	90.8	Very high	91.3	Very high	50 Å²	50	20.2 Å²	20.2	23%	0.234	11%	0.109	C	C	.	.			trans	-108	174.8	170.3	-63.9	178.7	-95.5	0	0	109.7	D594 V726 V765 E766 R768	Q591-D594 PolarHBondContact N-OD2 3.15Å; Q591-D594 WeakPolarHBondContact O-CB 3.4Å; Q591-D594 PolarHBondContact O-N 3.17Å; Q591-V726 WeakPolarHBondContact O-CB 3.4Å; Q591-V726 WeakPolarHBondContact O-CG1 3.22Å; Q591-V765 WeakPolarHBondContact CA-O 3.33Å; Q591-V765 HydrophobicContact CG-CG2 4.22Å; Q591-V765 WeakPolarHBondContact CG-O 3.34Å; Q591-E766 PolarHBondContact NE2-O 2.89Å; Q591-R768 HydrophobicContact CG-CG 4.35Å; Q591-R768 VanDerWaalsContact OE1-CD 3.26Å
592	E	89	Confident	91.5	Very high	79 Å²	79	20.2 Å²	20.2	37%	0.369	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.5	173.1	-70	-171.9	-171.8	0	0	112.2	D594 N729 S730	E592-D594 PolarHBondContact O-N 3.37Å; E592-D594 VanDerWaalsContact O-N 3.12Å; E592-N729 WeakPolarHBondContact OE1-CA 3.49Å; E592-N729 PolarHBondContact OE1-N 3.25Å; E592-N729 PolarHBondContact OE2-N 2.89Å; E592-S730 WeakPolarHBondContact CG-OG 3.35Å; E592-S730 PolarHBondContact OE1-N 2.97Å
593	A	90.6	Very high	91.6	Very high	62 Å²	62	22.1 Å²	22.1	51%	0.512	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	9.5	-176.4	0	0	0	0	0	116	V726 I728	A593-V726 WeakPolarHBondContact CA-O 3.45Å; A593-V726 PolarHBondContact N-O 3.41Å; A593-I728 HydrophobicContact CB-CG1 4.29Å
594	D	92.7	Very high	91.7	Very high	42 Å²	42	26 Å²	26	23%	0.225	14%	0.138	C	C	.	.			trans	-67	142.8	166.3	-83.6	-16.8	0	0	0	111.1	F590 Q591 E592 V726 R768	F590-D594 WeakPolarHBondContact CA-OD2 3.48Å; F590-D594 HydrophobicContact CB-CB 4.19Å; F590-D594 HydrophobicContact CD1-CB 4.03Å; Q591-D594 PolarHBondContact N-OD2 3.15Å; Q591-D594 WeakPolarHBondContact O-CB 3.4Å; Q591-D594 PolarHBondContact O-N 3.17Å; E592-D594 PolarHBondContact O-N 3.37Å; E592-D594 VanDerWaalsContact O-N 3.12Å; D594-V726 PolarHBondContact O-N 3.09Å; D594-R768 IonicContact OD1-NH1 3.23Å; D594-R768 PolarHBondContact OD1-NH1 2.71Å; D594-R768 IonicContact OD2-CZ 3.56Å; D594-R768 IonicContact OD2-NH1 2.69Å; D594-R768 PolarHBondContact OD2-NH1 2.9Å; D594-R768 IonicContact OD2-NH2 2.73Å; D594-R768 PolarHBondContact OD2-NH2 3.42Å
595	D	94.4	Very high	91.7	Very high	79 Å²	79	27.6 Å²	27.6	42%	0.422	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.8	165.5	-68.7	-41.2	0	0	0	111.3	F590 T723 N725	F590-D595 WeakPolarHBondContact CE1-O 3.47Å; D595-T723 HydrophobicContact CB-CG2 3.92Å; D595-N725 PolarHBondContact OD1-ND2 2.86Å
596	I	94.5	Very high	91.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	95.7	173.6	-55.1	165.7	0	0	0	108	F590 I598 L615 T723 L724 V726 I745 I762	F590-I596 HydrophobicContact CD1-CG1 3.75Å; F590-I596 HydrophobicContact CD2-CG1 4.24Å; F590-I596 HydrophobicContact CE1-CB 3.97Å; F590-I596 HydrophobicContact CE1-CG1 3.65Å; F590-I596 HydrophobicContact CE1-CG2 4.17Å; F590-I596 HydrophobicContact CE2-CG1 4.15Å; F590-I596 HydrophobicContact CE2-CG2 4.26Å; F590-I596 HydrophobicContact CG-CG1 4.04Å; F590-I596 HydrophobicContact CZ-CB 4.04Å; F590-I596 HydrophobicContact CZ-CG1 3.84Å; F590-I596 HydrophobicContact CZ-CG2 3.71Å; I596-I598 HydrophobicContact CG2-CD1 4.31Å; I596-I598 HydrophobicContact CG2-CG1 4.23Å; I596-L615 HydrophobicContact CD1-CD1 4.06Å; I596-L615 HydrophobicContact CD1-CD2 4.2Å; I596-T723 WeakPolarHBondContact O-CA 3.45Å; I596-L724 WeakPolarHBondContact CA-O 3.26Å; I596-L724 HydrophobicContact CB-CB 4.1Å; I596-L724 WeakPolarHBondContact CB-O 3.44Å; I596-L724 HydrophobicContact CD1-CB 4.14Å; I596-L724 PolarHBondContact N-O 2.79Å; I596-L724 PolarHBondContact O-N 2.98Å; I596-L724 VanDerWaalsContact O-N 3.11Å; I596-V726 HydrophobicContact CD1-CG2 3.86Å; I596-V726 HydrophobicContact CG1-CG2 4.07Å; I596-I745 HydrophobicContact CG2-CD1 3.47Å; I596-I745 VanDerWaalsContact CG2-CD1 3.47Å; I596-I745 HydrophobicContact CG2-CG1 4.18Å; I596-I762 HydrophobicContact CD1-CD1 3.85Å
597	N	95.4	Very high	91.7	Very high	24 Å²	24	29.8 Å²	29.8	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.6	178.9	-63.4	-61.1	0	0	0	111.8	E586 Y599 H721 T723	E586-N597 HydrophobicContact CB-CB 4.16Å; E586-N597 PolarHBondContact N-O 2.83Å; E586-N597 WeakPolarHBondContact OE2-CB 3.49Å; E586-N597 PolarHBondContact OE2-ND2 2.79Å; N597-Y599 HydrophobicContact CB-CE2 3.97Å; N597-H721 PolarHBondContact OD1-NE2 3.45Å; N597-T723 PolarHBondContact OD1-OG1 3.26Å
598	I	95.5	Very high	91.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	179.7	-56.1	154.4	0	0	0	107.6	I583 V585 I596 A613 L722 L724 I745 V747	I583-I598 HydrophobicContact CD1-CG2 3.82Å; I583-I598 HydrophobicContact CG1-CG2 3.96Å; V585-I598 HydrophobicContact CG1-CG1 4.24Å; V585-I598 HydrophobicContact CG2-CG1 4.42Å; V585-I598 HydrophobicContact CG2-CG2 4.37Å; I596-I598 HydrophobicContact CG2-CD1 4.31Å; I596-I598 HydrophobicContact CG2-CG1 4.23Å; I598-A613 HydrophobicContact CD1-CB 4.22Å; I598-L722 HydrophobicContact CB-CB 4.23Å; I598-L722 PolarHBondContact N-O 2.84Å; I598-L722 PolarHBondContact O-N 2.94Å; I598-L724 HydrophobicContact CD1-CD1 4.31Å; I598-I745 HydrophobicContact CD1-CD1 4.28Å; I598-I745 HydrophobicContact CD1-CG2 3.55Å; I598-I745 HydrophobicContact CG1-CD1 4.46Å; I598-V747 HydrophobicContact CD1-CG2 4.34Å; I598-V747 HydrophobicContact CG2-CG2 4.28Å
599	Y	96	Very high	92.4	Very high	35 Å²	35	36.4 Å²	36.4	14%	0.137	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	176.1	-55.9	-89.5	0	0	0	109.7	I583 Q584 N597 P660 Y661 C720 H721	I583-Y599 WeakPolarHBondContact CA-O 3.36Å; Q584-Y599 PolarHBondContact N-O 3.03Å; Q584-Y599 PolarHBondContact O-N 2.96Å; N597-Y599 HydrophobicContact CB-CE2 3.97Å; Y599-P660 HydrophobicContact CD1-CB 4.35Å; Y599-P660 HydrophobicContact CD1-CG 3.86Å; Y599-P660 HydrophobicContact CD2-CB 4.31Å; Y599-P660 HydrophobicContact CD2-CG 3.75Å; Y599-P660 HydrophobicContact CE1-CB 3.96Å; Y599-P660 HydrophobicContact CE1-CG 4Å; Y599-P660 HydrophobicContact CE2-CB 3.92Å; Y599-P660 HydrophobicContact CE2-CG 3.9Å; Y599-P660 HydrophobicContact CG-CG 3.74Å; Y599-Y661 HydrophobicContact CD2-CE2 4.28Å; Y599-Y661 HydrophobicContact CE2-CE2 4.38Å; Y599-C720 WeakPolarHBondContact CA-O 3.35Å; Y599-H721 HydrophobicContact CD1-CB 3.75Å; Y599-H721 AromaticContact CD1-CD2 3.76Å; Y599-H721 AromaticContact CD1-CG 3.85Å; Y599-H721 HydrophobicContact CE1-CB 3.72Å; Y599-H721 AromaticContact CE1-CD2 3.26Å; Y599-H721 WeakPolarHBondContact CE1-CD2 3.41Å; Y599-H721 AromaticContact CE1-CG 3.36Å; Y599-H721 AromaticContact CE1-ND1 3.96Å; Y599-H721 AromaticContact CE1-NE2 3.85Å; Y599-H721 AromaticContact CZ-CD2 3.56Å; Y599-H721 AromaticContact CZ-NE2 3.76Å
600	L	95.4	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.2	175.3	-73	156.2	0	0	0	109	F574 L582 I583 V611 F653 G719 C720 L722 V747 I749	F574-L600 HydrophobicContact CZ-CD2 4.28Å; L582-L600 CarbonylContact O-C 3.55Å; L582-L600 VanDerWaalsContact O-CA 3.3Å; L582-L600 WeakPolarHBondContact O-CA 3.48Å; I583-L600 HydrophobicContact CB-CD2 3.68Å; I583-L600 HydrophobicContact CD1-CD2 4.19Å; I583-L600 HydrophobicContact CG1-CD2 3.85Å; I583-L600 HydrophobicContact CG1-CG 4.41Å; L600-V611 HydrophobicContact CD1-CB 4.32Å; L600-V611 HydrophobicContact CD1-CG1 3.7Å; L600-V611 HydrophobicContact CD1-CG2 4.05Å; L600-F653 HydrophobicContact CB-CE1 4.31Å; L600-F653 HydrophobicContact CB-CZ 3.89Å; L600-G719 CarbonylContact O-C 3.42Å; L600-G719 WeakPolarHBondContact O-CA 3.4Å; L600-C720 PolarHBondContact N-O 3.26Å; L600-C720 PolarHBondContact O-N 3.4Å; L600-L722 HydrophobicContact CD1-CD1 4.01Å; L600-V747 HydrophobicContact CD1-CG1 3.9Å; L600-I749 HydrophobicContact CD2-CD1 4.27Å
601	F	95.7	Very high	93	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.4	174.3	-64	-87	0	0	0	110.6	M581 L582 L657 L659 L711 R716 A718	M581-F601 CarbonylContact C-O 3.58Å; M581-F601 WeakPolarHBondContact CA-O 3.19Å; L582-F601 HydrophobicContact CB-CB 4.35Å; L582-F601 HydrophobicContact CD2-CD2 4.37Å; L582-F601 PolarHBondContact N-O 3.27Å; L582-F601 PolarHBondContact O-N 3.49Å; F601-L657 HydrophobicContact CE1-CB 4.16Å; F601-L657 HydrophobicContact CE1-CD2 3.95Å; F601-L657 HydrophobicContact CE1-CG 4.37Å; F601-L657 HydrophobicContact CZ-CD2 4.06Å; F601-L659 HydrophobicContact CD1-CD2 4.28Å; F601-L659 HydrophobicContact CE1-CD2 3.62Å; F601-L659 HydrophobicContact CZ-CD2 3.76Å; F601-L711 HydrophobicContact CB-CD2 4.24Å; F601-R716 HydrophobicContact CB-CB 4.04Å; F601-R716 HydrophobicContact CB-CG 3.89Å; F601-R716 HydrophobicContact CD1-CB 4.02Å; F601-R716 HydrophobicContact CD1-CG 4.47Å; F601-R716 HydrophobicContact CG-CB 4.27Å; F601-R716 HydrophobicContact CG-CG 4.26Å; F601-A718 CarbonylContact C-O 3.54Å; F601-A718 WeakPolarHBondContact CA-O 3.49Å
602	T	94.8	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.8	177.7	-174.1	0	0	0	0	112.3	Q580 M581 E604 P605 I608 F653 R716 K717 A718	Q580-T602 VanDerWaalsContact O-CA 3.32Å; Q580-T602 WeakPolarHBondContact O-CA 3.38Å; Q580-T602 PolarHBondContact O-OG1 2.93Å; M581-T602 PolarHBondContact SD-OG1 2.83Å; T602-E604 PolarHBondContact OG1-N 3.44Å; T602-E604 VanDerWaalsContact OG1-N 3.14Å; T602-E604 PolarHBondContact OG1-O 2.78Å; T602-P605 HydrophobicContact CG2-CB 4.38Å; T602-I608 HydrophobicContact CG2-CD1 4.26Å; T602-F653 HydrophobicContact CG2-CD1 3.65Å; T602-F653 HydrophobicContact CG2-CE1 3.7Å; T602-R716 CarbonylContact O-C 3.58Å; T602-K717 PolarHBondContact O-N 2.98Å; T602-K717 VanDerWaalsContact O-N 3.09Å; T602-A718 HydrophobicContact CG2-CB 4.13Å; T602-A718 PolarHBondContact N-O 3.05Å; T602-A718 PolarHBondContact O-N 3.14Å
603	D	94.1	Very high	93.4	Very high	39 Å²	39	32.4 Å²	32.4	21%	0.209	17%	0.174	C	C	.	.	S	Bend	trans	-73.5	-23.7	166.1	60.4	-9.7	0	0	0	113.5	R579 Q580 L711 A715 K717	R579-D603 WeakPolarHBondContact CA-OD1 3.25Å; R579-D603 WeakPolarHBondContact CB-OD1 2.99Å; Q580-D603 VanDerWaalsContact N-CG 3.26Å; Q580-D603 PolarHBondContact N-OD1 3.37Å; Q580-D603 PolarHBondContact N-OD2 3.41Å; Q580-D603 VanDerWaalsContact N-OD2 3.13Å; Q580-D603 PolarHBondContact O-N 3.11Å; D603-L711 HydrophobicContact CB-CD1 3.86Å; D603-A715 WeakPolarHBondContact CA-O 3.39Å; D603-K717 WeakPolarHBondContact O-CD 3.37Å; D603-K717 WeakPolarHBondContact O-CG 3.01Å; D603-K717 PolarHBondContact O-NZ 3Å
604	E	92.8	Very high	93.5	Very high	83 Å²	83	30.6 Å²	30.6	39%	0.388	15%	0.154	S	C	.	.			trans	-142.3	109.7	178.9	-171.2	-164.1	-139.5	0	0	111.3	R579 T602 A606	R579-E604 VanDerWaalsContact CD-O 3.26Å; R579-E604 WeakPolarHBondContact CD-O 3.35Å; R579-E604 HydrophobicContact CG-CB 4.11Å; R579-E604 IonicContact CZ-OE2 3.12Å; R579-E604 IonicContact NE-OE2 2.66Å; R579-E604 PolarHBondContact NE-OE2 2.87Å; R579-E604 IonicContact NH2-OE2 2.71Å; R579-E604 PolarHBondContact NH2-OE2 3.03Å; T602-E604 PolarHBondContact OG1-N 3.44Å; T602-E604 VanDerWaalsContact OG1-N 3.14Å; T602-E604 PolarHBondContact OG1-O 2.78Å; E604-A606 VanDerWaalsContact C-N 3.27Å; E604-A606 HydrophobicContact CG-CB 3.88Å; E604-A606 PolarHBondContact O-N 3.14Å
605	P	90.4	Very high	93.5	Very high	34 Å²	34	28.6 Å²	28.6	22%	0.221	14%	0.144	C	C	.	.			trans	-71.8	-22	172.6	27.7	-33.5	0	0	0	113.3	T602 G607 I608 F653 A718	T602-P605 HydrophobicContact CG2-CB 4.38Å; P605-G607 PolarHBondContact O-N 3.02Å; P605-I608 PolarHBondContact O-N 3.06Å; P605-I608 VanDerWaalsContact O-N 3.13Å; P605-F653 HydrophobicContact CB-CB 4.22Å; P605-A718 HydrophobicContact CB-CB 3.73Å; P605-A718 HydrophobicContact CG-CB 3.81Å
606	A	90	Very high	93.1	Very high	59 Å²	59	24.8 Å²	24.8	49%	0.488	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	94.1	-167.9	0	0	0	0	0	113.3	R579 E604	R579-A606 PolarHBondContact NH2-O 3.32Å; E604-A606 VanDerWaalsContact C-N 3.27Å; E604-A606 HydrophobicContact CG-CB 3.88Å; E604-A606 PolarHBondContact O-N 3.14Å
607	G	87.2	Confident	92.8	Very high	7 Å²	7	26.8 Å²	26.8	7%	0.072	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.2	-11.9	178.6	0	0	0	0	0	114.2	P605 G751 K752	P605-G607 PolarHBondContact O-N 3.02Å; G607-G751 CarbonylContact O-C 3.45Å; G607-G751 WeakPolarHBondContact O-CA 2.91Å; G607-K752 WeakPolarHBondContact O-CG 3.46Å; G607-K752 PolarHBondContact O-N 3.45Å
608	I	92	Very high	92	Very high	20 Å²	20	25.6 Å²	25.6	10%	0.103	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.9	162.3	-49.2	175.7	0	0	0	107.7	M581 T602 P605 F653 I749	M581-I608 HydrophobicContact CE-CD1 3.77Å; M581-I608 HydrophobicContact SD-CD1 3.97Å; T602-I608 HydrophobicContact CG2-CD1 4.26Å; P605-I608 PolarHBondContact O-N 3.06Å; P605-I608 VanDerWaalsContact O-N 3.13Å; I608-F653 HydrophobicContact CB-CD2 4.18Å; I608-F653 HydrophobicContact CB-CE2 4.46Å; I608-F653 HydrophobicContact CD1-CD2 3.98Å; I608-F653 HydrophobicContact CD1-CE1 4.41Å; I608-F653 HydrophobicContact CD1-CE2 3.73Å; I608-F653 HydrophobicContact CD1-CG 4.41Å; I608-F653 HydrophobicContact CD1-CZ 3.98Å; I608-F653 HydrophobicContact CG2-CD2 3.71Å; I608-F653 HydrophobicContact CG2-CE2 3.75Å; I608-I749 HydrophobicContact CG2-CG2 3.94Å
609	R	92.2	Very high	91.2	Very high	135 Å²	135	26.6 Å²	26.6	51%	0.509	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-51.2	177.4	-69.1	-174	-85.4	-167.1	-10.2	111.8	H750 G751 K752	R609-H750 WeakPolarHBondContact CB-O 3.46Å; R609-H750 PolarHBondContact N-O 2.87Å; R609-G751 VanDerWaalsContact CZ-O 3.27Å; R609-G751 PolarHBondContact NE-O 3.45Å; R609-G751 PolarHBondContact NH2-O 3.45Å; R609-K752 HydrophobicContact CG-CG 4.49Å; R609-K752 PolarHBondContact NH2-O 3.5Å
610	Y	94.9	Very high	90.2	Very high	53 Å²	53	25.6 Å²	25.6	21%	0.208	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	168.7	175.8	57.7	-87.5	0	0	0	109.9	K650 V651 H750	Y610-K650 HydrophobicContact CD2-CB 3.71Å; Y610-K650 HydrophobicContact CD2-CD 3.73Å; Y610-K650 HydrophobicContact CD2-CG 3.65Å; Y610-K650 HydrophobicContact CE1-CD 4.38Å; Y610-K650 HydrophobicContact CE2-CB 4.29Å; Y610-K650 HydrophobicContact CE2-CD 3.41Å; Y610-K650 VanDerWaalsContact CE2-CD 3.41Å; Y610-K650 VanDerWaalsContact CE2-CE 3.48Å; Y610-K650 HydrophobicContact CE2-CG 3.74Å; Y610-K650 HydrophobicContact CG-CB 4.04Å; Y610-K650 HydrophobicContact CG-CD 4.33Å; Y610-K650 HydrophobicContact CG-CG 4.4Å; Y610-K650 PolarHBondContact OH-NZ 3.38Å; Y610-V651 CarbonylContact C-O 3.6Å; Y610-V651 VanDerWaalsContact CA-O 3.29Å; Y610-V651 WeakPolarHBondContact CA-O 3.5Å; Y610-V651 WeakPolarHBondContact CB-O 3.08Å; Y610-H750 HydrophobicContact CD1-CB 4.35Å; Y610-H750 HydrophobicContact CD2-CB 4.35Å; Y610-H750 AromaticContact CD2-CD2 3.67Å; Y610-H750 HydrophobicContact CE1-CB 4.09Å; Y610-H750 HydrophobicContact CE2-CB 4.13Å; Y610-H750 AromaticContact CE2-CD2 3.18Å; Y610-H750 WeakPolarHBondContact CE2-CD2 3.32Å; Y610-H750 AromaticContact CE2-CE1 3.94Å; Y610-H750 AromaticContact CE2-CG 3.58Å; Y610-H750 AromaticContact CE2-NE2 3.44Å; Y610-H750 WeakPolarHBondContact CE2-NE2 3.5Å; Y610-H750 HydrophobicContact CG-CB 4.46Å; Y610-H750 AromaticContact CZ-CD2 3.73Å; Y610-H750 AromaticContact CZ-CE1 3.98Å; Y610-H750 AromaticContact CZ-CG 3.61Å; Y610-H750 AromaticContact CZ-ND1 3.8Å; Y610-H750 AromaticContact CZ-NE2 3.94Å; Y610-H750 WeakPolarHBondContact O-CB 3.26Å; Y610-H750 PolarHBondContact O-N 2.87Å; Y610-H750 PolarHBondContact OH-ND1 2.96Å
611	V	95	Very high	89	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.4	167.3	-161.8	0	0	0	0	109	L600 K650 V651 F653 L722 V747 L748 I749	L600-V611 HydrophobicContact CD1-CB 4.32Å; L600-V611 HydrophobicContact CD1-CG1 3.7Å; L600-V611 HydrophobicContact CD1-CG2 4.05Å; V611-K650 WeakPolarHBondContact O-CA 3.41Å; V611-V651 PolarHBondContact N-O 3.38Å; V611-V651 PolarHBondContact O-N 3.1Å; V611-F653 HydrophobicContact CG2-CD2 4.21Å; V611-F653 HydrophobicContact CG2-CE2 3.47Å; V611-F653 VanDerWaalsContact CG2-CE2 3.47Å; V611-F653 HydrophobicContact CG2-CZ 4.31Å; V611-L722 HydrophobicContact CB-CD1 4.16Å; V611-L722 HydrophobicContact CG1-CD1 3.68Å; V611-V747 HydrophobicContact CG1-CG1 3.44Å; V611-V747 VanDerWaalsContact CG1-CG1 3.44Å; V611-L748 WeakPolarHBondContact CA-O 3.36Å; V611-L748 VanDerWaalsContact CG1-O 3.3Å; V611-L748 WeakPolarHBondContact CG1-O 3.37Å; V611-I749 HydrophobicContact CG1-CG1 3.94Å; V611-I749 HydrophobicContact CG2-CG1 4.35Å; V611-I749 HydrophobicContact CG2-CG2 4.31Å
612	E	94.5	Very high	87.4	Confident	7 Å²	7	27.6 Å²	27.6	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.9	165.3	62.7	-166.5	148.1	0	0	108.8	Y614 R647 T648 K650 L748 H750	E612-Y614 HydrophobicContact CG-CE2 3.95Å; E612-R647 IonicContact OE2-CZ 3.81Å; E612-R647 IonicContact OE2-NE 2.85Å; E612-R647 PolarHBondContact OE2-NE 3.35Å; E612-R647 IonicContact OE2-NH2 3.93Å; E612-R647 PolarHBondContact OE2-NH2 2.9Å; E612-T648 WeakPolarHBondContact CA-OG1 3.41Å; E612-K650 HydrophobicContact CB-CG 4.38Å; E612-K650 VanDerWaalsContact OE2-CE 3.24Å; E612-K650 WeakPolarHBondContact OE2-CE 3.39Å; E612-L748 HydrophobicContact CG-CB 4.17Å; E612-L748 PolarHBondContact N-O 2.82Å; E612-L748 VanDerWaalsContact N-O 3.12Å; E612-L748 PolarHBondContact O-N 3.29Å; E612-H750 IonicContact OE1-CD2 3.93Å; E612-H750 IonicContact OE1-CE1 3.21Å; E612-H750 PolarHBondContact OE1-CE1 2.86Å; E612-H750 IonicContact OE1-NE2 3.75Å; E612-H750 PolarHBondContact OE1-NE2 2.76Å
613	A	93.7	Very high	85.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.4	174.7	0	0	0	0	0	111.9	I598 R647 T648 L722 L724 R746 V747	I598-A613 HydrophobicContact CD1-CB 4.22Å; A613-R647 CarbonylContact O-C 3.56Å; A613-R647 WeakPolarHBondContact O-CA 3.46Å; A613-T648 HydrophobicContact CB-CG2 3.9Å; A613-T648 PolarHBondContact N-OG1 3.4Å; A613-T648 PolarHBondContact O-N 3.08Å; A613-L722 HydrophobicContact CB-CD1 4.16Å; A613-L724 HydrophobicContact CB-CD1 3.83Å; A613-L724 HydrophobicContact CB-CG 4.36Å; A613-R746 CarbonylContact C-O 3.6Å; A613-R746 VanDerWaalsContact CA-O 3.29Å; A613-R746 WeakPolarHBondContact CA-O 3.31Å; A613-V747 HydrophobicContact CB-CG2 4.16Å
614	Y	91.7	Very high	83.9	Confident	24 Å²	24	29.5 Å²	29.5	9%	0.094	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.1	178	-59.7	-99.6	0	0	0	109.5	E612 I644 G646 R647 I745 R746 L748	E612-Y614 HydrophobicContact CG-CE2 3.95Å; Y614-I644 HydrophobicContact CD1-CD1 4.31Å; Y614-I644 HydrophobicContact CD1-CG2 3.9Å; Y614-G646 CarbonylContact C-O 3.56Å; Y614-G646 WeakPolarHBondContact CA-O 3.14Å; Y614-R647 HydrophobicContact CD1-CB 4.08Å; Y614-R647 HydrophobicContact CD1-CG 3.71Å; Y614-R647 HydrophobicContact CE1-CB 4.31Å; Y614-R647 HydrophobicContact CE1-CG 3.55Å; Y614-R647 HydrophobicContact CG-CG 4.39Å; Y614-R647 PolarHBondContact OH-NE 3.27Å; Y614-I745 CarbonylContact O-C 3.59Å; Y614-I745 WeakPolarHBondContact O-CA 3.4Å; Y614-R746 PolarHBondContact N-O 3.12Å; Y614-R746 PolarHBondContact O-N 2.91Å; Y614-L748 HydrophobicContact CD2-CD1 4.46Å; Y614-L748 HydrophobicContact CD2-CG 4.48Å; Y614-L748 HydrophobicContact CE2-CD1 3.71Å; Y614-L748 HydrophobicContact CE2-CG 4.13Å
615	L	92.8	Very high	82.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.6	162.1	-179.1	60.6	0	0	0	107.8	I596 D645 G646 L724 Y743 I762	I596-L615 HydrophobicContact CD1-CD1 4.06Å; I596-L615 HydrophobicContact CD1-CD2 4.2Å; L615-D645 HydrophobicContact CB-CB 4.45Å; L615-D645 HydrophobicContact CD2-CB 4.01Å; L615-D645 HydrophobicContact CG-CB 4.05Å; L615-D645 PolarHBondContact O-N 3.2Å; L615-G646 PolarHBondContact N-O 3.42Å; L615-G646 PolarHBondContact O-N 3.06Å; L615-L724 HydrophobicContact CB-CD1 4.35Å; L615-Y743 HydrophobicContact CD1-CD1 3.89Å; L615-Y743 HydrophobicContact CG-CD1 4.23Å; L615-I762 HydrophobicContact CD1-CD1 3.78Å
616	L	87.6	Confident	80.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	178	-55.7	-178.3	0	0	0	109.8	L632 Y638 F643 I644 Y743 Y744 R746	L616-L632 HydrophobicContact CD1-CD2 4.4Å; L616-Y638 HydrophobicContact CD1-CE1 3.93Å; L616-Y638 HydrophobicContact CD2-CE1 4.26Å; L616-Y638 HydrophobicContact CD2-CE2 4.41Å; L616-F643 WeakPolarHBondContact CA-O 3.09Å; L616-I644 HydrophobicContact CD2-CG1 3.92Å; L616-Y743 CarbonylContact O-C 3.59Å; L616-Y743 WeakPolarHBondContact O-CA 3.49Å; L616-Y744 WeakPolarHBondContact CB-O 3.37Å; L616-Y744 PolarHBondContact N-O 3.49Å; L616-Y744 PolarHBondContact O-N 3.13Å; L616-R746 HydrophobicContact CD1-CB 3.9Å; L616-R746 HydrophobicContact CG-CB 4.31Å
617	R	86.3	Confident	78.9	Confident	41 Å²	41	34.3 Å²	34.3	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.9	166.9	166.8	168.3	41	157.7	0.1	109.1	F619 V642 F643 D645 I741 Y743	R617-F619 HydrophobicContact CG-CD2 4.27Å; R617-F619 HydrophobicContact CG-CE2 3.72Å; R617-F619 HydrophobicContact CG-CZ 4.06Å; R617-V642 WeakPolarHBondContact O-CA 3.23Å; R617-F643 HydrophobicContact CB-CB 4.43Å; R617-F643 PolarHBondContact N-O 2.81Å; R617-F643 PolarHBondContact O-N 2.89Å; R617-D645 WeakPolarHBondContact CB-OD2 3.36Å; R617-D645 IonicContact CZ-OD1 3.58Å; R617-D645 IonicContact CZ-OD2 2.67Å; R617-D645 VanDerWaalsContact CZ-OD2 3.24Å; R617-D645 IonicContact NE-OD1 3.33Å; R617-D645 PolarHBondContact NE-OD1 3.04Å; R617-D645 IonicContact NE-OD2 3.52Å; R617-D645 PolarHBondContact NE-OD2 2.63Å; R617-D645 VanDerWaalsContact NH2-CG 3.29Å; R617-D645 IonicContact NH2-OD1 2.73Å; R617-D645 PolarHBondContact NH2-OD1 2.99Å; R617-D645 IonicContact NH2-OD2 3.67Å; R617-D645 PolarHBondContact NH2-OD2 3.32Å; R617-D645 VanDerWaalsContact NH2-OD2 3.15Å; R617-I741 HydrophobicContact CG-CG2 4.45Å; R617-Y743 HydrophobicContact CB-CD1 4.07Å; R617-Y743 HydrophobicContact CB-CE1 3.79Å; R617-Y743 WeakPolarHBondContact CD-OH 3.43Å; R617-Y743 HydrophobicContact CG-CE1 4.33Å; R617-Y743 HydrophobicContact CG-CE2 4.4Å
618	I	80.6	Confident	77.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.2	-176.8	-47.8	176.1	0	0	0	109.3	H620 A631 L632 V642 T742 Y744	I618-H620 VanDerWaalsContact CG2-NE2 3.29Å; I618-H620 WeakPolarHBondContact CG2-NE2 3.28Å; I618-A631 HydrophobicContact CD1-CB 3.84Å; I618-A631 HydrophobicContact CG1-CB 4.49Å; I618-A631 HydrophobicContact CG2-CB 4.05Å; I618-L632 HydrophobicContact CD1-CD2 4.35Å; I618-V642 HydrophobicContact CG1-CG1 4.32Å; I618-V642 HydrophobicContact CG1-CG2 4.24Å; I618-V642 HydrophobicContact CG2-CG2 4.06Å; I618-T742 PolarHBondContact N-O 3.16Å; I618-T742 PolarHBondContact O-N 3.14Å; I618-Y744 HydrophobicContact CD1-CD2 3.5Å; I618-Y744 VanDerWaalsContact CD1-CD2 3.5Å; I618-Y744 HydrophobicContact CD1-CE2 3.75Å; I618-Y744 HydrophobicContact CD1-CG 4.45Å; I618-Y744 HydrophobicContact CG1-CD2 4.25Å
619	F	78.4	Confident	75.6	Confident	20 Å²	20	39.1 Å²	39.1	9%	0.088	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.3	173.7	-67.9	-86	0	0	0	110.1	L507 R617 I621 N641 F643 I741	L507-F619 HydrophobicContact CD1-CD1 4.38Å; L507-F619 HydrophobicContact CD1-CE1 3.56Å; L507-F619 HydrophobicContact CD1-CZ 4.31Å; R617-F619 HydrophobicContact CG-CD2 4.27Å; R617-F619 HydrophobicContact CG-CE2 3.72Å; R617-F619 HydrophobicContact CG-CZ 4.06Å; F619-I621 HydrophobicContact CB-CD1 3.96Å; F619-I621 HydrophobicContact CB-CG1 4.06Å; F619-I621 HydrophobicContact CD1-CD1 4.43Å; F619-N641 HydrophobicContact CB-CB 4.42Å; F619-N641 PolarHBondContact N-O 3.11Å; F619-N641 WeakPolarHBondContact O-CB 3.4Å; F619-N641 PolarHBondContact O-ND2 3.1Å; F619-F643 AromaticContact CD2-CD2 3.53Å; F619-F643 HydrophobicContact CD2-CD2 3.53Å; F619-F643 AromaticContact CD2-CE2 3.48Å; F619-F643 HydrophobicContact CD2-CE2 3.48Å; F619-F643 VanDerWaalsContact CD2-CE2 3.48Å; F619-F643 AromaticContact CE2-CD2 3.51Å; F619-F643 HydrophobicContact CE2-CD2 3.51Å; F619-F643 AromaticContact CE2-CE2 3.62Å; F619-F643 HydrophobicContact CE2-CE2 3.62Å; F619-F643 HydrophobicContact CE2-CG 4.32Å; F619-F643 HydrophobicContact CE2-CZ 4.47Å; F619-I741 HydrophobicContact CD1-CD1 4.21Å; F619-I741 HydrophobicContact CD1-CG1 3.93Å; F619-I741 HydrophobicContact CD1-CG2 4.41Å; F619-I741 HydrophobicContact CE1-CD1 3.9Å; F619-I741 HydrophobicContact CE1-CG1 4.05Å; F619-I741 HydrophobicContact CE1-CG2 4.1Å
620	H	74.4	Confident	73.9	Confident	15 Å²	15	39 Å²	39	7%	0.069	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.3	166.9	-53.3	-106.5	0	0	0	106.2	I618 D628 L739 K740 T742	I618-H620 VanDerWaalsContact CG2-NE2 3.29Å; I618-H620 WeakPolarHBondContact CG2-NE2 3.28Å; H620-D628 VanDerWaalsContact CE1-CG 3.46Å; H620-D628 IonicContact CE1-OD1 3.43Å; H620-D628 PolarHBondContact CE1-OD1 3.42Å; H620-D628 IonicContact CE1-OD2 2.75Å; H620-D628 IonicContact ND1-OD1 2.74Å; H620-D628 IonicContact NE2-OD2 3.15Å; H620-L739 CarbonylContact O-C 3.51Å; H620-L739 WeakPolarHBondContact O-CA 3.46Å; H620-K740 HydrophobicContact CB-CB 3.93Å; H620-K740 HydrophobicContact CB-CG 4.33Å; H620-K740 PolarHBondContact N-O 3.19Å; H620-K740 PolarHBondContact O-N 2.84Å; H620-T742 PolarHBondContact NE2-OG1 3.44Å
621	I	69.6	Low	72.1	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.082	19%	0.19	C	C	.	.			trans	-142.4	146.4	-176.2	-40.3	171	0	0	0	107.7	T418 V517 I519 F619 L624 L739	T418-I621 HydrophobicContact CG2-CG2 3.56Å; V517-I621 HydrophobicContact CB-CD1 4.08Å; V517-I621 HydrophobicContact CG1-CD1 4.41Å; V517-I621 HydrophobicContact CG1-CG2 3.96Å; V517-I621 HydrophobicContact CG2-CD1 4.21Å; I519-I621 HydrophobicContact CD1-CD1 3.6Å; I519-I621 HydrophobicContact CD1-CG1 4.14Å; I519-I621 HydrophobicContact CG1-CD1 4.46Å; F619-I621 HydrophobicContact CB-CD1 3.96Å; F619-I621 HydrophobicContact CB-CG1 4.06Å; F619-I621 HydrophobicContact CD1-CD1 4.43Å; I621-L624 HydrophobicContact CB-CD1 4.24Å; I621-L624 HydrophobicContact CB-CG 4.46Å; I621-L624 HydrophobicContact CD1-CD1 3.76Å; I621-L624 HydrophobicContact CG1-CD1 4.12Å; I621-L624 PolarHBondContact O-N 3.47Å; I621-L739 HydrophobicContact CG1-CD1 4.05Å; I621-L739 HydrophobicContact CG2-CD1 4.23Å
622	P	62.6	Low	70.4	Confident	27 Å²	27	37.3 Å²	37.3	18%	0.175	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	143.6	160.3	-31.5	37.4	0	0	0	112.2	L624 S738	P622-L624 PolarHBondContact O-N 2.94Å; P622-S738 WeakPolarHBondContact CG-OG 3.35Å
623	G	57.2	Low	68.6	Low	34 Å²	34	40.1 Å²	40.1	35%	0.351	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-44.6	-167.1	0	0	0	0	0	114.6	Q425 K625	Q425-G623 VanDerWaalsContact OE1-CA 3.3Å; G623-K625 PolarHBondContact O-N 2.78Å
624	L	58.1	Low	66.8	Low	45 Å²	45	47 Å²	47	24%	0.236	24%	0.237	C	C	.	.			trans	-85.2	79.6	-174.5	-58.1	-177	0	0	0	112.2	V517 I621 P622 V626 N641	V517-L624 HydrophobicContact CG2-CD1 4.3Å; V517-L624 HydrophobicContact CG2-CG 4.42Å; I621-L624 HydrophobicContact CB-CD1 4.24Å; I621-L624 HydrophobicContact CB-CG 4.46Å; I621-L624 HydrophobicContact CD1-CD1 3.76Å; I621-L624 HydrophobicContact CG1-CD1 4.12Å; I621-L624 PolarHBondContact O-N 3.47Å; P622-L624 PolarHBondContact O-N 2.94Å; L624-V626 VanDerWaalsContact C-N 3.33Å; L624-V626 PolarHBondContact O-N 3.2Å; L624-N641 HydrophobicContact CD1-CB 3.91Å
625	K	55	Low	64.9	Low	190 Å²	190	49 Å²	49	83%	0.826	25%	0.249	S	C	*	.			trans	-60.6	70.8	-173.6	-62.4	175.8	-176.8	174.9	0	115.6	G623	G623-K625 PolarHBondContact O-N 2.78Å
626	V	56.1	Low	63.4	Low	43 Å²	43	59.2 Å²	59.2	26%	0.261	29%	0.293	S	S	.	.			trans	-134.5	143.7	-174.7	-179.5	0	0	0	0	112.6	L624 K630 A631 N641	L624-V626 VanDerWaalsContact C-N 3.33Å; L624-V626 PolarHBondContact O-N 3.2Å; V626-K630 HydrophobicContact CG1-CB 4.4Å; V626-A631 HydrophobicContact CG1-CB 4.26Å; V626-N641 WeakPolarHBondContact CG2-OD1 3.34Å
627	S	57.2	Low	62.4	Low	43 Å²	43	67.6 Å²	67.6	30%	0.301	33%	0.33	S	S	.	.			trans	-109.6	151	168	61.2	0	0	0	0	110	T629 K630 A631	S627-T629 PolarHBondContact O-N 2.85Å; S627-T629 PolarHBondContact OG-OG1 2.98Å; S627-K630 WeakPolarHBondContact O-CA 3.1Å; S627-K630 WeakPolarHBondContact O-CB 3.29Å; S627-K630 PolarHBondContact O-N 2.88Å; S627-A631 PolarHBondContact O-N 3.23Å; S627-A631 VanDerWaalsContact O-N 3.16Å
628	D	54.1	Low	61.6	Low	57 Å²	57	67.4 Å²	67.4	31%	0.305	33%	0.33	S	S	.	.	H	α-helix	trans	-49.2	-44.9	-177.9	-53.7	51	0	0	0	111.8	H620 K630 A631 L632 Y744	H620-D628 VanDerWaalsContact CE1-CG 3.46Å; H620-D628 IonicContact CE1-OD1 3.43Å; H620-D628 PolarHBondContact CE1-OD1 3.42Å; H620-D628 IonicContact CE1-OD2 2.75Å; H620-D628 IonicContact ND1-OD1 2.74Å; H620-D628 IonicContact NE2-OD2 3.15Å; D628-K630 PolarHBondContact O-N 2.93Å; D628-A631 WeakPolarHBondContact O-CB 3.32Å; D628-A631 PolarHBondContact O-N 2.75Å; D628-A631 VanDerWaalsContact O-N 3.14Å; D628-L632 WeakPolarHBondContact O-CG 3.43Å; D628-L632 PolarHBondContact O-N 2.94Å; D628-Y744 PolarHBondContact OD2-OH 2.9Å
629	T	55.5	Low	61	Low	71 Å²	71	68.8 Å²	68.8	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-50.3	-53.5	172.4	45.8	0	0	0	0	112.7	S627 A631 L632 H633	S627-T629 PolarHBondContact O-N 2.85Å; S627-T629 PolarHBondContact OG-OG1 2.98Å; T629-A631 VanDerWaalsContact C-N 3.28Å; T629-A631 PolarHBondContact O-N 2.73Å; T629-L632 PolarHBondContact O-N 2.74Å; T629-L632 VanDerWaalsContact O-N 3.14Å; T629-H633 PolarHBondContact O-CD2 2.75Å; T629-H633 VanDerWaalsContact O-CG 3.26Å; T629-H633 PolarHBondContact O-N 3.5Å; T629-H633 PolarHBondContact O-NE2 3.5Å
630	K	57.4	Low	60.4	Low	133 Å²	133	72.8 Å²	72.8	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-64.9	-29.7	-179.7	-70.5	174.8	-179.3	170.8	0	113.1	V626 S627 D628	V626-K630 HydrophobicContact CG1-CB 4.4Å; S627-K630 WeakPolarHBondContact O-CA 3.1Å; S627-K630 WeakPolarHBondContact O-CB 3.29Å; S627-K630 PolarHBondContact O-N 2.88Å; D628-K630 PolarHBondContact O-N 2.93Å
631	A	56.5	Low	60.2	Low	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-69.1	-40.9	173.7	0	0	0	0	0	111.8	I618 V626 S627 D628 T629 V642	I618-A631 HydrophobicContact CD1-CB 3.84Å; I618-A631 HydrophobicContact CG1-CB 4.49Å; I618-A631 HydrophobicContact CG2-CB 4.05Å; V626-A631 HydrophobicContact CG1-CB 4.26Å; S627-A631 PolarHBondContact O-N 3.23Å; S627-A631 VanDerWaalsContact O-N 3.16Å; D628-A631 WeakPolarHBondContact O-CB 3.32Å; D628-A631 PolarHBondContact O-N 2.75Å; D628-A631 VanDerWaalsContact O-N 3.14Å; T629-A631 VanDerWaalsContact C-N 3.28Å; T629-A631 PolarHBondContact O-N 2.73Å; A631-V642 HydrophobicContact CB-CG2 3.51Å
632	L	59.1	Low	60.6	Low	18 Å²	18	72.1 Å²	72.1	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-78.1	-39.7	-177.1	-63.8	175.4	0	0	0	113.7	L616 I618 D628 T629 K634 Y744 R746	L616-L632 HydrophobicContact CD1-CD2 4.4Å; I618-L632 HydrophobicContact CD1-CD2 4.35Å; D628-L632 WeakPolarHBondContact O-CG 3.43Å; D628-L632 PolarHBondContact O-N 2.94Å; T629-L632 PolarHBondContact O-N 2.74Å; T629-L632 VanDerWaalsContact O-N 3.14Å; L632-K634 PolarHBondContact O-N 2.96Å; L632-Y744 HydrophobicContact CD1-CE1 4.36Å; L632-Y744 HydrophobicContact CD2-CD1 4.39Å; L632-Y744 HydrophobicContact CD2-CG 4.25Å; L632-R746 PolarHBondContact O-NH1 2.92Å; L632-R746 PolarHBondContact O-NH2 2.91Å
633	H	55.9	Low	61.6	Low	65 Å²	65	75.4 Å²	75.4	30%	0.301	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-29.7	-167.9	-61.6	-58.3	0	0	0	115.9	T629 L635 E691	T629-H633 PolarHBondContact O-CD2 2.75Å; T629-H633 VanDerWaalsContact O-CG 3.26Å; T629-H633 PolarHBondContact O-N 3.5Å; T629-H633 PolarHBondContact O-NE2 3.5Å; H633-L635 PolarHBondContact O-N 3.3Å; H633-E691 IonicContact CE1-OE1 2.83Å; H633-E691 PolarHBondContact CE1-OE1 3.15Å; H633-E691 IonicContact CE1-OE2 2.82Å; H633-E691 PolarHBondContact CE1-OE2 2.76Å; H633-E691 IonicContact CG-OE2 3.3Å; H633-E691 IonicContact ND1-OE1 3.55Å; H633-E691 PolarHBondContact ND1-OE1 2.9Å; H633-E691 IonicContact ND1-OE2 3.52Å; H633-E691 PolarHBondContact ND1-OE2 2.73Å
634	K	56.4	Low	63	Low	145 Å²	145	77.9 Å²	77.9	63%	0.63	38%	0.38	S	S	*	.			trans	-102.8	88.1	-163.8	-72.9	-165.8	175.3	-176	0	116.8	L632 K636 K637	L632-K634 PolarHBondContact O-N 2.96Å; K634-K636 VanDerWaalsContact C-N 3.33Å; K634-K636 PolarHBondContact O-N 3.48Å; K634-K637 CarbonylContact O-C 3.5Å; K634-K637 PolarHBondContact O-N 2.99Å
635	L	53.2	Low	64.4	Low	66 Å²	66	77.1 Å²	77.1	35%	0.346	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-40.2	174.7	-136.5	-179.9	0	0	0	115.5	H633 L693 L748	H633-L635 PolarHBondContact O-N 3.3Å; L635-L693 HydrophobicContact CD1-CD1 3.82Å; L635-L693 HydrophobicContact CD1-CD2 4.43Å; L635-L748 HydrophobicContact CD1-CD1 4.11Å; L635-L748 HydrophobicContact CD2-CD1 3.78Å; L635-L748 HydrophobicContact CG-CD1 4.03Å
636	K	59.4	Low	66	Low	214 Å²	214	68.9 Å²	68.9	93%	0.93	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-19.1	-171.9	-72.4	-170.9	176.9	-176.7	0	115.6	K634	K634-K636 VanDerWaalsContact C-N 3.33Å; K634-K636 PolarHBondContact O-N 3.48Å
637	K	66.8	Low	67.7	Low	176 Å²	176	73.5 Å²	73.5	77%	0.765	36%	0.358	S	S	*	.	S	Bend	trans	-158.6	96.8	178	-172.9	167.6	-176	171.3	0	108.5	K634	K634-K637 CarbonylContact O-C 3.5Å; K634-K637 PolarHBondContact O-N 2.99Å
638	Y	69.8	Low	69.5	Low	38 Å²	38	72 Å²	72	15%	0.149	35%	0.347	C	S	.	.			trans	-61.2	146.4	170.5	-75.6	-70.1	0	0	0	110.6	L616 V642 I644 R746	L616-Y638 HydrophobicContact CD1-CE1 3.93Å; L616-Y638 HydrophobicContact CD2-CE1 4.26Å; L616-Y638 HydrophobicContact CD2-CE2 4.41Å; Y638-V642 HydrophobicContact CD1-CB 4.25Å; Y638-V642 HydrophobicContact CD1-CG1 3.6Å; Y638-V642 HydrophobicContact CE1-CG1 4.22Å; Y638-V642 HydrophobicContact CG-CB 4.49Å; Y638-V642 HydrophobicContact CG-CG1 4.06Å; Y638-I644 HydrophobicContact CD2-CD1 3.96Å; Y638-I644 HydrophobicContact CD2-CG1 4.24Å; Y638-I644 HydrophobicContact CE2-CD1 3.8Å; Y638-I644 HydrophobicContact CE2-CG1 4.16Å; Y638-R746 WeakPolarHBondContact OH-CD 3.45Å; Y638-R746 PolarHBondContact OH-NH1 2.92Å
639	P	68.4	Low	71.4	Confident	28 Å²	28	77.5 Å²	77.5	18%	0.182	37%	0.371	C	S	.	.			trans	-56.2	154.1	166.6	-28.1	38.8	0	0	0	112.3	N641 V642	P639-N641 WeakPolarHBondContact CB-OD1 3.48Å; P639-N641 PolarHBondContact O-N 3.02Å; P639-V642 HydrophobicContact CB-CG2 4.21Å; P639-V642 HydrophobicContact CG-CG2 4.35Å; P639-V642 PolarHBondContact O-N 2.88Å
640	P	66	Low	73.3	Confident	105 Å²	105	79 Å²	79	68%	0.682	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.7	-174.6	28.6	-36.5	0	0	0	114.4
641	N	70.7	Confident	75.2	Confident	3 Å²	3	75 Å²	75	2%	0.016	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.1	176.5	69.5	-56	0	0	0	113.4	F619 L624 V626 P639	F619-N641 HydrophobicContact CB-CB 4.42Å; F619-N641 PolarHBondContact N-O 3.11Å; F619-N641 WeakPolarHBondContact O-CB 3.4Å; F619-N641 PolarHBondContact O-ND2 3.1Å; L624-N641 HydrophobicContact CD1-CB 3.91Å; V626-N641 WeakPolarHBondContact CG2-OD1 3.34Å; P639-N641 WeakPolarHBondContact CB-OD1 3.48Å; P639-N641 PolarHBondContact O-N 3.02Å
642	V	78.1	Confident	77	Confident	13 Å²	13	79 Å²	79	8%	0.079	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.1	177.3	-179.7	0	0	0	0	109.2	R617 I618 A631 Y638 P639	R617-V642 WeakPolarHBondContact O-CA 3.23Å; I618-V642 HydrophobicContact CG1-CG1 4.32Å; I618-V642 HydrophobicContact CG1-CG2 4.24Å; I618-V642 HydrophobicContact CG2-CG2 4.06Å; A631-V642 HydrophobicContact CB-CG2 3.51Å; Y638-V642 HydrophobicContact CD1-CB 4.25Å; Y638-V642 HydrophobicContact CD1-CG1 3.6Å; Y638-V642 HydrophobicContact CE1-CG1 4.22Å; Y638-V642 HydrophobicContact CG-CB 4.49Å; Y638-V642 HydrophobicContact CG-CG1 4.06Å; P639-V642 HydrophobicContact CB-CG2 4.21Å; P639-V642 HydrophobicContact CG-CG2 4.35Å; P639-V642 PolarHBondContact O-N 2.88Å
643	F	82.7	Confident	78.7	Confident	96 Å²	96	79.5 Å²	79.5	42%	0.421	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.8	-177.4	-66.4	-101.5	0	0	0	109.5	L616 R617 F619	L616-F643 WeakPolarHBondContact CA-O 3.09Å; R617-F643 HydrophobicContact CB-CB 4.43Å; R617-F643 PolarHBondContact N-O 2.81Å; R617-F643 PolarHBondContact O-N 2.89Å; F619-F643 AromaticContact CD2-CD2 3.53Å; F619-F643 HydrophobicContact CD2-CD2 3.53Å; F619-F643 AromaticContact CD2-CE2 3.48Å; F619-F643 HydrophobicContact CD2-CE2 3.48Å; F619-F643 VanDerWaalsContact CD2-CE2 3.48Å; F619-F643 AromaticContact CE2-CD2 3.51Å; F619-F643 HydrophobicContact CE2-CD2 3.51Å; F619-F643 AromaticContact CE2-CE2 3.62Å; F619-F643 HydrophobicContact CE2-CE2 3.62Å; F619-F643 HydrophobicContact CE2-CG 4.32Å; F619-F643 HydrophobicContact CE2-CZ 4.47Å
644	I	86.1	Confident	80.6	Confident	86 Å²	86	80.1 Å²	80.1	44%	0.441	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	101.3	168.8	-56.3	175.2	0	0	0	106.3	Y614 L616 Y638 G646	Y614-I644 HydrophobicContact CD1-CD1 4.31Å; Y614-I644 HydrophobicContact CD1-CG2 3.9Å; L616-I644 HydrophobicContact CD2-CG1 3.92Å; Y638-I644 HydrophobicContact CD2-CD1 3.96Å; Y638-I644 HydrophobicContact CD2-CG1 4.24Å; Y638-I644 HydrophobicContact CE2-CD1 3.8Å; Y638-I644 HydrophobicContact CE2-CG1 4.16Å; I644-G646 WeakPolarHBondContact CG2-O 3.3Å
645	D	87.2	Confident	82.3	Confident	30 Å²	30	79.8 Å²	79.8	16%	0.16	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-22	-178.6	-82.8	3.6	0	0	0	111.9	L615 R617 P727 Y743	L615-D645 HydrophobicContact CB-CB 4.45Å; L615-D645 HydrophobicContact CD2-CB 4.01Å; L615-D645 HydrophobicContact CG-CB 4.05Å; L615-D645 PolarHBondContact O-N 3.2Å; R617-D645 WeakPolarHBondContact CB-OD2 3.36Å; R617-D645 IonicContact CZ-OD1 3.58Å; R617-D645 IonicContact CZ-OD2 2.67Å; R617-D645 VanDerWaalsContact CZ-OD2 3.24Å; R617-D645 IonicContact NE-OD1 3.33Å; R617-D645 PolarHBondContact NE-OD1 3.04Å; R617-D645 IonicContact NE-OD2 3.52Å; R617-D645 PolarHBondContact NE-OD2 2.63Å; R617-D645 VanDerWaalsContact NH2-CG 3.29Å; R617-D645 IonicContact NH2-OD1 2.73Å; R617-D645 PolarHBondContact NH2-OD1 2.99Å; R617-D645 IonicContact NH2-OD2 3.67Å; R617-D645 PolarHBondContact NH2-OD2 3.32Å; R617-D645 VanDerWaalsContact NH2-OD2 3.15Å; D645-P727 HydrophobicContact CB-CG 3.96Å; D645-P727 VanDerWaalsContact O-CG 3.31Å; D645-P727 WeakPolarHBondContact O-CG 3.44Å; D645-Y743 VanDerWaalsContact OD2-CE1 3.26Å; D645-Y743 WeakPolarHBondContact OD2-CE1 3.46Å; D645-Y743 PolarHBondContact OD2-OH 3.09Å
646	G	88.7	Confident	83.9	Confident	17 Å²	17	83 Å²	83	18%	0.175	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	159.6	177.4	0	0	0	0	0	112.6	Y614 L615 I644	Y614-G646 CarbonylContact C-O 3.56Å; Y614-G646 WeakPolarHBondContact CA-O 3.14Å; L615-G646 PolarHBondContact N-O 3.42Å; L615-G646 PolarHBondContact O-N 3.06Å; I644-G646 WeakPolarHBondContact CG2-O 3.3Å
647	R	92.4	Very high	85.5	Confident	139 Å²	139	74.6 Å²	74.6	53%	0.525	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	140	177.5	-173.7	-164.9	175.8	-165.1	-0.7	110.3	E612 A613 Y614	E612-R647 IonicContact OE2-CZ 3.81Å; E612-R647 IonicContact OE2-NE 2.85Å; E612-R647 PolarHBondContact OE2-NE 3.35Å; E612-R647 IonicContact OE2-NH2 3.93Å; E612-R647 PolarHBondContact OE2-NH2 2.9Å; A613-R647 CarbonylContact O-C 3.56Å; A613-R647 WeakPolarHBondContact O-CA 3.46Å; Y614-R647 HydrophobicContact CD1-CB 4.08Å; Y614-R647 HydrophobicContact CD1-CG 3.71Å; Y614-R647 HydrophobicContact CE1-CB 4.31Å; Y614-R647 HydrophobicContact CE1-CG 3.55Å; Y614-R647 HydrophobicContact CG-CG 4.39Å; Y614-R647 PolarHBondContact OH-NE 3.27Å
648	T	95	Very high	86.7	Confident	13 Å²	13	71.3 Å²	71.3	8%	0.08	37%	0.372	C	S	.	.			trans	-80.7	165.1	172.6	72.6	0	0	0	0	112.2	E612 A613 L722 T723 L724	E612-T648 WeakPolarHBondContact CA-OG1 3.41Å; A613-T648 HydrophobicContact CB-CG2 3.9Å; A613-T648 PolarHBondContact N-OG1 3.4Å; A613-T648 PolarHBondContact O-N 3.08Å; T648-L722 HydrophobicContact CG2-CB 4.32Å; T648-L722 HydrophobicContact CG2-CD2 4.49Å; T648-T723 WeakPolarHBondContact CG2-O 3.49Å; T648-L724 HydrophobicContact CG2-CD2 3.6Å; T648-L724 HydrophobicContact CG2-CG 3.64Å
649	E	93.9	Very high	87.8	Confident	171 Å²	171	72.3 Å²	72.3	80%	0.799	38%	0.38	S	S	*	.			trans	-67.3	176.7	157.6	-59.3	-154.9	148.1	0	0	111.8	V651	E649-V651 PolarHBondContact O-N 3.35Å
650	K	95.6	Very high	89	Confident	104 Å²	104	73 Å²	73	45%	0.452	39%	0.385	S	S	.	.			trans	-91.9	97.6	-179.5	-68.8	-175.7	172	-159.8	0	110	Y610 V611 E612	Y610-K650 HydrophobicContact CD2-CB 3.71Å; Y610-K650 HydrophobicContact CD2-CD 3.73Å; Y610-K650 HydrophobicContact CD2-CG 3.65Å; Y610-K650 HydrophobicContact CE1-CD 4.38Å; Y610-K650 HydrophobicContact CE2-CB 4.29Å; Y610-K650 HydrophobicContact CE2-CD 3.41Å; Y610-K650 VanDerWaalsContact CE2-CD 3.41Å; Y610-K650 VanDerWaalsContact CE2-CE 3.48Å; Y610-K650 HydrophobicContact CE2-CG 3.74Å; Y610-K650 HydrophobicContact CG-CB 4.04Å; Y610-K650 HydrophobicContact CG-CD 4.33Å; Y610-K650 HydrophobicContact CG-CG 4.4Å; Y610-K650 PolarHBondContact OH-NZ 3.38Å; V611-K650 WeakPolarHBondContact O-CA 3.41Å; E612-K650 HydrophobicContact CB-CG 4.38Å; E612-K650 VanDerWaalsContact OE2-CE 3.24Å; E612-K650 WeakPolarHBondContact OE2-CE 3.39Å
651	V	96.9	Very high	90.3	Very high	48 Å²	48	68.7 Å²	68.7	29%	0.291	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-93	132.4	-174.1	-171.7	0	0	0	0	110.3	Y610 V611 E649 C720 L722	Y610-V651 CarbonylContact C-O 3.6Å; Y610-V651 VanDerWaalsContact CA-O 3.29Å; Y610-V651 WeakPolarHBondContact CA-O 3.5Å; Y610-V651 WeakPolarHBondContact CB-O 3.08Å; V611-V651 PolarHBondContact N-O 3.38Å; V611-V651 PolarHBondContact O-N 3.1Å; E649-V651 PolarHBondContact O-N 3.35Å; V651-C720 HydrophobicContact CG1-CB 3.93Å; V651-L722 HydrophobicContact CB-CD2 3.78Å; V651-L722 HydrophobicContact CG2-CD2 3.61Å
652	T	95.3	Very high	91.3	Very high	83 Å²	83	70.2 Å²	70.2	51%	0.509	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-82.9	159.8	174.1	50.9	0	0	0	0	111.2	C720	T652-C720 WeakPolarHBondContact O-CB 3.31Å
653	F	95.4	Very high	92	Very high	30 Å²	30	76 Å²	76	13%	0.132	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-73.3	138.6	166.6	-85	-103.8	0	0	0	110.3	M581 L600 T602 P605 I608 V611 A718 G719	M581-F653 HydrophobicContact CE-CE1 4.04Å; M581-F653 HydrophobicContact CE-CE2 4.36Å; M581-F653 HydrophobicContact CE-CZ 3.52Å; L600-F653 HydrophobicContact CB-CE1 4.31Å; L600-F653 HydrophobicContact CB-CZ 3.89Å; T602-F653 HydrophobicContact CG2-CD1 3.65Å; T602-F653 HydrophobicContact CG2-CE1 3.7Å; P605-F653 HydrophobicContact CB-CB 4.22Å; I608-F653 HydrophobicContact CB-CD2 4.18Å; I608-F653 HydrophobicContact CB-CE2 4.46Å; I608-F653 HydrophobicContact CD1-CD2 3.98Å; I608-F653 HydrophobicContact CD1-CE1 4.41Å; I608-F653 HydrophobicContact CD1-CE2 3.73Å; I608-F653 HydrophobicContact CD1-CG 4.41Å; I608-F653 HydrophobicContact CD1-CZ 3.98Å; I608-F653 HydrophobicContact CG2-CD2 3.71Å; I608-F653 HydrophobicContact CG2-CE2 3.75Å; V611-F653 HydrophobicContact CG2-CD2 4.21Å; V611-F653 HydrophobicContact CG2-CE2 3.47Å; V611-F653 VanDerWaalsContact CG2-CE2 3.47Å; V611-F653 HydrophobicContact CG2-CZ 4.31Å; F653-A718 HydrophobicContact CB-CB 4.46Å; F653-A718 HydrophobicContact CD1-CB 4.29Å; F653-G719 VanDerWaalsContact CD1-CA 3.48Å
654	T	94.2	Very high	92.4	Very high	78 Å²	78	74.1 Å²	74.1	48%	0.479	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.1	175.9	-53.6	0	0	0	0	108.7	A718 G719	T654-A718 CarbonylContact O-C 3.52Å; T654-A718 VanDerWaalsContact O-CA 3.28Å; T654-A718 WeakPolarHBondContact O-CA 3.31Å; T654-A718 WeakPolarHBondContact O-CB 3.39Å; T654-G719 PolarHBondContact N-O 3.44Å; T654-G719 PolarHBondContact O-N 3.37Å
655	E	92.4	Very high	92.6	Very high	137 Å²	137	70 Å²	70	64%	0.64	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.8	175.8	-62.4	-176	169.2	0	0	110.8	L657 A718	E655-L657 VanDerWaalsContact C-N 3.28Å; E655-L657 PolarHBondContact O-N 2.94Å; E655-A718 HydrophobicContact CG-CB 4.48Å
656	N	86.1	Confident	92.8	Very high	133 Å²	133	68.8 Å²	68.8	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	35.2	178.5	-49.9	-64.7	0	0	0	115	K717	N656-K717 PolarHBondContact N-O 2.76Å
657	L	93.4	Very high	92.6	Very high	39 Å²	39	71.1 Å²	71.1	20%	0.204	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-53.6	127.3	173	-176.4	75.8	0	0	0	110.3	F601 E655 L659	F601-L657 HydrophobicContact CE1-CB 4.16Å; F601-L657 HydrophobicContact CE1-CD2 3.95Å; F601-L657 HydrophobicContact CE1-CG 4.37Å; F601-L657 HydrophobicContact CZ-CD2 4.06Å; E655-L657 VanDerWaalsContact C-N 3.28Å; E655-L657 PolarHBondContact O-N 2.94Å; L657-L659 PolarHBondContact O-N 2.66Å
658	P	92.6	Very high	92.3	Very high	107 Å²	107	66.8 Å²	66.8	70%	0.695	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-54.7	135.9	178.4	-28.6	36.5	0	0	0	112.8	P660	P658-P660 WeakPolarHBondContact O-CD 3.47Å
659	L	93.2	Very high	91.7	Very high	59 Å²	59	66.3 Å²	66.3	31%	0.309	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-75.6	118.8	-180	-60.8	-179.3	0	0	0	109.8	F601 L657 Y661 R713	F601-L659 HydrophobicContact CD1-CD2 4.28Å; F601-L659 HydrophobicContact CE1-CD2 3.62Å; F601-L659 HydrophobicContact CZ-CD2 3.76Å; L657-L659 PolarHBondContact O-N 2.66Å; L659-Y661 VanDerWaalsContact C-N 3.25Å; L659-Y661 PolarHBondContact O-N 2.73Å; L659-R713 HydrophobicContact CD1-CB 4Å; L659-R713 HydrophobicContact CD1-CG 4.15Å
660	P	92.6	Very high	90.7	Very high	43 Å²	43	59 Å²	59	28%	0.279	33%	0.33	S	S	.	.	S	Bend	trans	-74.7	-9.4	-171.5	28.2	-35.4	0	0	0	114.8	Y599 P658	Y599-P660 HydrophobicContact CD1-CB 4.35Å; Y599-P660 HydrophobicContact CD1-CG 3.86Å; Y599-P660 HydrophobicContact CD2-CB 4.31Å; Y599-P660 HydrophobicContact CD2-CG 3.75Å; Y599-P660 HydrophobicContact CE1-CB 3.96Å; Y599-P660 HydrophobicContact CE1-CG 4Å; Y599-P660 HydrophobicContact CE2-CB 3.92Å; Y599-P660 HydrophobicContact CE2-CG 3.9Å; Y599-P660 HydrophobicContact CG-CG 3.74Å; P658-P660 WeakPolarHBondContact O-CD 3.47Å
661	Y	93.3	Very high	89.7	Confident	13 Å²	13	59 Å²	59	5%	0.051	33%	0.328	C	S	.	.	S	Bend	trans	-134.8	146.4	-176.4	-54.3	-67.9	0	0	0	111.6	R566 P568 Q584 E586 Y599 L659 R713	R566-Y661 WeakPolarHBondContact O-CD1 3.42Å; P568-Y661 HydrophobicContact CB-CD2 3.93Å; P568-Y661 HydrophobicContact CB-CE1 4.38Å; P568-Y661 HydrophobicContact CB-CE2 3.64Å; P568-Y661 HydrophobicContact CB-CG 4.45Å; P568-Y661 HydrophobicContact CG-CD1 4.36Å; P568-Y661 HydrophobicContact CG-CD2 3.73Å; P568-Y661 HydrophobicContact CG-CE2 4Å; P568-Y661 HydrophobicContact CG-CG 3.96Å; Q584-Y661 HydrophobicContact CB-CE2 4.47Å; E586-Y661 WeakPolarHBondContact CA-OH 3.28Å; E586-Y661 VanDerWaalsContact CB-OH 3.31Å; E586-Y661 WeakPolarHBondContact CB-OH 3.36Å; Y599-Y661 HydrophobicContact CD2-CE2 4.28Å; Y599-Y661 HydrophobicContact CE2-CE2 4.38Å; L659-Y661 VanDerWaalsContact C-N 3.25Å; L659-Y661 PolarHBondContact O-N 2.73Å; Y661-R713 PolarHBondContact O-NH1 2.87Å; Y661-R713 PolarHBondContact O-NH2 2.88Å
662	S	92.9	Very high	88.5	Confident	35 Å²	35	57.3 Å²	57.3	25%	0.245	32%	0.317	C	S	.	.			trans	-66.5	159.9	169.4	77.4	0	0	0	0	111.7	E565 A664 A665 E666	E565-S662 WeakPolarHBondContact OE1-CA 3.39Å; E565-S662 WeakPolarHBondContact OE1-CB 3.19Å; E565-S662 PolarHBondContact OE1-N 2.76Å; E565-S662 PolarHBondContact OE1-OG 2.79Å; E565-S662 WeakPolarHBondContact OE2-CB 3.33Å; E565-S662 PolarHBondContact OE2-OG 3.49Å; S662-A664 PolarHBondContact O-N 2.77Å; S662-A664 PolarHBondContact OG-N 2.77Å; S662-A665 PolarHBondContact O-N 2.96Å; S662-A665 VanDerWaalsContact O-N 3.14Å; S662-A665 PolarHBondContact OG-N 2.96Å; S662-E666 WeakPolarHBondContact O-CG 3.49Å; S662-E666 PolarHBondContact O-N 2.88Å
663	E	91.5	Very high	87	Confident	135 Å²	135	54.1 Å²	54.1	63%	0.631	30%	0.296	S	S	*	.	H	α-helix	trans	-61.7	-29.4	175.7	-172.9	175.7	178.4	0	0	112.4	T667	E663-T667 VanDerWaalsContact O-CB 3.29Å; E663-T667 WeakPolarHBondContact O-CB 3.2Å; E663-T667 PolarHBondContact O-N 3Å; E663-T667 PolarHBondContact O-OG1 3.3Å
664	A	90.9	Very high	85.4	Confident	56 Å²	56	55.7 Å²	55.7	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-43.2	173.5	0	0	0	0	0	111.7	L561 S662 T667 E668	L561-A664 HydrophobicContact CD1-CB 3.9Å; S662-A664 PolarHBondContact O-N 2.77Å; S662-A664 PolarHBondContact OG-N 2.77Å; A664-T667 PolarHBondContact O-N 3.01Å; A664-E668 WeakPolarHBondContact O-CB 3.15Å; A664-E668 PolarHBondContact O-N 2.66Å
665	A	91.6	Very high	83.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-39.7	177.4	0	0	0	0	0	111.8	L561 S662 E668 S669	L561-A665 HydrophobicContact CD1-CB 4.01Å; S662-A665 PolarHBondContact O-N 2.96Å; S662-A665 VanDerWaalsContact O-N 3.14Å; S662-A665 PolarHBondContact OG-N 2.96Å; A665-E668 PolarHBondContact O-N 3.37Å; A665-S669 WeakPolarHBondContact O-CB 3.49Å; A665-S669 PolarHBondContact O-N 3.21Å
666	E	90	Very high	81.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-40.2	174.1	-66.3	-165.8	157.4	0	0	112.6	M571 Q584 S662 S669 G670 R713 R716	M571-E666 HydrophobicContact CE-CB 3.83Å; M571-E666 HydrophobicContact CE-CG 3.79Å; M571-E666 HydrophobicContact SD-CB 3.65Å; M571-E666 HydrophobicContact SD-CG 3.61Å; Q584-E666 PolarHBondContact NE2-OE1 2.98Å; S662-E666 WeakPolarHBondContact O-CG 3.49Å; S662-E666 PolarHBondContact O-N 2.88Å; E666-S669 WeakPolarHBondContact O-CB 3.39Å; E666-S669 PolarHBondContact O-N 2.92Å; E666-G670 PolarHBondContact O-N 2.84Å; E666-R713 IonicContact OE1-NH1 3.88Å; E666-R713 PolarHBondContact OE1-NH1 3.46Å; E666-R713 WeakPolarHBondContact OE2-CG 3.41Å; E666-R713 IonicContact OE2-CZ 2.91Å; E666-R713 IonicContact OE2-NH1 3.78Å; E666-R713 PolarHBondContact OE2-NH1 2.8Å; E666-R716 IonicContact OE1-CZ 3.45Å; E666-R716 IonicContact OE1-NH1 3.45Å; E666-R716 PolarHBondContact OE1-NH1 3.25Å; E666-R716 IonicContact OE1-NH2 3.28Å; E666-R716 IonicContact OE2-CZ 2.76Å; E666-R716 IonicContact OE2-NH1 2.68Å; E666-R716 PolarHBondContact OE2-NH1 2.92Å; E666-R716 IonicContact OE2-NH2 3.48Å; E666-R716 PolarHBondContact OE2-NH2 2.85Å
667	T	85.9	Confident	79.9	Confident	66 Å²	66	52.8 Å²	52.8	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-42.9	176.9	-60.2	0	0	0	0	111.8	E663 A664 S669 G670 R671	E663-T667 VanDerWaalsContact O-CB 3.29Å; E663-T667 WeakPolarHBondContact O-CB 3.2Å; E663-T667 PolarHBondContact O-N 3Å; E663-T667 PolarHBondContact O-OG1 3.3Å; A664-T667 PolarHBondContact O-N 3.01Å; T667-S669 VanDerWaalsContact C-N 3.34Å; T667-S669 PolarHBondContact O-N 3.34Å; T667-G670 PolarHBondContact O-N 2.82Å; T667-R671 PolarHBondContact O-N 2.83Å
668	E	84.8	Confident	77.9	Confident	48 Å²	48	55.4 Å²	55.4	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-68.8	-31.9	178.7	-177.1	64.9	178.7	0	0	112.3	L561 I567 A664 A665 G670 R671 L672	L561-E668 HydrophobicContact CD2-CB 3.95Å; L561-E668 HydrophobicContact CD2-CG 3.95Å; I567-E668 HydrophobicContact CD1-CB 4.35Å; I567-E668 HydrophobicContact CD1-CG 3.59Å; I567-E668 HydrophobicContact CG1-CG 4.26Å; A664-E668 WeakPolarHBondContact O-CB 3.15Å; A664-E668 PolarHBondContact O-N 2.66Å; A665-E668 PolarHBondContact O-N 3.37Å; E668-G670 VanDerWaalsContact C-N 3.35Å; E668-G670 PolarHBondContact O-N 2.83Å; E668-R671 VanDerWaalsContact CD-NE 3.26Å; E668-R671 WeakPolarHBondContact O-CB 3.21Å; E668-R671 PolarHBondContact O-N 2.92Å; E668-R671 VanDerWaalsContact O-N 3.12Å; E668-R671 IonicContact OE1-CZ 3.82Å; E668-R671 VanDerWaalsContact OE1-CZ 3.28Å; E668-R671 IonicContact OE1-NE 3.89Å; E668-R671 PolarHBondContact OE1-NE 2.75Å; E668-R671 VanDerWaalsContact OE1-NE 3.08Å; E668-R671 IonicContact OE1-NH2 3.77Å; E668-R671 PolarHBondContact OE1-NH2 3.26Å; E668-R671 WeakPolarHBondContact OE2-CD 3.41Å; E668-R671 IonicContact OE2-CZ 2.86Å; E668-R671 IonicContact OE2-NE 2.7Å; E668-R671 PolarHBondContact OE2-NE 2.74Å; E668-R671 IonicContact OE2-NH2 3.99Å; E668-L672 HydrophobicContact CG-CD1 4.5Å; E668-L672 WeakPolarHBondContact O-CG 3.21Å; E668-L672 PolarHBondContact O-N 3.09Å
669	S	83.1	Confident	75.9	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-55.7	-48	170.5	-178.1	0	0	0	0	111.7	P568 A665 E666 T667 R671 L672 F673	P568-S669 VanDerWaalsContact O-CB 3.3Å; P568-S669 WeakPolarHBondContact O-CB 3.25Å; P568-S669 PolarHBondContact O-OG 2.88Å; A665-S669 WeakPolarHBondContact O-CB 3.49Å; A665-S669 PolarHBondContact O-N 3.21Å; E666-S669 WeakPolarHBondContact O-CB 3.39Å; E666-S669 PolarHBondContact O-N 2.92Å; T667-S669 VanDerWaalsContact C-N 3.34Å; T667-S669 PolarHBondContact O-N 3.34Å; S669-R671 VanDerWaalsContact C-N 3.3Å; S669-R671 PolarHBondContact O-N 3.46Å; S669-L672 PolarHBondContact O-N 2.75Å; S669-F673 WeakPolarHBondContact O-CB 3.34Å; S669-F673 PolarHBondContact O-N 3.08Å
670	G	74.1	Confident	73.8	Confident	17 Å²	17	49.2 Å²	49.2	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-36.6	174.8	0	0	0	0	0	113.2	E666 T667 E668 S674	E666-G670 PolarHBondContact O-N 2.84Å; T667-G670 PolarHBondContact O-N 2.82Å; E668-G670 VanDerWaalsContact C-N 3.35Å; E668-G670 PolarHBondContact O-N 2.83Å; G670-S674 WeakPolarHBondContact O-CB 3.28Å; G670-S674 PolarHBondContact O-N 2.81Å; G670-S674 PolarHBondContact O-OG 3.36Å
671	R	74.5	Confident	71.5	Confident	105 Å²	105	48.2 Å²	48.2	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-38.7	176.5	-162.4	-162.2	66.3	73.1	0.5	112.9	T667 E668 S669 S674 N675	T667-R671 PolarHBondContact O-N 2.83Å; E668-R671 VanDerWaalsContact CD-NE 3.26Å; E668-R671 WeakPolarHBondContact O-CB 3.21Å; E668-R671 PolarHBondContact O-N 2.92Å; E668-R671 VanDerWaalsContact O-N 3.12Å; E668-R671 IonicContact OE1-CZ 3.82Å; E668-R671 VanDerWaalsContact OE1-CZ 3.28Å; E668-R671 IonicContact OE1-NE 3.89Å; E668-R671 PolarHBondContact OE1-NE 2.75Å; E668-R671 VanDerWaalsContact OE1-NE 3.08Å; E668-R671 IonicContact OE1-NH2 3.77Å; E668-R671 PolarHBondContact OE1-NH2 3.26Å; E668-R671 WeakPolarHBondContact OE2-CD 3.41Å; E668-R671 IonicContact OE2-CZ 2.86Å; E668-R671 IonicContact OE2-NE 2.7Å; E668-R671 PolarHBondContact OE2-NE 2.74Å; E668-R671 IonicContact OE2-NH2 3.99Å; S669-R671 VanDerWaalsContact C-N 3.3Å; S669-R671 PolarHBondContact O-N 3.46Å; R671-S674 WeakPolarHBondContact CA-OG 3.5Å; R671-S674 PolarHBondContact O-OG 2.81Å; R671-N675 PolarHBondContact O-N 3.15Å
672	L	71.2	Confident	69.3	Low	13 Å²	13	49.7 Å²	49.7	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-44.4	175.1	-69.8	176.7	0	0	0	111.2	Y559 I567 E668 S669 S674 N675 Y678	Y559-L672 HydrophobicContact CD1-CD1 4.02Å; Y559-L672 HydrophobicContact CD2-CD1 4.21Å; Y559-L672 HydrophobicContact CG-CD1 3.79Å; I567-L672 HydrophobicContact CD1-CD1 4.2Å; I567-L672 HydrophobicContact CG2-CD1 4.07Å; E668-L672 HydrophobicContact CG-CD1 4.5Å; E668-L672 WeakPolarHBondContact O-CG 3.21Å; E668-L672 PolarHBondContact O-N 3.09Å; S669-L672 PolarHBondContact O-N 2.75Å; L672-S674 VanDerWaalsContact C-N 3.34Å; L672-S674 PolarHBondContact O-N 2.83Å; L672-N675 PolarHBondContact O-N 2.91Å; L672-N675 VanDerWaalsContact O-O 3.14Å; L672-Y678 HydrophobicContact CD2-CD1 4.17Å; L672-Y678 HydrophobicContact CD2-CD2 3.8Å; L672-Y678 HydrophobicContact CD2-CE1 4.41Å; L672-Y678 HydrophobicContact CD2-CE2 4.05Å; L672-Y678 HydrophobicContact CD2-CG 3.85Å
673	F	63.7	Low	67.2	Low	16 Å²	16	48.2 Å²	48.2	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-39.8	179.1	-160.3	-90.4	0	0	0	112.3	I570 S669 N675 L679 R684 C705	I570-F673 HydrophobicContact CD1-CE2 4.31Å; I570-F673 HydrophobicContact CG1-CD2 4.45Å; I570-F673 HydrophobicContact CG1-CE2 4.14Å; S669-F673 WeakPolarHBondContact O-CB 3.34Å; S669-F673 PolarHBondContact O-N 3.08Å; F673-N675 VanDerWaalsContact C-N 3.32Å; F673-N675 PolarHBondContact O-N 2.76Å; F673-L679 HydrophobicContact CB-CD1 4.29Å; F673-L679 HydrophobicContact CD2-CD1 3.71Å; F673-L679 HydrophobicContact CE2-CD1 4.42Å; F673-L679 HydrophobicContact CG-CD1 4.31Å; F673-R684 PolarHBondContact O-NH2 2.7Å; F673-C705 HydrophobicContact CD1-CB 4.35Å
674	S	61.7	Low	65	Low	63 Å²	63	45.2 Å²	45.2	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-73.4	-12.9	178	55.1	0	0	0	0	115.1	G670 R671 L672 R684	G670-S674 WeakPolarHBondContact O-CB 3.28Å; G670-S674 PolarHBondContact O-N 2.81Å; G670-S674 PolarHBondContact O-OG 3.36Å; R671-S674 WeakPolarHBondContact CA-OG 3.5Å; R671-S674 PolarHBondContact O-OG 2.81Å; L672-S674 VanDerWaalsContact C-N 3.34Å; L672-S674 PolarHBondContact O-N 2.83Å; S674-R684 PolarHBondContact O-NH2 3.12Å
675	N	58.5	Low	62.5	Low	48 Å²	48	47.3 Å²	47.3	26%	0.257	25%	0.245	S	C	.	.			trans	-100.6	124.4	173.6	-176.4	-27.4	0	0	0	112.6	R671 L672 F673 Q677 Y678	R671-N675 PolarHBondContact O-N 3.15Å; L672-N675 PolarHBondContact O-N 2.91Å; L672-N675 VanDerWaalsContact O-O 3.14Å; F673-N675 VanDerWaalsContact C-N 3.32Å; F673-N675 PolarHBondContact O-N 2.76Å; N675-Q677 VanDerWaalsContact C-N 3.25Å; N675-Q677 PolarHBondContact O-N 3.18Å; N675-Q677 WeakPolarHBondContact OD1-CB 3.48Å; N675-Q677 PolarHBondContact OD1-N 3.47Å; N675-Y678 HydrophobicContact CB-CD2 3.92Å; N675-Y678 HydrophobicContact CB-CE2 4.2Å
676	S	47.6	Very low	60.2	Low	79 Å²	79	48.8 Å²	48.8	55%	0.552	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15	-175.6	48.4	0	0	0	0	115.2
677	Q	52	Low	57.7	Low	160 Å²	160	55.2 Å²	55.2	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.5	-175.1	-60.2	179.9	-1.6	0	0	113.6	N675	N675-Q677 VanDerWaalsContact C-N 3.25Å; N675-Q677 PolarHBondContact O-N 3.18Å; N675-Q677 WeakPolarHBondContact OD1-CB 3.48Å; N675-Q677 PolarHBondContact OD1-N 3.47Å
678	Y	51	Low	55.4	Low	93 Å²	93	52.9 Å²	52.9	37%	0.365	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-23.8	-178.5	-60	-74.9	0	0	0	113.7	Y559 L672 N675	Y559-Y678 HydrophobicContact CE1-CD1 4.21Å; Y559-Y678 PolarHBondContact OH-O 2.99Å; Y559-Y678 VanDerWaalsContact OH-O 3.14Å; L672-Y678 HydrophobicContact CD2-CD1 4.17Å; L672-Y678 HydrophobicContact CD2-CD2 3.8Å; L672-Y678 HydrophobicContact CD2-CE1 4.41Å; L672-Y678 HydrophobicContact CD2-CE2 4.05Å; L672-Y678 HydrophobicContact CD2-CG 3.85Å; N675-Y678 HydrophobicContact CB-CD2 3.92Å; N675-Y678 HydrophobicContact CB-CE2 4.2Å
679	L	50.1	Low	53.1	Low	13 Å²	13	52.3 Å²	52.3	7%	0.068	26%	0.262	C	S	.	.	S	Bend	trans	-131.3	114.1	-175.8	-86.5	155.6	0	0	0	110.1	L588 F673 Y683	L588-L679 HydrophobicContact CD1-CD2 3.59Å; F673-L679 HydrophobicContact CB-CD1 4.29Å; F673-L679 HydrophobicContact CD2-CD1 3.71Å; F673-L679 HydrophobicContact CE2-CD1 4.42Å; F673-L679 HydrophobicContact CG-CD1 4.31Å; L679-Y683 HydrophobicContact CD2-CD2 3.99Å; L679-Y683 HydrophobicContact CD2-CG 4.08Å
680	P	49.2	Very low	50.9	Low	23 Å²	23	54.3 Å²	54.3	15%	0.149	28%	0.276	C	S	.	.			trans	-51	146.2	175.3	-29.9	35.9	0	0	0	113	H682 Y683 M774 L777	P680-H682 VanDerWaalsContact C-N 3.28Å; P680-H682 PolarHBondContact O-N 3.44Å; P680-H682 VanDerWaalsContact O-N 3.1Å; P680-Y683 HydrophobicContact CB-CD2 4.17Å; P680-Y683 HydrophobicContact CB-CE2 4.44Å; P680-Y683 HydrophobicContact CG-CD2 4.33Å; P680-Y683 HydrophobicContact CG-CE2 4.27Å; P680-Y683 PolarHBondContact O-N 3.22Å; P680-M774 HydrophobicContact CG-CB 3.99Å; P680-L777 HydrophobicContact CB-CB 4.45Å
681	S	44.6	Very low	49.4	Very low	23 Å²	23	55.9 Å²	55.9	16%	0.161	28%	0.278	C	S	.	.	H	α-helix	trans	-53.8	-40	-167.1	60.1	0	0	0	0	114.2	Y683 R684 D685 G780 N781	S681-Y683 PolarHBondContact O-N 2.94Å; S681-Y683 VanDerWaalsContact O-N 3.07Å; S681-R684 CarbonylContact O-C 3.54Å; S681-R684 WeakPolarHBondContact O-CA 3.35Å; S681-R684 VanDerWaalsContact O-CB 3.27Å; S681-R684 WeakPolarHBondContact O-CB 3.43Å; S681-R684 PolarHBondContact O-N 3.14Å; S681-D685 PolarHBondContact O-N 3.29Å; S681-G780 PolarHBondContact OG-N 3.46Å; S681-G780 VanDerWaalsContact OG-N 3.1Å; S681-N781 WeakPolarHBondContact CB-OD1 3.26Å; S681-N781 PolarHBondContact OG-OD1 3.21Å
682	H	46.3	Very low	47.8	Very low	44 Å²	44	51.3 Å²	51.3	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-16.7	-179.4	75.2	-82.9	0	0	0	115	P680 F686 L777	P680-H682 VanDerWaalsContact C-N 3.28Å; P680-H682 PolarHBondContact O-N 3.44Å; P680-H682 VanDerWaalsContact O-N 3.1Å; H682-F686 WeakPolarHBondContact O-CB 3.3Å; H682-F686 PolarHBondContact O-N 2.76Å; H682-F686 VanDerWaalsContact O-N 3.16Å; H682-L777 WeakPolarHBondContact CE1-CB 3.28Å; H682-L777 VanDerWaalsContact CE1-CD1 3.41Å; H682-L777 WeakPolarHBondContact CE1-CD1 3.39Å
683	Y	48.7	Very low	46.4	Very low	4 Å²	4	53 Å²	53	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-78.4	-29.8	168.5	-69.6	-73.9	0	0	0	112.5	L588 L679 P680 S681 P761 S763 M774 L777	L588-Y683 HydrophobicContact CB-CE1 4.19Å; L588-Y683 HydrophobicContact CD1-CD1 3.81Å; L588-Y683 HydrophobicContact CD1-CE1 3.81Å; L588-Y683 HydrophobicContact CD1-CG 4.31Å; L588-Y683 HydrophobicContact CD2-CD1 4.37Å; L588-Y683 HydrophobicContact CD2-CE1 4.08Å; L588-Y683 HydrophobicContact CG-CE1 4.25Å; L679-Y683 HydrophobicContact CD2-CD2 3.99Å; L679-Y683 HydrophobicContact CD2-CG 4.08Å; P680-Y683 HydrophobicContact CB-CD2 4.17Å; P680-Y683 HydrophobicContact CB-CE2 4.44Å; P680-Y683 HydrophobicContact CG-CD2 4.33Å; P680-Y683 HydrophobicContact CG-CE2 4.27Å; P680-Y683 PolarHBondContact O-N 3.22Å; S681-Y683 PolarHBondContact O-N 2.94Å; S681-Y683 VanDerWaalsContact O-N 3.07Å; Y683-P761 HydrophobicContact CD1-CG 4.16Å; Y683-P761 HydrophobicContact CE1-CG 4.21Å; Y683-P761 WeakPolarHBondContact CE1-O 3.33Å; Y683-S763 PolarHBondContact OH-OG 3.09Å; Y683-M774 HydrophobicContact CE2-CE 4.04Å; Y683-L777 HydrophobicContact CE2-CD1 3.95Å
684	R	45.4	Very low	45.2	Very low	72 Å²	72	58.7 Å²	58.7	27%	0.272	30%	0.303	S	S	.	.	H	α-helix	trans	-80.1	-51.3	180	-40.2	176.1	107.4	-129	-9.8	109.3	F673 S674 S681 F686	F673-R684 PolarHBondContact O-NH2 2.7Å; S674-R684 PolarHBondContact O-NH2 3.12Å; S681-R684 CarbonylContact O-C 3.54Å; S681-R684 WeakPolarHBondContact O-CA 3.35Å; S681-R684 VanDerWaalsContact O-CB 3.27Å; S681-R684 WeakPolarHBondContact O-CB 3.43Å; S681-R684 PolarHBondContact O-N 3.14Å; R684-F686 PolarHBondContact O-N 2.85Å
685	D	38.9	Very low	44	Very low	99 Å²	99	58.1 Å²	58.1	53%	0.529	30%	0.299	S	S	.	.	S	Bend	trans	-74.5	3.7	173.9	-61	-50.4	0	0	0	112.6	S681 R687	S681-D685 PolarHBondContact O-N 3.29Å; D685-R687 PolarHBondContact O-N 2.95Å
686	F	42.5	Very low	42.8	Very low	31 Å²	31	62.8 Å²	62.8	14%	0.136	33%	0.329	C	S	.	.			trans	-67.5	79.8	162.8	-156.7	-90.6	0	0	0	110.1	K572 H682 R684 V688 Y744 S759 P761	K572-F686 PolarHBondContact NZ-O 3.08Å; K572-F686 VanDerWaalsContact NZ-O 3.07Å; H682-F686 WeakPolarHBondContact O-CB 3.3Å; H682-F686 PolarHBondContact O-N 2.76Å; H682-F686 VanDerWaalsContact O-N 3.16Å; R684-F686 PolarHBondContact O-N 2.85Å; F686-V688 PolarHBondContact O-N 2.82Å; F686-Y744 HydrophobicContact CE2-CE1 4.11Å; F686-S759 WeakPolarHBondContact CE1-O 3.19Å; F686-P761 VanDerWaalsContact CD2-CD 3.46Å; F686-P761 HydrophobicContact CD2-CG 3.91Å; F686-P761 HydrophobicContact CE2-CG 4.34Å; F686-P761 HydrophobicContact CG-CG 4.43Å
687	R	37.4	Very low	42	Very low	140 Å²	140	66.3 Å²	66.3	53%	0.528	34%	0.337	S	S	.	.			trans	-52.6	118.5	160.9	-65.3	178.4	178.5	-160.8	-2.4	106.6	D685 S689	D685-R687 PolarHBondContact O-N 2.95Å; R687-S689 PolarHBondContact O-N 2.83Å
688	V	37.2	Very low	41.3	Very low	16 Å²	16	65.1 Å²	65.1	10%	0.097	33%	0.331	C	S	.	.			trans	-63.9	113.7	173.6	-167.1	0	0	0	0	106.3	K572 F686 C690 L703 Y758	K572-V688 HydrophobicContact CD-CG2 3.78Å; F686-V688 PolarHBondContact O-N 2.82Å; V688-C690 WeakPolarHBondContact CG1-SG 3.12Å; V688-C690 PolarHBondContact O-N 3.3Å; V688-L703 HydrophobicContact CB-CD1 4.37Å; V688-L703 HydrophobicContact CG2-CD1 4.12Å; V688-Y758 HydrophobicContact CB-CE2 4.26Å; V688-Y758 HydrophobicContact CG1-CD2 3.32Å; V688-Y758 HydrophobicContact CG1-CE2 3.46Å; V688-Y758 VanDerWaalsContact CG1-CE2 3.46Å; V688-Y758 HydrophobicContact CG1-CG 4.22Å; V688-Y758 HydrophobicContact CG2-CD2 4.43Å; V688-Y758 HydrophobicContact CG2-CE2 3.71Å
689	S	37.8	Very low	40.4	Very low	37 Å²	37	65.2 Å²	65.2	26%	0.259	35%	0.346	S	S	.	.			trans	-70.3	72.9	164.8	61	0	0	0	0	107.6	R687 E691	R687-S689 PolarHBondContact O-N 2.83Å; S689-E691 PolarHBondContact O-N 2.67Å
690	C	37.3	Very low	39.6	Very low	44 Å²	44	71 Å²	71	30%	0.297	37%	0.372	S	S	.	.			trans	-68.3	50.1	170.3	-76.7	0	0	0	0	110.1	V688 S692 M756	V688-C690 WeakPolarHBondContact CG1-SG 3.12Å; V688-C690 PolarHBondContact O-N 3.3Å; C690-S692 PolarHBondContact O-N 2.99Å; C690-S692 VanDerWaalsContact O-N 3.08Å; C690-M756 HydrophobicContact CB-CE 4.37Å
691	E	42.3	Very low	38.9	Very low	50 Å²	50	79.1 Å²	79.1	23%	0.234	40%	0.4	C	S	.	.			trans	-70.3	105.9	175.5	-68.7	-178.9	175.8	0	0	107.2	H633 S689 L693	H633-E691 IonicContact CE1-OE1 2.83Å; H633-E691 PolarHBondContact CE1-OE1 3.15Å; H633-E691 IonicContact CE1-OE2 2.82Å; H633-E691 PolarHBondContact CE1-OE2 2.76Å; H633-E691 IonicContact CG-OE2 3.3Å; H633-E691 IonicContact ND1-OE1 3.55Å; H633-E691 PolarHBondContact ND1-OE1 2.9Å; H633-E691 IonicContact ND1-OE2 3.52Å; H633-E691 PolarHBondContact ND1-OE2 2.73Å; S689-E691 PolarHBondContact O-N 2.67Å; E691-L693 PolarHBondContact O-N 3.07Å; E691-L693 VanDerWaalsContact O-N 3.09Å
692	S	40.1	Very low	38.4	Very low	10 Å²	10	83.7 Å²	83.7	7%	0.07	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-54.2	113.6	149.2	142.7	0	0	0	0	105.9	C690 N694 S695	C690-S692 PolarHBondContact O-N 2.99Å; C690-S692 VanDerWaalsContact O-N 3.08Å; S692-N694 PolarHBondContact O-N 3.34Å; S692-S695 VanDerWaalsContact CB-OG 3.3Å; S692-S695 WeakPolarHBondContact CB-OG 3.35Å; S692-S695 PolarHBondContact O-N 2.85Å; S692-S695 PolarHBondContact O-OG 2.83Å; S692-S695 PolarHBondContact OG-OG 2.89Å; S692-S695 VanDerWaalsContact OG-OG 3.12Å
693	L	42.5	Very low	38.1	Very low	47 Å²	47	85.2 Å²	85.2	25%	0.246	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-2.1	-170.9	-72.4	144	0	0	0	114.2	L635 E691 L748 V755 A757	L635-L693 HydrophobicContact CD1-CD1 3.82Å; L635-L693 HydrophobicContact CD1-CD2 4.43Å; E691-L693 PolarHBondContact O-N 3.07Å; E691-L693 VanDerWaalsContact O-N 3.09Å; L693-L748 HydrophobicContact CD1-CD2 4.37Å; L693-V755 HydrophobicContact CD1-CB 4.03Å; L693-V755 HydrophobicContact CD1-CG1 3.8Å; L693-V755 PolarHBondContact N-O 2.83Å; L693-A757 HydrophobicContact CD1-CB 4.17Å; L693-A757 HydrophobicContact CG-CB 4.47Å
694	N	38.9	Very low	37.5	Very low	137 Å²	137	93.1 Å²	93.1	73%	0.733	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	4.1	177.7	-60.1	-15	0	0	0	113.6	S692	S692-N694 PolarHBondContact O-N 3.34Å
695	S	35.1	Very low	37.3	Very low	50 Å²	50	92.8 Å²	92.8	35%	0.35	48%	0.481	S	S	.	.			trans	-117.4	130	-178.6	48.5	0	0	0	0	112.4	S692 E697	S692-S695 VanDerWaalsContact CB-OG 3.3Å; S692-S695 WeakPolarHBondContact CB-OG 3.35Å; S692-S695 PolarHBondContact O-N 2.85Å; S692-S695 PolarHBondContact O-OG 2.83Å; S692-S695 PolarHBondContact OG-OG 2.89Å; S692-S695 VanDerWaalsContact OG-OG 3.12Å; S695-E697 PolarHBondContact O-N 2.88Å
696	T	33.4	Very low	37.7	Very low	147 Å²	147	92.1 Å²	92.1	90%	0.902	48%	0.478	S	S	*	.			trans	-78.7	3.3	176.1	39.1	0	0	0	0	114.4
697	E	31.5	Very low	38.3	Very low	153 Å²	153	90.9 Å²	90.9	72%	0.715	47%	0.473	S	S	*	.			trans	-96.8	107.4	-172	-66.7	175.1	172	0	0	111.7	S695 S699	S695-E697 PolarHBondContact O-N 2.88Å; E697-S699 VanDerWaalsContact C-N 3.29Å; E697-S699 PolarHBondContact O-N 3.05Å
698	Q	36.1	Very low	39.5	Very low	135 Å²	135	86.8 Å²	86.8	63%	0.631	46%	0.458	S	S	*	.			trans	-74.6	78.4	172.6	-69.8	-173.4	-23.2	0	0	110.9	Q700	Q698-Q700 VanDerWaalsContact C-N 3.33Å; Q698-Q700 PolarHBondContact O-N 2.87Å
699	S	32.8	Very low	41	Very low	95 Å²	95	91.6 Å²	91.6	66%	0.664	48%	0.477	S	S	*	.			trans	-73.5	83.5	176.6	47.8	0	0	0	0	111.7	E697 R701	E697-S699 VanDerWaalsContact C-N 3.29Å; E697-S699 PolarHBondContact O-N 3.05Å; S699-R701 VanDerWaalsContact C-N 3.31Å; S699-R701 PolarHBondContact O-N 3.11Å
700	Q	33.8	Very low	43	Very low	134 Å²	134	94.2 Å²	94.2	63%	0.626	49%	0.488	S	S	*	.			trans	-69.1	76.2	179.3	-60.7	-173.6	18	0	0	112.6	Q698	Q698-Q700 VanDerWaalsContact C-N 3.33Å; Q698-Q700 PolarHBondContact O-N 2.87Å
701	R	34.3	Very low	45.4	Very low	193 Å²	193	92.2 Å²	92.2	73%	0.728	48%	0.475	S	S	*	.			trans	-84.4	121.4	170.9	-72.5	-170.6	174	-169.6	-1.7	111.5	S699 L703	S699-R701 VanDerWaalsContact C-N 3.31Å; S699-R701 PolarHBondContact O-N 3.11Å; R701-L703 PolarHBondContact O-N 2.72Å; R701-L703 VanDerWaalsContact O-N 3.12Å
702	T	33	Very low	47.6	Very low	120 Å²	120	92.4 Å²	92.4	74%	0.736	48%	0.48	S	S	*	.			trans	-67.3	97.3	160.4	23.2	0	0	0	0	109.1
703	L	40.2	Very low	50.1	Low	75 Å²	75	95.5 Å²	95.5	39%	0.393	49%	0.491	S	S	.	.			trans	-78.7	131	176.8	-70.8	160.2	0	0	0	110	V688 R701	V688-L703 HydrophobicContact CB-CD1 4.37Å; V688-L703 HydrophobicContact CG2-CD1 4.12Å; R701-L703 PolarHBondContact O-N 2.72Å; R701-L703 VanDerWaalsContact O-N 3.12Å
704	H	36.4	Very low	52.4	Low	171 Å²	171	100 Å²	100	79%	0.792	51%	0.514	S	S	*	.			trans	-68.6	153	177.9	-72.9	-31.4	0	0	0	112.3
705	C	41.9	Very low	54.9	Low	64 Å²	64	94.8 Å²	94.8	43%	0.432	49%	0.491	S	S	.	.	S	Bend	trans	-84.1	-16.7	-172	-67.8	0	0	0	0	114.6	F673 S707	F673-C705 HydrophobicContact CD1-CB 4.35Å; C705-S707 PolarHBondContact O-N 3.01Å
706	D	47.7	Very low	57.7	Low	86 Å²	86	93.1 Å²	93.1	46%	0.46	48%	0.477	S	S	.	.			trans	-75.7	19.6	179	-85.5	43.3	0	0	0	113.7	Y708 K709	D706-Y708 VanDerWaalsContact C-N 3.27Å; D706-Y708 PolarHBondContact O-N 2.92Å; D706-K709 HydrophobicContact CB-CD 4.38Å; D706-K709 PolarHBondContact O-N 3.06Å; D706-K709 IonicContact OD2-NZ 2.77Å; D706-K709 PolarHBondContact OD2-NZ 3.17Å
707	S	54.2	Low	60.6	Low	5 Å²	5	92.2 Å²	92.2	4%	0.035	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-45.1	-37.1	-166.5	-127.9	0	0	0	0	115.7	T573 C705 K709 D710	T573-S707 WeakPolarHBondContact CG2-O 3.08Å; T573-S707 PolarHBondContact N-OG 2.99Å; T573-S707 WeakPolarHBondContact OG1-CB 3.12Å; T573-S707 PolarHBondContact OG1-O 3.12Å; T573-S707 PolarHBondContact OG1-OG 2.89Å; C705-S707 PolarHBondContact O-N 3.01Å; S707-K709 PolarHBondContact O-N 3.13Å; S707-D710 PolarHBondContact O-N 2.87Å; S707-D710 VanDerWaalsContact O-OD2 3.1Å
708	Y	63.2	Low	63.6	Low	54 Å²	54	84.9 Å²	84.9	21%	0.212	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-64.4	-15.7	-173.9	76.8	-85.1	0	0	0	114.2	D706 D710	D706-Y708 VanDerWaalsContact C-N 3.27Å; D706-Y708 PolarHBondContact O-N 2.92Å; Y708-D710 VanDerWaalsContact C-N 3.33Å
709	K	69	Low	66.5	Low	116 Å²	116	78.5 Å²	78.5	50%	0.504	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-75.1	-19.8	174.7	-63.8	170.7	-173.5	167.5	0	113.2	D706 S707 L711	D706-K709 HydrophobicContact CB-CD 4.38Å; D706-K709 PolarHBondContact O-N 3.06Å; D706-K709 IonicContact OD2-NZ 2.77Å; D706-K709 PolarHBondContact OD2-NZ 3.17Å; S707-K709 PolarHBondContact O-N 3.13Å; K709-L711 VanDerWaalsContact C-N 3.32Å
710	D	79.8	Confident	69.5	Low	92 Å²	92	74 Å²	74	49%	0.492	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-77.9	-17.6	-179.5	-46.7	-46.5	0	0	0	112.8	T573 S707 Y708	T573-D710 HydrophobicContact CG2-CB 4.1Å; T573-D710 PolarHBondContact OG1-OD2 2.79Å; S707-D710 PolarHBondContact O-N 2.87Å; S707-D710 VanDerWaalsContact O-OD2 3.1Å; Y708-D710 VanDerWaalsContact C-N 3.33Å
711	L	88	Confident	72.5	Confident	2 Å²	2	71 Å²	71	1%	0.01	35%	0.35	C	S	.	.	S	Bend	trans	-137.9	77.5	171.3	-168.3	68.1	0	0	0	110.7	T573 Q580 L582 F601 D603 K709 A715 R716	T573-L711 HydrophobicContact CG2-CB 4.03Å; Q580-L711 HydrophobicContact CB-CD1 4.07Å; L582-L711 HydrophobicContact CB-CB 4.39Å; L582-L711 HydrophobicContact CB-CD2 3.71Å; F601-L711 HydrophobicContact CB-CD2 4.24Å; D603-L711 HydrophobicContact CB-CD1 3.86Å; K709-L711 VanDerWaalsContact C-N 3.32Å; L711-A715 HydrophobicContact CD1-CB 3.78Å; L711-R716 HydrophobicContact CD2-CG 3.95Å; L711-R716 HydrophobicContact CG-CG 3.84Å; L711-R716 PolarHBondContact O-NE 2.85Å; L711-R716 VanDerWaalsContact O-NE 3.15Å
712	P	88.7	Confident	75.5	Confident	55 Å²	55	61.9 Å²	61.9	36%	0.357	32%	0.316	S	S	.	.			trans	-65	163.7	-179.2	30.6	-36.9	0	0	0	111.8	D714 A715 R716	P712-D714 VanDerWaalsContact C-N 3.25Å; P712-D714 VanDerWaalsContact CB-OD1 3.31Å; P712-D714 WeakPolarHBondContact CB-OD1 3.47Å; P712-D714 WeakPolarHBondContact CG-OD1 3.47Å; P712-D714 PolarHBondContact O-N 2.94Å; P712-D714 VanDerWaalsContact O-N 3.17Å; P712-A715 HydrophobicContact CG-CB 3.99Å; P712-A715 PolarHBondContact O-N 3Å; P712-R716 WeakPolarHBondContact O-CG 3.49Å
713	R	91.3	Very high	78.5	Confident	75 Å²	75	58.6 Å²	58.6	28%	0.283	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.3	-166.6	-67	172.3	74.8	92.9	-7.6	113.5	L659 Y661 E666	L659-R713 HydrophobicContact CD1-CB 4Å; L659-R713 HydrophobicContact CD1-CG 4.15Å; Y661-R713 PolarHBondContact O-NH1 2.87Å; Y661-R713 PolarHBondContact O-NH2 2.88Å; E666-R713 IonicContact OE1-NH1 3.88Å; E666-R713 PolarHBondContact OE1-NH1 3.46Å; E666-R713 WeakPolarHBondContact OE2-CG 3.41Å; E666-R713 IonicContact OE2-CZ 2.91Å; E666-R713 IonicContact OE2-NH1 3.78Å; E666-R713 PolarHBondContact OE2-NH1 2.8Å
714	D	90.5	Very high	81.1	Confident	140 Å²	140	55.2 Å²	55.2	75%	0.749	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.1	176.7	61.2	-45.6	0	0	0	114	P712	P712-D714 VanDerWaalsContact C-N 3.25Å; P712-D714 VanDerWaalsContact CB-OD1 3.31Å; P712-D714 WeakPolarHBondContact CB-OD1 3.47Å; P712-D714 WeakPolarHBondContact CG-OD1 3.47Å; P712-D714 PolarHBondContact O-N 2.94Å; P712-D714 VanDerWaalsContact O-N 3.17Å
715	A	92.6	Very high	83.9	Confident	28 Å²	28	51.3 Å²	51.3	23%	0.231	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.2	178.1	0	0	0	0	0	113.8	D603 L711 P712 K717	D603-A715 WeakPolarHBondContact CA-O 3.39Å; L711-A715 HydrophobicContact CD1-CB 3.78Å; P712-A715 HydrophobicContact CG-CB 3.99Å; P712-A715 PolarHBondContact O-N 3Å; A715-K717 VanDerWaalsContact C-N 3.31Å; A715-K717 PolarHBondContact O-N 2.98Å
716	R	93.5	Very high	86.3	Confident	16 Å²	16	48.3 Å²	48.3	6%	0.06	24%	0.243	C	C	.	.			trans	-78.2	68	-175.7	-63.2	175	-159.6	171.1	10.3	112.4	F601 T602 E666 L711 P712 A718	F601-R716 HydrophobicContact CB-CB 4.04Å; F601-R716 HydrophobicContact CB-CG 3.89Å; F601-R716 HydrophobicContact CD1-CB 4.02Å; F601-R716 HydrophobicContact CD1-CG 4.47Å; F601-R716 HydrophobicContact CG-CB 4.27Å; F601-R716 HydrophobicContact CG-CG 4.26Å; T602-R716 CarbonylContact O-C 3.58Å; E666-R716 IonicContact OE1-CZ 3.45Å; E666-R716 IonicContact OE1-NH1 3.45Å; E666-R716 PolarHBondContact OE1-NH1 3.25Å; E666-R716 IonicContact OE1-NH2 3.28Å; E666-R716 IonicContact OE2-CZ 2.76Å; E666-R716 IonicContact OE2-NH1 2.68Å; E666-R716 PolarHBondContact OE2-NH1 2.92Å; E666-R716 IonicContact OE2-NH2 3.48Å; E666-R716 PolarHBondContact OE2-NH2 2.85Å; L711-R716 HydrophobicContact CD2-CG 3.95Å; L711-R716 HydrophobicContact CG-CG 3.84Å; L711-R716 PolarHBondContact O-NE 2.85Å; L711-R716 VanDerWaalsContact O-NE 3.15Å; P712-R716 WeakPolarHBondContact O-CG 3.49Å; R716-A718 VanDerWaalsContact C-N 3.25Å; R716-A718 PolarHBondContact O-N 3.43Å
717	K	93.3	Very high	88.2	Confident	127 Å²	127	46.2 Å²	46.2	55%	0.552	23%	0.234	S	C	*	.			trans	-58.4	-32.6	-174.1	-53.3	-159.6	-170	86.2	0	114.3	T602 D603 N656 A715	T602-K717 PolarHBondContact O-N 2.98Å; T602-K717 VanDerWaalsContact O-N 3.09Å; D603-K717 WeakPolarHBondContact O-CD 3.37Å; D603-K717 WeakPolarHBondContact O-CG 3.01Å; D603-K717 PolarHBondContact O-NZ 3Å; N656-K717 PolarHBondContact N-O 2.76Å; A715-K717 VanDerWaalsContact C-N 3.31Å; A715-K717 PolarHBondContact O-N 2.98Å
718	A	95.6	Very high	89.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.7	-179.8	0	0	0	0	0	111.9	F601 T602 P605 F653 T654 E655 R716	F601-A718 CarbonylContact C-O 3.54Å; F601-A718 WeakPolarHBondContact CA-O 3.49Å; T602-A718 HydrophobicContact CG2-CB 4.13Å; T602-A718 PolarHBondContact N-O 3.05Å; T602-A718 PolarHBondContact O-N 3.14Å; P605-A718 HydrophobicContact CB-CB 3.73Å; P605-A718 HydrophobicContact CG-CB 3.81Å; F653-A718 HydrophobicContact CB-CB 4.46Å; F653-A718 HydrophobicContact CD1-CB 4.29Å; T654-A718 CarbonylContact O-C 3.52Å; T654-A718 VanDerWaalsContact O-CA 3.28Å; T654-A718 WeakPolarHBondContact O-CA 3.31Å; T654-A718 WeakPolarHBondContact O-CB 3.39Å; E655-A718 HydrophobicContact CG-CB 4.48Å; R716-A718 VanDerWaalsContact C-N 3.25Å; R716-A718 PolarHBondContact O-N 3.43Å
719	G	96.6	Very high	90.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	174.8	174.3	0	0	0	0	0	114.5	L600 F653 T654	L600-G719 CarbonylContact O-C 3.42Å; L600-G719 WeakPolarHBondContact O-CA 3.4Å; F653-G719 VanDerWaalsContact CD1-CA 3.48Å; T654-G719 PolarHBondContact N-O 3.44Å; T654-G719 PolarHBondContact O-N 3.37Å
720	C	96.8	Very high	91.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.4	164.3	66.3	0	0	0	0	111.4	Y599 L600 V651 T652	Y599-C720 WeakPolarHBondContact CA-O 3.35Å; L600-C720 PolarHBondContact N-O 3.26Å; L600-C720 PolarHBondContact O-N 3.4Å; V651-C720 HydrophobicContact CG1-CB 3.93Å; T652-C720 WeakPolarHBondContact O-CB 3.31Å
721	H	97.1	Very high	91.6	Very high	70 Å²	70	47.1 Å²	47.1	32%	0.324	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.3	171.7	173.3	-147.7	0	0	0	108.9	N597 Y599 T723	N597-H721 PolarHBondContact OD1-NE2 3.45Å; Y599-H721 HydrophobicContact CD1-CB 3.75Å; Y599-H721 AromaticContact CD1-CD2 3.76Å; Y599-H721 AromaticContact CD1-CG 3.85Å; Y599-H721 HydrophobicContact CE1-CB 3.72Å; Y599-H721 AromaticContact CE1-CD2 3.26Å; Y599-H721 WeakPolarHBondContact CE1-CD2 3.41Å; Y599-H721 AromaticContact CE1-CG 3.36Å; Y599-H721 AromaticContact CE1-ND1 3.96Å; Y599-H721 AromaticContact CE1-NE2 3.85Å; Y599-H721 AromaticContact CZ-CD2 3.56Å; Y599-H721 AromaticContact CZ-NE2 3.76Å; H721-T723 PolarHBondContact CE1-OG1 2.91Å; H721-T723 PolarHBondContact NE2-OG1 3.33Å; H721-T723 VanDerWaalsContact NE2-OG1 3.15Å
722	L	96.8	Very high	91.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.3	178	-61.9	170.2	0	0	0	108.2	I598 L600 V611 A613 T648 V651 V747	I598-L722 HydrophobicContact CB-CB 4.23Å; I598-L722 PolarHBondContact N-O 2.84Å; I598-L722 PolarHBondContact O-N 2.94Å; L600-L722 HydrophobicContact CD1-CD1 4.01Å; V611-L722 HydrophobicContact CB-CD1 4.16Å; V611-L722 HydrophobicContact CG1-CD1 3.68Å; A613-L722 HydrophobicContact CB-CD1 4.16Å; T648-L722 HydrophobicContact CG2-CB 4.32Å; T648-L722 HydrophobicContact CG2-CD2 4.49Å; V651-L722 HydrophobicContact CB-CD2 3.78Å; V651-L722 HydrophobicContact CG2-CD2 3.61Å; L722-V747 HydrophobicContact CD1-CG1 4.37Å
723	T	96.2	Very high	91.1	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.319	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	173	-58.2	0	0	0	0	109.5	D595 I596 N597 T648 H721	D595-T723 HydrophobicContact CB-CG2 3.92Å; I596-T723 WeakPolarHBondContact O-CA 3.45Å; N597-T723 PolarHBondContact OD1-OG1 3.26Å; T648-T723 WeakPolarHBondContact CG2-O 3.49Å; H721-T723 PolarHBondContact CE1-OG1 2.91Å; H721-T723 PolarHBondContact NE2-OG1 3.33Å; H721-T723 VanDerWaalsContact NE2-OG1 3.15Å
724	L	94.7	Very high	90.6	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.8	166.5	-76.5	166.6	0	0	0	108.5	I596 I598 A613 L615 T648 I745	I596-L724 WeakPolarHBondContact CA-O 3.26Å; I596-L724 HydrophobicContact CB-CB 4.1Å; I596-L724 WeakPolarHBondContact CB-O 3.44Å; I596-L724 HydrophobicContact CD1-CB 4.14Å; I596-L724 PolarHBondContact N-O 2.79Å; I596-L724 PolarHBondContact O-N 2.98Å; I596-L724 VanDerWaalsContact O-N 3.11Å; I598-L724 HydrophobicContact CD1-CD1 4.31Å; A613-L724 HydrophobicContact CB-CD1 3.83Å; A613-L724 HydrophobicContact CB-CG 4.36Å; L615-L724 HydrophobicContact CB-CD1 4.35Å; T648-L724 HydrophobicContact CG2-CD2 3.6Å; T648-L724 HydrophobicContact CG2-CG 3.64Å; L724-I745 HydrophobicContact CD1-CG2 4.42Å
725	N	93.6	Very high	89.8	Confident	89 Å²	89	37.3 Å²	37.3	48%	0.476	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.3	177.2	-64.1	69.3	0	0	0	110	D595 P727	D595-N725 PolarHBondContact OD1-ND2 2.86Å; N725-P727 WeakPolarHBondContact O-CD 3.3Å
726	V	92.4	Very high	88.8	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-75.2	123.4	167.5	179.9	0	0	0	0	108.9	F590 Q591 A593 D594 I596 V764	F590-V726 HydrophobicContact CB-CG2 3.74Å; F590-V726 HydrophobicContact CG-CG2 4.36Å; Q591-V726 WeakPolarHBondContact O-CB 3.4Å; Q591-V726 WeakPolarHBondContact O-CG1 3.22Å; A593-V726 WeakPolarHBondContact CA-O 3.45Å; A593-V726 PolarHBondContact N-O 3.41Å; D594-V726 PolarHBondContact O-N 3.09Å; I596-V726 HydrophobicContact CD1-CG2 3.86Å; I596-V726 HydrophobicContact CG1-CG2 4.07Å; V726-V764 HydrophobicContact CG1-CG1 3.91Å; V726-V764 HydrophobicContact CG1-CG2 4.38Å
727	P	88.5	Confident	87.7	Confident	41 Å²	41	41.1 Å²	41.1	27%	0.266	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-59.2	149.3	179.5	-26.8	36	0	0	0	113.6	D645 N725 S730	D645-P727 HydrophobicContact CB-CG 3.96Å; D645-P727 VanDerWaalsContact O-CG 3.31Å; D645-P727 WeakPolarHBondContact O-CG 3.44Å; N725-P727 WeakPolarHBondContact O-CD 3.3Å; P727-S730 WeakPolarHBondContact O-CB 3.35Å; P727-S730 PolarHBondContact O-N 3.17Å
728	I	85.3	Confident	86.4	Confident	123 Å²	123	37.7 Å²	37.7	63%	0.631	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	143.2	167.3	-53.7	170.2	0	0	0	108.4	A593 S730	A593-I728 HydrophobicContact CB-CG1 4.29Å; I728-S730 VanDerWaalsContact C-N 3.32Å
729	N	81.7	Confident	85.4	Confident	136 Å²	136	37.7 Å²	37.7	73%	0.727	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	39.4	-166.7	-45.6	-77.8	0	0	0	112.9	E592	E592-N729 WeakPolarHBondContact OE1-CA 3.49Å; E592-N729 PolarHBondContact OE1-N 3.25Å; E592-N729 PolarHBondContact OE2-N 2.89Å
730	S	85.5	Confident	84.4	Confident	14 Å²	14	40.1 Å²	40.1	10%	0.098	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-61.3	153.6	169	76.3	0	0	0	0	110.3	E592 P727 I728 V764	E592-S730 WeakPolarHBondContact CG-OG 3.35Å; E592-S730 PolarHBondContact OE1-N 2.97Å; P727-S730 WeakPolarHBondContact O-CB 3.35Å; P727-S730 PolarHBondContact O-N 3.17Å; I728-S730 VanDerWaalsContact C-N 3.32Å; S730-V764 WeakPolarHBondContact OG-CG1 3.4Å
731	V	84.2	Confident	83.7	Confident	14 Å²	14	40.1 Å²	40.1	9%	0.085	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-96.2	127.3	176.9	-178.5	0	0	0	0	107.6	I505 L507 I741 Y743	I505-V731 HydrophobicContact CG1-CG1 4.47Å; I505-V731 HydrophobicContact CG2-CG1 4.23Å; L507-V731 HydrophobicContact CD1-CG1 4.23Å; L507-V731 HydrophobicContact CD2-CB 4.4Å; L507-V731 HydrophobicContact CD2-CG1 3.97Å; L507-V731 HydrophobicContact CD2-CG2 3.48Å; L507-V731 VanDerWaalsContact CD2-CG2 3.48Å; L507-V731 HydrophobicContact CG-CG1 4.5Å; V731-I741 HydrophobicContact CG1-CD1 3.72Å; V731-I741 HydrophobicContact CG1-CG2 4.39Å; V731-Y743 PolarHBondContact N-OH 2.94Å; V731-Y743 VanDerWaalsContact O-CE2 3.25Å; V731-Y743 WeakPolarHBondContact O-CE2 3.29Å; V731-Y743 PolarHBondContact O-OH 2.92Å
732	P	84.1	Confident	83	Confident	14 Å²	14	38.2 Å²	38.2	9%	0.091	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-57.8	143.5	177.5	21	-31.6	0	0	0	111.8	P503 I505 E766	P503-P732 HydrophobicContact CB-CB 4.43Å; P503-P732 HydrophobicContact CB-CG 4.39Å; P503-P732 HydrophobicContact CG-CB 4.14Å; P503-P732 HydrophobicContact CG-CG 4.33Å; I505-P732 HydrophobicContact CG1-CG 4.06Å; P732-E766 HydrophobicContact CB-CG 4.34Å; P732-E766 HydrophobicContact CG-CG 4.47Å
733	Q	83.2	Confident	82.6	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.037	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-56.4	148.2	174.2	67.6	173.3	-3.1	0	0	111.7	P503 I741 S763 V764 Y776	P503-Q733 WeakPolarHBondContact CG-O 3.32Å; Q733-I741 WeakPolarHBondContact CA-O 3.48Å; Q733-S763 VanDerWaalsContact CD-CB 3.43Å; Q733-S763 VanDerWaalsContact NE2-CB 3.31Å; Q733-S763 PolarHBondContact NE2-OG 2.86Å; Q733-S763 VanDerWaalsContact OE1-CA 3.24Å; Q733-S763 PolarHBondContact OE1-OG 3.2Å; Q733-V764 PolarHBondContact N-O 3.39Å; Q733-Y776 HydrophobicContact CG-CD1 4.41Å; Q733-Y776 HydrophobicContact CG-CE1 4.26Å
734	S	80.2	Confident	82.1	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	155.7	173.7	-168.8	0	0	0	0	113.4	I505 K740 I741 Y776	I505-S734 VanDerWaalsContact CD1-CB 3.48Å; S734-K740 CarbonylContact O-C 3.46Å; S734-K740 VanDerWaalsContact O-CA 3.24Å; S734-K740 WeakPolarHBondContact O-CA 3.26Å; S734-I741 PolarHBondContact N-O 2.84Å; S734-I741 PolarHBondContact O-N 3.45Å; S734-Y776 WeakPolarHBondContact CA-OH 3.45Å; S734-Y776 PolarHBondContact OG-OH 2.87Å; S734-Y776 VanDerWaalsContact OG-OH 3.1Å
735	C	73.9	Confident	81.8	Confident	40 Å²	40	36.7 Å²	36.7	27%	0.27	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	47.3	-177	-160.3	0	0	0	0	111	H502 E737 L739 K740	H502-C735 PolarHBondContact CE1-O 2.72Å; H502-C735 VanDerWaalsContact CE1-O 3.3Å; C735-E737 PolarHBondContact O-N 3.15Å; C735-E737 VanDerWaalsContact O-N 3.1Å; C735-L739 CarbonylContact C-O 3.51Å; C735-K740 VanDerWaalsContact SG-CE 3.59Å
736	L	71.8	Confident	81.5	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	87	178.9	178.9	83.7	0	0	0	110.2	M414 T416 H502 S738 L739	M414-L736 HydrophobicContact SD-CD1 4.13Å; T416-L736 HydrophobicContact CG2-CD2 3.41Å; T416-L736 VanDerWaalsContact CG2-CD2 3.41Å; T416-L736 WeakPolarHBondContact OG1-CD2 3.29Å; H502-L736 WeakPolarHBondContact CD2-CD1 3.42Å; L736-S738 PolarHBondContact O-N 2.92Å; L736-L739 CarbonylContact C-O 3.53Å; L736-L739 HydrophobicContact CB-CB 4.45Å; L736-L739 HydrophobicContact CD2-CD2 4.22Å; L736-L739 PolarHBondContact N-O 3.13Å; L736-L739 PolarHBondContact O-N 3.37Å
737	E	70.1	Confident	81.4	Confident	119 Å²	119	32.5 Å²	32.5	56%	0.556	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-97.9	174.8	-59.1	174	140.7	0	0	113.6	K429 C735 K740	K429-E737 IonicContact NZ-OE1 3.24Å; K429-E737 PolarHBondContact NZ-OE1 2.9Å; K429-E737 IonicContact NZ-OE2 3.49Å; K429-E737 PolarHBondContact NZ-OE2 2.69Å; C735-E737 PolarHBondContact O-N 3.15Å; C735-E737 VanDerWaalsContact O-N 3.1Å; E737-K740 VanDerWaalsContact O-CE 3.29Å; E737-K740 WeakPolarHBondContact O-CE 3.49Å
738	S	66.9	Low	81.4	Confident	54 Å²	54	30.6 Å²	30.6	38%	0.378	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.8	179.6	62.8	0	0	0	0	113.6	P622 L736	P622-S738 WeakPolarHBondContact CG-OG 3.35Å; L736-S738 PolarHBondContact O-N 2.92Å
739	L	74.2	Confident	81.7	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.1	174.2	170.8	63.7	0	0	0	109.6	I519 H620 I621 C735 L736	I519-L739 HydrophobicContact CD1-CD1 3.59Å; I519-L739 HydrophobicContact CG1-CD1 4.21Å; I519-L739 HydrophobicContact CG2-CD1 4.47Å; I519-L739 HydrophobicContact CG2-CD2 3.66Å; H620-L739 CarbonylContact O-C 3.51Å; H620-L739 WeakPolarHBondContact O-CA 3.46Å; I621-L739 HydrophobicContact CG1-CD1 4.05Å; I621-L739 HydrophobicContact CG2-CD1 4.23Å; C735-L739 CarbonylContact C-O 3.51Å; L736-L739 CarbonylContact C-O 3.53Å; L736-L739 HydrophobicContact CB-CB 4.45Å; L736-L739 HydrophobicContact CD2-CD2 4.22Å; L736-L739 PolarHBondContact N-O 3.13Å; L736-L739 PolarHBondContact O-N 3.37Å
740	K	76.4	Confident	82.1	Confident	50 Å²	50	19.3 Å²	19.3	22%	0.217	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	173.1	-42.5	-172.3	174.8	-169.7	0	111.2	H620 S734 C735 E737 T742	H620-K740 HydrophobicContact CB-CB 3.93Å; H620-K740 HydrophobicContact CB-CG 4.33Å; H620-K740 PolarHBondContact N-O 3.19Å; H620-K740 PolarHBondContact O-N 2.84Å; S734-K740 CarbonylContact O-C 3.46Å; S734-K740 VanDerWaalsContact O-CA 3.24Å; S734-K740 WeakPolarHBondContact O-CA 3.26Å; C735-K740 VanDerWaalsContact SG-CE 3.59Å; E737-K740 VanDerWaalsContact O-CE 3.29Å; E737-K740 WeakPolarHBondContact O-CE 3.49Å; K740-T742 HydrophobicContact CB-CG2 4.32Å
741	I	81.7	Confident	82.3	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.6	172.3	-54.1	-178.6	0	0	0	105.6	I505 L507 R617 F619 V731 Q733 S734	I505-I741 HydrophobicContact CD1-CD1 3.96Å; I505-I741 HydrophobicContact CG2-CD1 4.15Å; L507-I741 HydrophobicContact CD1-CD1 3.91Å; R617-I741 HydrophobicContact CG-CG2 4.45Å; F619-I741 HydrophobicContact CD1-CD1 4.21Å; F619-I741 HydrophobicContact CD1-CG1 3.93Å; F619-I741 HydrophobicContact CD1-CG2 4.41Å; F619-I741 HydrophobicContact CE1-CD1 3.9Å; F619-I741 HydrophobicContact CE1-CG1 4.05Å; F619-I741 HydrophobicContact CE1-CG2 4.1Å; V731-I741 HydrophobicContact CG1-CD1 3.72Å; V731-I741 HydrophobicContact CG1-CG2 4.39Å; Q733-I741 WeakPolarHBondContact CA-O 3.48Å; S734-I741 PolarHBondContact N-O 2.84Å; S734-I741 PolarHBondContact O-N 3.45Å
742	T	82.8	Confident	82.3	Confident	30 Å²	30	24.9 Å²	24.9	18%	0.184	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	-173.1	54.3	0	0	0	0	110.3	I618 H620 K740	I618-T742 PolarHBondContact N-O 3.16Å; I618-T742 PolarHBondContact O-N 3.14Å; H620-T742 PolarHBondContact NE2-OG1 3.44Å; K740-T742 HydrophobicContact CB-CG2 4.32Å
743	Y	87	Confident	82.3	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.3	175.6	-79.8	-96.2	0	0	0	110.2	L615 L616 R617 D645 V731 P761 I762 V764	L615-Y743 HydrophobicContact CD1-CD1 3.89Å; L615-Y743 HydrophobicContact CG-CD1 4.23Å; L616-Y743 CarbonylContact O-C 3.59Å; L616-Y743 WeakPolarHBondContact O-CA 3.49Å; R617-Y743 HydrophobicContact CB-CD1 4.07Å; R617-Y743 HydrophobicContact CB-CE1 3.79Å; R617-Y743 WeakPolarHBondContact CD-OH 3.43Å; R617-Y743 HydrophobicContact CG-CE1 4.33Å; R617-Y743 HydrophobicContact CG-CE2 4.4Å; D645-Y743 VanDerWaalsContact OD2-CE1 3.26Å; D645-Y743 WeakPolarHBondContact OD2-CE1 3.46Å; D645-Y743 PolarHBondContact OD2-OH 3.09Å; V731-Y743 PolarHBondContact N-OH 2.94Å; V731-Y743 VanDerWaalsContact O-CE2 3.25Å; V731-Y743 WeakPolarHBondContact O-CE2 3.29Å; V731-Y743 PolarHBondContact O-OH 2.92Å; Y743-P761 WeakPolarHBondContact O-CA 3.23Å; Y743-I762 WeakPolarHBondContact CB-O 3.43Å; Y743-I762 PolarHBondContact O-N 2.68Å; Y743-V764 HydrophobicContact CD1-CG2 3.83Å; Y743-V764 HydrophobicContact CD2-CB 3.95Å; Y743-V764 HydrophobicContact CD2-CG2 3.68Å; Y743-V764 HydrophobicContact CE1-CG2 3.96Å; Y743-V764 HydrophobicContact CE2-CB 3.86Å; Y743-V764 HydrophobicContact CE2-CG2 3.85Å; Y743-V764 HydrophobicContact CG-CB 4.44Å; Y743-V764 HydrophobicContact CG-CG2 3.65Å
744	Y	86.7	Confident	82.3	Confident	23 Å²	23	39.3 Å²	39.3	9%	0.09	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.7	175.8	-73	-94.2	0	0	0	110.4	L616 I618 D628 L632 F686 L760 P761	L616-Y744 WeakPolarHBondContact CB-O 3.37Å; L616-Y744 PolarHBondContact N-O 3.49Å; L616-Y744 PolarHBondContact O-N 3.13Å; I618-Y744 HydrophobicContact CD1-CD2 3.5Å; I618-Y744 VanDerWaalsContact CD1-CD2 3.5Å; I618-Y744 HydrophobicContact CD1-CE2 3.75Å; I618-Y744 HydrophobicContact CD1-CG 4.45Å; I618-Y744 HydrophobicContact CG1-CD2 4.25Å; D628-Y744 PolarHBondContact OD2-OH 2.9Å; L632-Y744 HydrophobicContact CD1-CE1 4.36Å; L632-Y744 HydrophobicContact CD2-CD1 4.39Å; L632-Y744 HydrophobicContact CD2-CG 4.25Å; F686-Y744 HydrophobicContact CE2-CE1 4.11Å; Y744-L760 CarbonylContact C-O 3.56Å; Y744-L760 VanDerWaalsContact CA-O 3.25Å; Y744-L760 WeakPolarHBondContact CA-O 3.39Å; Y744-P761 HydrophobicContact CD1-CB 4.1Å; Y744-P761 HydrophobicContact CE1-CB 3.78Å; Y744-P761 HydrophobicContact CE1-CG 4.33Å
745	I	88.4	Confident	82.4	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.8	157.9	-61.2	169.1	0	0	0	106.9	V585 I596 I598 Y614 L724 V747 S759 L760 I762	V585-I745 HydrophobicContact CG1-CD1 4.16Å; I596-I745 HydrophobicContact CG2-CD1 3.47Å; I596-I745 VanDerWaalsContact CG2-CD1 3.47Å; I596-I745 HydrophobicContact CG2-CG1 4.18Å; I598-I745 HydrophobicContact CD1-CD1 4.28Å; I598-I745 HydrophobicContact CD1-CG2 3.55Å; I598-I745 HydrophobicContact CG1-CD1 4.46Å; Y614-I745 CarbonylContact O-C 3.59Å; Y614-I745 WeakPolarHBondContact O-CA 3.4Å; L724-I745 HydrophobicContact CD1-CG2 4.42Å; I745-V747 HydrophobicContact CG2-CG2 4.03Å; I745-S759 CarbonylContact O-C 3.35Å; I745-S759 VanDerWaalsContact O-CA 3.28Å; I745-S759 WeakPolarHBondContact O-CA 3.26Å; I745-L760 HydrophobicContact CB-CB 4.45Å; I745-L760 HydrophobicContact CD1-CD2 4.42Å; I745-L760 PolarHBondContact N-O 3.44Å; I745-L760 PolarHBondContact O-N 3.35Å; I745-I762 HydrophobicContact CD1-CD1 4.33Å; I745-I762 HydrophobicContact CD1-CG2 3.58Å; I745-I762 HydrophobicContact CG1-CD1 3.96Å; I745-I762 HydrophobicContact CG1-CG1 4.32Å; I745-I762 HydrophobicContact CG1-CG2 3.89Å
746	R	86.7	Confident	82.8	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	107	168	-174.5	-169.7	-166.5	142.2	22	110.4	A613 Y614 L616 L632 Y638 L748	A613-R746 CarbonylContact C-O 3.6Å; A613-R746 VanDerWaalsContact CA-O 3.29Å; A613-R746 WeakPolarHBondContact CA-O 3.31Å; Y614-R746 PolarHBondContact N-O 3.12Å; Y614-R746 PolarHBondContact O-N 2.91Å; L616-R746 HydrophobicContact CD1-CB 3.9Å; L616-R746 HydrophobicContact CG-CB 4.31Å; L632-R746 PolarHBondContact O-NH1 2.92Å; L632-R746 PolarHBondContact O-NH2 2.91Å; Y638-R746 WeakPolarHBondContact OH-CD 3.45Å; Y638-R746 PolarHBondContact OH-NH1 2.92Å; R746-L748 HydrophobicContact CG-CD2 4.24Å
747	V	89.7	Confident	83.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.2	170.5	-177.7	0	0	0	0	109.3	I583 I598 L600 V611 A613 L722 I745 I749 A757 Y758	I583-V747 HydrophobicContact CD1-CG2 4.1Å; I598-V747 HydrophobicContact CD1-CG2 4.34Å; I598-V747 HydrophobicContact CG2-CG2 4.28Å; L600-V747 HydrophobicContact CD1-CG1 3.9Å; V611-V747 HydrophobicContact CG1-CG1 3.44Å; V611-V747 VanDerWaalsContact CG1-CG1 3.44Å; A613-V747 HydrophobicContact CB-CG2 4.16Å; L722-V747 HydrophobicContact CD1-CG1 4.37Å; I745-V747 HydrophobicContact CG2-CG2 4.03Å; V747-I749 HydrophobicContact CG1-CG1 4.08Å; V747-A757 WeakPolarHBondContact O-CA 3.48Å; V747-Y758 PolarHBondContact N-O 3.2Å; V747-Y758 PolarHBondContact O-N 3.29Å
748	L	89.7	Confident	83.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.1	172.1	-64.3	-171.9	0	0	0	110.2	V611 E612 Y614 L635 L693 R746 H750 V755 M756 A757	V611-L748 WeakPolarHBondContact CA-O 3.36Å; V611-L748 VanDerWaalsContact CG1-O 3.3Å; V611-L748 WeakPolarHBondContact CG1-O 3.37Å; E612-L748 HydrophobicContact CG-CB 4.17Å; E612-L748 PolarHBondContact N-O 2.82Å; E612-L748 VanDerWaalsContact N-O 3.12Å; E612-L748 PolarHBondContact O-N 3.29Å; Y614-L748 HydrophobicContact CD2-CD1 4.46Å; Y614-L748 HydrophobicContact CD2-CG 4.48Å; Y614-L748 HydrophobicContact CE2-CD1 3.71Å; Y614-L748 HydrophobicContact CE2-CG 4.13Å; L635-L748 HydrophobicContact CD1-CD1 4.11Å; L635-L748 HydrophobicContact CD2-CD1 3.78Å; L635-L748 HydrophobicContact CG-CD1 4.03Å; L693-L748 HydrophobicContact CD1-CD2 4.37Å; R746-L748 HydrophobicContact CG-CD2 4.24Å; L748-H750 PolarHBondContact O-CD2 3.49Å; L748-V755 HydrophobicContact CB-CG1 4.48Å; L748-M756 WeakPolarHBondContact CA-O 3.41Å; L748-A757 HydrophobicContact CD2-CB 3.71Å
749	I	90.6	Very high	84.4	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.1	178.7	-53	167.5	0	0	0	108.1	F574 M576 L600 I608 V611 V747 V755 M756	F574-I749 HydrophobicContact CE2-CD1 3.75Å; F574-I749 HydrophobicContact CZ-CD1 3.57Å; M576-I749 HydrophobicContact CE-CB 4.37Å; M576-I749 HydrophobicContact CE-CG2 3.9Å; M576-I749 HydrophobicContact SD-CB 3.87Å; M576-I749 HydrophobicContact SD-CG2 3.43Å; M576-I749 WeakPolarHBondContact SD-CG2 3.39Å; L600-I749 HydrophobicContact CD2-CD1 4.27Å; I608-I749 HydrophobicContact CG2-CG2 3.94Å; V611-I749 HydrophobicContact CG1-CG1 3.94Å; V611-I749 HydrophobicContact CG2-CG1 4.35Å; V611-I749 HydrophobicContact CG2-CG2 4.31Å; V747-I749 HydrophobicContact CG1-CG1 4.08Å; I749-V755 WeakPolarHBondContact O-CA 3.49Å; I749-M756 PolarHBondContact N-O 3.23Å; I749-M756 PolarHBondContact O-N 3.48Å
750	H	91.2	Very high	84.7	Confident	22 Å²	22	31.7 Å²	31.7	10%	0.102	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	96.2	-175.3	-67.6	-103	0	0	0	110.7	R609 Y610 E612 L748 V755	R609-H750 WeakPolarHBondContact CB-O 3.46Å; R609-H750 PolarHBondContact N-O 2.87Å; Y610-H750 HydrophobicContact CD1-CB 4.35Å; Y610-H750 HydrophobicContact CD2-CB 4.35Å; Y610-H750 AromaticContact CD2-CD2 3.67Å; Y610-H750 HydrophobicContact CE1-CB 4.09Å; Y610-H750 HydrophobicContact CE2-CB 4.13Å; Y610-H750 AromaticContact CE2-CD2 3.18Å; Y610-H750 WeakPolarHBondContact CE2-CD2 3.32Å; Y610-H750 AromaticContact CE2-CE1 3.94Å; Y610-H750 AromaticContact CE2-CG 3.58Å; Y610-H750 AromaticContact CE2-NE2 3.44Å; Y610-H750 WeakPolarHBondContact CE2-NE2 3.5Å; Y610-H750 HydrophobicContact CG-CB 4.46Å; Y610-H750 AromaticContact CZ-CD2 3.73Å; Y610-H750 AromaticContact CZ-CE1 3.98Å; Y610-H750 AromaticContact CZ-CG 3.61Å; Y610-H750 AromaticContact CZ-ND1 3.8Å; Y610-H750 AromaticContact CZ-NE2 3.94Å; Y610-H750 WeakPolarHBondContact O-CB 3.26Å; Y610-H750 PolarHBondContact O-N 2.87Å; Y610-H750 PolarHBondContact OH-ND1 2.96Å; E612-H750 IonicContact OE1-CD2 3.93Å; E612-H750 IonicContact OE1-CE1 3.21Å; E612-H750 PolarHBondContact OE1-CE1 2.86Å; E612-H750 IonicContact OE1-NE2 3.75Å; E612-H750 PolarHBondContact OE1-NE2 2.76Å; L748-H750 PolarHBondContact O-CD2 3.49Å; H750-V755 WeakPolarHBondContact ND1-CG2 3.32Å
751	G	88.1	Confident	84.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	175.9	170.2	0	0	0	0	0	112.7	G607 R609 K754	G607-G751 CarbonylContact O-C 3.45Å; G607-G751 WeakPolarHBondContact O-CA 2.91Å; R609-G751 VanDerWaalsContact CZ-O 3.27Å; R609-G751 PolarHBondContact NE-O 3.45Å; R609-G751 PolarHBondContact NH2-O 3.45Å; G751-K754 VanDerWaalsContact CA-O 3.27Å; G751-K754 WeakPolarHBondContact CA-O 3.47Å; G751-K754 PolarHBondContact N-O 2.68Å
752	K	85.3	Confident	84.9	Confident	144 Å²	144	30 Å²	30	63%	0.626	13%	0.133	S	C	*	.	S	Bend	trans	-64.7	-38.4	172.2	-82.9	174.5	-176.1	169.6	0	111.9	G607 R609	G607-K752 WeakPolarHBondContact O-CG 3.46Å; G607-K752 PolarHBondContact O-N 3.45Å; R609-K752 HydrophobicContact CG-CG 4.49Å; R609-K752 PolarHBondContact NH2-O 3.5Å
753	R	83.7	Confident	85	Confident	223 Å²	223	28.6 Å²	28.6	84%	0.842	12%	0.124	S	C	*	.	S	Bend	trans	-109.4	-38.2	-175.3	-60.9	178.5	179.6	169.3	0.3	113.5	E577	E577-R753 WeakPolarHBondContact OE1-CB 3.47Å; E577-R753 PolarHBondContact OE1-N 3.24Å
754	K	82.5	Confident	85.1	Confident	102 Å²	102	28.6 Å²	28.6	44%	0.443	12%	0.124	S	C	.	.			trans	-122	154.2	-179.9	-63.9	-173.2	176.1	-171.2	0	112.7	E577 G751	E577-K754 PolarHBondContact OE1-N 3.36Å; G751-K754 VanDerWaalsContact CA-O 3.27Å; G751-K754 WeakPolarHBondContact CA-O 3.47Å; G751-K754 PolarHBondContact N-O 2.68Å
755	V	83.3	Confident	85.1	Confident	31 Å²	31	27.6 Å²	27.6	19%	0.188	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.8	162	-173.7	0	0	0	0	107.3	L693 L748 I749 H750	L693-V755 HydrophobicContact CD1-CB 4.03Å; L693-V755 HydrophobicContact CD1-CG1 3.8Å; L693-V755 PolarHBondContact N-O 2.83Å; L748-V755 HydrophobicContact CB-CG1 4.48Å; I749-V755 WeakPolarHBondContact O-CA 3.49Å; H750-V755 WeakPolarHBondContact ND1-CG2 3.32Å
756	M	82.5	Confident	85.1	Confident	17 Å²	17	29.9 Å²	29.9	8%	0.084	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.1	174	-69.8	-100	-71.4	0	0	109.1	F574 T575 M576 C690 L748 I749	F574-M756 HydrophobicContact CD2-CE 4.03Å; F574-M756 HydrophobicContact CE2-CE 4.36Å; T575-M756 WeakPolarHBondContact O-CE 3.34Å; M576-M756 HydrophobicContact CB-CE 4.07Å; M576-M756 HydrophobicContact CE-CB 4.43Å; M576-M756 HydrophobicContact CE-CG 3.98Å; M576-M756 HydrophobicContact CG-CE 4.35Å; M576-M756 HydrophobicContact CG-CG 3.91Å; M576-M756 HydrophobicContact SD-CB 4.07Å; M576-M756 HydrophobicContact SD-CG 3.73Å; C690-M756 HydrophobicContact CB-CE 4.37Å; L748-M756 WeakPolarHBondContact CA-O 3.41Å; I749-M756 PolarHBondContact N-O 3.23Å; I749-M756 PolarHBondContact O-N 3.48Å
757	A	81.4	Confident	85.1	Confident	6 Å²	6	33 Å²	33	5%	0.05	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.6	168.2	0	0	0	0	0	110.3	L693 V747 L748	L693-A757 HydrophobicContact CD1-CB 4.17Å; L693-A757 HydrophobicContact CG-CB 4.47Å; V747-A757 WeakPolarHBondContact O-CA 3.48Å; L748-A757 HydrophobicContact CD2-CB 3.71Å
758	Y	80.3	Confident	84.8	Confident	5 Å²	5	35 Å²	35	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.9	165.5	-176.4	-78.3	0	0	0	107.3	F574 I583 V688 V747 L760	F574-Y758 HydrophobicContact CD1-CD2 4.43Å; F574-Y758 HydrophobicContact CE1-CD2 4.34Å; I583-Y758 HydrophobicContact CD1-CD1 3.73Å; I583-Y758 HydrophobicContact CD1-CE1 3.78Å; I583-Y758 HydrophobicContact CD1-CG 4.33Å; I583-Y758 HydrophobicContact CG2-CD2 4.38Å; I583-Y758 HydrophobicContact CG2-CE1 4.12Å; I583-Y758 HydrophobicContact CG2-CE2 3.81Å; V688-Y758 HydrophobicContact CB-CE2 4.26Å; V688-Y758 HydrophobicContact CG1-CD2 3.32Å; V688-Y758 HydrophobicContact CG1-CE2 3.46Å; V688-Y758 VanDerWaalsContact CG1-CE2 3.46Å; V688-Y758 HydrophobicContact CG1-CG 4.22Å; V688-Y758 HydrophobicContact CG2-CD2 4.43Å; V688-Y758 HydrophobicContact CG2-CE2 3.71Å; V747-Y758 PolarHBondContact N-O 3.2Å; V747-Y758 PolarHBondContact O-N 3.29Å; Y758-L760 HydrophobicContact CD1-CB 4.48Å; Y758-L760 HydrophobicContact CE1-CB 3.95Å
759	S	79.9	Confident	84.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	153.8	172	-60.9	0	0	0	0	109.9	F686 I745	F686-S759 WeakPolarHBondContact CE1-O 3.19Å; I745-S759 CarbonylContact O-C 3.35Å; I745-S759 VanDerWaalsContact O-CA 3.28Å; I745-S759 WeakPolarHBondContact O-CA 3.26Å
760	L	79.8	Confident	83	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	124.5	177.6	178	68.8	0	0	0	110.1	I570 V585 L588 Y744 I745 Y758	I570-L760 HydrophobicContact CD1-CD1 3.37Å; I570-L760 HydrophobicContact CD1-CD2 4.02Å; I570-L760 HydrophobicContact CD1-CG 4.3Å; V585-L760 HydrophobicContact CB-CD2 4.34Å; V585-L760 HydrophobicContact CG1-CD2 4.43Å; V585-L760 HydrophobicContact CG2-CD2 3.79Å; L588-L760 HydrophobicContact CD2-CD1 4.42Å; L588-L760 HydrophobicContact CD2-CD2 3.89Å; L588-L760 HydrophobicContact CD2-CG 4.26Å; Y744-L760 CarbonylContact C-O 3.56Å; Y744-L760 VanDerWaalsContact CA-O 3.25Å; Y744-L760 WeakPolarHBondContact CA-O 3.39Å; I745-L760 HydrophobicContact CB-CB 4.45Å; I745-L760 HydrophobicContact CD1-CD2 4.42Å; I745-L760 PolarHBondContact N-O 3.44Å; I745-L760 PolarHBondContact O-N 3.35Å; Y758-L760 HydrophobicContact CD1-CB 4.48Å; Y758-L760 HydrophobicContact CE1-CB 3.95Å
761	P	79.7	Confident	81.6	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.3	172.6	27.6	-34.8	0	0	0	110.5	Y683 F686 Y743 Y744	Y683-P761 HydrophobicContact CD1-CG 4.16Å; Y683-P761 HydrophobicContact CE1-CG 4.21Å; Y683-P761 WeakPolarHBondContact CE1-O 3.33Å; F686-P761 VanDerWaalsContact CD2-CD 3.46Å; F686-P761 HydrophobicContact CD2-CG 3.91Å; F686-P761 HydrophobicContact CE2-CG 4.34Å; F686-P761 HydrophobicContact CG-CG 4.43Å; Y743-P761 WeakPolarHBondContact O-CA 3.23Å; Y744-P761 HydrophobicContact CD1-CB 4.1Å; Y744-P761 HydrophobicContact CE1-CB 3.78Å; Y744-P761 HydrophobicContact CE1-CG 4.33Å
762	I	84.6	Confident	80.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.6	168.6	63	164.2	0	0	0	110.4	L588 F590 I596 L615 Y743 I745	L588-I762 HydrophobicContact CD2-CG2 4.19Å; F590-I762 HydrophobicContact CD2-CB 4.32Å; F590-I762 HydrophobicContact CD2-CD1 3.78Å; F590-I762 HydrophobicContact CE2-CB 4.23Å; F590-I762 HydrophobicContact CE2-CD1 3.96Å; F590-I762 HydrophobicContact CE2-CG2 4.1Å; I596-I762 HydrophobicContact CD1-CD1 3.85Å; L615-I762 HydrophobicContact CD1-CD1 3.78Å; Y743-I762 WeakPolarHBondContact CB-O 3.43Å; Y743-I762 PolarHBondContact O-N 2.68Å; I745-I762 HydrophobicContact CD1-CD1 4.33Å; I745-I762 HydrophobicContact CD1-CG2 3.58Å; I745-I762 HydrophobicContact CG1-CD1 3.96Å; I745-I762 HydrophobicContact CG1-CG1 4.32Å; I745-I762 HydrophobicContact CG1-CG2 3.89Å
763	S	84.7	Confident	78.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.6	176.4	-67.3	0	0	0	0	110.8	L588 I589 F590 Y683 Q733	L588-S763 PolarHBondContact O-N 3.07Å; I589-S763 WeakPolarHBondContact CA-O 3.3Å; F590-S763 PolarHBondContact N-O 3.04Å; Y683-S763 PolarHBondContact OH-OG 3.09Å; Q733-S763 VanDerWaalsContact CD-CB 3.43Å; Q733-S763 VanDerWaalsContact NE2-CB 3.31Å; Q733-S763 PolarHBondContact NE2-OG 2.86Å; Q733-S763 VanDerWaalsContact OE1-CA 3.24Å; Q733-S763 PolarHBondContact OE1-OG 3.2Å
764	V	88.5	Confident	77.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.6	165.9	-176.3	0	0	0	0	108.1	F590 V726 S730 Q733 Y743	F590-V764 CarbonylContact O-C 3.55Å; F590-V764 WeakPolarHBondContact O-CA 3.38Å; V726-V764 HydrophobicContact CG1-CG1 3.91Å; V726-V764 HydrophobicContact CG1-CG2 4.38Å; S730-V764 WeakPolarHBondContact OG-CG1 3.4Å; Q733-V764 PolarHBondContact N-O 3.39Å; Y743-V764 HydrophobicContact CD1-CG2 3.83Å; Y743-V764 HydrophobicContact CD2-CB 3.95Å; Y743-V764 HydrophobicContact CD2-CG2 3.68Å; Y743-V764 HydrophobicContact CE1-CG2 3.96Å; Y743-V764 HydrophobicContact CE2-CB 3.86Å; Y743-V764 HydrophobicContact CE2-CG2 3.85Å; Y743-V764 HydrophobicContact CG-CB 4.44Å; Y743-V764 HydrophobicContact CG-CG2 3.65Å
765	V	87.6	Confident	75.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	19%	0.193	C	C	.	.			trans	-132.2	158.8	-171.6	-55.2	0	0	0	0	110.3	I589 F590 Q591	I589-V765 HydrophobicContact CG2-CB 4.45Å; I589-V765 HydrophobicContact CG2-CG1 3.93Å; I589-V765 HydrophobicContact CG2-CG2 3.61Å; F590-V765 PolarHBondContact O-N 2.91Å; Q591-V765 WeakPolarHBondContact CA-O 3.33Å; Q591-V765 HydrophobicContact CG-CG2 4.22Å; Q591-V765 WeakPolarHBondContact CG-O 3.34Å
766	E	88.4	Confident	73.6	Confident	49 Å²	49	41.4 Å²	41.4	23%	0.229	19%	0.186	C	C	.	.	S	Bend	trans	-88.9	-33.4	-179	-63.6	170.9	88.4	0	0	111.6	K550 L552 S553 Q591 P732	K550-E766 WeakPolarHBondContact CE-OE1 3.46Å; K550-E766 IonicContact NZ-OE1 3.84Å; K550-E766 PolarHBondContact NZ-OE1 2.83Å; L552-E766 WeakPolarHBondContact CA-OE2 3.46Å; L552-E766 HydrophobicContact CD2-CB 4.47Å; L552-E766 WeakPolarHBondContact CD2-OE1 3.46Å; S553-E766 PolarHBondContact N-OE2 2.85Å; S553-E766 PolarHBondContact O-N 2.89Å; Q591-E766 PolarHBondContact NE2-O 2.89Å; P732-E766 HydrophobicContact CB-CG 4.34Å; P732-E766 HydrophobicContact CG-CG 4.47Å
767	Q	85.4	Confident	71.6	Confident	70 Å²	70	42 Å²	42	33%	0.327	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.8	-173.1	-177.1	58.8	55	0	0	111.6	V386 V465 S553 C554 G555	V386-Q767 HydrophobicContact CG1-CB 4.47Å; V386-Q767 HydrophobicContact CG1-CG 4.38Å; V465-Q767 HydrophobicContact CG1-CG 3.97Å; S553-Q767 PolarHBondContact O-N 2.91Å; C554-Q767 VanDerWaalsContact CA-O 3.26Å; C554-Q767 WeakPolarHBondContact CA-O 3.38Å; C554-Q767 PolarHBondContact SG-O 2.76Å; G555-Q767 PolarHBondContact N-O 3.41Å
768	R	83	Confident	69.5	Low	41 Å²	41	44.1 Å²	44.1	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.8	167.2	-70.8	172.3	171.1	125.8	-12.9	111	G555 N587 I589 Q591 D594	G555-R768 CarbonylContact O-C 3.53Å; G555-R768 VanDerWaalsContact O-CA 3.26Å; G555-R768 WeakPolarHBondContact O-CA 3.45Å; N587-R768 PolarHBondContact ND2-NH2 2.97Å; I589-R768 PolarHBondContact O-NH2 3.01Å; Q591-R768 HydrophobicContact CG-CG 4.35Å; Q591-R768 VanDerWaalsContact OE1-CD 3.26Å; D594-R768 IonicContact OD1-NH1 3.23Å; D594-R768 PolarHBondContact OD1-NH1 2.71Å; D594-R768 IonicContact OD2-CZ 3.56Å; D594-R768 IonicContact OD2-NH1 2.69Å; D594-R768 PolarHBondContact OD2-NH1 2.9Å; D594-R768 IonicContact OD2-NH2 2.73Å; D594-R768 PolarHBondContact OD2-NH2 3.42Å
769	S	76.3	Confident	67.3	Low	16 Å²	16	51 Å²	51	11%	0.112	24%	0.243	C	C	.	.			trans	-142.9	138.2	173.4	-170.8	0	0	0	0	111.9	V465 G555 P556 P557 D771 Y772	V465-S769 PolarHBondContact O-OG 2.82Å; G555-S769 PolarHBondContact O-N 3.13Å; P556-S769 WeakPolarHBondContact CA-O 3.27Å; P557-S769 WeakPolarHBondContact CD-O 3.18Å; S769-D771 VanDerWaalsContact C-N 3.31Å; S769-D771 PolarHBondContact O-N 2.92Å; S769-Y772 PolarHBondContact O-N 3.47Å
770	K	67.3	Low	65.1	Low	178 Å²	178	51.2 Å²	51.2	77%	0.774	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-37.5	-171.1	-80.9	-170.9	172.5	-167.5	0	113.9	P557	P557-K770 HydrophobicContact CG-CG 4.07Å
771	D	61.5	Low	62.9	Low	84 Å²	84	55.3 Å²	55.3	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.7	-171.6	-48.4	-42.9	0	0	0	112	E467 S769 K773	E467-D771 HydrophobicContact CB-CB 4.32Å; S769-D771 VanDerWaalsContact C-N 3.31Å; S769-D771 PolarHBondContact O-N 2.92Å; D771-K773 PolarHBondContact O-N 2.82Å
772	Y	60.7	Low	60.6	Low	26 Å²	26	58.5 Å²	58.5	10%	0.102	28%	0.282	C	S	.	.			trans	-76.1	97.4	-174.5	-164.3	-89.3	0	0	0	111.9	P387 C554 P556 S769	P387-Y772 HydrophobicContact CB-CE2 4.34Å; P387-Y772 WeakPolarHBondContact O-CE2 3.44Å; C554-Y772 HydrophobicContact CB-CD1 4.35Å; C554-Y772 HydrophobicContact CB-CD2 3.97Å; C554-Y772 HydrophobicContact CB-CE1 4.22Å; C554-Y772 HydrophobicContact CB-CE2 3.85Å; C554-Y772 HydrophobicContact CB-CG 4.21Å; C554-Y772 WeakPolarHBondContact O-CE1 3.43Å; P556-Y772 VanDerWaalsContact CD-O 3.29Å; P556-Y772 WeakPolarHBondContact CD-O 3.48Å; S769-Y772 PolarHBondContact O-N 3.47Å
773	K	55.7	Low	58.4	Low	153 Å²	153	62.6 Å²	62.6	67%	0.665	30%	0.303	S	S	*	.			trans	-71	128	167.3	-67.4	170.4	-175.4	160.9	0	109.3	D771 R775	D771-K773 PolarHBondContact O-N 2.82Å; K773-R775 PolarHBondContact O-N 3.24Å
774	M	50.4	Low	56	Low	26 Å²	26	72.3 Å²	72.3	13%	0.128	34%	0.341	C	S	.	.			trans	-70.9	74.3	176.4	-72.3	-127.1	-68.3	0	0	112.6	P556 I589 P680 Y683 Y776 L777	P556-M774 VanDerWaalsContact CD-CG 3.4Å; P556-M774 HydrophobicContact CG-CG 4.16Å; I589-M774 HydrophobicContact CD1-CE 3.62Å; I589-M774 HydrophobicContact CD1-CG 4.13Å; I589-M774 HydrophobicContact CD1-SD 3.68Å; I589-M774 HydrophobicContact CG1-CE 4.02Å; I589-M774 HydrophobicContact CG1-SD 4.41Å; P680-M774 HydrophobicContact CG-CB 3.99Å; Y683-M774 HydrophobicContact CE2-CE 4.04Å; M774-Y776 PolarHBondContact O-N 2.8Å; M774-L777 HydrophobicContact CE-CD1 3.59Å; M774-L777 HydrophobicContact SD-CD1 4.36Å
775	R	46.9	Very low	53.3	Low	165 Å²	165	74.6 Å²	74.6	62%	0.623	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.1	158	-68.6	-175.8	177	175.5	0.9	111.9	S499 K773 L777	S499-R775 PolarHBondContact OG-NH1 2.77Å; K773-R775 PolarHBondContact O-N 3.24Å; R775-L777 PolarHBondContact O-N 3.44Å
776	Y	41.4	Very low	50.8	Low	11 Å²	11	78.4 Å²	78.4	4%	0.043	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.8	-167.1	-161.8	-106.8	0	0	0	115.9	H502 P503 Q733 S734 M774	H502-Y776 WeakPolarHBondContact CA-OH 3.48Å; H502-Y776 HydrophobicContact CB-CE2 4.33Å; H502-Y776 WeakPolarHBondContact CB-OH 3.44Å; H502-Y776 AromaticContact ND1-CE2 3.49Å; H502-Y776 WeakPolarHBondContact ND1-CE2 3.24Å; H502-Y776 AromaticContact ND1-CZ 3.53Å; H502-Y776 PolarHBondContact ND1-OH 2.94Å; P503-Y776 VanDerWaalsContact CD-CZ 3.49Å; P503-Y776 WeakPolarHBondContact CD-OH 3.36Å; Q733-Y776 HydrophobicContact CG-CD1 4.41Å; Q733-Y776 HydrophobicContact CG-CE1 4.26Å; S734-Y776 WeakPolarHBondContact CA-OH 3.45Å; S734-Y776 PolarHBondContact OG-OH 2.87Å; S734-Y776 VanDerWaalsContact OG-OH 3.1Å; M774-Y776 PolarHBondContact O-N 2.8Å
777	L	41.2	Very low	48.2	Very low	30 Å²	30	81.5 Å²	81.5	16%	0.157	39%	0.392	C	S	.	.	S	Bend	trans	-118.1	82.2	172.1	-62.6	168	0	0	0	107.6	P680 H682 Y683 M774 R775	P680-L777 HydrophobicContact CB-CB 4.45Å; H682-L777 WeakPolarHBondContact CE1-CB 3.28Å; H682-L777 VanDerWaalsContact CE1-CD1 3.41Å; H682-L777 WeakPolarHBondContact CE1-CD1 3.39Å; Y683-L777 HydrophobicContact CE2-CD1 3.95Å; M774-L777 HydrophobicContact CE-CD1 3.59Å; M774-L777 HydrophobicContact SD-CD1 4.36Å; R775-L777 PolarHBondContact O-N 3.44Å
778	G	35.9	Very low	45.6	Very low	49 Å²	49	85.1 Å²	85.1	51%	0.505	40%	0.404	S	S	.	.			trans	-50	148	-173.8	0	0	0	0	0	113.3	G780	G778-G780 PolarHBondContact O-N 3.41Å
779	E	34	Very low	43.3	Very low	149 Å²	149	89.5 Å²	89.5	70%	0.696	43%	0.43	S	S	*	.			trans	-53.4	109.8	-165.7	-60.6	-173.2	155.4	0	0	112	N781	E779-N781 PolarHBondContact O-N 3.5Å
780	G	35.2	Very low	41.2	Very low	7 Å²	7	95 Å²	95	7%	0.072	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-66.2	-12.2	-168.3	0	0	0	0	0	114.4	S681 G778 H782 I783	S681-G780 PolarHBondContact OG-N 3.46Å; S681-G780 VanDerWaalsContact OG-N 3.1Å; G778-G780 PolarHBondContact O-N 3.41Å; G780-H782 PolarHBondContact O-N 3.27Å; G780-H782 VanDerWaalsContact O-N 3.14Å; G780-I783 WeakPolarHBondContact O-CB 3.48Å; G780-I783 PolarHBondContact O-N 2.98Å
781	N	32.8	Very low	39.6	Very low	90 Å²	90	94.4 Å²	94.4	48%	0.481	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-57.5	-28.8	-174.5	-57.9	48.9	0	0	0	112.7	S681 E779	S681-N781 WeakPolarHBondContact CB-OD1 3.26Å; S681-N781 PolarHBondContact OG-OD1 3.21Å; E779-N781 PolarHBondContact O-N 3.5Å
782	H	31.9	Very low	38.2	Very low	78 Å²	78	99 Å²	99	36%	0.361	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-99.4	-4.1	-179.8	-58.3	-69.1	0	0	0	114.2	G780 Y784 D785 Y788	G780-H782 PolarHBondContact O-N 3.27Å; G780-H782 VanDerWaalsContact O-N 3.14Å; H782-Y784 VanDerWaalsContact C-N 3.27Å; H782-Y784 PolarHBondContact O-N 3.26Å; H782-D785 PolarHBondContact O-N 3.48Å; H782-Y788 HydrophobicContact CB-CG 4.27Å; H782-Y788 AromaticContact CE1-CE2 3.74Å; H782-Y788 AromaticContact CE1-CZ 3.65Å; H782-Y788 AromaticContact ND1-CD2 3.51Å; H782-Y788 AromaticContact ND1-CE1 3.96Å; H782-Y788 AromaticContact ND1-CE2 3.31Å; H782-Y788 VanDerWaalsContact ND1-CE2 3.31Å; H782-Y788 WeakPolarHBondContact ND1-CE2 3.29Å; H782-Y788 AromaticContact ND1-CG 3.92Å; H782-Y788 AromaticContact ND1-CZ 3.54Å
783	I	36.9	Very low	36.9	Very low	91 Å²	91	106.2 Å²	106.2	47%	0.467	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.6	-179.7	-60.4	178.8	0	0	0	111.6	G780	G780-I783 WeakPolarHBondContact O-CB 3.48Å; G780-I783 PolarHBondContact O-N 2.98Å
784	Y	36.2	Very low	36	Very low	203 Å²	203	103.2 Å²	103.2	80%	0.796	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.8	177.6	-62.7	-68.1	0	0	0	114.1	H782 P786	H782-Y784 VanDerWaalsContact C-N 3.27Å; H782-Y784 PolarHBondContact O-N 3.26Å; Y784-P786 VanDerWaalsContact O-CD 3.3Å; Y784-P786 WeakPolarHBondContact O-CD 3.42Å
785	D	31.5	Very low	35.4	Very low	49 Å²	49	107.9 Å²	107.9	26%	0.262	53%	0.526	S	S	.	.			trans	-94.7	109.9	-174.5	-167	-15.4	0	0	0	112	H782 E787 Y788 L789	H782-D785 PolarHBondContact O-N 3.48Å; D785-E787 PolarHBondContact O-N 3.47Å; D785-E787 VanDerWaalsContact OD1-CB 3.28Å; D785-E787 WeakPolarHBondContact OD1-CB 3.46Å; D785-E787 PolarHBondContact OD1-N 2.88Å; D785-Y788 HydrophobicContact CB-CD2 4.07Å; D785-Y788 PolarHBondContact O-N 3.03Å; D785-Y788 WeakPolarHBondContact OD2-CD2 3.48Å; D785-L789 PolarHBondContact O-N 3.12Å
786	P	33.5	Very low	34.9	Very low	82 Å²	82	108.4 Å²	108.4	53%	0.532	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-9.7	176.5	31.7	-36.3	0	0	0	113.8	Y784 K790	Y784-P786 VanDerWaalsContact O-CD 3.3Å; Y784-P786 WeakPolarHBondContact O-CD 3.42Å; P786-K790 WeakPolarHBondContact O-CB 3.17Å; P786-K790 WeakPolarHBondContact O-CD 3.36Å; P786-K790 WeakPolarHBondContact O-CG 3.45Å; P786-K790 PolarHBondContact O-N 2.66Å
787	E	33.9	Very low	34.4	Very low	114 Å²	114	111.2 Å²	111.2	53%	0.533	55%	0.552	S	S	.	*	H	α-helix	trans	-71.6	-39.6	169.3	-67.9	-108.1	109.5	0	0	111.5	D785 K790	D785-E787 PolarHBondContact O-N 3.47Å; D785-E787 VanDerWaalsContact OD1-CB 3.28Å; D785-E787 WeakPolarHBondContact OD1-CB 3.46Å; D785-E787 PolarHBondContact OD1-N 2.88Å; E787-K790 CarbonylContact O-C 3.56Å; E787-K790 PolarHBondContact O-N 2.78Å; E787-K790 VanDerWaalsContact O-O 3.1Å
788	Y	31.3	Very low	34.2	Very low	146 Å²	146	114.9 Å²	114.9	57%	0.573	58%	0.581	S	S	*	*	H	α-helix	trans	-78.3	-32.9	178.5	-77.9	-96.5	0	0	0	112.5	H782 D785 K790	H782-Y788 HydrophobicContact CB-CG 4.27Å; H782-Y788 AromaticContact CE1-CE2 3.74Å; H782-Y788 AromaticContact CE1-CZ 3.65Å; H782-Y788 AromaticContact ND1-CD2 3.51Å; H782-Y788 AromaticContact ND1-CE1 3.96Å; H782-Y788 AromaticContact ND1-CE2 3.31Å; H782-Y788 VanDerWaalsContact ND1-CE2 3.31Å; H782-Y788 WeakPolarHBondContact ND1-CE2 3.29Å; H782-Y788 AromaticContact ND1-CG 3.92Å; H782-Y788 AromaticContact ND1-CZ 3.54Å; D785-Y788 HydrophobicContact CB-CD2 4.07Å; D785-Y788 PolarHBondContact O-N 3.03Å; D785-Y788 WeakPolarHBondContact OD2-CD2 3.48Å; Y788-K790 VanDerWaalsContact C-N 3.26Å; Y788-K790 PolarHBondContact O-N 2.9Å
789	L	34	Very low	34.1	Very low	132 Å²	132	117.8 Å²	117.8	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-69	-24.6	170.1	-74.5	167.7	0	0	0	112.7	D785 L791	D785-L789 PolarHBondContact O-N 3.12Å; L789-L791 PolarHBondContact O-N 3.41Å
790	K	32.2	Very low	34.2	Very low	133 Å²	133	118.8 Å²	118.8	58%	0.578	61%	0.612	S	S	*	*	S	Bend	trans	-77.4	77.7	162.1	-71.5	167.6	-167.9	166.9	0	109.2	P786 E787 Y788 K792	P786-K790 WeakPolarHBondContact O-CB 3.17Å; P786-K790 WeakPolarHBondContact O-CD 3.36Å; P786-K790 WeakPolarHBondContact O-CG 3.45Å; P786-K790 PolarHBondContact O-N 2.66Å; E787-K790 CarbonylContact O-C 3.56Å; E787-K790 PolarHBondContact O-N 2.78Å; E787-K790 VanDerWaalsContact O-O 3.1Å; Y788-K790 VanDerWaalsContact C-N 3.26Å; Y788-K790 PolarHBondContact O-N 2.9Å; K790-K792 PolarHBondContact O-N 3Å
791	L	33.8	Very low	34.1	Very low	164 Å²	164	124.4 Å²	124.4	86%	0.859	64%	0.639	S	S	*	*			trans	-44.7	108.7	157.5	-80	168.6	0	0	0	108.1	L789 R793	L789-L791 PolarHBondContact O-N 3.41Å; L791-R793 VanDerWaalsContact C-N 3.33Å; L791-R793 PolarHBondContact O-N 2.87Å
792	K	32.9	Very low	34.2	Very low	180 Å²	180	126.2 Å²	126.2	78%	0.783	65%	0.647	S	S	*	*			trans	-66.1	98.2	-179.8	-74.9	179.5	-179.8	171	0	106.9	K790 D794	K790-K792 PolarHBondContact O-N 3Å; K792-D794 PolarHBondContact O-N 3.24Å; K792-D794 VanDerWaalsContact O-N 3.09Å
793	R	32.6	Very low	34.3	Very low	179 Å²	179	128.9 Å²	128.9	68%	0.675	66%	0.663	S	S	*	*			trans	-46.8	118.5	171	-171	-177	-168.4	167.9	8.6	106.7	L791 S795 C797	L791-R793 VanDerWaalsContact C-N 3.33Å; L791-R793 PolarHBondContact O-N 2.87Å; R793-S795 PolarHBondContact O-N 3.48Å; R793-C797 HydrophobicContact CG-CB 4.24Å; R793-C797 PolarHBondContact NE-O 2.94Å
794	D	37.9	Very low	34.2	Very low	90 Å²	90	131.1 Å²	131.1	48%	0.481	68%	0.675	S	S	.	*			trans	-51.1	134.4	178.5	-174.2	-27.6	0	0	0	107.8	K792 K796 C797	K792-D794 PolarHBondContact O-N 3.24Å; K792-D794 VanDerWaalsContact O-N 3.09Å; D794-K796 PolarHBondContact O-N 3.46Å; D794-K796 VanDerWaalsContact O-N 3.08Å; D794-K796 WeakPolarHBondContact OD1-CB 3.05Å; D794-K796 PolarHBondContact OD1-N 3.49Å; D794-C797 HydrophobicContact CB-CB 4.25Å; D794-C797 WeakPolarHBondContact O-CB 3.32Å; D794-C797 PolarHBondContact O-N 2.68Å
795	S	38.3	Very low	34	Very low	124 Å²	124	126.6 Å²	126.6	87%	0.867	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-15.3	178.8	51.9	0	0	0	0	112.6	R793	R793-S795 PolarHBondContact O-N 3.48Å
796	K	36.2	Very low	34.2	Very low	176 Å²	176	131.8 Å²	131.8	77%	0.765	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-13.9	170.6	-60.1	176.8	-178.3	176.4	0	114	D794 S798	D794-K796 PolarHBondContact O-N 3.46Å; D794-K796 VanDerWaalsContact O-N 3.08Å; D794-K796 WeakPolarHBondContact OD1-CB 3.05Å; D794-K796 PolarHBondContact OD1-N 3.49Å; K796-S798 PolarHBondContact O-N 3.26Å
797	C	31.5	Very low	34.3	Very low	69 Å²	69	135.4 Å²	135.4	47%	0.466	71%	0.706	S	S	.	*			trans	-83.1	59.2	177.1	-75	0	0	0	0	112.4	R793 D794 V799	R793-C797 HydrophobicContact CG-CB 4.24Å; R793-C797 PolarHBondContact NE-O 2.94Å; D794-C797 HydrophobicContact CB-CB 4.25Å; D794-C797 WeakPolarHBondContact O-CB 3.32Å; D794-C797 PolarHBondContact O-N 2.68Å; C797-V799 PolarHBondContact O-N 3.05Å
798	S	36.5	Very low	34.3	Very low	108 Å²	108	137 Å²	137	76%	0.755	72%	0.719	S	S	*	*			trans	-63.7	111	155.6	54	0	0	0	0	108.4	K796 S800	K796-S798 PolarHBondContact O-N 3.26Å; S798-S800 PolarHBondContact O-N 3.16Å
799	V	33.3	Very low	34.5	Very low	109 Å²	109	136.3 Å²	136.3	66%	0.661	73%	0.731	S	S	*	*			trans	-80.6	112.7	166.7	173.8	0	0	0	0	106.4	C797	C797-V799 PolarHBondContact O-N 3.05Å
800	S	35.4	Very low	34.6	Very low	171 Å²	171	136.6 Å²	136.6	100%	1.196	74%	0.735	S	S	*	*			trans	-67.1	0	151.9	54.3	0	0	0	0	108.6	S798	S798-S800 PolarHBondContact O-N 3.16Å

Retrieved 800 of 800 residues in 1121.6 ms (Link to these results)

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