A0A3Q0KDK6_SCHMA Loading...

Med25_VWA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KDK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,787 aa.

						>A0A3Q0KDK6_SCHMA|A0A3Q0KDK6
MLNDIDLLNTLPKGVNIFAPQTNDNFCVERTSNSSSPLNFNANQPLRPFSHPSHLCNKDITSYCLEEHVHASVLSYTRPSSTPASNKSLKHAEKKLTDFCPFPVTVGYSNQLCGENPSIEKLELCRPNSFTPSSVTPLKEDSSVDPVVDDLVNSTVPYDVDDKGSLFITKAFTSTGDNNELYGSKIPTVYDHTQPLNRTSTVRAGVKRPHSTALCYTHYSDGGDPLTRPLSAPKRLIEEMHVSSDLNSILPSPDDTPISSVKFSNTNPDAPKSTLEALVASTSPLTFFPHEFPIDSECDEKFPEFAPQVSHSLMNKNIMNDLSYSVDLTSPNTEFSVKGEVDLNAINSVPSSKSMTSLDLNDLNFKCPNSHGSHKSVYSDLGLITDVIENNDTSAATHMNEYVQAIRTYAAELCPVDCVILLEHCRPFNCDSLFMKYFRDQYLCPILSNLNGGPPLNADFGRDAYTSLYSLHGFCWRKPMQTTTLMPDTPIIYKILKRVATMQHESRHTSDQINPSEGTPGHELLQAAVKEFDAIDRARRGLCKKVQRHLILLAMSPIDISKLLESDSSFIELGDDGSNLNSQEPLRNLRMRGVALSVFSPVQSPSLLKLYELVNGTPAAPFYDRRWQTVALSDKLLESDIPERRIVGPMAAAFHAQTEAELSIIEHKQLFSKQTLTNGHSNRIIEDSHHQSHTSALTTDHSLNNRCVATSNNKYPVQEQNLQQSTYCTETSAYPITSNSSLTIATDGSFRTDSNSCGGNSSSQYADDRLSPMAVTQFCATASPVGSYQRPPRNPSSLAPIQYPPASVPNYSARSVCNSRGGPDNNTTTNNNNNVRSVEGIAPLANSLSAGHSGPNSVDQTPGSVYGSDSVATPQGMYASQAGTVSPLQVANNSLPASQLHSPLASGGLHSHQPTPSSIQSSYNAYHHNTSHIYQNQQSLYDQNISKVMPGSAPSPNVLQNSFRPSSNAPSPSSQFIPTTVNTSGLSSPCSSRVPSKQYSPQLTPHQQQGSPQNRLNCPGGTQKPIHSQFIRGNNSSNNQMSTSNNHQTNENFTTHSRSNTPTNTVYTNNATINSSPLNNPQYVNYIPKDNLQQHQQQSQMKISSPQSSCLLGGDNNVVQHSSNPPSQSSLTISQQNNRRSHIPANTNISVHQLSQIPQQQSQLCPSRSVFWEGEIHVVDPNGMSMTNRFPLRLLLEQCAVRDVSQINLQMWGPVAQLSIIQAYRDSLLVERLSSPLGNGQLLARLLVDLLDSNDVNNLSALLSTQANQMIIPLGILSPSTYRLSNPIQPGTVGFICLIYNRNRIHGFVPYDSEQFRQDIVMGRYTNTRSSNNMTPDLNSNLSGNHFQRVHPNSQTFSQGHVDSAGTMLNINSQYMNTPHMGNNNNIPPRDPSPCNSVNPTYQYQNQSSHIPQYMPQHINSQAQNPPKSQILGNTAYQPIQLNQRSTPSPHNLHDNLQTGATYMPQYPLESEISTQWITNRTDTVSHQNQQPSISNNTILNQSVRTIQSGQNSHVIQQPVTQRSAISTGYSNTTAYHGHPPSRPNLDRLSAPTPVPVQCNPMTDPSIMLDQTSIHNSPLTNVLSHGQQQPQSQFVPSGSRIQNTLPSNSVNSYHRNIVPQNSGYSQPQSFNQRDHYMATQSQTHLSPGGNIGGGYTCYQSRNNMAANNIPNPSGHRFVPGPPNVGTLQMSNQQSHIVKHQHTPVLSQGENINNRHGTFGHQSAHIRPSLSNINCNTSVDSIGPHYALPSQDLPQHMIHSNLHGSLRQQPSYDSCGPSGGGLNSQGFI
					

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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	34.1	Very low	28.9	Very low	224 Å²	224	143.8 Å²	143.8	100%	1.103	76%	0.763	S	S	*	*				0	107.3	0	-67.8	168.7	-179.8	0	0	105.3
2	L	26.9	Very low	28.9	Very low	145 Å²	145	140.6 Å²	140.6	76%	0.759	76%	0.756	S	S	*	*				66.5	99.9	83.1	-67.8	168.7	0	0	0	108.9
3	N	25.7	Very low	28.7	Very low	130 Å²	130	139.5 Å²	139.5	70%	0.695	74%	0.74	S	S	*	*				80.2	135.1	87.9	-83.6	58.9	0	0	0	109.6
4	D	32.7	Very low	28.5	Very low	121 Å²	121	134.6 Å²	134.6	65%	0.647	74%	0.74	S	S	*	*			cis	-165	159.7	39.9	-112.1	-27.6	0	0	0	114.6
5	I	31.7	Very low	28.6	Very low	138 Å²	138	135.3 Å²	135.3	71%	0.708	75%	0.749	S	S	*	*			trans	70.2	125.7	137	-68.1	164.5	0	0	0	121.9
6	D	26.3	Very low	28.3	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	75%	0.75	S	S	*	*			trans	-56.1	158.7	162.9	-47.6	-92.7	0	0	0	114.4
7	L	29.3	Very low	28.1	Very low	173 Å²	173	135.8 Å²	135.8	91%	0.906	75%	0.747	S	S	*	*				-157.4	138.4	129.6	-112.6	158.7	0	0	0	113.6
8	L	24.5	Very low	28.1	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	75%	0.752	S	S	*	*			trans	-89.4	160.1	-177.2	-86.3	157.6	0	0	0	112.7
9	N	26.6	Very low	27.8	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.749	S	S	*	*			trans	54.7	105.4	149.8	-61.1	-25.2	0	0	0	119.3
10	T	30.3	Very low	27.9	Very low	145 Å²	145	135.9 Å²	135.9	89%	0.89	76%	0.755	S	S	*	*				-158.1	146.3	126.3	0.2	0	0	0	0	112.2
11	L	29.4	Very low	27.8	Very low	84 Å²	84	137.4 Å²	137.4	44%	0.44	76%	0.756	S	S	.	*			trans	-163.9	127.8	-172.5	-92.2	179.5	0	0	0	108.7	L124 C125	L11-L124 CarbonylContact O-C 3.55Å; L11-L124 WeakPolarHBondContact O-CA 3.41Å; L11-C125 PolarHBondContact O-N 3.23Å
12	P	29.8	Very low	27.5	Very low	105 Å²	105	131.6 Å²	131.6	68%	0.682	73%	0.734	S	S	*	*			trans	-125.2	133.8	178.4	37.3	-23.7	0	0	0	116.1	L124 C125	P12-L124 CarbonylContact C-O 3.04Å; P12-L124 WeakPolarHBondContact CA-O 3.41Å; P12-C125 CarbonylContact C-O 3.57Å; P12-C125 VanDerWaalsContact O-O 3.09Å
13	K	26.2	Very low	27.5	Very low	126 Å²	126	130.8 Å²	130.8	55%	0.548	73%	0.73	S	S	.	*			trans	-64.4	127.6	-174.5	-119.1	151.7	-172.5	176.1	0	114.4	E123 L124 C125	K13-E123 IonicContact NZ-OE1 3.85Å; K13-E123 PolarHBondContact NZ-OE1 3.09Å; K13-E123 IonicContact NZ-OE2 2.69Å; K13-L124 VanDerWaalsContact CB-O 3.31Å; K13-L124 WeakPolarHBondContact CB-O 3.49Å; K13-L124 PolarHBondContact N-O 3.24Å; K13-C125 WeakPolarHBondContact CA-O 3.47Å; K13-C125 HydrophobicContact CB-CB 4.19Å; K13-C125 HydrophobicContact CD-CB 3.81Å; K13-C125 HydrophobicContact CG-CB 3.53Å; K13-C125 PolarHBondContact N-O 3.46Å
14	G	25.5	Very low	27.6	Very low	72 Å²	72	130 Å²	130	74%	0.742	73%	0.726	S	S	*	*				75.3	139.8	128.9	0	0	0	0	0	119.7
15	V	29.8	Very low	27.3	Very low	145 Å²	145	130.5 Å²	130.5	88%	0.879	73%	0.728	S	S	*	*			trans	-156.6	146.2	144.9	134.5	0	0	0	0	107.1
16	N	24.5	Very low	27	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	74%	0.74	S	S	*	*			trans	-88.9	-176.7	177	-80.3	-57.5	0	0	0	111.2
17	I	24.2	Very low	26.9	Very low	136 Å²	136	132.9 Å²	132.9	70%	0.697	74%	0.741	S	S	*	*			trans	73.6	103.6	160.9	-30.5	169	0	0	0	114.8
18	F	27.8	Very low	27.1	Very low	192 Å²	192	130.5 Å²	130.5	84%	0.842	73%	0.733	S	S	*	*				179.7	129.6	101.6	-100.4	-70.9	0	0	0	110.8
19	A	22.5	Very low	27.2	Very low	83 Å²	83	133.2 Å²	133.2	69%	0.686	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-97.4	129	167.1	0	0	0	0	0	109.1	Q21	A19-Q21 PolarHBondContact O-N 3.4Å
20	P	31.2	Very low	27.2	Very low	133 Å²	133	137.7 Å²	137.7	86%	0.864	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.5	119.4	162.6	-11	27.4	0	0	0	108.3
21	Q	25.3	Very low	27	Very low	169 Å²	169	136.9 Å²	136.9	79%	0.79	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-94.1	166.8	-179.1	-134.3	-175.4	12.3	0	0	111	A19	A19-Q21 PolarHBondContact O-N 3.4Å
22	T	27	Very low	26.8	Very low	102 Å²	102	138.2 Å²	138.2	63%	0.626	76%	0.76	S	S	*	*			trans	66.7	125.3	148.7	51	0	0	0	0	121.3
23	N	26.5	Very low	26.5	Very low	127 Å²	127	139.9 Å²	139.9	68%	0.679	76%	0.763	S	S	*	*			trans	78	145.2	130	-65.9	38.6	0	0	0	119.1
24	D	28.1	Very low	26.4	Very low	115 Å²	115	138.5 Å²	138.5	62%	0.615	77%	0.769	S	S	*	*			cis	-153.2	156.1	-0.7	-118.6	-26.3	0	0	0	114
25	N	27.1	Very low	26.4	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	77%	0.77	S	S	*	*			trans	38.1	101.6	152.1	-61.8	-53.8	0	0	0	120.2
26	F	25.1	Very low	26.1	Very low	216 Å²	216	139 Å²	139	95%	0.947	77%	0.768	S	S	*	*				-141.2	153.3	122.2	-112.9	-80	0	0	0	110.5
27	C	24.8	Very low	26.3	Very low	119 Å²	119	137.5 Å²	137.5	80%	0.804	77%	0.766	S	S	*	*			trans	-76.9	-176.2	-170.9	-56.6	0	0	0	0	114.1
28	V	33.4	Very low	26.5	Very low	123 Å²	123	137.9 Å²	137.9	75%	0.745	77%	0.769	S	S	*	*			trans	93.6	84.9	-178.8	-171.9	0	0	0	0	113.4	R30	V28-R30 HydrophobicContact CG1-CG 4.39Å; V28-R30 PolarHBondContact O-N 3.32Å
29	E	26.9	Very low	26.4	Very low	196 Å²	196	134.1 Å²	134.1	92%	0.916	76%	0.758	S	S	*	*			trans	-66.9	121.3	171.7	-64.4	-177.6	123.9	0	0	111.3
30	R	26.2	Very low	26.7	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	76%	0.763	S	S	*	*			trans	-145.3	85	173.9	-88	-171.4	168	-171.2	-1.5	111.1	V28	V28-R30 HydrophobicContact CG1-CG 4.39Å; V28-R30 PolarHBondContact O-N 3.32Å
31	T	25.1	Very low	26.4	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	76%	0.761	S	S	*	*			trans	-143.4	144.6	170	38.7	0	0	0	0	112.6	N33	T31-N33 PolarHBondContact O-N 2.95Å
32	S	26	Very low	26.5	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	76%	0.756	S	S	*	*	S	Bend	trans	51.9	52.1	153.7	51.6	0	0	0	0	118.8
33	N	22.8	Very low	26.6	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	77%	0.767	S	S	*	*			trans	-141.1	133.9	144.1	-94.3	-50.9	0	0	0	106.5	T31	T31-N33 PolarHBondContact O-N 2.95Å
34	S	24.4	Very low	26.7	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	77%	0.771	S	S	*	*				63.7	103.1	53.8	113.5	0	0	0	0	112.1
35	S	24.8	Very low	26.6	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	77%	0.773	S	S	*	*			trans	172.1	116.3	155	32.1	0	0	0	0	111.5
36	S	25.1	Very low	26.6	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	77%	0.771	S	S	*	*				52.8	164	116.7	-54.6	0	0	0	0	121.2
37	P	28	Very low	26.9	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	76%	0.763	S	S	*	*			cis	-113.6	167.9	0.6	41.2	-27.9	0	0	0	112.4
38	L	27.6	Very low	27	Very low	145 Å²	145	138.7 Å²	138.7	76%	0.759	76%	0.761	S	S	*	*			cis	-147.7	139.7	40.8	-83.1	161.5	0	0	0	113.6
39	N	26.5	Very low	26.8	Very low	113 Å²	113	139.8 Å²	139.8	60%	0.604	76%	0.756	S	S	*	*				30.8	134.3	126.5	-72.9	-13.9	0	0	0	120.6
40	F	29.4	Very low	26.7	Very low	181 Å²	181	135.9 Å²	135.9	79%	0.794	75%	0.75	S	S	*	*			cis	-139.7	147.2	10.7	-93.5	-70.3	0	0	0	113.9
41	N	24.9	Very low	26.9	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	75%	0.745	S	S	*	*			trans	-55.1	149.1	164.8	-63.3	-46.1	0	0	0	113.3
42	A	27.4	Very low	27.4	Very low	83 Å²	83	131.8 Å²	131.8	69%	0.686	74%	0.74	S	S	*	*				178.8	142.9	98.4	0	0	0	0	0	114.4
43	N	28.5	Very low	27.5	Very low	162 Å²	162	130.8 Å²	130.8	87%	0.866	73%	0.734	S	S	*	*			trans	71.9	107.8	153.3	-57.8	-11.8	0	0	0	121.3
44	Q	28.5	Very low	27.8	Very low	164 Å²	164	131.4 Å²	131.4	77%	0.766	73%	0.732	S	S	*	*			trans	-64.8	176.1	151.9	-108.2	-172.1	39.3	0	0	112
45	P	26.7	Very low	28	Very low	99 Å²	99	133.8 Å²	133.8	64%	0.643	74%	0.736	S	S	*	*			cis	-141.2	-167.6	36.4	42.1	-20.9	0	0	0	117.4
46	L	25.6	Very low	28.2	Very low	127 Å²	127	133.7 Å²	133.7	67%	0.665	73%	0.734	S	S	*	*			trans	-95.2	155.4	-174.7	-54.7	85.1	0	0	0	113.5
47	R	33.2	Very low	28.4	Very low	203 Å²	203	134.1 Å²	134.1	77%	0.766	73%	0.727	S	S	*	*			trans	41.5	142	137.7	-76.3	-168.2	-179.5	-150.8	2.7	120.2
48	P	26.3	Very low	28.6	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	73%	0.732	S	S	*	*				-146.1	158.6	88.1	38.3	-22	0	0	0	117.4
49	F	28.6	Very low	28.7	Very low	146 Å²	146	136.4 Å²	136.4	64%	0.64	73%	0.725	S	S	*	*			trans	-77	155.9	157.1	-88.6	-113.6	0	0	0	110.5
50	S	25.2	Very low	28.9	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	73%	0.734	S	S	*	*			trans	-159.2	98.8	152.5	-80.8	0	0	0	0	112.9
51	H	29.4	Very low	28.8	Very low	164 Å²	164	135.5 Å²	135.5	76%	0.759	73%	0.732	S	S	*	*				23.1	167.6	106	-68.3	-63.5	0	0	0	121.1
52	P	37.5	Very low	28.9	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	72%	0.719	S	S	*	*			cis	-129.5	-176.6	-20.7	27.2	-4.1	0	0	0	112
53	S	26.8	Very low	28.8	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	73%	0.726	S	S	*	*				152.6	166.9	86.2	60.4	0	0	0	0	108.7
54	H	29.7	Very low	28.6	Very low	153 Å²	153	135.4 Å²	135.4	71%	0.708	72%	0.718	S	S	*	*			cis	-151.4	144	12	-108.7	-66.5	0	0	0	110.2
55	L	28.4	Very low	28.4	Very low	146 Å²	146	134.8 Å²	134.8	76%	0.764	72%	0.719	S	S	*	*			trans	63.5	153.9	146.6	-57.8	167	0	0	0	118.8
56	C	28.7	Very low	28.5	Very low	107 Å²	107	138.7 Å²	138.7	72%	0.723	73%	0.729	S	S	*	*			cis	-147.1	163.3	3.1	-146.8	0	0	0	0	112.9
57	N	28.9	Very low	28.5	Very low	128 Å²	128	140.9 Å²	140.9	68%	0.684	74%	0.735	S	S	*	*			trans	-64.2	161.8	179.4	-50.6	6.8	0	0	0	112.1
58	K	32.7	Very low	28.2	Very low	188 Å²	188	140.1 Å²	140.1	82%	0.817	74%	0.74	S	S	*	*				-160.8	134.4	72.3	-83.5	-167	173.7	-179.3	0	110.5
59	D	29.4	Very low	28.1	Very low	116 Å²	116	140.5 Å²	140.5	62%	0.62	74%	0.74	S	S	*	*				64.8	132.2	83.7	-57.4	-44.4	0	0	0	112.4
60	I	32	Very low	28	Very low	154 Å²	154	139.9 Å²	139.9	79%	0.79	74%	0.739	S	S	*	*			cis	-155	154.7	17.2	-125.2	159.1	0	0	0	113.4
61	T	27.4	Very low	28	Very low	121 Å²	121	138.2 Å²	138.2	74%	0.742	73%	0.732	S	S	*	*			trans	-63	174.3	169	40.5	0	0	0	0	113.7
62	S	26.1	Very low	27.8	Very low	78 Å²	78	136.2 Å²	136.2	55%	0.545	74%	0.737	S	S	.	*			cis	175.2	169	2.3	39.1	0	0	0	0	108.7
63	Y	25.9	Very low	27.3	Very low	216 Å²	216	137.6 Å²	137.6	85%	0.847	74%	0.743	S	S	*	*			trans	67.3	154.8	159.2	-64.2	-56.8	0	0	0	117.1
64	C	23.8	Very low	27.2	Very low	102 Å²	102	139.8 Å²	139.8	69%	0.689	75%	0.747	S	S	*	*			cis	-163.4	166.9	-30.5	-147.1	0	0	0	0	109.4
65	L	25.1	Very low	26.9	Very low	152 Å²	152	137.9 Å²	137.9	80%	0.796	75%	0.75	S	S	*	*			trans	69.5	158.8	157.2	-77.1	165.4	0	0	0	121.5
66	E	27.4	Very low	26.8	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	75%	0.748	S	S	*	*			trans	76.7	144.2	159.6	-78	165.7	-167.1	0	0	121.6
67	E	25.1	Very low	26.7	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	75%	0.749	S	S	*	*			trans	-87.4	151.3	-178	-53.2	160.9	107	0	0	110.5
68	H	28	Very low	26.5	Very low	188 Å²	188	145 Å²	145	87%	0.87	76%	0.757	S	S	*	*				-173.4	164.7	126.3	-106.4	58.5	0	0	0	112.8
69	V	24.5	Very low	26.4	Very low	124 Å²	124	141.3 Å²	141.3	75%	0.752	75%	0.752	S	S	*	*			trans	-102.3	168.2	-178.1	-172.8	0	0	0	0	110.3
70	H	26	Very low	26.2	Very low	134 Å²	134	140.6 Å²	140.6	62%	0.62	76%	0.756	S	S	*	*			trans	100.2	112.7	168.3	-68.7	-101.6	0	0	0	119.9	L181 Y182	H70-L181 PolarHBondContact CE1-O 2.72Å; H70-Y182 PolarHBondContact CE1-O 2.63Å; H70-Y182 PolarHBondContact ND1-O 3.07Å
71	A	24.3	Very low	26	Very low	79 Å²	79	138.2 Å²	138.2	65%	0.653	75%	0.753	S	S	*	*				63	103.3	125.1	0	0	0	0	0	121.6
72	S	26.1	Very low	26	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	75%	0.754	S	S	*	*				52.2	95.2	117.1	-54.2	0	0	0	0	120.3
73	V	25.8	Very low	26.1	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	77%	0.766	S	S	*	*			trans	-128.6	119.9	146.8	178.1	0	0	0	0	110.7
74	L	25.8	Very low	26	Very low	139 Å²	139	133.9 Å²	133.9	73%	0.728	76%	0.756	S	S	*	*			trans	-76.2	136.2	169.1	-75.3	152.3	0	0	0	110.3	Y76	L74-Y76 HydrophobicContact CB-CD2 4.05Å; L74-Y76 HydrophobicContact CB-CE2 4.21Å; L74-Y76 HydrophobicContact CD1-CE2 4.35Å; L74-Y76 HydrophobicContact CD2-CE2 4.32Å
75	S	24.2	Very low	26.1	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	76%	0.755	S	S	*	*			trans	-148.7	59.6	163.7	-80.1	0	0	0	0	112.6
76	Y	25.3	Very low	26.1	Very low	182 Å²	182	132.1 Å²	132.1	71%	0.714	75%	0.748	S	S	*	*				27.1	148.6	124.1	-89.9	-75	0	0	0	122	L74	L74-Y76 HydrophobicContact CB-CD2 4.05Å; L74-Y76 HydrophobicContact CB-CE2 4.21Å; L74-Y76 HydrophobicContact CD1-CE2 4.35Å; L74-Y76 HydrophobicContact CD2-CE2 4.32Å
77	T	26.5	Very low	26	Very low	121 Å²	121	131.4 Å²	131.4	74%	0.742	74%	0.742	S	S	*	*			trans	73.4	147.3	157.8	52.3	0	0	0	0	116.7
78	R	24.6	Very low	26.1	Very low	228 Å²	228	128.5 Å²	128.5	86%	0.86	74%	0.741	S	S	*	*			cis	-132.3	126.7	23.4	-163.9	178.2	-169.4	179.9	3.7	115.1
79	P	31.7	Very low	25.9	Very low	109 Å²	109	125.4 Å²	125.4	71%	0.708	73%	0.73	S	S	*	*			trans	-92.2	137.4	168.7	35.3	-31.8	0	0	0	112.5
80	S	25.7	Very low	26.2	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	74%	0.736	S	S	*	*			trans	-178.7	140.6	162.6	48.5	0	0	0	0	108.3
81	S	26.9	Very low	26.3	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	74%	0.739	S	S	*	*			cis	-157.5	148.4	1.7	37.9	0	0	0	0	112.9
82	T	27	Very low	26.7	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	75%	0.745	S	S	*	*			trans	-19.6	170.2	136.7	38.3	0	0	0	0	118.4
83	P	27.7	Very low	26.8	Very low	122 Å²	122	131.2 Å²	131.2	79%	0.792	74%	0.735	S	S	*	*			cis	-119.3	-159.7	-20.1	29	-5.8	0	0	0	109.5
84	A	25.5	Very low	26.9	Very low	77 Å²	77	132.9 Å²	132.9	64%	0.636	73%	0.731	S	S	*	*			cis	-168.8	151.5	35.9	0	0	0	0	0	108.5
85	S	24.6	Very low	27	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	73%	0.734	S	S	*	*				62.5	137.3	61.2	117.5	0	0	0	0	112.9
86	N	24.8	Very low	27.1	Very low	121 Å²	121	136.4 Å²	136.4	65%	0.647	73%	0.733	S	S	*	*			cis	-169.5	166.6	24.8	-133.3	-44.6	0	0	0	114.2
87	K	27	Very low	27.2	Very low	167 Å²	167	132.8 Å²	132.8	73%	0.726	73%	0.729	S	S	*	*			trans	67.8	158.7	156.5	-63.2	152.8	-168	176.2	0	117.5
88	S	26.7	Very low	27.1	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	72%	0.72	S	S	*	*			cis	-127.4	132.8	-2.4	-112.2	0	0	0	0	109.4
89	L	24	Very low	27	Very low	124 Å²	124	129.7 Å²	129.7	65%	0.649	72%	0.717	S	S	*	*			cis	87.6	96.4	42.4	-162.7	157.7	0	0	0	113.3
90	K	30.7	Very low	27.1	Very low	201 Å²	201	130.3 Å²	130.3	87%	0.874	72%	0.722	S	S	*	*			trans	-177.2	139.6	159.7	-102.1	176.2	-178.1	-178.7	0	107.9
91	H	27.6	Very low	27.1	Very low	148 Å²	148	131.3 Å²	131.3	69%	0.685	73%	0.727	S	S	*	*			cis	-161.8	167.5	-39.2	-127	-71	0	0	0	107.5
92	A	32.5	Very low	27.6	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	74%	0.736	S	S	*	*			trans	67.8	98	179.3	0	0	0	0	0	114.8
93	E	27.3	Very low	27.8	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	73%	0.733	S	S	*	*			cis	89.1	137.1	16.9	-154.1	-158.9	-109.7	0	0	116.4
94	K	28.3	Very low	27.8	Very low	170 Å²	170	135.3 Å²	135.3	74%	0.739	73%	0.729	S	S	*	*			trans	81.7	134.6	177.5	-52.4	-178.1	180	69.3	0	114.1
95	K	29	Very low	27.8	Very low	181 Å²	181	137.6 Å²	137.6	79%	0.787	74%	0.735	S	S	*	*			cis	-161.8	139.3	1.5	-133.8	-172.1	174.6	-165.4	0	107.1
96	L	26.7	Very low	28	Very low	146 Å²	146	138.5 Å²	138.5	76%	0.764	74%	0.736	S	S	*	*				39.4	130.2	69.4	-84.1	81.7	0	0	0	112.6
97	T	25.7	Very low	28.1	Very low	105 Å²	105	135.8 Å²	135.8	64%	0.644	74%	0.737	S	S	*	*			cis	-166.5	-169.1	13.7	3.1	0	0	0	0	107.4
98	D	24.5	Very low	28.2	Very low	102 Å²	102	137.7 Å²	137.7	55%	0.545	74%	0.741	S	S	.	*			cis	-163.9	165	13.4	-122.6	-33.8	0	0	0	112.9
99	F	23.4	Very low	28.2	Very low	183 Å²	183	136.4 Å²	136.4	80%	0.803	73%	0.732	S	S	*	*			trans	46.4	131.5	153.3	-71.8	-68.6	0	0	0	125.8
100	C	34.5	Very low	28.3	Very low	121 Å²	121	136.6 Å²	136.6	82%	0.818	73%	0.734	S	S	*	*			trans	-82.4	163.3	153.4	-50.6	0	0	0	0	112.6
101	P	25.3	Very low	28.1	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	73%	0.726	S	S	*	*			trans	-135.8	132.4	147.8	35.4	-21.1	0	0	0	115.2
102	F	37.1	Very low	28.1	Very low	208 Å²	208	133.6 Å²	133.6	91%	0.912	73%	0.727	S	S	*	*			trans	-82.1	147.5	149.4	-89.1	-83.7	0	0	0	108.8
103	P	31.7	Very low	27.7	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	73%	0.731	S	S	*	*				-147.2	150.2	102.3	30.6	-9.9	0	0	0	115.1
104	V	26.6	Very low	27.7	Very low	117 Å²	117	132.4 Å²	132.4	71%	0.709	74%	0.739	S	S	*	*				58.9	128.7	94.3	-165	0	0	0	0	113.6
105	T	26.9	Very low	27.7	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	75%	0.746	S	S	*	*				-175.2	122.4	73.6	-36.2	0	0	0	0	108.2
106	V	28.2	Very low	27.6	Very low	114 Å²	114	132.6 Å²	132.6	69%	0.691	75%	0.751	S	S	*	*				73.5	127.7	79.1	176.7	0	0	0	0	117.8	Y108	V106-Y108 HydrophobicContact CG1-CD2 3.96Å; V106-Y108 HydrophobicContact CG1-CE2 3.77Å
107	G	26.4	Very low	28.2	Very low	64 Å²	64	130.5 Å²	130.5	66%	0.66	75%	0.746	S	S	*	*			trans	-173.4	110	156.5	0	0	0	0	0	109
108	Y	28.5	Very low	28.4	Very low	208 Å²	208	130.9 Å²	130.9	82%	0.816	75%	0.753	S	S	*	*				67.3	133	77	-71.4	-58.6	0	0	0	113.4	V106	V106-Y108 HydrophobicContact CG1-CD2 3.96Å; V106-Y108 HydrophobicContact CG1-CE2 3.77Å
109	S	27.1	Very low	28.7	Very low	83 Å²	83	133 Å²	133	58%	0.58	76%	0.763	S	S	*	*			cis	-167.6	147.2	15.8	-122.7	0	0	0	0	114.3
110	N	26.8	Very low	29	Very low	128 Å²	128	131.3 Å²	131.3	68%	0.684	76%	0.757	S	S	*	*			trans	61.7	157.1	136.4	-68.1	-7.2	0	0	0	121.2
111	Q	26.5	Very low	28.8	Very low	150 Å²	150	132.5 Å²	132.5	70%	0.701	75%	0.749	S	S	*	*			cis	-166.9	163.2	5.6	-123.7	169.1	23.7	0	0	114.1
112	L	26.5	Very low	28.9	Very low	136 Å²	136	133.8 Å²	133.8	71%	0.712	75%	0.748	S	S	*	*			trans	74.7	106.3	146.5	-67.4	165.3	0	0	0	124.7
113	C	25.3	Very low	28.5	Very low	126 Å²	126	129.7 Å²	129.7	85%	0.851	73%	0.732	S	S	*	*				55	137.3	122.3	-59.1	0	0	0	0	125
114	G	26.3	Very low	28.3	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	72%	0.722	S	S	*	*			trans	172.2	67	161.4	0	0	0	0	0	120.5
115	E	28.7	Very low	28.2	Very low	190 Å²	190	124.9 Å²	124.9	89%	0.888	70%	0.698	S	S	*	*			trans	18.9	112.5	154.9	-57.3	-176.3	122.9	0	0	124.6
116	N	27.9	Very low	28.3	Very low	165 Å²	165	128.5 Å²	128.5	88%	0.882	70%	0.697	S	S	*	*				52.6	163.6	113.5	-88.1	-19.9	0	0	0	124.9
117	P	39.4	Very low	28.6	Very low	103 Å²	103	127.4 Å²	127.4	67%	0.669	69%	0.692	S	S	*	*			trans	-130.9	-177.1	-144.4	46	-32.2	0	0	0	118.3
118	S	29.5	Very low	28.7	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	70%	0.698	S	S	*	*			trans	-157.4	134	160	-67.8	0	0	0	0	108.4
119	I	29.2	Very low	28.6	Very low	146 Å²	146	126.1 Å²	126.1	75%	0.749	69%	0.692	S	S	*	*			cis	97.1	136.5	39.2	-66.8	168	0	0	0	112.8
120	E	31.3	Very low	28.6	Very low	147 Å²	147	130.9 Å²	130.9	69%	0.687	70%	0.703	S	S	*	*			trans	88.3	141.8	178	-49.8	-136.7	148.2	0	0	118.5
121	K	29.3	Very low	28.6	Very low	146 Å²	146	130.6 Å²	130.6	64%	0.635	71%	0.706	S	S	*	*			cis	-171.3	149	-18.3	-112.1	180	-170.4	147.3	0	112.7
122	L	27.2	Very low	29.1	Very low	151 Å²	151	129 Å²	129	79%	0.791	71%	0.709	S	S	*	*			trans	60.7	178.8	147.1	-61.6	170	0	0	0	120.4
123	E	28.4	Very low	29.1	Very low	121 Å²	121	127.8 Å²	127.8	57%	0.565	71%	0.712	S	S	*	*				-153.8	-178.9	-74.3	-128.8	-131	129	0	0	107	K13	K13-E123 IonicContact NZ-OE1 3.85Å; K13-E123 PolarHBondContact NZ-OE1 3.09Å; K13-E123 IonicContact NZ-OE2 2.69Å
124	L	27.7	Very low	29	Very low	98 Å²	98	126.9 Å²	126.9	51%	0.513	71%	0.707	S	S	.	*				-174	157.4	-70.3	172.5	62.6	0	0	0	109.8	L11 P12 K13	L11-L124 CarbonylContact O-C 3.55Å; L11-L124 WeakPolarHBondContact O-CA 3.41Å; P12-L124 CarbonylContact C-O 3.04Å; P12-L124 WeakPolarHBondContact CA-O 3.41Å; K13-L124 VanDerWaalsContact CB-O 3.31Å; K13-L124 WeakPolarHBondContact CB-O 3.49Å; K13-L124 PolarHBondContact N-O 3.24Å
125	C	26	Very low	29	Very low	28 Å²	28	129 Å²	129	19%	0.189	70%	0.703	C	S	.	*			trans	92.3	117	161.5	-92.1	0	0	0	0	124.6	L11 P12 K13	L11-C125 PolarHBondContact O-N 3.23Å; P12-C125 CarbonylContact C-O 3.57Å; P12-C125 VanDerWaalsContact O-O 3.09Å; K13-C125 WeakPolarHBondContact CA-O 3.47Å; K13-C125 HydrophobicContact CB-CB 4.19Å; K13-C125 HydrophobicContact CD-CB 3.81Å; K13-C125 HydrophobicContact CG-CB 3.53Å; K13-C125 PolarHBondContact N-O 3.46Å
126	R	29	Very low	28.9	Very low	201 Å²	201	126.2 Å²	126.2	76%	0.758	70%	0.699	S	S	*	*				76.5	155.1	129.6	-72.3	-170.6	169	172.5	-1.2	124.7
127	P	33.5	Very low	29.1	Very low	91 Å²	91	123.9 Å²	123.9	59%	0.591	69%	0.693	S	S	*	*			trans	-127.2	-177.3	-158.5	43.4	-26.9	0	0	0	115.4
128	N	28.5	Very low	28.5	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	70%	0.701	S	S	*	*			trans	158.6	161.9	132.4	-86.6	-23.4	0	0	0	115.2
129	S	26.3	Very low	28.4	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	70%	0.696	S	S	*	*			trans	72.7	156.1	162.5	75.3	0	0	0	0	117.4
130	F	27.9	Very low	28.4	Very low	184 Å²	184	127.2 Å²	127.2	81%	0.807	69%	0.686	S	S	*	*			cis	-140	150.7	13.6	-104.3	-80.1	0	0	0	114.3
131	T	27	Very low	28.2	Very low	121 Å²	121	124.6 Å²	124.6	74%	0.742	68%	0.677	S	S	*	*			trans	9.2	159.8	152.3	51	0	0	0	0	125.7
132	P	36.7	Very low	28.2	Very low	117 Å²	117	122 Å²	122	76%	0.76	68%	0.677	S	S	*	*			trans	-102.1	166.5	-171.8	41.3	-37.8	0	0	0	117.4
133	S	27.1	Very low	28.2	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	67%	0.673	S	S	*	*			trans	-166.3	117.7	159.6	-77.8	0	0	0	0	107.4
134	S	23.1	Very low	28.4	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	68%	0.682	S	S	*	*				73.8	139.7	75.5	77.8	0	0	0	0	115.3
135	V	26.2	Very low	28.4	Very low	124 Å²	124	122.3 Å²	122.3	75%	0.752	70%	0.696	S	S	*	*			trans	123	96.4	159	178.9	0	0	0	0	117.8
136	T	25.9	Very low	28.7	Very low	131 Å²	131	126 Å²	126	80%	0.804	72%	0.72	S	S	*	*			trans	64.9	149.4	147.6	54.2	0	0	0	0	124
137	P	31.6	Very low	28.8	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	72%	0.722	S	S	*	*			trans	-106.1	168.8	176.3	42.1	-35.7	0	0	0	114.9
138	L	27.6	Very low	28.6	Very low	159 Å²	159	123.7 Å²	123.7	83%	0.832	73%	0.726	S	S	*	*			trans	-159	130.6	151.6	-88.8	147	0	0	0	104.9
139	K	26.9	Very low	28.5	Very low	157 Å²	157	123 Å²	123	68%	0.683	72%	0.722	S	S	*	*				51.4	130.9	79.6	-77	-172.7	146.9	-121.7	0	113.2
140	E	28.8	Very low	28.5	Very low	116 Å²	116	124.7 Å²	124.7	54%	0.542	72%	0.723	S	S	.	*			cis	-162.9	160.1	5.4	-128.4	156.6	173.5	0	0	111.3
141	D	28.4	Very low	28.5	Very low	93 Å²	93	122.7 Å²	122.7	50%	0.497	72%	0.72	S	S	.	*			trans	59.1	156.3	149.8	-69.5	-36.2	0	0	0	121.4
142	S	28.9	Very low	28.5	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	72%	0.716	S	S	*	*			cis	-157.1	-179.3	-4.9	41.3	0	0	0	0	111.5
143	S	27.5	Very low	27.9	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	72%	0.716	S	S	*	*			trans	-8.2	152.2	158.8	57.4	0	0	0	0	119.6
144	V	32.3	Very low	27.8	Very low	127 Å²	127	123 Å²	123	77%	0.77	71%	0.714	S	S	*	*				-154.4	117.5	57.1	163.6	0	0	0	0	108.5
145	D	26.6	Very low	28.1	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	72%	0.72	S	S	*	*				91.2	139.1	79.5	-129.2	6.4	0	0	0	112.6
146	P	33.5	Very low	28.1	Very low	106 Å²	106	124 Å²	124	69%	0.688	72%	0.716	S	S	*	*			trans	-101.9	165.8	-161.8	39.7	-36.3	0	0	0	115.5
147	V	31.1	Very low	28.4	Very low	134 Å²	134	122.2 Å²	122.2	81%	0.812	71%	0.706	S	S	*	*			trans	-138.6	112.5	171.5	-177.4	0	0	0	0	105.8
148	V	27.6	Very low	28.3	Very low	109 Å²	109	127.8 Å²	127.8	66%	0.661	71%	0.714	S	S	*	*				70.5	122.5	64.7	170.8	0	0	0	0	109.3
149	D	26.4	Very low	28.2	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	71%	0.713	S	S	*	*			cis	-150.6	-174.9	2.7	-95	-18	0	0	0	109.1
150	D	27.1	Very low	28.5	Very low	134 Å²	134	126.8 Å²	126.8	72%	0.717	72%	0.722	S	S	*	*			trans	29.3	154.3	137.3	-64.1	-8.7	0	0	0	121.8
151	L	28.9	Very low	28.3	Very low	143 Å²	143	128.6 Å²	128.6	75%	0.749	74%	0.735	S	S	*	*			cis	-157.4	120.8	25.7	-160.5	61.9	0	0	0	107.3
152	V	26.2	Very low	28.4	Very low	109 Å²	109	130.4 Å²	130.4	66%	0.661	75%	0.745	S	S	*	*				48.5	123.9	97.7	176.8	0	0	0	0	116.1
153	N	25.2	Very low	28.3	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	75%	0.751	S	S	*	*			trans	77.4	102.1	162	-68.2	-10.7	0	0	0	121.8
154	S	24.4	Very low	28.3	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	76%	0.755	S	S	*	*				59.4	112.1	113.5	-49.7	0	0	0	0	121.5
155	T	28.4	Very low	28	Very low	143 Å²	143	131.4 Å²	131.4	88%	0.877	75%	0.747	S	S	*	*			trans	-142.7	147.9	140.9	-57.2	0	0	0	0	108.3
156	V	26.1	Very low	28	Very low	111 Å²	111	132 Å²	132	67%	0.673	75%	0.75	S	S	*	*			trans	-102.3	-165	-166.1	-143.3	0	0	0	0	111.4
157	P	32.1	Very low	27.6	Very low	92 Å²	92	134.8 Å²	134.8	60%	0.597	75%	0.751	S	S	*	*				-101.2	176.8	-127.9	41.8	-28.8	0	0	0	114.6
158	Y	30.1	Very low	27.5	Very low	234 Å²	234	135.9 Å²	135.9	92%	0.918	75%	0.751	S	S	*	*			trans	-148	127.9	157.5	-105	-78.8	0	0	0	111
159	D	26.6	Very low	27.4	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	75%	0.747	S	S	*	*			trans	-74.7	138.3	172.7	-63	-70.5	0	0	0	112.2
160	V	31.2	Very low	27.4	Very low	142 Å²	142	138.6 Å²	138.6	86%	0.861	76%	0.755	S	S	*	*			trans	-148.5	127.1	143.9	-172.2	0	0	0	0	108.5
161	D	26.3	Very low	27.4	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	74%	0.743	S	S	*	*			trans	-64.4	131.6	166	-67.8	-82.5	0	0	0	111.5
162	D	29.2	Very low	27.2	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	75%	0.749	S	S	*	*				-155.5	160.5	126	-135.5	-22.1	0	0	0	115.3
163	K	27.2	Very low	27.1	Very low	177 Å²	177	138.3 Å²	138.3	77%	0.77	75%	0.754	S	S	*	*			trans	-62.2	150.9	-179.6	-49.6	154.5	-155.1	78.6	0	111.6
164	G	27.1	Very low	27.1	Very low	76 Å²	76	137 Å²	137	78%	0.784	76%	0.756	S	S	*	*			trans	161.9	98.6	154.6	0	0	0	0	0	117.6
165	S	26	Very low	27.1	Very low	86 Å²	86	138.7 Å²	138.7	60%	0.601	76%	0.762	S	S	*	*			trans	-27.6	130.9	157.4	155.1	0	0	0	0	116	F167	S165-F167 PolarHBondContact OG-N 3.35Å
166	L	27.5	Very low	26.9	Very low	164 Å²	164	135 Å²	135	86%	0.859	75%	0.752	S	S	*	*			trans	-117	62.1	135.9	-154.3	86.9	0	0	0	111.6	I168	L166-I168 PolarHBondContact O-N 3.02Å
167	F	26	Very low	26.9	Very low	163 Å²	163	136.8 Å²	136.8	72%	0.715	76%	0.758	S	S	*	*			trans	-54.8	135.6	146.4	-80.3	-107.4	0	0	0	108.4	S165 T169	S165-F167 PolarHBondContact OG-N 3.35Å; F167-T169 WeakPolarHBondContact CB-OG1 3.22Å; F167-T169 PolarHBondContact O-N 3.01Å
168	I	28.3	Very low	26.8	Very low	158 Å²	158	138.3 Å²	138.3	81%	0.81	76%	0.761	S	S	*	*			trans	-79.6	72.9	153.1	-58.7	-176.5	0	0	0	107.3	L166 K170	L166-I168 PolarHBondContact O-N 3.02Å; I168-K170 PolarHBondContact O-N 2.89Å
169	T	24.7	Very low	26.7	Very low	93 Å²	93	133.3 Å²	133.3	57%	0.571	75%	0.75	S	S	*	*			trans	-76.7	101.2	169.6	-40.9	0	0	0	0	108	F167 A171	F167-T169 WeakPolarHBondContact CB-OG1 3.22Å; F167-T169 PolarHBondContact O-N 3.01Å; T169-A171 HydrophobicContact CG2-CB 3.9Å; T169-A171 PolarHBondContact O-N 2.76Å
170	K	27.8	Very low	27	Very low	204 Å²	204	132.7 Å²	132.7	89%	0.887	74%	0.742	S	S	*	*			trans	-74	73.4	153.8	-88.8	-171.2	173.6	177.7	0	109.1	I168	I168-K170 PolarHBondContact O-N 2.89Å
171	A	26	Very low	26.9	Very low	55 Å²	55	130 Å²	130	46%	0.455	72%	0.723	S	S	.	*			trans	-77.5	179.2	153.2	0	0	0	0	0	109.1	T169	T169-A171 HydrophobicContact CG2-CB 3.9Å; T169-A171 PolarHBondContact O-N 2.76Å
172	F	24.5	Very low	27.1	Very low	201 Å²	201	130.5 Å²	130.5	88%	0.882	71%	0.714	S	S	*	*			trans	66.5	118.6	-166.9	-43.8	-75	0	0	0	111.9
173	T	25.4	Very low	27.1	Very low	123 Å²	123	127.5 Å²	127.5	76%	0.755	71%	0.714	S	S	*	*			cis	-138	138.9	4.9	49.3	0	0	0	0	108.9
174	S	23.6	Very low	27.2	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	72%	0.715	S	S	*	*				69.1	60.6	51.2	-171.3	0	0	0	0	115.4
175	T	24.1	Very low	27.3	Very low	140 Å²	140	130.1 Å²	130.1	86%	0.859	72%	0.718	S	S	*	*			trans	-160.2	151	142.9	22.8	0	0	0	0	109.9
176	G	25.2	Very low	27.4	Very low	65 Å²	65	134 Å²	134	67%	0.67	73%	0.731	S	S	*	*			trans	-75.5	-168.1	172.8	0	0	0	0	0	113.8
177	D	25.5	Very low	27.3	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	72%	0.72	S	S	*	*			cis	-148.6	177	12.1	-117.5	-36.8	0	0	0	114.4
178	N	29.7	Very low	27.3	Very low	124 Å²	124	129 Å²	129	66%	0.663	72%	0.722	S	S	*	*			trans	-47.3	151.7	179.9	-41	-79.5	0	0	0	114
179	N	29.3	Very low	27.1	Very low	130 Å²	130	127.1 Å²	127.1	70%	0.695	72%	0.718	S	S	*	*				-159.1	129.4	87.7	-107.4	32.3	0	0	0	112.3
180	E	32	Very low	27.2	Very low	139 Å²	139	131.5 Å²	131.5	65%	0.65	73%	0.725	S	S	*	*				82	142.4	78.7	-72.3	-157.1	132.3	0	0	113.2
181	L	30.2	Very low	27.1	Very low	86 Å²	86	126.3 Å²	126.3	45%	0.45	71%	0.707	S	S	.	*			cis	-158.5	176.5	9.9	-150.1	32	0	0	0	114.7	H70	H70-L181 PolarHBondContact CE1-O 2.72Å
182	Y	30.1	Very low	27.2	Very low	165 Å²	165	129.8 Å²	129.8	65%	0.647	71%	0.713	S	S	*	*			trans	63.1	115.7	161.9	-64.6	-57.9	0	0	0	118.5	H70	H70-Y182 PolarHBondContact CE1-O 2.63Å; H70-Y182 PolarHBondContact ND1-O 3.07Å
183	G	30	Very low	27.3	Very low	66 Å²	66	124.7 Å²	124.7	68%	0.68	70%	0.699	S	S	*	*			cis	80.5	140.2	20.5	0	0	0	0	0	111.7
184	S	29.2	Very low	27.4	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	69%	0.69	S	S	*	*			cis	-145.1	155.6	27.7	-71.7	0	0	0	0	115.7
185	K	27.6	Very low	27.8	Very low	195 Å²	195	122.7 Å²	122.7	85%	0.848	68%	0.675	S	S	*	*			trans	-42.7	149.4	158.9	-55.3	163.9	175.6	175	0	113.9
186	I	27.9	Very low	27.8	Very low	168 Å²	168	121.3 Å²	121.3	86%	0.862	66%	0.662	S	S	*	*				-139.8	132.8	128.2	-58.3	-173.7	0	0	0	108.2
187	P	26.6	Very low	27.8	Very low	98 Å²	98	121 Å²	121	64%	0.636	64%	0.644	S	S	*	*			trans	-107	-164.8	-179.1	41.6	-36	0	0	0	114.2
188	T	25.2	Very low	27.8	Very low	124 Å²	124	123.6 Å²	123.6	76%	0.761	64%	0.643	S	S	*	*			trans	79.6	106.7	161.3	50.4	0	0	0	0	121.3
189	V	24.8	Very low	27.6	Very low	118 Å²	118	122 Å²	122	72%	0.715	64%	0.638	S	S	*	*				30.6	118.2	115.2	-169.3	0	0	0	0	118.2
190	Y	25.8	Very low	27.5	Very low	184 Å²	184	120.8 Å²	120.8	72%	0.722	64%	0.64	S	S	*	*				-164.7	157.3	108.2	-120.5	-84.7	0	0	0	114.3
191	D	25.8	Very low	27.3	Very low	96 Å²	96	119 Å²	119	51%	0.513	64%	0.639	S	S	.	*			trans	-76.8	151.4	174	163.8	51.7	0	0	0	112.6
192	H	28.2	Very low	27.2	Very low	127 Å²	127	120.8 Å²	120.8	59%	0.588	65%	0.653	S	S	*	*			trans	176.1	129.1	132.6	-96.4	10.5	0	0	0	116.6
193	T	28	Very low	27.1	Very low	94 Å²	94	119.4 Å²	119.4	58%	0.577	65%	0.646	S	S	*	*			trans	64.7	140.8	145.2	59.2	0	0	0	0	122.6
194	Q	26.2	Very low	26.9	Very low	121 Å²	121	120.1 Å²	120.1	57%	0.565	65%	0.646	S	S	*	*			trans	-79.8	-161.2	167.1	-48.1	169.5	18.5	0	0	110.6	Q1491	Q194-Q1491 VanDerWaalsContact N-OE1 3.1Å
195	P	31.5	Very low	26.9	Very low	74 Å²	74	117.1 Å²	117.1	48%	0.481	63%	0.633	S	S	.	*			cis	-140.4	-163.1	-6.9	31.7	-6	0	0	0	115.2
196	L	24.5	Very low	26.9	Very low	111 Å²	111	112 Å²	112	58%	0.581	62%	0.618	S	S	*	*			trans	76.1	126.3	173.7	-79.6	70.9	0	0	0	115.9
197	N	25.1	Very low	27.1	Very low	58 Å²	58	114 Å²	114	31%	0.31	62%	0.621	S	S	.	*			cis	101.5	146	26.4	-173.9	36.1	0	0	0	113.4	V1485 H1487	N197-V1485 WeakPolarHBondContact OD1-CG1 3.21Å; N197-H1487 HydrophobicContact CB-CB 4.16Å; N197-H1487 WeakPolarHBondContact ND2-CB 3.49Å
198	R	25.5	Very low	27.2	Very low	203 Å²	203	119.9 Å²	119.9	77%	0.766	63%	0.63	S	S	*	*			trans	80.7	115.2	-174.9	-56.3	-177.9	176.6	-176.6	-1.7	114.6
199	T	25.6	Very low	27.6	Very low	91 Å²	91	119.1 Å²	119.1	56%	0.558	63%	0.627	S	S	*	*			cis	98.7	149.1	21.1	76.6	0	0	0	0	115.7	V1485	T199-V1485 HydrophobicContact CG2-CG2 3.66Å
200	S	27	Very low	27.9	Very low	105 Å²	105	121.1 Å²	121.1	73%	0.734	63%	0.628	S	S	*	*			trans	77.5	146	170.9	-65.7	0	0	0	0	118.1
201	T	28.3	Very low	28.1	Very low	102 Å²	102	114.9 Å²	114.9	63%	0.626	61%	0.612	S	S	*	*			cis	169.1	143	-35.8	33.4	0	0	0	0	108.5
202	V	28.6	Very low	28	Very low	123 Å²	123	116.2 Å²	116.2	75%	0.745	62%	0.624	S	S	*	*			trans	148.2	151.4	157.8	158.1	0	0	0	0	111.8
203	R	26.7	Very low	27.9	Very low	135 Å²	135	114.2 Å²	114.2	51%	0.509	63%	0.629	S	S	.	*				-163.1	-97.5	-63.2	-99.7	170.9	-161.2	169.5	7.1	116.6	S220 D221	R203-S220 WeakPolarHBondContact CA-OG 3.44Å; R203-S220 WeakPolarHBondContact O-CB 3.09Å; R203-S220 PolarHBondContact O-OG 3.19Å; R203-D221 HydrophobicContact CB-CB 3.75Å; R203-D221 WeakPolarHBondContact CB-OD2 3.03Å; R203-D221 WeakPolarHBondContact CD-OD1 3.08Å; R203-D221 WeakPolarHBondContact CD-OD2 3.36Å; R203-D221 HydrophobicContact CG-CB 4.45Å; R203-D221 IonicContact CZ-OD1 3.31Å; R203-D221 IonicContact NE-OD1 3.02Å; R203-D221 IonicContact NH1-OD1 2.84Å; R203-D221 PolarHBondContact NH1-OD1 3.41Å; R203-D221 IonicContact NH1-OD2 3.84Å
204	A	27.2	Very low	27.8	Very low	81 Å²	81	118.3 Å²	118.3	67%	0.669	65%	0.646	S	S	*	*			trans	-31.7	150.2	-144.6	0	0	0	0	0	122.1	S220 D221	A204-S220 VanDerWaalsContact C-CB 3.4Å; A204-D221 HydrophobicContact CB-CB 4.32Å
205	G	29.5	Very low	27.9	Very low	52 Å²	52	118.7 Å²	118.7	54%	0.536	66%	0.661	S	S	.	*			cis	-170.6	147.5	-2.8	0	0	0	0	0	114.2	Y219	G205-Y219 CarbonylContact C-O 3.46Å; G205-Y219 WeakPolarHBondContact CA-O 3.38Å; G205-Y219 PolarHBondContact N-O 3.19Å
206	V	27.5	Very low	27.6	Very low	87 Å²	87	125.2 Å²	125.2	53%	0.527	68%	0.678	S	S	.	*			trans	-101.9	145.7	-161.8	-167	0	0	0	0	116.9	Y219 S220	V206-Y219 WeakPolarHBondContact CG2-O 3.26Å; V206-Y219 PolarHBondContact N-O 3.29Å; V206-S220 VanDerWaalsContact CG2-N 3.33Å
207	K	30.6	Very low	27.8	Very low	210 Å²	210	125.6 Å²	125.6	91%	0.913	69%	0.685	S	S	*	*			trans	-166.1	156.7	137.9	-106.9	148.4	-170.2	171.2	0	117.8
208	R	29.3	Very low	28	Very low	222 Å²	222	128.3 Å²	128.3	84%	0.838	70%	0.695	S	S	*	*			trans	-92.2	173.2	-177	-102.6	174.2	-175.1	159.4	-0.6	111.5
209	P	34.8	Very low	28.1	Very low	108 Å²	108	125.8 Å²	125.8	70%	0.701	69%	0.687	S	S	*	*			cis	-152	175.6	45.7	37.1	-12.4	0	0	0	120.9
210	H	30.4	Very low	28.3	Very low	159 Å²	159	123.6 Å²	123.6	74%	0.736	68%	0.675	S	S	*	*			trans	9.2	139	155.6	-44.7	-61.6	0	0	0	119.5
211	S	29.4	Very low	28.5	Very low	54 Å²	54	122 Å²	122	38%	0.378	66%	0.658	S	S	.	*			cis	-166.6	158.5	33.9	60.5	0	0	0	0	110.8	Q1374	S211-Q1374 PolarHBondContact O-NE2 2.9Å; S211-Q1374 PolarHBondContact OG-NE2 3.45Å; S211-Q1374 PolarHBondContact OG-OE1 3.36Å; S211-Q1374 VanDerWaalsContact OG-OE1 3.11Å
212	T	25	Very low	28.7	Very low	124 Å²	124	120.2 Å²	120.2	76%	0.761	66%	0.661	S	S	*	*	S	Bend	cis	-153.8	69.4	-13.3	13.8	0	0	0	0	108.3
213	A	25.8	Very low	28.6	Very low	85 Å²	85	118.4 Å²	118.4	70%	0.702	67%	0.667	S	S	*	*	S	Bend	trans	-142.7	-175.7	179	0	0	0	0	0	110.5	C215	A213-C215 PolarHBondContact O-N 2.84Å
214	L	25.3	Very low	28.8	Very low	179 Å²	179	119.3 Å²	119.3	94%	0.937	68%	0.682	S	S	*	*			trans	-46.9	122.9	172.6	-69.3	158.7	0	0	0	112.4
215	C	28.1	Very low	29	Very low	129 Å²	129	119.9 Å²	119.9	87%	0.872	68%	0.679	S	S	*	*			trans	-165.2	154.1	156.1	-131.7	0	0	0	0	114.1	A213	A213-C215 PolarHBondContact O-N 2.84Å
216	Y	25.5	Very low	28.7	Very low	212 Å²	212	125 Å²	125	83%	0.831	69%	0.693	S	S	*	*			trans	-111.5	-175.2	-177.8	-121.8	-115.8	0	0	0	110.9
217	T	28.1	Very low	29	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	71%	0.71	S	S	*	*			trans	75	153	164.9	77.4	0	0	0	0	118.5
218	H	30	Very low	28.8	Very low	115 Å²	115	127.3 Å²	127.3	53%	0.532	70%	0.703	S	S	.	*			cis	-157.3	158	-27.8	-116	-65.4	0	0	0	114
219	Y	27.7	Very low	28.7	Very low	150 Å²	150	122.7 Å²	122.7	59%	0.588	70%	0.702	S	S	*	*			trans	58.2	113	148	-73.7	-50.2	0	0	0	126.2	G205 V206	G205-Y219 CarbonylContact C-O 3.46Å; G205-Y219 WeakPolarHBondContact CA-O 3.38Å; G205-Y219 PolarHBondContact N-O 3.19Å; V206-Y219 WeakPolarHBondContact CG2-O 3.26Å; V206-Y219 PolarHBondContact N-O 3.29Å
220	S	29.5	Very low	28.4	Very low	46 Å²	46	123.6 Å²	123.6	32%	0.322	70%	0.7	S	S	.	*				96	179.3	116.2	-63.9	0	0	0	0	127.3	R203 A204 V206	R203-S220 WeakPolarHBondContact CA-OG 3.44Å; R203-S220 WeakPolarHBondContact O-CB 3.09Å; R203-S220 PolarHBondContact O-OG 3.19Å; A204-S220 VanDerWaalsContact C-CB 3.4Å; V206-S220 VanDerWaalsContact CG2-N 3.33Å
221	D	30.3	Very low	28.4	Very low	70 Å²	70	122 Å²	122	37%	0.374	71%	0.707	S	S	.	*			trans	-38.7	162.4	-163.5	-104.1	-18.1	0	0	0	121.1	R203 A204	R203-D221 HydrophobicContact CB-CB 3.75Å; R203-D221 WeakPolarHBondContact CB-OD2 3.03Å; R203-D221 WeakPolarHBondContact CD-OD1 3.08Å; R203-D221 WeakPolarHBondContact CD-OD2 3.36Å; R203-D221 HydrophobicContact CG-CB 4.45Å; R203-D221 IonicContact CZ-OD1 3.31Å; R203-D221 IonicContact NE-OD1 3.02Å; R203-D221 IonicContact NH1-OD1 2.84Å; R203-D221 PolarHBondContact NH1-OD1 3.41Å; R203-D221 IonicContact NH1-OD2 3.84Å; A204-D221 HydrophobicContact CB-CB 4.32Å
222	G	32.9	Very low	28.4	Very low	66 Å²	66	123.3 Å²	123.3	68%	0.68	72%	0.72	S	S	*	*			cis	172.4	174	0.6	0	0	0	0	0	113.8
223	G	27.4	Very low	28.7	Very low	85 Å²	85	123.4 Å²	123.4	88%	0.876	72%	0.723	S	S	*	*			trans	102.1	149	174.4	0	0	0	0	0	116.8
224	D	30.2	Very low	28.9	Very low	154 Å²	154	127.7 Å²	127.7	82%	0.824	73%	0.726	S	S	*	*			trans	-94.7	178.1	175.2	-140.6	24.3	0	0	0	109.5
225	P	31.2	Very low	29.1	Very low	93 Å²	93	130.4 Å²	130.4	60%	0.604	72%	0.724	S	S	*	*			cis	-137.1	-177.3	0.7	44.3	-26.7	0	0	0	116.4
226	L	24.5	Very low	29.2	Very low	159 Å²	159	130.1 Å²	130.1	83%	0.832	71%	0.713	S	S	*	*			trans	4.3	110.8	147.4	-64.1	163.4	0	0	0	118.3
227	T	32.5	Very low	29.4	Very low	145 Å²	145	125.3 Å²	125.3	89%	0.89	70%	0.701	S	S	*	*			trans	-158.2	131.3	140	-1.1	0	0	0	0	112.5
228	R	26.9	Very low	29.5	Very low	200 Å²	200	127.7 Å²	127.7	76%	0.755	70%	0.703	S	S	*	*			trans	-89.3	164.6	175.3	-132.4	-173.4	-166.1	179.6	7.4	109
229	P	28	Very low	29.5	Very low	125 Å²	125	128.5 Å²	128.5	81%	0.812	71%	0.707	S	S	*	*				-142.5	157.2	70.6	35.2	-16.6	0	0	0	116.6
230	L	26.8	Very low	29.5	Very low	128 Å²	128	127.4 Å²	127.4	67%	0.67	71%	0.709	S	S	*	*			trans	-80.6	160.3	162.4	-64.4	170.3	0	0	0	110.3
231	S	30.5	Very low	29.5	Very low	126 Å²	126	132.9 Å²	132.9	88%	0.881	73%	0.73	S	S	*	*			trans	-143.9	144.9	141.5	53.9	0	0	0	0	110.3
232	A	30	Very low	29.5	Very low	80 Å²	80	135.2 Å²	135.2	66%	0.661	75%	0.746	S	S	*	*			trans	-135.4	-172.9	-172.5	0	0	0	0	0	109.8
233	P	30.6	Very low	29.2	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	75%	0.75	S	S	*	*				-125.9	123.1	113.8	34	-29.1	0	0	0	111
234	K	30.9	Very low	29.3	Very low	174 Å²	174	137.9 Å²	137.9	76%	0.757	74%	0.741	S	S	*	*				70	100.8	59.8	-80.4	-160.8	169.1	-171.1	0	115.4
235	R	30.3	Very low	29.2	Very low	236 Å²	236	137.1 Å²	137.1	89%	0.891	74%	0.737	S	S	*	*			trans	-166.7	86.9	130.4	-99.8	155.4	-173.9	-175.7	1.4	107.4
236	L	28.8	Very low	29.2	Very low	123 Å²	123	140.8 Å²	140.8	64%	0.644	75%	0.75	S	S	*	*				85.5	110.8	87.1	-74.9	170.8	0	0	0	110.9
237	I	31.1	Very low	29.4	Very low	111 Å²	111	140.5 Å²	140.5	57%	0.569	75%	0.749	S	S	*	*				85.2	150.2	72	-80.2	-169.1	0	0	0	111
238	E	29.4	Very low	29.1	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	74%	0.743	S	S	*	*			cis	-112.2	163.4	8.9	-97.5	98.6	-143.8	0	0	111.9
239	E	30.4	Very low	29.4	Very low	132 Å²	132	136.7 Å²	136.7	62%	0.617	75%	0.745	S	S	*	*			cis	77.6	144.9	33.3	-60.7	-163.4	167.6	0	0	115
240	M	28	Very low	29.3	Very low	127 Å²	127	138.3 Å²	138.3	63%	0.626	75%	0.747	S	S	*	*			cis	-168.8	-178	-11.5	-112	-172	-171.8	0	0	110.1
241	H	29.3	Very low	29.4	Very low	162 Å²	162	137.6 Å²	137.6	75%	0.75	75%	0.749	S	S	*	*			trans	86	154.6	152.3	-58.9	117.3	0	0	0	121
242	V	29.6	Very low	29.3	Very low	119 Å²	119	136.7 Å²	136.7	72%	0.721	74%	0.743	S	S	*	*			cis	175.8	161.8	-43.1	132.1	0	0	0	0	109.9
243	S	27.2	Very low	29.5	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	74%	0.742	S	S	*	*			trans	75.1	150.2	165.1	-77.1	0	0	0	0	118.4
244	S	28.4	Very low	29.5	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	74%	0.741	S	S	*	*			cis	-162.6	166.8	-12.8	45.5	0	0	0	0	112.2
245	D	28	Very low	29.4	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	74%	0.742	S	S	*	*			trans	-30.2	151.8	174.9	-51.7	-85.5	0	0	0	119.6
246	L	32.7	Very low	29.3	Very low	171 Å²	171	132.1 Å²	132.1	90%	0.895	74%	0.737	S	S	*	*				-166.7	129.2	110.1	-102.6	164.7	0	0	0	112.7
247	N	27.5	Very low	29.5	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	75%	0.746	S	S	*	*			trans	-95.9	133	169.2	-76.4	-77.6	0	0	0	110.3
248	S	26.9	Very low	29.3	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	76%	0.757	S	S	*	*			trans	-173.7	165.4	145	57.5	0	0	0	0	112.9
249	I	31.9	Very low	29.1	Very low	158 Å²	158	131.6 Å²	131.6	81%	0.81	76%	0.755	S	S	*	*			trans	78.9	94.8	166	-51.3	175.3	0	0	0	117
250	L	26.8	Very low	29	Very low	160 Å²	160	130 Å²	130	84%	0.838	76%	0.758	S	S	*	*			trans	-69.8	164.9	147.2	-90.8	75.2	0	0	0	110.1
251	P	30	Very low	29.1	Very low	112 Å²	112	129 Å²	129	73%	0.727	76%	0.759	S	S	*	*			cis	-138.8	161.6	20.1	40.4	-22.3	0	0	0	118.4
252	S	27.3	Very low	29.1	Very low	107 Å²	107	130 Å²	130	75%	0.748	76%	0.761	S	S	*	*				16.1	152	129.6	-160.9	0	0	0	0	121.6
253	P	34	Very low	29.2	Very low	99 Å²	99	133.4 Å²	133.4	64%	0.643	77%	0.767	S	S	*	*			cis	-129.1	177.9	-30	32.1	-12.1	0	0	0	113.2
254	D	31.1	Very low	29.4	Very low	149 Å²	149	132.6 Å²	132.6	80%	0.797	76%	0.761	S	S	*	*				172.5	166.1	124.4	-89	-3.7	0	0	0	112.1
255	D	27.8	Very low	29.7	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	77%	0.771	S	S	*	*			trans	-79.9	129.9	-156	-63.8	-58	0	0	0	116.7
256	T	30.1	Very low	30.1	Very low	127 Å²	127	135 Å²	135	78%	0.779	77%	0.771	S	S	*	*				-179.2	114.8	120.8	21.9	0	0	0	0	111.4	I258	T256-I258 PolarHBondContact O-N 3.16Å
257	P	31.3	Very low	30.4	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	76%	0.756	S	S	*	*			trans	-82.1	99.3	-178.4	31.4	-33.5	0	0	0	112.3	S259	P257-S259 PolarHBondContact O-N 3.03Å; P257-S259 VanDerWaalsContact O-N 3.14Å
258	I	27.3	Very low	31.3	Very low	156 Å²	156	129.4 Å²	129.4	80%	0.8	75%	0.747	S	S	*	*			trans	-62.1	112.1	159.1	-60.6	173.4	0	0	0	107.6	T256 S260	T256-I258 PolarHBondContact O-N 3.16Å; I258-S260 VanDerWaalsContact C-N 3.26Å; I258-S260 PolarHBondContact O-N 2.8Å
259	S	26.3	Very low	32.3	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	74%	0.738	S	S	*	*			trans	-74.2	77.1	-179.6	47.5	0	0	0	0	111.5	P257 V261	P257-S259 PolarHBondContact O-N 3.03Å; P257-S259 VanDerWaalsContact O-N 3.14Å; S259-V261 VanDerWaalsContact C-N 3.34Å; S259-V261 PolarHBondContact O-N 3.14Å
260	S	28.3	Very low	32.8	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	72%	0.719	S	S	*	*			trans	-62.2	91.2	170.8	52.9	0	0	0	0	110.9	I258 K262	I258-S260 VanDerWaalsContact C-N 3.26Å; I258-S260 PolarHBondContact O-N 2.8Å; S260-K262 PolarHBondContact O-N 3.17Å
261	V	29.5	Very low	33.9	Very low	106 Å²	106	119.6 Å²	119.6	64%	0.642	70%	0.699	S	S	*	*			trans	-65.7	98.1	177.9	180	0	0	0	0	109.2	S259 F263	S259-V261 VanDerWaalsContact C-N 3.34Å; S259-V261 PolarHBondContact O-N 3.14Å; V261-F263 HydrophobicContact CG1-CD2 4.43Å; V261-F263 HydrophobicContact CG1-CE2 4.33Å; V261-F263 WeakPolarHBondContact O-CD2 3.28Å; V261-F263 PolarHBondContact O-N 3.34Å; V261-F263 VanDerWaalsContact O-N 3.12Å
262	K	30.1	Very low	35	Very low	183 Å²	183	121.9 Å²	121.9	80%	0.796	70%	0.697	S	S	*	*			trans	-66.8	108	166	-73.4	-176.5	177	178.5	0	108.3	S260 S264	S260-K262 PolarHBondContact O-N 3.17Å; K262-S264 PolarHBondContact O-N 3.17Å
263	F	30	Very low	36.1	Very low	191 Å²	191	119 Å²	119	84%	0.838	68%	0.678	S	S	*	*			trans	-67.7	79.8	171.2	-78.3	-90.5	0	0	0	110.9	V261 N265	V261-F263 HydrophobicContact CG1-CD2 4.43Å; V261-F263 HydrophobicContact CG1-CE2 4.33Å; V261-F263 WeakPolarHBondContact O-CD2 3.28Å; V261-F263 PolarHBondContact O-N 3.34Å; V261-F263 VanDerWaalsContact O-N 3.12Å; F263-N265 PolarHBondContact O-N 3.19Å
264	S	32.7	Very low	36.7	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	68%	0.68	S	S	*	*			trans	-70.6	110.7	163.7	49.8	0	0	0	0	108.8	K262 T266	K262-S264 PolarHBondContact O-N 3.17Å; S264-T266 PolarHBondContact O-N 2.74Å
265	N	35	Very low	37.6	Very low	167 Å²	167	116.3 Å²	116.3	89%	0.893	66%	0.661	S	S	*	*	S	Bend	trans	-77	56.6	-167.8	-164	9.1	0	0	0	113.4	F263	F263-N265 PolarHBondContact O-N 3.19Å
266	T	35.8	Very low	38.6	Very low	120 Å²	120	109.8 Å²	109.8	74%	0.736	63%	0.626	S	S	*	*			trans	-148.3	44.1	-170.6	58	0	0	0	0	112.6	S264	S264-T266 PolarHBondContact O-N 2.74Å
267	N	39	Very low	39.5	Very low	111 Å²	111	105 Å²	105	59%	0.594	60%	0.599	S	S	*	*			trans	-102	114.2	174.1	-172.5	-2.4	0	0	0	111.1	D269	N267-D269 PolarHBondContact O-N 3.34Å; N267-D269 WeakPolarHBondContact OD1-CB 3.46Å; N267-D269 PolarHBondContact OD1-N 3.02Å
268	P	46.1	Very low	40.3	Very low	95 Å²	95	101.7 Å²	101.7	62%	0.617	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-13.1	177.1	31.6	-36.2	0	0	0	114	R540	P268-R540 PolarHBondContact O-NH2 3.12Å
269	D	47.5	Very low	41.4	Very low	105 Å²	105	94.4 Å²	94.4	56%	0.561	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	8.3	-172.2	-65.1	-49.4	0	0	0	115	N267 R540	N267-D269 PolarHBondContact O-N 3.34Å; N267-D269 WeakPolarHBondContact OD1-CB 3.46Å; N267-D269 PolarHBondContact OD1-N 3.02Å; D269-R540 VanDerWaalsContact C-NH2 3.3Å; D269-R540 PolarHBondContact O-NH1 2.75Å; D269-R540 PolarHBondContact O-NH2 2.88Å; D269-R540 IonicContact OD1-NE 2.63Å
270	A	43.4	Very low	42.5	Very low	49 Å²	49	91.5 Å²	91.5	41%	0.405	52%	0.519	S	S	.	.	S	Bend	trans	-66	143	169	0	0	0	0	0	111.8	R540	A270-R540 PolarHBondContact O-NH1 3.05Å; A270-R540 PolarHBondContact O-NH2 3.18Å
271	P	48.7	Very low	43.2	Very low	64 Å²	64	87.6 Å²	87.6	42%	0.416	49%	0.492	S	S	.	.			trans	-67.9	144.3	169.7	29.6	-34.1	0	0	0	110.7	E276 A277	P271-E276 WeakPolarHBondContact CA-OE2 3.13Å; P271-E276 HydrophobicContact CB-CB 4.02Å; P271-E276 HydrophobicContact CB-CG 3.91Å; P271-A277 HydrophobicContact CB-CB 4.13Å; P271-A277 HydrophobicContact CG-CB 3.97Å
272	K	53.9	Low	44	Very low	160 Å²	160	88.8 Å²	88.8	70%	0.696	50%	0.5	S	S	*	.			trans	-110.1	-11.3	-172.7	-65.8	170.8	-174.6	163.5	0	113.4	E276	K272-E276 PolarHBondContact N-OE2 3.12Å
273	S	50.1	Low	44.1	Very low	48 Å²	48	83.3 Å²	83.3	34%	0.336	49%	0.485	S	S	.	.	S	Bend	trans	-130.6	156.9	171.1	79.6	0	0	0	0	111.3	L275 E276 A277	S273-L275 PolarHBondContact O-N 2.87Å; S273-E276 WeakPolarHBondContact O-CB 3.33Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact O-N 3.16Å; S273-E276 WeakPolarHBondContact OG-CB 3.25Å; S273-E276 PolarHBondContact OG-N 3.41Å; S273-A277 PolarHBondContact O-N 3.46Å
274	T	46.7	Very low	44.2	Very low	112 Å²	112	78.1 Å²	78.1	69%	0.687	47%	0.47	S	S	*	.	H	α-helix	trans	-60.5	-34.3	175.2	-42.7	0	0	0	0	111.6	A277 L278	T274-A277 PolarHBondContact O-N 3.12Å; T274-L278 HydrophobicContact CG2-CD1 4.18Å; T274-L278 WeakPolarHBondContact O-CB 3.44Å; T274-L278 VanDerWaalsContact O-CG 3.25Å; T274-L278 WeakPolarHBondContact O-CG 3.29Å; T274-L278 PolarHBondContact O-N 2.82Å
275	L	49.4	Very low	44.2	Very low	78 Å²	78	77.8 Å²	77.8	41%	0.408	46%	0.461	S	S	.	.	H	α-helix	trans	-65.8	-43.8	174.8	-174.1	67.4	0	0	0	111.4	S273 A277 L278 V279 I406	S273-L275 PolarHBondContact O-N 2.87Å; L275-A277 VanDerWaalsContact C-N 3.3Å; L275-A277 PolarHBondContact O-N 2.83Å; L275-L278 PolarHBondContact O-N 2.87Å; L275-V279 HydrophobicContact CD1-CG2 4.22Å; L275-V279 WeakPolarHBondContact O-CG2 3.42Å; L275-V279 PolarHBondContact O-N 3.26Å; L275-I406 HydrophobicContact CD1-CG2 4.15Å
276	E	48.5	Very low	44.1	Very low	10 Å²	10	75 Å²	75	5%	0.047	45%	0.45	C	S	.	.	H	α-helix	trans	-62.6	-38.6	176.4	-165.6	-176.4	-178.8	0	0	111.4	P271 K272 S273 A280 R540	P271-E276 WeakPolarHBondContact CA-OE2 3.13Å; P271-E276 HydrophobicContact CB-CB 4.02Å; P271-E276 HydrophobicContact CB-CG 3.91Å; K272-E276 PolarHBondContact N-OE2 3.12Å; S273-E276 WeakPolarHBondContact O-CB 3.33Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact O-N 3.16Å; S273-E276 WeakPolarHBondContact OG-CB 3.25Å; S273-E276 PolarHBondContact OG-N 3.41Å; E276-A280 WeakPolarHBondContact O-CB 3.37Å; E276-A280 PolarHBondContact O-N 3.28Å; E276-R540 IonicContact OE1-CZ 2.84Å; E276-R540 IonicContact OE1-NH1 3.52Å; E276-R540 PolarHBondContact OE1-NH1 3.26Å
277	A	49.2	Very low	43.9	Very low	26 Å²	26	76.9 Å²	76.9	22%	0.215	45%	0.448	C	S	.	.	H	α-helix	trans	-66	-46.8	174.1	0	0	0	0	0	112.8	P271 S273 T274 L275 V279 S281	P271-A277 HydrophobicContact CB-CB 4.13Å; P271-A277 HydrophobicContact CG-CB 3.97Å; S273-A277 PolarHBondContact O-N 3.46Å; T274-A277 PolarHBondContact O-N 3.12Å; L275-A277 VanDerWaalsContact C-N 3.3Å; L275-A277 PolarHBondContact O-N 2.83Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.86Å; A277-S281 WeakPolarHBondContact O-CB 3.49Å; A277-S281 PolarHBondContact O-N 3.45Å; A277-S281 VanDerWaalsContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.39Å
278	L	49	Very low	43.4	Very low	60 Å²	60	79.7 Å²	79.7	31%	0.314	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-31.8	178.7	-76.5	166.8	0	0	0	113.3	T274 L275 S281	T274-L278 HydrophobicContact CG2-CD1 4.18Å; T274-L278 WeakPolarHBondContact O-CB 3.44Å; T274-L278 VanDerWaalsContact O-CG 3.25Å; T274-L278 WeakPolarHBondContact O-CG 3.29Å; T274-L278 PolarHBondContact O-N 2.82Å; L275-L278 PolarHBondContact O-N 2.87Å; L278-S281 PolarHBondContact O-OG 2.88Å
279	V	51	Low	42.6	Very low	2 Å²	2	80 Å²	80	1%	0.012	46%	0.458	C	S	.	.	H	α-helix	trans	-91.9	-30.3	-178.8	-175.3	0	0	0	0	112.2	L275 A277 S281 I406 R407 Y465	L275-V279 HydrophobicContact CD1-CG2 4.22Å; L275-V279 WeakPolarHBondContact O-CG2 3.42Å; L275-V279 PolarHBondContact O-N 3.26Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.86Å; V279-S281 VanDerWaalsContact C-N 3.29Å; V279-S281 PolarHBondContact O-N 3.49Å; V279-I406 HydrophobicContact CG2-CG2 3.55Å; V279-R407 HydrophobicContact CG1-CG 3.69Å; V279-R407 PolarHBondContact O-NE 3.48Å; V279-R407 PolarHBondContact O-NH2 3.45Å; V279-Y465 HydrophobicContact CB-CE2 4.1Å; V279-Y465 HydrophobicContact CG1-CE2 3.56Å; V279-Y465 WeakPolarHBondContact CG1-OH 3.46Å; V279-Y465 HydrophobicContact CG2-CE2 4.44Å
280	A	49.7	Very low	41.7	Very low	45 Å²	45	82.9 Å²	82.9	37%	0.372	47%	0.467	S	S	.	.	H	α-helix	trans	-70.7	-21.8	171	0	0	0	0	0	113.2	E276 T282 L542	E276-A280 WeakPolarHBondContact O-CB 3.37Å; E276-A280 PolarHBondContact O-N 3.28Å; A280-T282 PolarHBondContact O-N 2.89Å; A280-L542 HydrophobicContact CB-CD1 4.23Å; A280-L542 HydrophobicContact CB-CD2 4.37Å
281	S	42.9	Very low	41	Very low	17 Å²	17	88.8 Å²	88.8	12%	0.119	49%	0.487	C	S	.	.			trans	-70.7	111.8	177.5	61.9	0	0	0	0	112.4	A277 L278 V279 S283 L285 R407	A277-S281 WeakPolarHBondContact O-CB 3.49Å; A277-S281 PolarHBondContact O-N 3.45Å; A277-S281 VanDerWaalsContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.39Å; L278-S281 PolarHBondContact O-OG 2.88Å; V279-S281 VanDerWaalsContact C-N 3.29Å; V279-S281 PolarHBondContact O-N 3.49Å; S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 WeakPolarHBondContact CB-O 3.24Å; S281-L285 VanDerWaalsContact CB-CD1 3.46Å; S281-R407 PolarHBondContact O-NH2 2.71Å
282	T	44.8	Very low	39.9	Very low	131 Å²	131	93.3 Å²	93.3	80%	0.804	50%	0.5	S	S	*	.	S	Bend	trans	-82.9	-2.5	168.9	49.2	0	0	0	0	113.3	A280	A280-T282 PolarHBondContact O-N 2.89Å
283	S	33.6	Very low	38.7	Very low	69 Å²	69	90 Å²	90	48%	0.483	50%	0.495	S	S	.	.	S	Bend	trans	-117.2	152.5	174.4	-53.1	0	0	0	0	109.9	S281 L285	S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 WeakPolarHBondContact CB-O 3.24Å; S283-L285 VanDerWaalsContact C-N 3.35Å; S283-L285 PolarHBondContact O-N 3.47Å
284	P	31.4	Very low	37.7	Very low	82 Å²	82	94.7 Å²	94.7	53%	0.532	52%	0.515	S	S	.	.			trans	-66.2	94.2	166.4	29.3	-33.9	0	0	0	108.6	T286 A396	P284-T286 PolarHBondContact O-N 3.27Å; P284-A396 HydrophobicContact CB-CB 4.21Å; P284-A396 HydrophobicContact CG-CB 4.01Å
285	L	33.3	Very low	36.9	Very low	83 Å²	83	96.2 Å²	96.2	44%	0.435	52%	0.518	S	S	.	.			trans	-79.9	124.1	-171	-90.6	173.8	0	0	0	112.3	S281 S283 F287	S281-L285 VanDerWaalsContact CB-CD1 3.46Å; S283-L285 VanDerWaalsContact C-N 3.35Å; S283-L285 PolarHBondContact O-N 3.47Å; L285-F287 HydrophobicContact CB-CD2 3.75Å; L285-F287 HydrophobicContact CB-CE2 4.05Å; L285-F287 HydrophobicContact CB-CG 4.48Å; L285-F287 HydrophobicContact CD1-CD2 4.05Å; L285-F287 HydrophobicContact CD1-CE2 3.47Å; L285-F287 VanDerWaalsContact CD1-CE2 3.47Å; L285-F287 HydrophobicContact CD1-CZ 4.23Å; L285-F287 HydrophobicContact CD2-CE2 4.37Å; L285-F287 HydrophobicContact CG-CD2 4.38Å; L285-F287 HydrophobicContact CG-CE2 4.17Å; L285-F287 PolarHBondContact O-N 3.07Å
286	T	33.1	Very low	36	Very low	108 Å²	108	97.4 Å²	97.4	66%	0.663	53%	0.534	S	S	*	.			trans	-71.8	52.1	177	44	0	0	0	0	112.6	P284 F288	P284-T286 PolarHBondContact O-N 3.27Å; T286-F288 VanDerWaalsContact C-N 3.33Å
287	F	31	Very low	35.3	Very low	160 Å²	160	105.3 Å²	105.3	70%	0.702	57%	0.571	S	S	*	*			trans	-87.5	5.7	178.6	-79	-46.4	0	0	0	114.7	L285	L285-F287 HydrophobicContact CB-CD2 3.75Å; L285-F287 HydrophobicContact CB-CE2 4.05Å; L285-F287 HydrophobicContact CB-CG 4.48Å; L285-F287 HydrophobicContact CD1-CD2 4.05Å; L285-F287 HydrophobicContact CD1-CE2 3.47Å; L285-F287 VanDerWaalsContact CD1-CE2 3.47Å; L285-F287 HydrophobicContact CD1-CZ 4.23Å; L285-F287 HydrophobicContact CD2-CE2 4.37Å; L285-F287 HydrophobicContact CG-CD2 4.38Å; L285-F287 HydrophobicContact CG-CE2 4.17Å; L285-F287 PolarHBondContact O-N 3.07Å
288	F	27.8	Very low	34.4	Very low	170 Å²	170	109.8 Å²	109.8	75%	0.746	60%	0.599	S	S	*	*	S	Bend	trans	-85.4	133.3	151.3	-69.9	-78.7	0	0	0	108.5	T286 H290	T286-F288 VanDerWaalsContact C-N 3.33Å; F288-H290 PolarHBondContact O-N 2.94Å
289	P	29.2	Very low	33.6	Very low	102 Å²	102	114.5 Å²	114.5	66%	0.662	62%	0.624	S	S	*	*			trans	-65.4	109.3	173.3	27.1	-32.6	0	0	0	109.3	E291	P289-E291 PolarHBondContact O-N 2.85Å
290	H	28.3	Very low	32.9	Very low	165 Å²	165	123.5 Å²	123.5	76%	0.764	67%	0.666	S	S	*	*	S	Bend	trans	-71.9	40.3	172.9	-100.1	-90.7	0	0	0	112.2	F288	F288-H290 PolarHBondContact O-N 2.94Å
291	E	29.2	Very low	32.2	Very low	173 Å²	173	129.5 Å²	129.5	81%	0.808	68%	0.684	S	S	*	*			trans	-152.7	53.2	-170.6	-113.7	167.6	-121.6	0	0	110.9	P289 P293	P289-E291 PolarHBondContact O-N 2.85Å; E291-P293 VanDerWaalsContact O-CD 3.28Å; E291-P293 WeakPolarHBondContact O-CD 3.27Å
292	F	25.4	Very low	31.4	Very low	159 Å²	159	137.3 Å²	137.3	70%	0.697	72%	0.716	S	S	*	*			trans	-82.6	106.3	142.6	-88.3	-74.7	0	0	0	106.8	I294	F292-I294 PolarHBondContact O-N 3.34Å
293	P	29.9	Very low	30.8	Very low	91 Å²	91	136.1 Å²	136.1	59%	0.591	71%	0.71	S	S	*	*			trans	-64.7	112.4	169	27.7	-32.7	0	0	0	108	E291 D295	E291-P293 VanDerWaalsContact O-CD 3.28Å; E291-P293 WeakPolarHBondContact O-CD 3.27Å; P293-D295 PolarHBondContact O-N 2.69Å
294	I	29	Very low	30.5	Very low	146 Å²	146	140.8 Å²	140.8	75%	0.749	73%	0.725	S	S	*	*			trans	-79	80.3	165.2	-55.2	-179.8	0	0	0	105.7	F292 S296	F292-I294 PolarHBondContact O-N 3.34Å; I294-S296 VanDerWaalsContact C-N 3.26Å; I294-S296 PolarHBondContact O-N 3.4Å; I294-S296 PolarHBondContact O-OG 2.92Å
295	D	29.9	Very low	30.5	Very low	143 Å²	143	147 Å²	147	77%	0.765	74%	0.744	S	S	*	*			trans	-59.3	87.9	178.3	-73.5	-32	0	0	0	109.9	P293 E297	P293-D295 PolarHBondContact O-N 2.69Å; D295-E297 PolarHBondContact O-N 3Å
296	S	29.5	Very low	30.3	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	75%	0.754	S	S	*	*			trans	-93.1	68.1	-174.3	-59.4	0	0	0	0	109.6	I294	I294-S296 VanDerWaalsContact C-N 3.26Å; I294-S296 PolarHBondContact O-N 3.4Å; I294-S296 PolarHBondContact O-OG 2.92Å
297	E	33.8	Very low	30.1	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	76%	0.761	S	S	*	*			trans	-135.9	143.3	179.9	-116.1	178.2	-155.3	0	0	114	D295	D295-E297 PolarHBondContact O-N 3Å
298	C	31.8	Very low	29.9	Very low	120 Å²	120	148.8 Å²	148.8	81%	0.811	77%	0.769	S	S	*	*			trans	71.6	98	169.8	-61	0	0	0	0	119.1
299	D	30.4	Very low	30.1	Very low	159 Å²	159	147 Å²	147	85%	0.85	77%	0.772	S	S	*	*			trans	-35.9	138.5	148.1	-71.2	-86.8	0	0	0	115.3
300	E	36.2	Very low	30.1	Very low	191 Å²	191	147 Å²	147	89%	0.893	77%	0.774	S	S	*	*				-159.5	96.8	125.1	-118.3	-176.5	-179.2	0	0	115
301	K	35.4	Very low	30	Very low	170 Å²	170	148 Å²	148	74%	0.739	78%	0.778	S	S	*	*			trans	36.6	117.5	140	-81.4	179.4	178.5	170.3	0	123
302	F	26.8	Very low	29.8	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.794	78%	0.775	S	S	*	*			trans	69.7	157.2	141.8	-72.2	-67.8	0	0	0	120.2
303	P	31.4	Very low	29.9	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	78%	0.775	S	S	*	*			cis	-123.4	146.4	-11.6	35.1	-18.9	0	0	0	116.1
304	E	28.7	Very low	29.9	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	78%	0.784	S	S	*	*			trans	-14.9	126.7	149	-179.2	178.1	-164.7	0	0	118.6
305	F	30.1	Very low	30	Very low	211 Å²	211	145.3 Å²	145.3	93%	0.925	78%	0.778	S	S	*	*			trans	-150.3	111.1	144	-96.5	-72	0	0	0	110
306	A	28.7	Very low	30	Very low	78 Å²	78	146.2 Å²	146.2	65%	0.645	78%	0.775	S	S	*	*			trans	-123.3	132.9	178.5	0	0	0	0	0	111.5	Q308	A306-Q308 PolarHBondContact O-N 3.16Å
307	P	29.4	Very low	30.1	Very low	126 Å²	126	147.6 Å²	147.6	82%	0.818	77%	0.774	S	S	*	*			trans	-84.4	94.9	168	32.1	-30.1	0	0	0	110.4	V309	P307-V309 PolarHBondContact O-N 2.91Å
308	Q	26.6	Very low	29.9	Very low	186 Å²	186	145 Å²	145	87%	0.869	77%	0.765	S	S	*	*			trans	-71.5	116.7	166.3	-70.1	-175	-2.2	0	0	110.6	A306	A306-Q308 PolarHBondContact O-N 3.16Å
309	V	32.8	Very low	29.7	Very low	132 Å²	132	146.2 Å²	146.2	80%	0.8	76%	0.76	S	S	*	*			trans	-148.8	121.2	164.4	-172.8	0	0	0	0	109.3	P307	P307-V309 PolarHBondContact O-N 2.91Å
310	S	29.2	Very low	29.7	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	75%	0.751	S	S	*	*			cis	-171.6	143.4	-31.7	43.5	0	0	0	0	106.5
311	H	25.3	Very low	29.4	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.856	74%	0.74	S	S	*	*			trans	-70	160.2	179	-73.9	-93.2	0	0	0	113.5
312	S	25.1	Very low	29.2	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	74%	0.739	S	S	*	*			trans	70.5	139.6	169.5	74.7	0	0	0	0	115
313	L	28.8	Very low	29.2	Very low	136 Å²	136	134.7 Å²	134.7	71%	0.712	73%	0.727	S	S	*	*				-162.2	147.6	64.1	-86.9	158.4	0	0	0	112.4
314	M	29.6	Very low	29	Very low	157 Å²	157	139.9 Å²	139.9	77%	0.773	73%	0.734	S	S	*	*			trans	63.2	146.6	146.8	-68.2	179.4	179.5	0	0	118.9
315	N	31.1	Very low	29.1	Very low	116 Å²	116	137 Å²	137	62%	0.62	73%	0.732	S	S	*	*			cis	-151.4	149.1	-12.9	-130.6	-24.2	0	0	0	110.6
316	K	30.3	Very low	29	Very low	163 Å²	163	132.5 Å²	132.5	71%	0.709	72%	0.722	S	S	*	*			trans	25.5	135.6	134.9	-78.1	177.9	-176.3	178.3	0	120.6
317	N	30.1	Very low	29	Very low	133 Å²	133	135 Å²	135	71%	0.711	72%	0.724	S	S	*	*			trans	84.6	147	142.3	-61.9	-1.7	0	0	0	117.2
318	I	30.3	Very low	28.9	Very low	121 Å²	121	136.8 Å²	136.8	62%	0.621	73%	0.726	S	S	*	*			cis	-157.5	127.6	-12.3	-112	167.4	0	0	0	104.5
319	M	27.6	Very low	29.2	Very low	145 Å²	145	133.1 Å²	133.1	71%	0.714	72%	0.716	S	S	*	*				65.4	140.3	106.5	-135.3	-170.1	-52.6	0	0	114.8
320	N	29.4	Very low	29	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	71%	0.713	S	S	*	*			trans	70.9	147.1	175.1	-63	42.4	0	0	0	114.1
321	D	29.7	Very low	29.2	Very low	124 Å²	124	132 Å²	132	66%	0.663	71%	0.712	S	S	*	*			cis	-166.1	155	-5.3	-99.5	-20	0	0	0	106.1
322	L	33.2	Very low	29.5	Very low	137 Å²	137	130.5 Å²	130.5	72%	0.717	71%	0.71	S	S	*	*			cis	-156.4	128.4	2	-94.4	153.5	0	0	0	104.9
323	S	26.6	Very low	29.6	Very low	76 Å²	76	131.3 Å²	131.3	53%	0.531	71%	0.711	S	S	.	*				89.1	142.4	69	79.8	0	0	0	0	116.1
324	Y	27.3	Very low	29.7	Very low	215 Å²	215	133.7 Å²	133.7	84%	0.843	72%	0.719	S	S	*	*			trans	68.6	143.3	164.8	-61.2	-65	0	0	0	118
325	S	29.7	Very low	29.4	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	73%	0.725	S	S	*	*			cis	-144.7	154.5	-1.9	-101.6	0	0	0	0	112.4
326	V	28.1	Very low	29.3	Very low	116 Å²	116	136 Å²	136	70%	0.703	73%	0.733	S	S	*	*			trans	-87.9	147.6	159.9	172.1	0	0	0	0	108.4	L328	V326-L328 HydrophobicContact CG1-CB 4.07Å; V326-L328 HydrophobicContact CG1-CD1 4.16Å; V326-L328 HydrophobicContact CG1-CG 4.16Å
327	D	28.4	Very low	29.2	Very low	131 Å²	131	133.9 Å²	133.9	70%	0.701	73%	0.734	S	S	*	*			trans	-129.3	131	144.5	-152.9	-34.9	0	0	0	109.5	T329	D327-T329 WeakPolarHBondContact OD1-CG2 3.25Å; D327-T329 PolarHBondContact OD1-N 3.3Å; D327-T329 PolarHBondContact OD1-OG1 3.48Å
328	L	28.6	Very low	29	Very low	163 Å²	163	137.6 Å²	137.6	85%	0.853	74%	0.744	S	S	*	*			trans	-144.5	74.6	-179.2	-98	172.8	0	0	0	107	V326	V326-L328 HydrophobicContact CG1-CB 4.07Å; V326-L328 HydrophobicContact CG1-CD1 4.16Å; V326-L328 HydrophobicContact CG1-CG 4.16Å
329	T	32.6	Very low	29	Very low	109 Å²	109	135.4 Å²	135.4	67%	0.669	75%	0.751	S	S	*	*			trans	-133.6	138.7	177.1	51.1	0	0	0	0	108.8	D327	D327-T329 WeakPolarHBondContact OD1-CG2 3.25Å; D327-T329 PolarHBondContact OD1-N 3.3Å; D327-T329 PolarHBondContact OD1-OG1 3.48Å
330	S	28	Very low	28.9	Very low	104 Å²	104	138 Å²	138	73%	0.727	76%	0.761	S	S	*	*			cis	-151.4	158.3	-11.3	-88.3	0	0	0	0	108.6
331	P	33.6	Very low	29.2	Very low	108 Å²	108	138.5 Å²	138.5	70%	0.701	77%	0.768	S	S	*	*			trans	-75.4	157.2	176.7	33.2	-36.4	0	0	0	111.8
332	N	31.2	Very low	29.1	Very low	152 Å²	152	138.4 Å²	138.4	81%	0.813	77%	0.768	S	S	*	*				-173.5	118.2	125.2	-91.9	-27	0	0	0	112.8
333	T	28	Very low	29.1	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	77%	0.772	S	S	*	*			trans	4.2	122.5	139.1	-44.6	0	0	0	0	118.6
334	E	29.9	Very low	29.1	Very low	185 Å²	185	143 Å²	143	86%	0.864	79%	0.786	S	S	*	*				-153.3	122.9	127.8	-125.8	170.1	-138.1	0	0	111.9
335	F	24.3	Very low	29.1	Very low	209 Å²	209	136.2 Å²	136.2	92%	0.917	78%	0.775	S	S	*	*			trans	-89.6	111.4	167.3	-111.5	-91.9	0	0	0	107.3
336	S	28.1	Very low	29	Very low	113 Å²	113	138 Å²	138	79%	0.79	77%	0.774	S	S	*	*			trans	-142	163	167.9	-161.5	0	0	0	0	110.8
337	V	27.9	Very low	28.9	Very low	118 Å²	118	140.7 Å²	140.7	72%	0.715	79%	0.785	S	S	*	*			trans	-124.8	141.6	-148.8	167.8	0	0	0	0	112.5
338	K	26.7	Very low	28.8	Very low	212 Å²	212	139.1 Å²	139.1	92%	0.922	78%	0.784	S	S	*	*			trans	76.5	124.9	-177.4	-65.3	162.8	178.2	-174.5	0	115.2
339	G	29.9	Very low	28.8	Very low	74 Å²	74	138 Å²	138	76%	0.763	78%	0.784	S	S	*	*			trans	176.1	108.2	174.7	0	0	0	0	0	109
340	E	26.4	Very low	28.5	Very low	199 Å²	199	137.5 Å²	137.5	93%	0.93	78%	0.782	S	S	*	*			trans	-92.8	116.8	-175.4	178.6	170	-150.8	0	0	109.6
341	V	35.3	Very low	28.4	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	78%	0.783	S	S	*	*			trans	-145.2	134.9	-180	-173.6	0	0	0	0	111.2
342	D	26.8	Very low	28.1	Very low	121 Å²	121	138.1 Å²	138.1	65%	0.647	79%	0.789	S	S	*	*			trans	-58	138.4	177.4	-121.9	-56.8	0	0	0	114.9	N344	D342-N344 PolarHBondContact OD1-ND2 2.81Å
343	L	32.9	Very low	28	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	79%	0.788	S	S	*	*			trans	-141	64.8	161.7	-80.4	-177.2	0	0	0	111.9	A345	L343-A345 PolarHBondContact O-N 2.82Å
344	N	26.7	Very low	28	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	77%	0.774	S	S	*	*			trans	-60.6	76.7	161.8	-89.7	-73.3	0	0	0	111.5	D342	D342-N344 PolarHBondContact OD1-ND2 2.81Å
345	A	27.3	Very low	28.2	Very low	72 Å²	72	134.4 Å²	134.4	60%	0.595	77%	0.765	S	S	*	*			trans	-148.9	-3	-164.7	0	0	0	0	0	119.2	L343	L343-A345 PolarHBondContact O-N 2.82Å
346	I	28.3	Very low	28.8	Very low	144 Å²	144	130.6 Å²	130.6	74%	0.738	76%	0.759	S	S	*	*			trans	-133.1	35.2	-171.7	-26.9	-179.6	0	0	0	116	S348	I346-S348 PolarHBondContact O-N 2.9Å
347	N	26.6	Very low	29	Very low	173 Å²	173	129.8 Å²	129.8	93%	0.925	75%	0.753	S	S	*	*			trans	-80.7	72.3	157.4	-83.9	-7.1	0	0	0	109.7
348	S	25.8	Very low	29.2	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	75%	0.75	S	S	*	*			trans	-157.9	73.4	176.2	-72.5	0	0	0	0	110.6	I346 P350	I346-S348 PolarHBondContact O-N 2.9Å; S348-P350 VanDerWaalsContact O-CD 3.29Å; S348-P350 WeakPolarHBondContact O-CD 3.35Å
349	V	27.9	Very low	29.3	Very low	140 Å²	140	125.1 Å²	125.1	85%	0.848	73%	0.733	S	S	*	*			trans	-85	109.7	165.2	-179.4	0	0	0	0	107.2	S351	V349-S351 PolarHBondContact O-N 2.84Å
350	P	27	Very low	29.8	Very low	97 Å²	97	128 Å²	128	63%	0.63	73%	0.731	S	S	*	*			trans	-69.7	124.8	179.1	28.3	-33.5	0	0	0	109.8	S348	S348-P350 VanDerWaalsContact O-CD 3.29Å; S348-P350 WeakPolarHBondContact O-CD 3.35Å
351	S	26.6	Very low	30.2	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	72%	0.723	S	S	*	*	S	Bend	trans	-59.6	158.9	158.8	53.8	0	0	0	0	109.9	V349	V349-S351 PolarHBondContact O-N 2.84Å
352	S	27.2	Very low	30.1	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	72%	0.719	S	S	*	*			trans	79.1	48.3	179.6	-45.1	0	0	0	0	117.4	S354	S352-S354 PolarHBondContact O-N 2.84Å
353	K	29.3	Very low	30.4	Very low	181 Å²	181	125.3 Å²	125.3	79%	0.787	72%	0.717	S	S	*	*			trans	-86.3	88.4	150.3	-77.4	-170.8	179.7	178.7	0	110.4
354	S	27.5	Very low	30.2	Very low	66 Å²	66	124.6 Å²	124.6	46%	0.462	71%	0.714	S	S	.	*			trans	-73.1	142.2	168.9	178.6	0	0	0	0	110.5	S352 T356	S352-S354 PolarHBondContact O-N 2.84Å; S354-T356 WeakPolarHBondContact CB-OG1 3.25Å; S354-T356 PolarHBondContact O-N 3.14Å; S354-T356 PolarHBondContact OG-N 3.18Å; S354-T356 PolarHBondContact OG-OG1 3.41Å
355	M	34.3	Very low	30.4	Very low	135 Å²	135	125.2 Å²	125.2	67%	0.665	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-61	-7.9	172.5	-83.6	-78.8	-72.3	0	0	114	S357 L358	M355-S357 PolarHBondContact O-N 2.78Å; M355-L358 HydrophobicContact SD-CD1 4.25Å
356	T	36.1	Very low	30.5	Very low	129 Å²	129	131.2 Å²	131.2	79%	0.791	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-76.6	5.7	-179.6	55.7	0	0	0	0	115	S354	S354-T356 WeakPolarHBondContact CB-OG1 3.25Å; S354-T356 PolarHBondContact O-N 3.14Å; S354-T356 PolarHBondContact OG-N 3.18Å; S354-T356 PolarHBondContact OG-OG1 3.41Å
357	S	31.7	Very low	30.5	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-126.1	22.9	-179.7	78	0	0	0	0	114.8	M355 D359	M355-S357 PolarHBondContact O-N 2.78Å; S357-D359 VanDerWaalsContact C-N 3.28Å; S357-D359 PolarHBondContact O-N 3.34Å
358	L	32.7	Very low	30.7	Very low	126 Å²	126	127 Å²	127	66%	0.66	72%	0.716	S	S	*	*			trans	-85.5	74.9	161.6	-79	172.3	0	0	0	109	M355 L360	M355-L358 HydrophobicContact SD-CD1 4.25Å; L358-L360 PolarHBondContact O-N 3Å; L358-L360 VanDerWaalsContact O-N 3.12Å
359	D	29.7	Very low	30.9	Very low	105 Å²	105	129.9 Å²	129.9	56%	0.561	72%	0.723	S	S	*	*			trans	-76.2	96.8	171.1	-163.1	-21.5	0	0	0	109.4	S357 N361	S357-D359 VanDerWaalsContact C-N 3.28Å; S357-D359 PolarHBondContact O-N 3.34Å; D359-N361 PolarHBondContact O-N 2.89Å; D359-N361 VanDerWaalsContact O-N 3.12Å; D359-N361 WeakPolarHBondContact OD1-CB 3.38Å; D359-N361 PolarHBondContact OD1-N 3.26Å; D359-N361 PolarHBondContact OD1-ND2 3.28Å
360	L	39.2	Very low	31	Very low	136 Å²	136	127.2 Å²	127.2	71%	0.712	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-0.4	-176.5	-69.6	167.7	0	0	0	113.6	L358	L358-L360 PolarHBondContact O-N 3Å; L358-L360 VanDerWaalsContact O-N 3.12Å
361	N	35.8	Very low	31.3	Very low	145 Å²	145	131 Å²	131	78%	0.775	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-17.7	179.2	-59.4	-75.9	0	0	0	113.4	D359 L363	D359-N361 PolarHBondContact O-N 2.89Å; D359-N361 VanDerWaalsContact O-N 3.12Å; D359-N361 WeakPolarHBondContact OD1-CB 3.38Å; D359-N361 PolarHBondContact OD1-N 3.26Å; D359-N361 PolarHBondContact OD1-ND2 3.28Å; N361-L363 VanDerWaalsContact C-N 3.32Å; N361-L363 PolarHBondContact O-N 3.46Å
362	D	33	Very low	31.4	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	72%	0.724	S	S	*	*			trans	-93.8	28.4	-173.1	-123.9	-14	0	0	0	113.9	N364	D362-N364 PolarHBondContact O-N 2.81Å
363	L	32.9	Very low	31.5	Very low	116 Å²	116	129.5 Å²	129.5	61%	0.607	72%	0.722	S	S	*	*			trans	-73.1	54.6	169.6	-94.7	81.8	0	0	0	112	N361 F365	N361-L363 VanDerWaalsContact C-N 3.32Å; N361-L363 PolarHBondContact O-N 3.46Å; L363-F365 HydrophobicContact CB-CD2 4.22Å; L363-F365 HydrophobicContact CD2-CD2 3.98Å; L363-F365 HydrophobicContact CD2-CE2 3.97Å; L363-F365 HydrophobicContact CG-CD2 3.89Å; L363-F365 HydrophobicContact CG-CE2 3.97Å; L363-F365 PolarHBondContact O-N 3.49Å
364	N	28.8	Very low	31.4	Very low	140 Å²	140	129 Å²	129	75%	0.749	72%	0.722	S	S	*	*			trans	-76.1	59.9	168.6	-155.8	-22.9	0	0	0	110	D362 K366	D362-N364 PolarHBondContact O-N 2.81Å; N364-K366 PolarHBondContact O-N 2.88Å
365	F	30.5	Very low	31.6	Very low	168 Å²	168	135.1 Å²	135.1	74%	0.737	74%	0.74	S	S	*	*			trans	-65.5	94.1	-179.4	-102.9	-84.4	0	0	0	109.7	L363 C367	L363-F365 HydrophobicContact CB-CD2 4.22Å; L363-F365 HydrophobicContact CD2-CD2 3.98Å; L363-F365 HydrophobicContact CD2-CE2 3.97Å; L363-F365 HydrophobicContact CG-CD2 3.89Å; L363-F365 HydrophobicContact CG-CE2 3.97Å; L363-F365 PolarHBondContact O-N 3.49Å; F365-C367 VanDerWaalsContact C-N 3.31Å; F365-C367 PolarHBondContact O-N 2.77Å
366	K	29.8	Very low	31.3	Very low	199 Å²	199	133.5 Å²	133.5	87%	0.865	74%	0.742	S	S	*	*			trans	-69.9	87.7	178.6	-158.9	172.3	-171	175.4	0	109.3	N364	N364-K366 PolarHBondContact O-N 2.88Å
367	C	27.5	Very low	31	Very low	103 Å²	103	133.4 Å²	133.4	70%	0.696	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-50.6	149.4	-178.7	-60.1	0	0	0	0	112.1	F365 N369	F365-C367 VanDerWaalsContact C-N 3.31Å; F365-C367 PolarHBondContact O-N 2.77Å; C367-N369 PolarHBondContact O-N 2.84Å
368	P	32.1	Very low	30.7	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-61.9	133.8	174.7	26.3	-34.1	0	0	0	111.4
369	N	29.5	Very low	30.5	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.9	155.7	-62.3	-40.5	0	0	0	108.3	C367	C367-N369 PolarHBondContact O-N 2.84Å
370	S	30.1	Very low	30.5	Very low	84 Å²	84	140.2 Å²	140.2	59%	0.587	76%	0.763	S	S	*	*			cis	-159.1	168.2	0.7	38.4	0	0	0	0	107.2
371	H	33	Very low	30	Very low	176 Å²	176	143 Å²	143	82%	0.815	78%	0.777	S	S	*	*			cis	-156.7	152.2	34	-69.1	-101.2	0	0	0	112.1
372	G	28.6	Very low	29.5	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	77%	0.765	S	S	*	*			trans	69.9	139.8	143.4	0	0	0	0	0	118.5
373	S	30.3	Very low	29.2	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	78%	0.775	S	S	*	*			cis	-152.6	147.5	-2.1	173.1	0	0	0	0	109.9
374	H	26.9	Very low	29	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.787	78%	0.782	S	S	*	*			trans	-54.1	144.3	170.8	-45.1	-98	0	0	0	112.5
375	K	32	Very low	29.1	Very low	195 Å²	195	141.2 Å²	141.2	85%	0.848	78%	0.783	S	S	*	*				-172.2	148.5	106.6	-98.3	158.7	-174.8	176.3	0	113.5
376	S	27.2	Very low	29	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	79%	0.786	S	S	*	*			trans	-9.9	146.6	153.8	56.2	0	0	0	0	117.4
377	V	30.1	Very low	29.2	Very low	127 Å²	127	136.8 Å²	136.8	77%	0.77	78%	0.78	S	S	*	*				-154.6	145.8	63	155.4	0	0	0	0	112.5
378	Y	24.9	Very low	29.4	Very low	232 Å²	232	138.4 Å²	138.4	91%	0.91	78%	0.781	S	S	*	*			trans	-64.2	127.9	162.8	-95	-110.9	0	0	0	110.7
379	S	28.2	Very low	29.6	Very low	96 Å²	96	141 Å²	141	67%	0.671	78%	0.782	S	S	*	*			trans	-169.4	154.9	146.4	-121.8	0	0	0	0	112.3
380	D	30.3	Very low	29.9	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	77%	0.774	S	S	*	*			trans	58.9	99.1	151.3	-49.2	-26.1	0	0	0	119.7	G382	D380-G382 PolarHBondContact O-N 3.08Å
381	L	28.2	Very low	30.3	Very low	193 Å²	193	140.9 Å²	140.9	100%	1.01	77%	0.774	S	S	*	*			trans	-55.7	98.8	148.8	-78.8	153.6	0	0	0	109.3
382	G	25.6	Very low	30.6	Very low	52 Å²	52	137.9 Å²	137.9	54%	0.536	77%	0.765	S	S	.	*			trans	-157.5	93.4	-174	0	0	0	0	0	114.8	D380 I384	D380-G382 PolarHBondContact O-N 3.08Å; G382-I384 PolarHBondContact O-N 3.35Å
383	L	27.1	Very low	31.4	Very low	178 Å²	178	138.6 Å²	138.6	93%	0.932	75%	0.753	S	S	*	*			trans	18.2	89.2	148.9	-61.6	169.4	0	0	0	118.3
384	I	28.7	Very low	32.1	Very low	145 Å²	145	136.4 Å²	136.4	74%	0.744	74%	0.737	S	S	*	*			trans	-135.7	118.6	143.6	-74.7	97.5	0	0	0	108.9	G382 D386	G382-I384 PolarHBondContact O-N 3.35Å; I384-D386 HydrophobicContact CG2-CB 4.29Å
385	T	29.7	Very low	33	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	72%	0.721	S	S	*	*			trans	-68.6	121.9	158.5	44	0	0	0	0	109.3
386	D	29.4	Very low	33.8	Very low	151 Å²	151	123.1 Å²	123.1	81%	0.807	69%	0.693	S	S	*	*			trans	-176.9	9	160.4	-97.1	-16.4	0	0	0	115.2	I384	I384-D386 HydrophobicContact CG2-CB 4.29Å
387	V	33.5	Very low	35.4	Very low	122 Å²	122	121.6 Å²	121.6	74%	0.739	68%	0.68	S	S	*	*			trans	-123	51.6	-174.9	-160.2	0	0	0	0	112.6
388	I	32.7	Very low	36.6	Very low	138 Å²	138	121.7 Å²	121.7	71%	0.708	67%	0.672	S	S	*	*	S	Bend	trans	-105.7	-40	177.3	-64.1	179.5	0	0	0	111.6	N390 N391	I388-N390 VanDerWaalsContact C-N 3.29Å; I388-N390 PolarHBondContact O-N 3.21Å; I388-N390 VanDerWaalsContact O-N 3.16Å; I388-N391 PolarHBondContact O-N 3.43Å
389	E	36.2	Very low	38.3	Very low	180 Å²	180	114 Å²	114	84%	0.841	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-10.6	-170.5	-61.2	-170.7	133.9	0	0	116.2
390	N	36	Very low	40.2	Very low	130 Å²	130	114.2 Å²	114.2	70%	0.695	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-7.5	-179.6	-77.8	-56.3	0	0	0	114.5	I388	I388-N390 VanDerWaalsContact C-N 3.29Å; I388-N390 PolarHBondContact O-N 3.21Å; I388-N390 VanDerWaalsContact O-N 3.16Å
391	N	37.4	Very low	41.8	Very low	110 Å²	110	113.2 Å²	113.2	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-78.6	-31.8	-177	-115.5	-3.1	0	0	0	112.8	I388 T393 S394 A395	I388-N391 PolarHBondContact O-N 3.43Å; N391-T393 PolarHBondContact O-N 3.33Å; N391-S394 PolarHBondContact O-N 2.96Å; N391-S394 PolarHBondContact O-OG 3.42Å; N391-A395 PolarHBondContact O-N 2.91Å
392	D	38.6	Very low	43.2	Very low	114 Å²	114	110 Å²	110	61%	0.61	61%	0.605	S	S	*	*	H	α-helix	trans	-60.1	-31.9	-179.5	-69	-16.6	0	0	0	112.5	A396	D392-A396 WeakPolarHBondContact O-CB 3.49Å; D392-A396 PolarHBondContact O-N 2.84Å
393	T	45.5	Very low	45.2	Very low	95 Å²	95	108 Å²	108	58%	0.583	58%	0.582	S	S	*	*	H	α-helix	trans	-69.2	-36.4	177.5	-48.9	0	0	0	0	111.7	N391 T397	N391-T393 PolarHBondContact O-N 3.33Å; T393-T397 WeakPolarHBondContact O-CB 3.35Å; T393-T397 PolarHBondContact O-N 3.06Å; T393-T397 VanDerWaalsContact O-N 3.07Å; T393-T397 PolarHBondContact O-OG1 3.5Å
394	S	46.3	Very low	47.1	Very low	66 Å²	66	104.6 Å²	104.6	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-73.5	-42.9	176.8	75.3	0	0	0	0	111	N391 T397 H398	N391-S394 PolarHBondContact O-N 2.96Å; N391-S394 PolarHBondContact O-OG 3.42Å; S394-T397 PolarHBondContact O-N 2.95Å; S394-H398 WeakPolarHBondContact O-CB 3.48Å; S394-H398 PolarHBondContact O-N 3.47Å
395	A	45.4	Very low	48.7	Very low	53 Å²	53	100.4 Å²	100.4	44%	0.438	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.1	0	0	0	0	0	112	N391 T397 H398 M399	N391-A395 PolarHBondContact O-N 2.91Å; A395-T397 VanDerWaalsContact C-N 3.34Å; A395-T397 PolarHBondContact O-N 3.11Å; A395-H398 PolarHBondContact O-N 3.21Å; A395-M399 VanDerWaalsContact O-CB 3.27Å; A395-M399 WeakPolarHBondContact O-CB 3.41Å; A395-M399 VanDerWaalsContact O-CG 3.24Å; A395-M399 WeakPolarHBondContact O-CG 3.34Å; A395-M399 PolarHBondContact O-N 2.87Å
396	A	48.7	Very low	50.1	Low	33 Å²	33	95.7 Å²	95.7	27%	0.273	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-38.1	175.1	0	0	0	0	0	112.3	P284 D392 N400	P284-A396 HydrophobicContact CB-CB 4.21Å; P284-A396 HydrophobicContact CG-CB 4.01Å; D392-A396 WeakPolarHBondContact O-CB 3.49Å; D392-A396 PolarHBondContact O-N 2.84Å; A396-N400 VanDerWaalsContact O-CB 3.25Å; A396-N400 WeakPolarHBondContact O-CB 3.38Å; A396-N400 PolarHBondContact O-N 3.28Å
397	T	60.9	Low	51.6	Low	70 Å²	70	91.3 Å²	91.3	43%	0.429	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-50.9	176.7	-57.5	0	0	0	0	110.9	T393 S394 A395 M399 N400 E401	T393-T397 WeakPolarHBondContact O-CB 3.35Å; T393-T397 PolarHBondContact O-N 3.06Å; T393-T397 VanDerWaalsContact O-N 3.07Å; T393-T397 PolarHBondContact O-OG1 3.5Å; S394-T397 PolarHBondContact O-N 2.95Å; A395-T397 VanDerWaalsContact C-N 3.34Å; A395-T397 PolarHBondContact O-N 3.11Å; T397-M399 VanDerWaalsContact C-N 3.34Å; T397-M399 PolarHBondContact O-N 3.46Å; T397-N400 WeakPolarHBondContact O-CB 3.5Å; T397-N400 PolarHBondContact O-N 3.45Å; T397-N400 VanDerWaalsContact O-N 3.08Å; T397-E401 WeakPolarHBondContact O-CG 3.3Å; T397-E401 PolarHBondContact O-N 2.75Å
398	H	55.6	Low	52.9	Low	128 Å²	128	88.7 Å²	88.7	59%	0.593	48%	0.475	S	S	*	.	H	α-helix	trans	-62.5	-37.9	178.2	-174.3	-98.1	0	0	0	112.5	S394 A395 E401 Y402	S394-H398 WeakPolarHBondContact O-CB 3.48Å; S394-H398 PolarHBondContact O-N 3.47Å; A395-H398 PolarHBondContact O-N 3.21Å; H398-E401 PolarHBondContact O-N 2.72Å; H398-Y402 VanDerWaalsContact O-CB 3.29Å; H398-Y402 WeakPolarHBondContact O-CB 3.43Å; H398-Y402 PolarHBondContact O-N 3.3Å
399	M	59.7	Low	54.1	Low	72 Å²	72	87.5 Å²	87.5	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-66.8	-36.9	172.7	-75.5	-67.8	-72.8	0	0	112.4	A395 T397 V403	A395-M399 VanDerWaalsContact O-CB 3.27Å; A395-M399 WeakPolarHBondContact O-CB 3.41Å; A395-M399 VanDerWaalsContact O-CG 3.24Å; A395-M399 WeakPolarHBondContact O-CG 3.34Å; A395-M399 PolarHBondContact O-N 2.87Å; T397-M399 VanDerWaalsContact C-N 3.34Å; T397-M399 PolarHBondContact O-N 3.46Å; M399-V403 WeakPolarHBondContact O-CB 3.13Å; M399-V403 VanDerWaalsContact O-CG2 3.25Å; M399-V403 WeakPolarHBondContact O-CG2 3.25Å; M399-V403 PolarHBondContact O-N 3.49Å
400	N	68.2	Low	55	Low	99 Å²	99	79.2 Å²	79.2	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-69.8	-39.4	175.4	-167.1	24.9	0	0	0	111.4	A396 T397 V403 Q404	A396-N400 VanDerWaalsContact O-CB 3.25Å; A396-N400 WeakPolarHBondContact O-CB 3.38Å; A396-N400 PolarHBondContact O-N 3.28Å; T397-N400 WeakPolarHBondContact O-CB 3.5Å; T397-N400 PolarHBondContact O-N 3.45Å; T397-N400 VanDerWaalsContact O-N 3.08Å; N400-V403 PolarHBondContact O-N 3.23Å; N400-Q404 WeakPolarHBondContact O-CB 3.33Å; N400-Q404 PolarHBondContact O-N 3.38Å
401	E	64.8	Low	56.1	Low	123 Å²	123	74.3 Å²	74.3	58%	0.575	40%	0.402	S	S	*	.	H	α-helix	trans	-62.1	-45	171.5	-73.3	177.8	176.7	0	0	111.7	T397 H398 Q404 A405	T397-E401 WeakPolarHBondContact O-CG 3.3Å; T397-E401 PolarHBondContact O-N 2.75Å; H398-E401 PolarHBondContact O-N 2.72Å; E401-Q404 CarbonylContact O-C 3.57Å; E401-Q404 PolarHBondContact O-N 2.81Å; E401-A405 WeakPolarHBondContact O-CB 3.5Å; E401-A405 PolarHBondContact O-N 3.43Å
402	Y	58	Low	57.3	Low	126 Å²	126	75.3 Å²	75.3	49%	0.494	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.6	177.1	-112.6	0	0	0	112.5	H398 Q404 A405 I406	H398-Y402 VanDerWaalsContact O-CB 3.29Å; H398-Y402 WeakPolarHBondContact O-CB 3.43Å; H398-Y402 PolarHBondContact O-N 3.3Å; Y402-Q404 VanDerWaalsContact C-N 3.31Å; Y402-Q404 PolarHBondContact O-N 2.85Å; Y402-A405 PolarHBondContact O-N 3.44Å; Y402-I406 HydrophobicContact CD1-CD1 3.95Å; Y402-I406 HydrophobicContact CE1-CD1 3.49Å; Y402-I406 VanDerWaalsContact CE1-CD1 3.49Å; Y402-I406 HydrophobicContact CE2-CD1 4.11Å; Y402-I406 HydrophobicContact CE2-CG1 4.45Å; Y402-I406 HydrophobicContact CG-CD1 4.45Å; Y402-I406 WeakPolarHBondContact O-CG1 3.5Å; Y402-I406 PolarHBondContact O-N 3.18Å
403	V	66.3	Low	58.5	Low	10 Å²	10	74.4 Å²	74.4	6%	0.061	40%	0.398	C	S	.	.	H	α-helix	trans	-65.5	-35.7	175	169.3	0	0	0	0	111.1	M399 N400 I406 R407	M399-V403 WeakPolarHBondContact O-CB 3.13Å; M399-V403 VanDerWaalsContact O-CG2 3.25Å; M399-V403 WeakPolarHBondContact O-CG2 3.25Å; M399-V403 PolarHBondContact O-N 3.49Å; N400-V403 PolarHBondContact O-N 3.23Å; V403-I406 PolarHBondContact O-N 2.85Å; V403-R407 WeakPolarHBondContact O-CB 3.46Å; V403-R407 VanDerWaalsContact O-CG 3.24Å; V403-R407 WeakPolarHBondContact O-CG 3.09Å; V403-R407 PolarHBondContact O-N 2.87Å
404	Q	67.4	Low	59.9	Low	105 Å²	105	71.7 Å²	71.7	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-70.5	-35.1	174.7	-169.7	71.3	-11.7	0	0	111.8	N400 E401 Y402 R407 T408	N400-Q404 WeakPolarHBondContact O-CB 3.33Å; N400-Q404 PolarHBondContact O-N 3.38Å; E401-Q404 CarbonylContact O-C 3.57Å; E401-Q404 PolarHBondContact O-N 2.81Å; Y402-Q404 VanDerWaalsContact C-N 3.31Å; Y402-Q404 PolarHBondContact O-N 2.85Å; Q404-R407 PolarHBondContact O-N 3.42Å; Q404-T408 VanDerWaalsContact O-CB 3.32Å; Q404-T408 WeakPolarHBondContact O-CB 3.49Å; Q404-T408 PolarHBondContact O-N 2.77Å; Q404-T408 PolarHBondContact O-OG1 2.76Å
405	A	63	Low	61.4	Low	57 Å²	57	68.8 Å²	68.8	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-45.3	172	0	0	0	0	0	111	E401 Y402 R407 T408 Y409	E401-A405 WeakPolarHBondContact O-CB 3.5Å; E401-A405 PolarHBondContact O-N 3.43Å; Y402-A405 PolarHBondContact O-N 3.44Å; A405-R407 PolarHBondContact O-N 2.68Å; A405-T408 PolarHBondContact O-N 3.34Å; A405-Y409 WeakPolarHBondContact O-CB 3.44Å; A405-Y409 PolarHBondContact O-N 2.79Å
406	I	58.8	Low	63.3	Low	28 Å²	28	66.4 Å²	66.4	14%	0.144	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-47.6	172.1	-68.3	167.1	0	0	0	110.7	L275 V279 Y402 V403 T408 Y409 A410	L275-I406 HydrophobicContact CD1-CG2 4.15Å; V279-I406 HydrophobicContact CG2-CG2 3.55Å; Y402-I406 HydrophobicContact CD1-CD1 3.95Å; Y402-I406 HydrophobicContact CE1-CD1 3.49Å; Y402-I406 VanDerWaalsContact CE1-CD1 3.49Å; Y402-I406 HydrophobicContact CE2-CD1 4.11Å; Y402-I406 HydrophobicContact CE2-CG1 4.45Å; Y402-I406 HydrophobicContact CG-CD1 4.45Å; Y402-I406 WeakPolarHBondContact O-CG1 3.5Å; Y402-I406 PolarHBondContact O-N 3.18Å; V403-I406 PolarHBondContact O-N 2.85Å; I406-T408 VanDerWaalsContact C-N 3.25Å; I406-T408 PolarHBondContact O-N 2.94Å; I406-Y409 PolarHBondContact O-N 2.8Å; I406-A410 WeakPolarHBondContact O-CB 3.4Å; I406-A410 PolarHBondContact O-N 3.41Å
407	R	60.1	Low	65.4	Low	59 Å²	59	64.9 Å²	64.9	22%	0.223	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-32.9	176.9	-77.1	170.4	178.2	148.1	7.3	112.8	V279 S281 V403 Q404 A405 A411	V279-R407 HydrophobicContact CG1-CG 3.69Å; V279-R407 PolarHBondContact O-NE 3.48Å; V279-R407 PolarHBondContact O-NH2 3.45Å; S281-R407 PolarHBondContact O-NH2 2.71Å; V403-R407 WeakPolarHBondContact O-CB 3.46Å; V403-R407 VanDerWaalsContact O-CG 3.24Å; V403-R407 WeakPolarHBondContact O-CG 3.09Å; V403-R407 PolarHBondContact O-N 2.87Å; Q404-R407 PolarHBondContact O-N 3.42Å; A405-R407 PolarHBondContact O-N 2.68Å; R407-A411 WeakPolarHBondContact O-CB 3.15Å; R407-A411 PolarHBondContact O-N 3.45Å; R407-A411 VanDerWaalsContact O-N 3.13Å
408	T	62.3	Low	66.9	Low	66 Å²	66	61.5 Å²	61.5	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-73.6	-53.3	177.9	-57.8	0	0	0	0	109.9	Q404 A405 I406 A410 A411 E412	Q404-T408 VanDerWaalsContact O-CB 3.32Å; Q404-T408 WeakPolarHBondContact O-CB 3.49Å; Q404-T408 PolarHBondContact O-N 2.77Å; Q404-T408 PolarHBondContact O-OG1 2.76Å; A405-T408 PolarHBondContact O-N 3.34Å; I406-T408 VanDerWaalsContact C-N 3.25Å; I406-T408 PolarHBondContact O-N 2.94Å; T408-A410 PolarHBondContact O-N 3.14Å; T408-A411 CarbonylContact O-C 3.57Å; T408-A411 WeakPolarHBondContact O-CA 3.32Å; T408-A411 PolarHBondContact O-N 3.32Å; T408-E412 WeakPolarHBondContact O-CG 3.39Å; T408-E412 PolarHBondContact O-N 3.49Å
409	Y	56.8	Low	68.8	Low	113 Å²	113	55.4 Å²	55.4	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-55.2	-46.9	174.9	179.6	-105.1	0	0	0	112.2	A405 I406 A411 E412 L413	A405-Y409 WeakPolarHBondContact O-CB 3.44Å; A405-Y409 PolarHBondContact O-N 2.79Å; I406-Y409 PolarHBondContact O-N 2.8Å; Y409-A411 PolarHBondContact O-N 2.63Å; Y409-E412 WeakPolarHBondContact O-CA 3.37Å; Y409-E412 WeakPolarHBondContact O-CB 3.24Å; Y409-E412 PolarHBondContact O-N 3.03Å; Y409-L413 HydrophobicContact CE1-CD1 4.29Å; Y409-L413 HydrophobicContact CE1-CD2 4.46Å; Y409-L413 HydrophobicContact CE1-CG 4.47Å; Y409-L413 WeakPolarHBondContact O-CG 3.39Å; Y409-L413 PolarHBondContact O-N 3.42Å
410	A	55.9	Low	70.6	Confident	7 Å²	7	52.1 Å²	52.1	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-20.3	178	0	0	0	0	0	113.6	I406 T408 Y465	I406-A410 WeakPolarHBondContact O-CB 3.4Å; I406-A410 PolarHBondContact O-N 3.41Å; T408-A410 PolarHBondContact O-N 3.14Å; A410-Y465 HydrophobicContact CB-CD1 3.5Å; A410-Y465 HydrophobicContact CB-CD2 4.21Å; A410-Y465 HydrophobicContact CB-CE1 3.84Å; A410-Y465 HydrophobicContact CB-CG 3.71Å
411	A	57.7	Low	72	Confident	27 Å²	27	47.5 Å²	47.5	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-87.6	-20.4	168.9	0	0	0	0	0	113.3	R407 T408 Y409 C414	R407-A411 WeakPolarHBondContact O-CB 3.15Å; R407-A411 PolarHBondContact O-N 3.45Å; R407-A411 VanDerWaalsContact O-N 3.13Å; T408-A411 CarbonylContact O-C 3.57Å; T408-A411 WeakPolarHBondContact O-CA 3.32Å; T408-A411 PolarHBondContact O-N 3.32Å; Y409-A411 PolarHBondContact O-N 2.63Å; A411-C414 PolarHBondContact O-SG 3.13Å
412	E	63.9	Low	73.4	Confident	130 Å²	130	41.7 Å²	41.7	61%	0.607	21%	0.212	S	C	*	.	H	α-helix	trans	-71.9	-35.8	168.6	-72.5	173.5	-179.3	0	0	111	T408 Y409 C414	T408-E412 WeakPolarHBondContact O-CG 3.39Å; T408-E412 PolarHBondContact O-N 3.49Å; Y409-E412 WeakPolarHBondContact O-CA 3.37Å; Y409-E412 WeakPolarHBondContact O-CB 3.24Å; Y409-E412 PolarHBondContact O-N 3.03Å; E412-C414 PolarHBondContact O-N 2.94Å; E412-C414 PolarHBondContact O-SG 3.4Å; E412-C414 VanDerWaalsContact O-SG 3.34Å
413	L	64.3	Low	75	Confident	96 Å²	96	36.1 Å²	36.1	50%	0.503	19%	0.191	S	C	.	.	S	Bend	trans	-56.5	-21.7	175.1	-67.7	180	0	0	0	114.5	Y409	Y409-L413 HydrophobicContact CE1-CD1 4.29Å; Y409-L413 HydrophobicContact CE1-CD2 4.46Å; Y409-L413 HydrophobicContact CE1-CG 4.47Å; Y409-L413 WeakPolarHBondContact O-CG 3.39Å; Y409-L413 PolarHBondContact O-N 3.42Å
414	C	73	Confident	75.9	Confident	37 Å²	37	38.2 Å²	38.2	25%	0.25	20%	0.2	C	C	.	.			trans	40.6	55.5	175.9	-65.1	0	0	0	0	114.8	A411 E412	A411-C414 PolarHBondContact O-SG 3.13Å; E412-C414 PolarHBondContact O-N 2.94Å; E412-C414 PolarHBondContact O-SG 3.4Å; E412-C414 VanDerWaalsContact O-SG 3.34Å
415	P	78.7	Confident	76.4	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.032	18%	0.178	C	C	.	.			trans	-60.1	154.5	-170	25.4	-35.9	0	0	0	113.6	Y465 V546 Q547	P415-Y465 VanDerWaalsContact CB-O 3.24Å; P415-Y465 WeakPolarHBondContact CB-O 3.49Å; P415-Y465 VanDerWaalsContact CG-O 3.32Å; P415-Y465 WeakPolarHBondContact CG-O 3.39Å; P415-V546 HydrophobicContact CG-CG1 4.35Å; P415-V546 CarbonylContact O-C 3.47Å; P415-V546 VanDerWaalsContact O-CA 3.25Å; P415-V546 WeakPolarHBondContact O-CA 3.36Å; P415-V546 WeakPolarHBondContact O-CB 3.26Å; P415-Q547 PolarHBondContact O-N 3.41Å
416	V	86.2	Confident	77	Confident	4 Å²	4	38 Å²	38	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.5	-175	-174.6	0	0	0	0	111.8	C418 L450 S467 L468 Q547	V416-C418 HydrophobicContact CG1-CB 4.3Å; V416-L450 HydrophobicContact CG1-CB 4.21Å; V416-L450 HydrophobicContact CG1-CD1 4.32Å; V416-L450 HydrophobicContact CG1-CD2 4.1Å; V416-L450 HydrophobicContact CG1-CG 4.44Å; V416-L450 HydrophobicContact CG2-CB 4.23Å; V416-L450 HydrophobicContact CG2-CD2 4.48Å; V416-L450 WeakPolarHBondContact CG2-O 3.03Å; V416-S467 PolarHBondContact N-OG 3.44Å; V416-S467 CarbonylContact O-C 3.45Å; V416-S467 VanDerWaalsContact O-CA 3.22Å; V416-S467 WeakPolarHBondContact O-CA 3.43Å; V416-S467 WeakPolarHBondContact O-CB 3.41Å; V416-L468 PolarHBondContact O-N 3Å; V416-Q547 CarbonylContact C-O 3.5Å; V416-Q547 VanDerWaalsContact CA-O 3.29Å; V416-Q547 WeakPolarHBondContact CA-O 3.38Å; V416-Q547 HydrophobicContact CG2-CB 4.19Å
417	D	91.1	Very high	77.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.3	163.6	-66.7	-36.1	0	0	0	109.4	F532 I535 R539 V546 Q547 R548 H549	D417-F532 HydrophobicContact CB-CD1 4.45Å; D417-F532 HydrophobicContact CB-CE1 4.19Å; D417-I535 HydrophobicContact CB-CD1 4.48Å; D417-I535 HydrophobicContact CB-CG2 4.04Å; D417-I535 VanDerWaalsContact CG-CG2 3.41Å; D417-I535 WeakPolarHBondContact OD1-CG2 3.47Å; D417-R539 VanDerWaalsContact CG-NE 3.34Å; D417-R539 IonicContact OD1-CZ 3.98Å; D417-R539 IonicContact OD1-NE 3.67Å; D417-R539 PolarHBondContact OD1-NE 2.94Å; D417-R539 IonicContact OD1-NH2 3.75Å; D417-R539 PolarHBondContact OD1-NH2 3.2Å; D417-R539 IonicContact OD2-CZ 2.64Å; D417-R539 IonicContact OD2-NE 3.12Å; D417-R539 PolarHBondContact OD2-NE 3.02Å; D417-R539 VanDerWaalsContact OD2-NE 3.1Å; D417-V546 WeakPolarHBondContact OD2-CG2 3.09Å; D417-Q547 PolarHBondContact N-O 3.06Å; D417-R548 HydrophobicContact CB-CG 4.21Å; D417-R548 WeakPolarHBondContact O-CA 2.99Å; D417-R548 IonicContact OD2-NE 2.7Å; D417-H549 PolarHBondContact O-N 3.46Å
418	C	93.5	Very high	79	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.1	-177.4	-175	0	0	0	0	111.7	V416 L468 Y469 S470 H549	V416-C418 HydrophobicContact CG1-CB 4.3Å; C418-L468 PolarHBondContact N-O 3.04Å; C418-Y469 HydrophobicContact CB-CD1 3.56Å; C418-Y469 HydrophobicContact CB-CE1 3.93Å; C418-Y469 WeakPolarHBondContact O-CA 3.43Å; C418-S470 PolarHBondContact O-N 3.48Å; C418-H549 WeakPolarHBondContact CA-O 3.26Å
419	V	96.3	Very high	79.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	175	177.5	0	0	0	0	108.6	L421 E531 F532 I535 H549 L550 I551	V419-L421 HydrophobicContact CG1-CD2 3.96Å; V419-L421 HydrophobicContact CG1-CG 4.2Å; V419-E531 HydrophobicContact CG1-CB 3.95Å; V419-E531 HydrophobicContact CG1-CG 4.38Å; V419-E531 HydrophobicContact CG2-CB 4.15Å; V419-F532 HydrophobicContact CB-CE1 4.43Å; V419-F532 HydrophobicContact CB-CE2 4.28Å; V419-F532 HydrophobicContact CB-CZ 4.05Å; V419-F532 HydrophobicContact CG2-CD1 3.88Å; V419-F532 HydrophobicContact CG2-CD2 4.24Å; V419-F532 HydrophobicContact CG2-CE1 3.67Å; V419-F532 HydrophobicContact CG2-CE2 4.03Å; V419-F532 HydrophobicContact CG2-CG 4.16Å; V419-F532 HydrophobicContact CG2-CZ 3.74Å; V419-I535 HydrophobicContact CG2-CD1 3.7Å; V419-H549 PolarHBondContact N-O 2.93Å; V419-L550 HydrophobicContact CB-CD1 4.12Å; V419-L550 HydrophobicContact CG1-CD1 4.04Å; V419-L550 WeakPolarHBondContact O-CA 3.14Å; V419-I551 PolarHBondContact O-N 3.44Å
420	I	96.7	Very high	80.8	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.2	175	-52.6	162.5	0	0	0	108.6	L443 S470 L471 H472 I495 I551 L553	I420-L443 HydrophobicContact CD1-CD1 3.98Å; I420-S470 PolarHBondContact N-O 2.97Å; I420-L471 HydrophobicContact CB-CD1 3.7Å; I420-L471 HydrophobicContact CD1-CD1 4.36Å; I420-L471 HydrophobicContact CG2-CD1 3.52Å; I420-H472 PolarHBondContact O-N 2.9Å; I420-I495 HydrophobicContact CD1-CG2 3.73Å; I420-I551 WeakPolarHBondContact CA-O 3.47Å; I420-I551 HydrophobicContact CG1-CB 4.26Å; I420-I551 HydrophobicContact CG1-CD1 4.36Å; I420-I551 HydrophobicContact CG2-CB 4.35Å; I420-I551 HydrophobicContact CG2-CG2 4.37Å; I420-L553 HydrophobicContact CG2-CD1 4.21Å
421	L	96.6	Very high	81.6	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.7	173.9	-61.8	-173.1	0	0	0	110.2	V419 H472 F474 T482 L524 A528 L550 I551 L552 L553	V419-L421 HydrophobicContact CG1-CD2 3.96Å; V419-L421 HydrophobicContact CG1-CG 4.2Å; L421-H472 HydrophobicContact CD2-CB 3.99Å; L421-F474 HydrophobicContact CB-CD1 4.14Å; L421-F474 HydrophobicContact CB-CE1 4.15Å; L421-T482 HydrophobicContact CD2-CG2 4.42Å; L421-L524 HydrophobicContact CD1-CD1 4.19Å; L421-A528 HydrophobicContact CD1-CB 4.09Å; L421-L550 HydrophobicContact CD1-CD1 4.05Å; L421-L550 HydrophobicContact CG-CD1 3.98Å; L421-I551 PolarHBondContact N-O 3.48Å; L421-L552 HydrophobicContact CB-CD1 3.98Å; L421-L553 PolarHBondContact O-N 2.77Å
422	L	94	Very high	82.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.6	-175	178.7	152.3	0	0	0	110.9	F428 M435 H472 G473 F474 M502 L553	L422-F428 HydrophobicContact CD1-CB 4.26Å; L422-F428 HydrophobicContact CD2-CB 4.09Å; L422-F428 HydrophobicContact CD2-CD2 4.47Å; L422-F428 HydrophobicContact CG-CB 4.17Å; L422-F428 HydrophobicContact CG-CD2 4.13Å; L422-F428 HydrophobicContact CG-CG 4.46Å; L422-M435 HydrophobicContact CD1-CE 3.76Å; L422-H472 PolarHBondContact N-O 3.1Å; L422-G473 CarbonylContact O-C 3.46Å; L422-G473 VanDerWaalsContact O-CA 3.25Å; L422-G473 WeakPolarHBondContact O-CA 3.38Å; L422-F474 VanDerWaalsContact C-CD1 3.49Å; L422-F474 VanDerWaalsContact C-CE1 3.45Å; L422-F474 WeakPolarHBondContact O-CD1 2.92Å; L422-F474 PolarHBondContact O-N 3.46Å; L422-M502 HydrophobicContact CD1-CE 3.92Å; L422-M502 HydrophobicContact CD1-SD 3.9Å; L422-M502 HydrophobicContact CD2-CE 4.41Å; L422-M502 HydrophobicContact CD2-SD 3.49Å; L422-M502 WeakPolarHBondContact CD2-SD 3.33Å; L422-M502 HydrophobicContact CG-SD 4.36Å; L422-L553 HydrophobicContact CD1-CD2 4.19Å; L422-L553 HydrophobicContact CG-CB 4.44Å
423	E	92.1	Very high	83.3	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.7	177.5	-163.9	-169.3	151.4	0	0	111.1	C425 F428 F474 W476 H504 L553 M555 S556	E423-C425 PolarHBondContact O-N 3.34Å; E423-F428 HydrophobicContact CB-CD2 4.37Å; E423-F428 HydrophobicContact CB-CE2 4.18Å; E423-F428 WeakPolarHBondContact O-CD2 3.38Å; E423-F474 WeakPolarHBondContact CA-O 3.38Å; E423-F474 HydrophobicContact CB-CE1 4.07Å; E423-F474 HydrophobicContact CB-CE2 4.05Å; E423-F474 HydrophobicContact CB-CZ 3.68Å; E423-F474 HydrophobicContact CG-CE2 3.94Å; E423-F474 HydrophobicContact CG-CZ 4.1Å; E423-F474 VanDerWaalsContact N-CE1 3.31Å; E423-W476 HydrophobicContact CG-CB 4.38Å; E423-W476 VanDerWaalsContact OE1-CD1 3.25Å; E423-H504 PolarHBondContact O-CE1 3.46Å; E423-L553 PolarHBondContact N-O 3.08Å; E423-M555 PolarHBondContact OE2-N 3.49Å; E423-S556 PolarHBondContact OE1-OG 3.36Å; E423-S556 PolarHBondContact OE2-N 3.04Å
424	H	86.2	Confident	84	Confident	55 Å²	55	31 Å²	31	26%	0.255	16%	0.156	S	C	.	.			trans	-72.5	63	176	-72	-56.7	0	0	0	113.5	G473 F474 H504 H508	H424-G473 WeakPolarHBondContact NE2-CA 3.09Å; H424-F474 PolarHBondContact CD2-O 3.18Å; H424-F474 PolarHBondContact N-O 3.32Å; H424-H504 VanDerWaalsContact C-ND1 3.27Å; H424-H508 PolarHBondContact O-CE1 3.18Å; H424-H508 VanDerWaalsContact O-CE1 3.26Å; H424-H508 PolarHBondContact O-ND1 3.04Å
425	C	78.1	Confident	84.5	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.027	15%	0.145	C	C	.	.			trans	-119.5	143.9	178.6	66.1	0	0	0	0	115.4	E423 P427 F428 H504 H508 M555	E423-C425 PolarHBondContact O-N 3.34Å; C425-P427 VanDerWaalsContact O-N 3.16Å; C425-F428 WeakPolarHBondContact O-CA 3.29Å; C425-F428 PolarHBondContact O-N 2.83Å; C425-F428 WeakPolarHBondContact SG-CD2 3.26Å; C425-F428 WeakPolarHBondContact SG-CE2 3.45Å; C425-H504 PolarHBondContact N-CE1 2.77Å; C425-H504 PolarHBondContact N-ND1 2.87Å; C425-H504 PolarHBondContact O-CE1 3.26Å; C425-H504 VanDerWaalsContact O-CE1 3.23Å; C425-H504 PolarHBondContact O-ND1 3.07Å; C425-H508 VanDerWaalsContact CA-CE1 3.49Å; C425-H508 WeakPolarHBondContact CA-CE1 3.45Å; C425-H508 WeakPolarHBondContact CA-ND1 3.3Å; C425-M555 HydrophobicContact CB-SD 4.1Å
426	R	74.8	Confident	84.8	Confident	152 Å²	152	33.2 Å²	33.2	57%	0.574	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-48.1	-40.2	-172.4	167.6	179.8	-174.7	-143.1	2.8	115.5	F428 N429 H508	R426-F428 PolarHBondContact O-N 3.29Å; R426-N429 VanDerWaalsContact O-CB 3.22Å; R426-N429 WeakPolarHBondContact O-CB 3.49Å; R426-N429 PolarHBondContact O-N 3.01Å; R426-N429 VanDerWaalsContact O-N 3.13Å; R426-H508 WeakPolarHBondContact CA-NE2 3.48Å; R426-H508 WeakPolarHBondContact CB-CD2 2.98Å; R426-H508 WeakPolarHBondContact CB-NE2 3.01Å; R426-H508 PolarHBondContact N-CD2 3.03Å; R426-H508 PolarHBondContact N-CE1 3.4Å; R426-H508 VanDerWaalsContact N-CE1 3.28Å; R426-H508 PolarHBondContact N-NE2 3.04Å
427	P	76.7	Confident	84.7	Confident	32 Å²	32	34.7 Å²	34.7	21%	0.208	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.1	175.8	-30.9	42.7	0	0	0	114.1	C425 N429 S432 F434 M555	C425-P427 VanDerWaalsContact O-N 3.16Å; P427-N429 VanDerWaalsContact C-N 3.32Å; P427-S432 WeakPolarHBondContact O-CB 3.47Å; P427-S432 PolarHBondContact O-OG 2.78Å; P427-F434 HydrophobicContact CB-CD2 4.47Å; P427-M555 HydrophobicContact CB-SD 3.97Å; P427-M555 VanDerWaalsContact CD-SD 3.59Å; P427-M555 HydrophobicContact CG-CE 4.1Å; P427-M555 HydrophobicContact CG-SD 3.45Å; P427-M555 WeakPolarHBondContact CG-SD 3.43Å
428	F	84.8	Confident	84.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-88.5	10.5	176.3	-54.8	-22.4	0	0	0	114.6	L422 E423 C425 R426 M435 H504 L553 M555 P601 W627	L422-F428 HydrophobicContact CD1-CB 4.26Å; L422-F428 HydrophobicContact CD2-CB 4.09Å; L422-F428 HydrophobicContact CD2-CD2 4.47Å; L422-F428 HydrophobicContact CG-CB 4.17Å; L422-F428 HydrophobicContact CG-CD2 4.13Å; L422-F428 HydrophobicContact CG-CG 4.46Å; E423-F428 HydrophobicContact CB-CD2 4.37Å; E423-F428 HydrophobicContact CB-CE2 4.18Å; E423-F428 WeakPolarHBondContact O-CD2 3.38Å; C425-F428 WeakPolarHBondContact O-CA 3.29Å; C425-F428 PolarHBondContact O-N 2.83Å; C425-F428 WeakPolarHBondContact SG-CD2 3.26Å; C425-F428 WeakPolarHBondContact SG-CE2 3.45Å; R426-F428 PolarHBondContact O-N 3.29Å; F428-M435 VanDerWaalsContact CA-CG 3.41Å; F428-M435 VanDerWaalsContact CA-SD 3.58Å; F428-M435 HydrophobicContact CB-CG 4.34Å; F428-M435 HydrophobicContact CB-SD 3.89Å; F428-M435 HydrophobicContact CD1-SD 3.92Å; F428-M435 HydrophobicContact CG-SD 4.21Å; F428-M435 VanDerWaalsContact O-CG 3.24Å; F428-M435 WeakPolarHBondContact O-CG 3.25Å; F428-H504 PolarHBondContact O-NE2 2.9Å; F428-L553 HydrophobicContact CD1-CD2 4.35Å; F428-L553 HydrophobicContact CD2-CB 4.04Å; F428-L553 HydrophobicContact CE1-CB 4.47Å; F428-L553 HydrophobicContact CE1-CD2 4.47Å; F428-L553 VanDerWaalsContact CE2-C 3.48Å; F428-L553 HydrophobicContact CE2-CB 3.68Å; F428-L553 HydrophobicContact CZ-CB 3.92Å; F428-M555 HydrophobicContact CE2-CG 4.35Å; F428-M555 HydrophobicContact CZ-CG 3.96Å; F428-P601 HydrophobicContact CE1-CG 4.26Å; F428-W627 HydrophobicContact CD1-CH2 4.02Å; F428-W627 AromaticContact CE1-CH2 3.49Å; F428-W627 HydrophobicContact CE1-CH2 3.49Å; F428-W627 VanDerWaalsContact CE1-CH2 3.49Å; F428-W627 AromaticContact CE1-CZ3 3.76Å; F428-W627 HydrophobicContact CE1-CZ3 3.76Å; F428-W627 HydrophobicContact CZ-CH2 4.4Å; F428-W627 HydrophobicContact CZ-CZ3 4.32Å
429	N	79.8	Confident	84.4	Confident	28 Å²	28	38 Å²	38	15%	0.15	18%	0.179	C	C	.	.	S	Bend	trans	-71.1	143.8	170.8	-178.1	22.4	0	0	0	112.6	R426 P427 D431 S432 M435 M502 Q503 H504	R426-N429 VanDerWaalsContact O-CB 3.22Å; R426-N429 WeakPolarHBondContact O-CB 3.49Å; R426-N429 PolarHBondContact O-N 3.01Å; R426-N429 VanDerWaalsContact O-N 3.13Å; P427-N429 VanDerWaalsContact C-N 3.32Å; N429-D431 PolarHBondContact ND2-OD2 3.07Å; N429-D431 PolarHBondContact O-N 3.11Å; N429-S432 VanDerWaalsContact O-CB 3.27Å; N429-S432 WeakPolarHBondContact O-CB 3.44Å; N429-S432 PolarHBondContact O-N 3.27Å; N429-S432 PolarHBondContact O-OG 2.64Å; N429-M435 WeakPolarHBondContact O-CG 3.42Å; N429-M502 PolarHBondContact OD1-O 3.49Å; N429-Q503 WeakPolarHBondContact OD1-CA 3.25Å; N429-H504 VanDerWaalsContact CA-CD2 3.47Å; N429-H504 WeakPolarHBondContact CA-CD2 3.37Å
430	C	76.8	Confident	83.9	Confident	18 Å²	18	41.9 Å²	41.9	12%	0.122	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.9	178.1	65.3	0	0	0	0	114.4	S432 K436 V499 M502	C430-S432 VanDerWaalsContact C-N 3.26Å; C430-S432 PolarHBondContact O-N 2.99Å; C430-K436 WeakPolarHBondContact O-CE 3.24Å; C430-V499 WeakPolarHBondContact CB-O 3.45Å; C430-M502 PolarHBondContact N-O 3.08Å; C430-M502 PolarHBondContact SG-O 3.13Å; C430-M502 VanDerWaalsContact SG-O 3.4Å
431	D	72.7	Confident	83.2	Confident	100 Å²	100	44.5 Å²	44.5	54%	0.535	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.9	172.9	-60.6	-53.3	0	0	0	112.6	N429 K436	N429-D431 PolarHBondContact ND2-OD2 3.07Å; N429-D431 PolarHBondContact O-N 3.11Å; D431-K436 PolarHBondContact O-NZ 2.99Å
432	S	78.1	Confident	82.7	Confident	21 Å²	21	44.4 Å²	44.4	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-70.5	147.2	-171.6	102.5	0	0	0	0	112.5	P427 N429 C430 F434 M435 K436	P427-S432 WeakPolarHBondContact O-CB 3.47Å; P427-S432 PolarHBondContact O-OG 2.78Å; N429-S432 VanDerWaalsContact O-CB 3.27Å; N429-S432 WeakPolarHBondContact O-CB 3.44Å; N429-S432 PolarHBondContact O-N 3.27Å; N429-S432 PolarHBondContact O-OG 2.64Å; C430-S432 VanDerWaalsContact C-N 3.26Å; C430-S432 PolarHBondContact O-N 2.99Å; S432-F434 PolarHBondContact O-N 3.21Å; S432-F434 WeakPolarHBondContact OG-CB 3.2Å; S432-F434 PolarHBondContact OG-N 2.76Å; S432-F434 VanDerWaalsContact OG-N 3.17Å; S432-M435 PolarHBondContact OG-N 2.85Å; S432-K436 WeakPolarHBondContact O-CD 3.32Å; S432-K436 WeakPolarHBondContact O-CG 3.22Å; S432-K436 PolarHBondContact O-N 3.03Å
433	L	78.5	Confident	82.5	Confident	110 Å²	110	44.4 Å²	44.4	58%	0.576	21%	0.212	S	C	*	.	H	α-helix	trans	-66.8	-27.5	170.5	-67.3	176.4	0	0	0	111.8	Y437	L433-Y437 WeakPolarHBondContact O-CB 3.39Å; L433-Y437 PolarHBondContact O-N 2.95Å
434	F	78.3	Confident	82.2	Confident	71 Å²	71	45.9 Å²	45.9	31%	0.311	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-44.6	177.1	-62.6	-90.7	0	0	0	111.5	P427 S432 F438 P601 R626 W627	P427-F434 HydrophobicContact CB-CD2 4.47Å; S432-F434 PolarHBondContact O-N 3.21Å; S432-F434 WeakPolarHBondContact OG-CB 3.2Å; S432-F434 PolarHBondContact OG-N 2.76Å; S432-F434 VanDerWaalsContact OG-N 3.17Å; F434-F438 VanDerWaalsContact O-CB 3.29Å; F434-F438 WeakPolarHBondContact O-CB 3.46Å; F434-F438 PolarHBondContact O-N 2.96Å; F434-P601 HydrophobicContact CD1-CB 4.24Å; F434-P601 HydrophobicContact CE1-CB 4.19Å; F434-R626 HydrophobicContact CD1-CB 4.24Å; F434-R626 WeakPolarHBondContact CD1-O 3.42Å; F434-R626 HydrophobicContact CE1-CB 4.34Å; F434-R626 VanDerWaalsContact CE1-O 3.26Å; F434-R626 WeakPolarHBondContact CE1-O 3.2Å; F434-W627 HydrophobicContact CB-CZ2 4.18Å
435	M	84.5	Confident	82	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-76.7	-35.5	179.9	-70.7	-53.7	-72.6	0	0	114	L422 F428 N429 S432 Y437 F438 R439 V499 L553	L422-M435 HydrophobicContact CD1-CE 3.76Å; F428-M435 VanDerWaalsContact CA-CG 3.41Å; F428-M435 VanDerWaalsContact CA-SD 3.58Å; F428-M435 HydrophobicContact CB-CG 4.34Å; F428-M435 HydrophobicContact CB-SD 3.89Å; F428-M435 HydrophobicContact CD1-SD 3.92Å; F428-M435 HydrophobicContact CG-SD 4.21Å; F428-M435 VanDerWaalsContact O-CG 3.24Å; F428-M435 WeakPolarHBondContact O-CG 3.25Å; N429-M435 WeakPolarHBondContact O-CG 3.42Å; S432-M435 PolarHBondContact OG-N 2.85Å; M435-Y437 VanDerWaalsContact C-N 3.32Å; M435-F438 HydrophobicContact CE-CD1 4.08Å; M435-F438 PolarHBondContact O-N 3.11Å; M435-F438 HydrophobicContact SD-CD1 4.4Å; M435-R439 WeakPolarHBondContact O-CB 3.25Å; M435-R439 PolarHBondContact O-N 3.48Å; M435-V499 HydrophobicContact CE-CG1 3.65Å; M435-L553 HydrophobicContact CE-CD2 4.17Å; M435-L553 HydrophobicContact SD-CD2 4.07Å
436	K	85	Confident	82.4	Confident	85 Å²	85	44.6 Å²	44.6	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-48.2	171.6	-72.2	162	179.2	153.9	0	109.7	C430 D431 S432 R439 D440	C430-K436 WeakPolarHBondContact O-CE 3.24Å; D431-K436 PolarHBondContact O-NZ 2.99Å; S432-K436 WeakPolarHBondContact O-CD 3.32Å; S432-K436 WeakPolarHBondContact O-CG 3.22Å; S432-K436 PolarHBondContact O-N 3.03Å; K436-R439 PolarHBondContact O-N 3.04Å; K436-D440 WeakPolarHBondContact O-CB 3.25Å; K436-D440 VanDerWaalsContact O-CG 3.25Å; K436-D440 PolarHBondContact O-N 2.94Å
437	Y	85	Confident	82.9	Confident	36 Å²	36	37.3 Å²	37.3	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-49.6	175.2	-168.4	-93.3	0	0	0	112.6	L433 M435 R439 D440 Q441 Y442 D624 W627	L433-Y437 WeakPolarHBondContact O-CB 3.39Å; L433-Y437 PolarHBondContact O-N 2.95Å; M435-Y437 VanDerWaalsContact C-N 3.32Å; Y437-R439 PolarHBondContact O-N 3.37Å; Y437-D440 PolarHBondContact O-N 3.19Å; Y437-Q441 HydrophobicContact CD1-CB 4.38Å; Y437-Q441 HydrophobicContact CD1-CG 4.3Å; Y437-Q441 HydrophobicContact CD2-CG 4.03Å; Y437-Q441 HydrophobicContact CE1-CB 4.13Å; Y437-Q441 HydrophobicContact CE1-CG 4.06Å; Y437-Q441 HydrophobicContact CE2-CG 3.79Å; Y437-Q441 HydrophobicContact CG-CG 4.27Å; Y437-Q441 WeakPolarHBondContact O-CB 3.41Å; Y437-Q441 PolarHBondContact O-N 2.94Å; Y437-Y442 HydrophobicContact CD1-CE2 4.46Å; Y437-Y442 HydrophobicContact CE1-CE2 4.2Å; Y437-D624 PolarHBondContact OH-OD2 2.89Å; Y437-W627 AromaticContact CD1-NE1 3.97Å
438	F	88.2	Confident	82.9	Confident	3 Å²	3	36 Å²	36	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-43	179	169.5	-95.7	0	0	0	112.9	F434 M435 D440 Y442 L443 I551 L553 F599 W627	F434-F438 VanDerWaalsContact O-CB 3.29Å; F434-F438 WeakPolarHBondContact O-CB 3.46Å; F434-F438 PolarHBondContact O-N 2.96Å; M435-F438 HydrophobicContact CE-CD1 4.08Å; M435-F438 PolarHBondContact O-N 3.11Å; M435-F438 HydrophobicContact SD-CD1 4.4Å; F438-D440 VanDerWaalsContact C-N 3.29Å; F438-D440 PolarHBondContact O-N 2.95Å; F438-Y442 AromaticContact CD2-CD2 3.88Å; F438-Y442 HydrophobicContact CD2-CD2 3.88Å; F438-Y442 HydrophobicContact CD2-CG 4.39Å; F438-Y442 PolarHBondContact O-N 3.3Å; F438-Y442 VanDerWaalsContact O-N 3.08Å; F438-L443 HydrophobicContact CD1-CB 4.26Å; F438-L443 HydrophobicContact CE1-CB 3.8Å; F438-L443 HydrophobicContact CE1-CD1 4.16Å; F438-L443 HydrophobicContact CE1-CD2 4.04Å; F438-L443 HydrophobicContact CE1-CG 4.22Å; F438-L443 HydrophobicContact CZ-CB 4.1Å; F438-L443 HydrophobicContact CZ-CD1 4.16Å; F438-L443 PolarHBondContact O-N 3.19Å; F438-I551 HydrophobicContact CZ-CG2 4.42Å; F438-L553 HydrophobicContact CD1-CD2 4.01Å; F438-L553 HydrophobicContact CD2-CD2 4.4Å; F438-L553 HydrophobicContact CE1-CD1 4.14Å; F438-L553 HydrophobicContact CE1-CD2 3.8Å; F438-L553 HydrophobicContact CE1-CG 4.49Å; F438-L553 HydrophobicContact CE2-CD1 4.34Å; F438-L553 HydrophobicContact CE2-CD2 4.23Å; F438-L553 HydrophobicContact CE2-CG 4.41Å; F438-L553 HydrophobicContact CG-CD2 4.33Å; F438-L553 HydrophobicContact CZ-CD1 3.74Å; F438-L553 HydrophobicContact CZ-CD2 3.95Å; F438-L553 HydrophobicContact CZ-CG 4.19Å; F438-F599 AromaticContact CD2-CD1 3.98Å; F438-F599 HydrophobicContact CD2-CD1 3.98Å; F438-F599 HydrophobicContact CD2-CE1 4.2Å; F438-F599 HydrophobicContact CD2-CG 4.27Å; F438-F599 HydrophobicContact CE2-CB 4.48Å; F438-F599 AromaticContact CE2-CD1 3.8Å; F438-F599 HydrophobicContact CE2-CD1 3.8Å; F438-F599 AromaticContact CE2-CD2 3.85Å; F438-F599 HydrophobicContact CE2-CD2 3.85Å; F438-F599 AromaticContact CE2-CE1 3.88Å; F438-F599 HydrophobicContact CE2-CE1 3.88Å; F438-F599 AromaticContact CE2-CE2 3.94Å; F438-F599 HydrophobicContact CE2-CE2 3.94Å; F438-F599 AromaticContact CE2-CG 3.78Å; F438-F599 HydrophobicContact CE2-CG 3.78Å; F438-F599 AromaticContact CE2-CZ 3.95Å; F438-F599 HydrophobicContact CE2-CZ 3.95Å; F438-W627 HydrophobicContact CB-CH2 4.45Å; F438-W627 HydrophobicContact CB-CZ2 3.63Å; F438-W627 HydrophobicContact CD2-CH2 4.48Å; F438-W627 HydrophobicContact CD2-CZ2 4.26Å; F438-W627 HydrophobicContact CG-CZ2 4.17Å
439	R	89	Confident	82.4	Confident	66 Å²	66	36.7 Å²	36.7	25%	0.249	19%	0.186	C	C	.	.	I	π-helix	trans	-57.4	-44.8	176.7	-176.7	-164.2	67.5	-158.3	-7.3	111.2	M435 K436 Y437 C444 L496 V499	M435-R439 WeakPolarHBondContact O-CB 3.25Å; M435-R439 PolarHBondContact O-N 3.48Å; K436-R439 PolarHBondContact O-N 3.04Å; Y437-R439 PolarHBondContact O-N 3.37Å; R439-C444 VanDerWaalsContact O-CB 3.28Å; R439-C444 WeakPolarHBondContact O-CB 3.28Å; R439-C444 PolarHBondContact O-N 2.79Å; R439-L496 HydrophobicContact CG-CD2 4.16Å; R439-V499 HydrophobicContact CB-CG1 4.46Å
440	D	85	Confident	82.2	Confident	81 Å²	81	36.4 Å²	36.4	43%	0.433	19%	0.185	S	C	.	.	I	π-helix	trans	-86.5	-39.1	-170.2	-62.4	-19.6	0	0	0	112.8	K436 Y437 F438 P445	K436-D440 WeakPolarHBondContact O-CB 3.25Å; K436-D440 VanDerWaalsContact O-CG 3.25Å; K436-D440 PolarHBondContact O-N 2.94Å; Y437-D440 PolarHBondContact O-N 3.19Å; F438-D440 VanDerWaalsContact C-N 3.29Å; F438-D440 PolarHBondContact O-N 2.95Å; D440-P445 WeakPolarHBondContact O-CD 3.41Å
441	Q	82.8	Confident	82	Confident	58 Å²	58	37.1 Å²	37.1	27%	0.271	19%	0.187	S	C	.	.	I	π-helix	trans	-95.7	-24.8	-173.8	-61.7	-66.6	-4.6	0	0	114.8	Y437	Y437-Q441 HydrophobicContact CD1-CB 4.38Å; Y437-Q441 HydrophobicContact CD1-CG 4.3Å; Y437-Q441 HydrophobicContact CD2-CG 4.03Å; Y437-Q441 HydrophobicContact CE1-CB 4.13Å; Y437-Q441 HydrophobicContact CE1-CG 4.06Å; Y437-Q441 HydrophobicContact CE2-CG 3.79Å; Y437-Q441 HydrophobicContact CG-CG 4.27Å; Y437-Q441 WeakPolarHBondContact O-CB 3.41Å; Y437-Q441 PolarHBondContact O-N 2.94Å
442	Y	86.8	Confident	81.6	Confident	1 Å²	1	35 Å²	35	0%	0.004	19%	0.188	C	C	.	.	I	π-helix	trans	-118	-59	179.9	-60	-58.2	0	0	0	112.1	Y437 F438 C444 P445 I446 F599 F622 D624 W627 V647	Y437-Y442 HydrophobicContact CD1-CE2 4.46Å; Y437-Y442 HydrophobicContact CE1-CE2 4.2Å; F438-Y442 AromaticContact CD2-CD2 3.88Å; F438-Y442 HydrophobicContact CD2-CD2 3.88Å; F438-Y442 HydrophobicContact CD2-CG 4.39Å; F438-Y442 PolarHBondContact O-N 3.3Å; F438-Y442 VanDerWaalsContact O-N 3.08Å; Y442-C444 PolarHBondContact O-N 3.33Å; Y442-P445 WeakPolarHBondContact O-CD 3.17Å; Y442-I446 VanDerWaalsContact O-CB 3.27Å; Y442-I446 WeakPolarHBondContact O-CB 3.19Å; Y442-I446 WeakPolarHBondContact O-CD1 3.36Å; Y442-I446 WeakPolarHBondContact O-CG1 3.02Å; Y442-I446 PolarHBondContact O-N 2.65Å; Y442-F599 AromaticContact CD1-CE1 4Å; Y442-F599 HydrophobicContact CD1-CE1 4Å; Y442-F599 HydrophobicContact CD2-CD1 4.17Å; Y442-F599 AromaticContact CD2-CE1 3.7Å; Y442-F599 HydrophobicContact CD2-CE1 3.7Å; Y442-F599 HydrophobicContact CE1-CE1 4.48Å; Y442-F599 HydrophobicContact CE2-CD1 4.48Å; Y442-F599 HydrophobicContact CE2-CE1 4.2Å; Y442-F599 HydrophobicContact CG-CD1 4.48Å; Y442-F599 AromaticContact CG-CE1 3.58Å; Y442-F599 HydrophobicContact CG-CE1 3.58Å; Y442-F599 HydrophobicContact CG-CZ 4.24Å; Y442-F622 HydrophobicContact CE1-CE2 4.08Å; Y442-F622 HydrophobicContact CE1-CZ 4.22Å; Y442-D624 WeakPolarHBondContact OH-CB 3.37Å; Y442-D624 PolarHBondContact OH-OD2 3.39Å; Y442-W627 AromaticContact CE2-CD1 3.89Å; Y442-W627 HydrophobicContact CE2-CG 4.32Å; Y442-V647 HydrophobicContact CE1-CB 4.27Å
443	L	90	Very high	80.5	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.19	C	C	.	.	I	π-helix	trans	-64.9	-47.2	-169.9	-170.6	65.8	0	0	0	112.7	I420 F438 I446 L447 L496 V499 I551	I420-L443 HydrophobicContact CD1-CD1 3.98Å; F438-L443 HydrophobicContact CD1-CB 4.26Å; F438-L443 HydrophobicContact CE1-CB 3.8Å; F438-L443 HydrophobicContact CE1-CD1 4.16Å; F438-L443 HydrophobicContact CE1-CD2 4.04Å; F438-L443 HydrophobicContact CE1-CG 4.22Å; F438-L443 HydrophobicContact CZ-CB 4.1Å; F438-L443 HydrophobicContact CZ-CD1 4.16Å; F438-L443 PolarHBondContact O-N 3.19Å; L443-I446 PolarHBondContact O-N 2.94Å; L443-L447 HydrophobicContact CD1-CD1 3.78Å; L443-L447 HydrophobicContact CD1-CD2 4.47Å; L443-L447 HydrophobicContact CD1-CG 3.97Å; L443-L447 HydrophobicContact CD2-CD1 4.48Å; L443-L447 HydrophobicContact CG-CD1 3.79Å; L443-L447 HydrophobicContact CG-CG 4.26Å; L443-L447 WeakPolarHBondContact O-CB 3.28Å; L443-L447 VanDerWaalsContact O-CG 3.24Å; L443-L447 WeakPolarHBondContact O-CG 3.43Å; L443-L447 PolarHBondContact O-N 3.38Å; L443-L496 HydrophobicContact CD2-CD2 3.9Å; L443-L496 HydrophobicContact CG-CD2 4.07Å; L443-V499 HydrophobicContact CD2-CG2 3.92Å; L443-I551 HydrophobicContact CD1-CD1 4.39Å
444	C	85.3	Confident	79.4	Confident	38 Å²	38	33.3 Å²	33.3	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-45.1	179.8	-170.4	0	0	0	0	112.5	R439 Y442 S448 L496	R439-C444 VanDerWaalsContact O-CB 3.28Å; R439-C444 WeakPolarHBondContact O-CB 3.28Å; R439-C444 PolarHBondContact O-N 2.79Å; Y442-C444 PolarHBondContact O-N 3.33Å; C444-S448 WeakPolarHBondContact O-CB 3.49Å; C444-S448 PolarHBondContact O-N 2.98Å; C444-S448 VanDerWaalsContact O-N 3.08Å; C444-S448 PolarHBondContact O-OG 3.31Å; C444-L496 HydrophobicContact CB-CD1 4.42Å; C444-L496 HydrophobicContact CB-CD2 4.27Å
445	P	81.6	Confident	78.4	Confident	31 Å²	31	31.6 Å²	31.6	20%	0.201	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-50.3	169.3	-29.6	38	0	0	0	114.2	D440 Y442 L447 S448 N449 I646	D440-P445 WeakPolarHBondContact O-CD 3.41Å; Y442-P445 WeakPolarHBondContact O-CD 3.17Å; P445-L447 PolarHBondContact O-N 3.4Å; P445-S448 WeakPolarHBondContact O-CB 3.41Å; P445-S448 PolarHBondContact O-N 3.04Å; P445-S448 VanDerWaalsContact O-N 3.14Å; P445-N449 PolarHBondContact O-N 3.2Å; P445-N449 PolarHBondContact O-OD1 3.33Å; P445-I646 HydrophobicContact CB-CG1 4.08Å
446	I	85.7	Confident	77	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-49.2	-177.8	-70.4	165.7	0	0	0	111.1	Y442 L443 S448 N449 L450 I551 F599 L632 L636 I646	Y442-I446 VanDerWaalsContact O-CB 3.27Å; Y442-I446 WeakPolarHBondContact O-CB 3.19Å; Y442-I446 WeakPolarHBondContact O-CD1 3.36Å; Y442-I446 WeakPolarHBondContact O-CG1 3.02Å; Y442-I446 PolarHBondContact O-N 2.65Å; L443-I446 PolarHBondContact O-N 2.94Å; I446-S448 VanDerWaalsContact C-N 3.26Å; I446-S448 PolarHBondContact O-N 3.23Å; I446-N449 PolarHBondContact O-N 2.75Å; I446-L450 HydrophobicContact CG2-CD1 3.89Å; I446-L450 HydrophobicContact CG2-CG 4.42Å; I446-L450 WeakPolarHBondContact O-CB 3.41Å; I446-L450 VanDerWaalsContact O-CG 3.31Å; I446-L450 WeakPolarHBondContact O-CG 3.24Å; I446-L450 PolarHBondContact O-N 2.98Å; I446-I551 HydrophobicContact CG2-CD1 3.85Å; I446-F599 HydrophobicContact CD1-CE2 4.46Å; I446-F599 HydrophobicContact CD1-CZ 3.86Å; I446-L632 HydrophobicContact CD1-CD2 3.83Å; I446-L636 HydrophobicContact CD1-CD1 4.44Å; I446-L636 HydrophobicContact CG1-CD1 4.17Å; I446-L636 HydrophobicContact CG2-CD1 3.9Å; I446-L636 HydrophobicContact CG2-CD2 4.1Å; I446-I646 HydrophobicContact CG1-CD1 4.04Å; I446-I646 HydrophobicContact CG1-CG1 4.38Å; I446-I646 HydrophobicContact CG1-CG2 4.03Å
447	L	86	Confident	75.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-28.4	179.2	-62.5	179.9	0	0	0	112.3	L443 P445 N451 Y469 I492 I495 L496	L443-L447 HydrophobicContact CD1-CD1 3.78Å; L443-L447 HydrophobicContact CD1-CD2 4.47Å; L443-L447 HydrophobicContact CD1-CG 3.97Å; L443-L447 HydrophobicContact CD2-CD1 4.48Å; L443-L447 HydrophobicContact CG-CD1 3.79Å; L443-L447 HydrophobicContact CG-CG 4.26Å; L443-L447 WeakPolarHBondContact O-CB 3.28Å; L443-L447 VanDerWaalsContact O-CG 3.24Å; L443-L447 WeakPolarHBondContact O-CG 3.43Å; L443-L447 PolarHBondContact O-N 3.38Å; P445-L447 PolarHBondContact O-N 3.4Å; L447-N451 VanDerWaalsContact O-CB 3.25Å; L447-N451 WeakPolarHBondContact O-CB 3.29Å; L447-N451 PolarHBondContact O-N 3.14Å; L447-Y469 HydrophobicContact CD2-CD1 3.64Å; L447-Y469 HydrophobicContact CD2-CE1 3.81Å; L447-I492 HydrophobicContact CB-CD1 4.27Å; L447-I492 HydrophobicContact CB-CG1 4.35Å; L447-I492 HydrophobicContact CB-CG2 3.86Å; L447-I492 HydrophobicContact CD1-CG2 3.92Å; L447-I492 WeakPolarHBondContact O-CD1 3.35Å; L447-I495 HydrophobicContact CD1-CG2 4.15Å; L447-L496 HydrophobicContact CD1-CD2 4.46Å
448	S	76.5	Confident	74.1	Confident	5 Å²	5	37 Å²	37	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-70	-48.3	173.2	-59	0	0	0	0	112.1	C444 P445 I446 N451 G452 G453	C444-S448 WeakPolarHBondContact O-CB 3.49Å; C444-S448 PolarHBondContact O-N 2.98Å; C444-S448 VanDerWaalsContact O-N 3.08Å; C444-S448 PolarHBondContact O-OG 3.31Å; P445-S448 WeakPolarHBondContact O-CB 3.41Å; P445-S448 PolarHBondContact O-N 3.04Å; P445-S448 VanDerWaalsContact O-N 3.14Å; I446-S448 VanDerWaalsContact C-N 3.26Å; I446-S448 PolarHBondContact O-N 3.23Å; S448-N451 CarbonylContact O-C 3.54Å; S448-N451 WeakPolarHBondContact O-CA 3.37Å; S448-N451 PolarHBondContact O-N 3.47Å; S448-N451 VanDerWaalsContact O-N 3.08Å; S448-G452 PolarHBondContact O-N 3.31Å; S448-G452 VanDerWaalsContact O-N 3.14Å; S448-G453 CarbonylContact C-O 3.38Å; S448-G453 VanDerWaalsContact CA-O 3.26Å; S448-G453 WeakPolarHBondContact CA-O 3.47Å; S448-G453 WeakPolarHBondContact CB-O 3.25Å; S448-G453 PolarHBondContact O-N 3.14Å
449	N	74.9	Confident	72.6	Confident	14 Å²	14	41.3 Å²	41.3	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-41.5	-179.5	-77	36.8	0	0	0	111.3	P445 I446 N451 G452 S639 R644 I646	P445-N449 PolarHBondContact O-N 3.2Å; P445-N449 PolarHBondContact O-OD1 3.33Å; I446-N449 PolarHBondContact O-N 2.75Å; N449-N451 PolarHBondContact O-N 2.98Å; N449-G452 PolarHBondContact O-N 2.7Å; N449-S639 PolarHBondContact ND2-OG 3.02Å; N449-R644 PolarHBondContact ND2-O 2.95Å; N449-I646 HydrophobicContact CB-CD1 3.99Å; N449-I646 HydrophobicContact CB-CG1 4.46Å
450	L	76.2	Confident	71	Confident	22 Å²	22	44.7 Å²	44.7	12%	0.115	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-33.5	171	-72.4	175.2	0	0	0	112.4	V416 I446 G452 H549 L636	V416-L450 HydrophobicContact CG1-CB 4.21Å; V416-L450 HydrophobicContact CG1-CD1 4.32Å; V416-L450 HydrophobicContact CG1-CD2 4.1Å; V416-L450 HydrophobicContact CG1-CG 4.44Å; V416-L450 HydrophobicContact CG2-CB 4.23Å; V416-L450 HydrophobicContact CG2-CD2 4.48Å; V416-L450 WeakPolarHBondContact CG2-O 3.03Å; I446-L450 HydrophobicContact CG2-CD1 3.89Å; I446-L450 HydrophobicContact CG2-CG 4.42Å; I446-L450 WeakPolarHBondContact O-CB 3.41Å; I446-L450 VanDerWaalsContact O-CG 3.31Å; I446-L450 WeakPolarHBondContact O-CG 3.24Å; I446-L450 PolarHBondContact O-N 2.98Å; L450-G452 VanDerWaalsContact C-N 3.27Å; L450-G452 PolarHBondContact O-N 3.08Å; L450-H549 HydrophobicContact CD1-CB 4.21Å; L450-L636 HydrophobicContact CD2-CD2 3.78Å; L450-L636 HydrophobicContact CG-CD2 3.87Å
451	N	73	Confident	69.7	Low	33 Å²	33	42.2 Å²	42.2	18%	0.176	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.3	176.2	-167.1	77.6	0	0	0	113.5	L447 S448 N449 G453 I492	L447-N451 VanDerWaalsContact O-CB 3.25Å; L447-N451 WeakPolarHBondContact O-CB 3.29Å; L447-N451 PolarHBondContact O-N 3.14Å; S448-N451 CarbonylContact O-C 3.54Å; S448-N451 WeakPolarHBondContact O-CA 3.37Å; S448-N451 PolarHBondContact O-N 3.47Å; S448-N451 VanDerWaalsContact O-N 3.08Å; N449-N451 PolarHBondContact O-N 2.98Å; N451-G453 PolarHBondContact O-N 3.35Å; N451-I492 HydrophobicContact CB-CD1 3.73Å
452	G	62.7	Low	68.8	Low	54 Å²	54	45 Å²	45	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	17.4	-175	0	0	0	0	0	114.5	S448 N449 L450	S448-G452 PolarHBondContact O-N 3.31Å; S448-G452 VanDerWaalsContact O-N 3.14Å; N449-G452 PolarHBondContact O-N 2.7Å; L450-G452 VanDerWaalsContact C-N 3.27Å; L450-G452 PolarHBondContact O-N 3.08Å
453	G	56.7	Low	67.8	Low	17 Å²	17	45.8 Å²	45.8	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	174.3	-177.6	-170	0	0	0	0	0	114.6	S448 N451	S448-G453 CarbonylContact C-O 3.38Å; S448-G453 VanDerWaalsContact CA-O 3.26Å; S448-G453 WeakPolarHBondContact CA-O 3.47Å; S448-G453 WeakPolarHBondContact CB-O 3.25Å; S448-G453 PolarHBondContact O-N 3.14Å; N451-G453 PolarHBondContact O-N 3.35Å
454	P	54.7	Low	66.8	Low	80 Å²	80	45.9 Å²	45.9	52%	0.519	27%	0.272	S	S	.	.	S	Bend	trans	-61.6	153.4	177.2	27.6	-34.9	0	0	0	112.2	L456	P454-L456 PolarHBondContact O-N 2.94Å
455	P	56.3	Low	66.1	Low	34 Å²	34	45.1 Å²	45.1	22%	0.221	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-52.7	124.8	179.9	-30.2	38	0	0	0	113.1	N457 I492	P455-N457 PolarHBondContact O-N 3.46Å; P455-I492 HydrophobicContact CB-CB 4.01Å; P455-I492 HydrophobicContact CB-CG2 3.82Å; P455-I492 HydrophobicContact CG-CG2 4.09Å
456	L	56.9	Low	65.9	Low	60 Å²	60	44.7 Å²	44.7	31%	0.314	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-67.1	118.8	177.9	-59	179.7	0	0	0	110.3	P454 F460	P454-L456 PolarHBondContact O-N 2.94Å; L456-F460 HydrophobicContact CD1-CD2 4.1Å; L456-F460 HydrophobicContact CD1-CE2 4.01Å; L456-F460 HydrophobicContact CD2-CE2 4.27Å
457	N	55.2	Low	65.8	Low	126 Å²	126	45.6 Å²	45.6	67%	0.674	27%	0.267	S	S	*	.			trans	-92.4	-5.1	172.9	-73.8	-33.4	0	0	0	112.9	P455	P455-N457 PolarHBondContact O-N 3.46Å
458	A	53.4	Low	66	Low	52 Å²	52	45.6 Å²	45.6	43%	0.43	27%	0.267	S	S	.	.	S	Bend	trans	-96	140.3	176.8	0	0	0	0	0	111	F460	A458-F460 HydrophobicContact CB-CD2 4.28Å; A458-F460 HydrophobicContact CB-CE2 3.87Å; A458-F460 HydrophobicContact CB-CZ 4.23Å; A458-F460 PolarHBondContact O-N 3.35Å
459	D	57	Low	66.7	Low	94 Å²	94	45.3 Å²	45.3	50%	0.503	27%	0.265	S	S	.	.			trans	-86.6	94.6	169.8	-142.2	-47.6	0	0	0	108.3	G461 I491 K494	D459-G461 PolarHBondContact O-N 3.08Å; D459-G461 PolarHBondContact OD1-N 3.18Å; D459-I491 HydrophobicContact CB-CD1 3.67Å; D459-I491 VanDerWaalsContact OD2-CD1 3.3Å; D459-I491 WeakPolarHBondContact OD2-CD1 3.47Å; D459-K494 IonicContact OD2-NZ 3.56Å; D459-K494 PolarHBondContact OD2-NZ 2.97Å
460	F	55.2	Low	67.6	Low	136 Å²	136	44.7 Å²	44.7	60%	0.596	26%	0.262	S	S	*	.			trans	-71.1	1.1	171	-69.2	-82	0	0	0	112.5	L456 A458 T466	L456-F460 HydrophobicContact CD1-CD2 4.1Å; L456-F460 HydrophobicContact CD1-CE2 4.01Å; L456-F460 HydrophobicContact CD2-CE2 4.27Å; A458-F460 HydrophobicContact CB-CD2 4.28Å; A458-F460 HydrophobicContact CB-CE2 3.87Å; A458-F460 HydrophobicContact CB-CZ 4.23Å; A458-F460 PolarHBondContact O-N 3.35Å; F460-T466 HydrophobicContact CB-CG2 4.11Å
461	G	56.4	Low	68.5	Low	29 Å²	29	43.6 Å²	43.6	30%	0.299	26%	0.256	S	S	.	.			trans	86.2	159.3	-169	0	0	0	0	0	111.9	D459 D463	D459-G461 PolarHBondContact O-N 3.08Å; D459-G461 PolarHBondContact OD1-N 3.18Å; G461-D463 VanDerWaalsContact C-N 3.34Å; G461-D463 PolarHBondContact O-N 2.91Å
462	R	64.7	Low	69.6	Low	116 Å²	116	42.1 Å²	42.1	44%	0.438	25%	0.248	S	C	.	.	S	Bend	trans	-90.3	76.7	168	-176.5	-175.9	-179.6	-155	6.7	107.8	L468 D488 A538	R462-L468 HydrophobicContact CG-CD2 3.92Å; R462-D488 IonicContact CZ-OD2 2.71Å; R462-D488 IonicContact NH2-OD2 3.63Å; R462-D488 PolarHBondContact NH2-OD2 3.05Å; R462-A538 VanDerWaalsContact NH2-CB 3.26Å
463	D	66.1	Low	71	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.102	22%	0.221	C	C	.	.			trans	-88	-173.3	169.7	75.3	3.9	0	0	0	110.7	G461 Y465 T466	G461-D463 VanDerWaalsContact C-N 3.34Å; G461-D463 PolarHBondContact O-N 2.91Å; D463-Y465 PolarHBondContact OD1-N 3.29Å; D463-T466 PolarHBondContact O-OG1 2.96Å; D463-T466 WeakPolarHBondContact OD1-CB 3.09Å; D463-T466 WeakPolarHBondContact OD1-CG2 3.35Å; D463-T466 PolarHBondContact OD1-N 2.78Å; D463-T466 PolarHBondContact OD1-OG1 3.45Å
464	A	67.8	Low	72.7	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.017	21%	0.213	C	C	.	.	S	Bend	trans	-85.3	-3.7	-179.4	0	0	0	0	0	115	R539 L542 C543	A464-R539 WeakPolarHBondContact CB-O 3.43Å; A464-R539 PolarHBondContact O-NH1 2.75Å; A464-L542 HydrophobicContact CB-CB 3.74Å; A464-L542 HydrophobicContact CB-CD1 3.9Å; A464-L542 HydrophobicContact CB-CG 4.36Å; A464-C543 VanDerWaalsContact O-CB 3.25Å; A464-C543 WeakPolarHBondContact O-CB 3.43Å
465	Y	70.7	Confident	74.3	Confident	23 Å²	23	37.8 Å²	37.8	9%	0.09	21%	0.208	C	C	.	.	S	Bend	trans	-122.8	-8.1	-170.5	-62.3	-70.8	0	0	0	114.4	V279 A410 P415 D463 L542 C543	V279-Y465 HydrophobicContact CB-CE2 4.1Å; V279-Y465 HydrophobicContact CG1-CE2 3.56Å; V279-Y465 WeakPolarHBondContact CG1-OH 3.46Å; V279-Y465 HydrophobicContact CG2-CE2 4.44Å; A410-Y465 HydrophobicContact CB-CD1 3.5Å; A410-Y465 HydrophobicContact CB-CD2 4.21Å; A410-Y465 HydrophobicContact CB-CE1 3.84Å; A410-Y465 HydrophobicContact CB-CG 3.71Å; P415-Y465 VanDerWaalsContact CB-O 3.24Å; P415-Y465 WeakPolarHBondContact CB-O 3.49Å; P415-Y465 VanDerWaalsContact CG-O 3.32Å; P415-Y465 WeakPolarHBondContact CG-O 3.39Å; D463-Y465 PolarHBondContact OD1-N 3.29Å; Y465-L542 HydrophobicContact CE2-CB 4.48Å; Y465-L542 PolarHBondContact OH-O 2.81Å; Y465-C543 HydrophobicContact CD1-CB 3.86Å; Y465-C543 HydrophobicContact CE1-CB 3.76Å
466	T	77.2	Confident	75.8	Confident	22 Å²	22	37 Å²	37	14%	0.135	20%	0.2	C	C	.	.	S	Bend	trans	-71.6	153.2	166.3	39.2	0	0	0	0	111.6	F460 D463 R539	F460-T466 HydrophobicContact CB-CG2 4.11Å; D463-T466 PolarHBondContact O-OG1 2.96Å; D463-T466 WeakPolarHBondContact OD1-CB 3.09Å; D463-T466 WeakPolarHBondContact OD1-CG2 3.35Å; D463-T466 PolarHBondContact OD1-N 2.78Å; D463-T466 PolarHBondContact OD1-OG1 3.45Å; T466-R539 VanDerWaalsContact O-CZ 3.28Å; T466-R539 PolarHBondContact O-NH1 3.36Å; T466-R539 PolarHBondContact O-NH2 3.04Å
467	S	85.1	Confident	77.1	Confident	19 Å²	19	40.9 Å²	40.9	13%	0.133	21%	0.211	C	C	.	.			trans	-69.3	142.1	167.4	-62.9	0	0	0	0	110.3	V416 P490	V416-S467 PolarHBondContact N-OG 3.44Å; V416-S467 CarbonylContact O-C 3.45Å; V416-S467 VanDerWaalsContact O-CA 3.22Å; V416-S467 WeakPolarHBondContact O-CA 3.43Å; V416-S467 WeakPolarHBondContact O-CB 3.41Å; S467-P490 VanDerWaalsContact O-CA 3.25Å; S467-P490 WeakPolarHBondContact O-CA 3.46Å; S467-P490 WeakPolarHBondContact O-CB 3.18Å
468	L	89.2	Confident	78.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125	-174.3	-64.1	177	0	0	0	111.1	V416 C418 R462 I535 A538 R539	V416-L468 PolarHBondContact O-N 3Å; C418-L468 PolarHBondContact N-O 3.04Å; R462-L468 HydrophobicContact CG-CD2 3.92Å; L468-I535 HydrophobicContact CB-CG2 4.16Å; L468-I535 HydrophobicContact CD1-CG2 3.88Å; L468-A538 HydrophobicContact CD1-CB 4.45Å; L468-R539 HydrophobicContact CD1-CG 4.17Å
469	Y	91.8	Very high	80.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.4	-176.7	-55.2	-88.2	0	0	0	110.1	C418 L447 D488 T489 I492	C418-Y469 HydrophobicContact CB-CD1 3.56Å; C418-Y469 HydrophobicContact CB-CE1 3.93Å; C418-Y469 WeakPolarHBondContact O-CA 3.43Å; L447-Y469 HydrophobicContact CD2-CD1 3.64Å; L447-Y469 HydrophobicContact CD2-CE1 3.81Å; Y469-D488 WeakPolarHBondContact O-CA 3.39Å; Y469-T489 WeakPolarHBondContact CD2-O 3.47Å; Y469-T489 PolarHBondContact N-O 3.25Å; Y469-T489 PolarHBondContact O-N 2.87Å; Y469-I492 HydrophobicContact CD1-CG1 4.45Å; Y469-I492 HydrophobicContact CD2-CG1 3.78Å; Y469-I492 HydrophobicContact CE1-CD1 4.46Å; Y469-I492 HydrophobicContact CE1-CG1 4.32Å; Y469-I492 HydrophobicContact CE2-CD1 3.87Å; Y469-I492 HydrophobicContact CE2-CG1 3.62Å; Y469-I492 HydrophobicContact CG-CG1 4.22Å
470	S	93.6	Very high	82	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.3	176.4	70.1	0	0	0	0	112	C418 I420 H472	C418-S470 PolarHBondContact O-N 3.48Å; I420-S470 PolarHBondContact N-O 2.97Å; S470-H472 WeakPolarHBondContact CB-NE2 3.26Å; S470-H472 PolarHBondContact OG-NE2 2.98Å
471	L	95.2	Very high	83.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121	-176.2	175.9	66.9	0	0	0	110.1	I420 L485 M486 I495 R498 V499 M502	I420-L471 HydrophobicContact CB-CD1 3.7Å; I420-L471 HydrophobicContact CD1-CD1 4.36Å; I420-L471 HydrophobicContact CG2-CD1 3.52Å; L471-L485 HydrophobicContact CD2-CB 4.34Å; L471-L485 HydrophobicContact CG-CB 4.18Å; L471-L485 WeakPolarHBondContact O-CA 3.42Å; L471-L485 WeakPolarHBondContact O-CB 3.42Å; L471-L485 PolarHBondContact O-N 2.95Å; L471-M486 HydrophobicContact CB-CB 4.09Å; L471-M486 PolarHBondContact N-O 3.18Å; L471-M486 PolarHBondContact O-N 3.29Å; L471-I495 HydrophobicContact CB-CD1 3.98Å; L471-R498 HydrophobicContact CD2-CB 4.15Å; L471-R498 HydrophobicContact CD2-CG 3.97Å; L471-V499 HydrophobicContact CD2-CG2 3.74Å; L471-M502 HydrophobicContact CD1-CE 4.44Å; L471-M502 HydrophobicContact CD2-CE 3.83Å; L471-M502 HydrophobicContact CG-CE 4.37Å
472	H	95.2	Very high	85.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.1	-174.8	-50.9	-97.8	0	0	0	111	I420 L421 L422 S470 T482 T483 T484 E531	I420-H472 PolarHBondContact O-N 2.9Å; L421-H472 HydrophobicContact CD2-CB 3.99Å; L422-H472 PolarHBondContact N-O 3.1Å; S470-H472 WeakPolarHBondContact CB-NE2 3.26Å; S470-H472 PolarHBondContact OG-NE2 2.98Å; H472-T482 HydrophobicContact CB-CG2 4.42Å; H472-T483 WeakPolarHBondContact CA-O 3.37Å; H472-T484 PolarHBondContact ND1-OG1 2.87Å; H472-E531 IonicContact CE1-OE1 3.93Å; H472-E531 IonicContact CE1-OE2 2.65Å; H472-E531 PolarHBondContact CE1-OE2 2.82Å; H472-E531 IonicContact ND1-OE1 3.04Å; H472-E531 IonicContact ND1-OE2 3.72Å; H472-E531 IonicContact NE2-OE2 2.75Å
473	G	92.6	Very high	86.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149	169.8	0	0	0	0	0	111.3	L422 H424 T482 T483	L422-G473 CarbonylContact O-C 3.46Å; L422-G473 VanDerWaalsContact O-CA 3.25Å; L422-G473 WeakPolarHBondContact O-CA 3.38Å; H424-G473 WeakPolarHBondContact NE2-CA 3.09Å; G473-T482 CarbonylContact O-C 3.43Å; G473-T482 WeakPolarHBondContact O-CA 2.9Å; G473-T483 PolarHBondContact N-O 3.04Å; G473-T483 PolarHBondContact O-N 2.73Å
474	F	92.8	Very high	87.8	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154	172.6	72.8	-88.1	0	0	0	112.5	L421 L422 E423 H424 P479 T519 L524 L552 A554	L421-F474 HydrophobicContact CB-CD1 4.14Å; L421-F474 HydrophobicContact CB-CE1 4.15Å; L422-F474 VanDerWaalsContact C-CD1 3.49Å; L422-F474 VanDerWaalsContact C-CE1 3.45Å; L422-F474 WeakPolarHBondContact O-CD1 2.92Å; L422-F474 PolarHBondContact O-N 3.46Å; E423-F474 WeakPolarHBondContact CA-O 3.38Å; E423-F474 HydrophobicContact CB-CE1 4.07Å; E423-F474 HydrophobicContact CB-CE2 4.05Å; E423-F474 HydrophobicContact CB-CZ 3.68Å; E423-F474 HydrophobicContact CG-CE2 3.94Å; E423-F474 HydrophobicContact CG-CZ 4.1Å; E423-F474 VanDerWaalsContact N-CE1 3.31Å; H424-F474 PolarHBondContact CD2-O 3.18Å; H424-F474 PolarHBondContact N-O 3.32Å; F474-P479 HydrophobicContact CD2-CB 4.04Å; F474-T519 HydrophobicContact CE2-CG2 4.22Å; F474-L524 HydrophobicContact CD1-CD1 4.36Å; F474-L524 HydrophobicContact CD2-CD1 4.12Å; F474-L524 HydrophobicContact CE1-CD1 4.19Å; F474-L524 HydrophobicContact CE2-CD1 3.95Å; F474-L524 HydrophobicContact CG-CD1 4.34Å; F474-L524 HydrophobicContact CZ-CD1 3.98Å; F474-L552 HydrophobicContact CE1-CD1 3.84Å; F474-L552 HydrophobicContact CZ-CD1 4.03Å; F474-A554 HydrophobicContact CZ-CB 4.48Å
475	C	88.8	Confident	88.8	Confident	59 Å²	59	37.3 Å²	37.3	40%	0.399	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128	170.6	175.9	0	0	0	0	109	R477 K478 P479	C475-R477 PolarHBondContact O-N 3.2Å; C475-R477 VanDerWaalsContact O-N 3.11Å; C475-K478 CarbonylContact O-C 3.49Å; C475-K478 WeakPolarHBondContact O-CA 3.36Å; C475-K478 PolarHBondContact O-N 3.4Å; C475-P479 VanDerWaalsContact O-N 3.12Å
476	W	87.5	Confident	89.8	Confident	18 Å²	18	38.1 Å²	38.1	7%	0.068	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	-175.1	72.3	-107.6	0	0	0	113.9	E423 K478 T509 I513 E517 T519 P520 S556	E423-W476 HydrophobicContact CG-CB 4.38Å; E423-W476 VanDerWaalsContact OE1-CD1 3.25Å; W476-K478 VanDerWaalsContact C-N 3.28Å; W476-K478 PolarHBondContact O-N 3.11Å; W476-T509 HydrophobicContact CZ2-CG2 3.69Å; W476-T509 WeakPolarHBondContact CZ2-OG1 3.22Å; W476-T509 PolarHBondContact NE1-OG1 3.49Å; W476-I513 HydrophobicContact CH2-CG2 4.02Å; W476-I513 HydrophobicContact CZ2-CD1 3.85Å; W476-I513 HydrophobicContact CZ2-CG1 4.29Å; W476-I513 HydrophobicContact CZ2-CG2 4.28Å; W476-E517 HydrophobicContact CH2-CG 3.99Å; W476-E517 VanDerWaalsContact CH2-O 3.25Å; W476-E517 WeakPolarHBondContact CH2-O 3.5Å; W476-E517 WeakPolarHBondContact CH2-OE1 3.42Å; W476-E517 HydrophobicContact CZ3-CG 4.23Å; W476-E517 WeakPolarHBondContact CZ3-O 3.41Å; W476-T519 HydrophobicContact CB-CG2 4.44Å; W476-T519 WeakPolarHBondContact CB-OG1 3.5Å; W476-P520 WeakPolarHBondContact O-CD 3.46Å; W476-S556 VanDerWaalsContact CG-OG 3.29Å
477	R	83.7	Confident	90.3	Very high	141 Å²	141	40.9 Å²	40.9	53%	0.532	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.7	175.9	-72.4	-174.8	164.1	174.7	-6.8	114.5	C475 E517	C475-R477 PolarHBondContact O-N 3.2Å; C475-R477 VanDerWaalsContact O-N 3.11Å; R477-E517 IonicContact CZ-OE1 3.18Å; R477-E517 IonicContact NE-OE1 3.75Å; R477-E517 IonicContact NH2-OE1 2.69Å; R477-E517 PolarHBondContact NH2-OE1 3.45Å
478	K	87.8	Confident	90.4	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	62.2	-178.5	-61.9	-170.3	-176.4	179.9	0	110.1	C475 W476 M480 Q481	C475-K478 CarbonylContact O-C 3.49Å; C475-K478 WeakPolarHBondContact O-CA 3.36Å; C475-K478 PolarHBondContact O-N 3.4Å; W476-K478 VanDerWaalsContact C-N 3.28Å; W476-K478 PolarHBondContact O-N 3.11Å; K478-M480 PolarHBondContact O-N 3.08Å; K478-M480 VanDerWaalsContact O-N 3.16Å; K478-Q481 HydrophobicContact CB-CB 4.3Å; K478-Q481 HydrophobicContact CB-CG 4.33Å; K478-Q481 PolarHBondContact O-N 2.79Å
479	P	90	Very high	90.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-21.4	-174.6	28.9	-33.7	0	0	0	111.9	F474 C475 Q481 T519 P520 E523 L524 A527	F474-P479 HydrophobicContact CD2-CB 4.04Å; C475-P479 VanDerWaalsContact O-N 3.12Å; P479-Q481 PolarHBondContact O-N 3.4Å; P479-T519 HydrophobicContact CB-CG2 4.01Å; P479-T519 HydrophobicContact CG-CG2 3.94Å; P479-P520 HydrophobicContact CG-CG 3.83Å; P479-E523 HydrophobicContact CG-CB 3.73Å; P479-L524 HydrophobicContact CB-CB 4.06Å; P479-L524 HydrophobicContact CB-CD1 3.88Å; P479-L524 HydrophobicContact CG-CB 4.33Å; P479-A527 WeakPolarHBondContact O-CB 3.13Å
480	M	90.7	Very high	89.8	Confident	49 Å²	49	41.7 Å²	41.7	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-12.5	167.8	-87.4	-86.6	78.6	0	0	115.8	K478 E523 Q526 A527 K530	K478-M480 PolarHBondContact O-N 3.08Å; K478-M480 VanDerWaalsContact O-N 3.16Å; M480-E523 HydrophobicContact CG-CB 3.75Å; M480-E523 HydrophobicContact CG-CG 3.8Å; M480-Q526 HydrophobicContact CE-CB 3.79Å; M480-Q526 HydrophobicContact CE-CG 3.81Å; M480-Q526 HydrophobicContact SD-CB 4.22Å; M480-Q526 HydrophobicContact SD-CG 3.96Å; M480-A527 VanDerWaalsContact CE-CA 3.45Å; M480-A527 HydrophobicContact CE-CB 3.82Å; M480-K530 HydrophobicContact CE-CD 3.73Å; M480-K530 PolarHBondContact SD-NZ 3.01Å
481	Q	88.3	Confident	89.3	Confident	124 Å²	124	42.4 Å²	42.4	58%	0.579	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	73.1	178.5	-63.3	-168.7	-24	0	0	109.9	K478 P479	K478-Q481 HydrophobicContact CB-CB 4.3Å; K478-Q481 HydrophobicContact CB-CG 4.33Å; K478-Q481 PolarHBondContact O-N 2.79Å; P479-Q481 PolarHBondContact O-N 3.4Å
482	T	91.4	Very high	88.8	Confident	41 Å²	41	42.4 Å²	42.4	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.9	173.7	44.1	0	0	0	0	111.6	L421 H472 G473 A527 E531	L421-T482 HydrophobicContact CD2-CG2 4.42Å; H472-T482 HydrophobicContact CB-CG2 4.42Å; G473-T482 CarbonylContact O-C 3.43Å; G473-T482 WeakPolarHBondContact O-CA 2.9Å; T482-A527 HydrophobicContact CG2-CB 4.08Å; T482-E531 VanDerWaalsContact CB-OE1 3.24Å; T482-E531 WeakPolarHBondContact CB-OE1 3.27Å; T482-E531 PolarHBondContact OG1-OE1 3.02Å
483	T	90.6	Very high	88.4	Confident	73 Å²	73	48.7 Å²	48.7	45%	0.448	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.7	172.2	-63.2	0	0	0	0	108.1	H472 G473 L485	H472-T483 WeakPolarHBondContact CA-O 3.37Å; G473-T483 PolarHBondContact N-O 3.04Å; G473-T483 PolarHBondContact O-N 2.73Å; T483-L485 HydrophobicContact CG2-CD2 4.09Å; T483-L485 WeakPolarHBondContact O-CG 3.31Å; T483-L485 PolarHBondContact O-N 3.38Å; T483-L485 VanDerWaalsContact O-N 3.1Å
484	T	93.3	Very high	88.1	Confident	76 Å²	76	52.1 Å²	52.1	47%	0.466	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	112.2	177.7	-49.3	0	0	0	0	110.6	H472 P487	H472-T484 PolarHBondContact ND1-OG1 2.87Å; T484-P487 HydrophobicContact CG2-CB 4.12Å
485	L	90.3	Very high	88	Confident	22 Å²	22	52 Å²	52	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-29.7	179.8	-58.2	176.7	0	0	0	111.7	L471 T483 R498 M502	L471-L485 HydrophobicContact CD2-CB 4.34Å; L471-L485 HydrophobicContact CG-CB 4.18Å; L471-L485 WeakPolarHBondContact O-CA 3.42Å; L471-L485 WeakPolarHBondContact O-CB 3.42Å; L471-L485 PolarHBondContact O-N 2.95Å; T483-L485 HydrophobicContact CG2-CD2 4.09Å; T483-L485 WeakPolarHBondContact O-CG 3.31Å; T483-L485 PolarHBondContact O-N 3.38Å; T483-L485 VanDerWaalsContact O-N 3.1Å; L485-R498 HydrophobicContact CB-CG 4.34Å; L485-R498 WeakPolarHBondContact O-CD 3.24Å; L485-R498 WeakPolarHBondContact O-CG 3.43Å; L485-R498 PolarHBondContact O-NE 3.01Å; L485-M502 HydrophobicContact CD1-CE 3.51Å; L485-M502 HydrophobicContact CD1-CG 4.26Å; L485-M502 HydrophobicContact CD1-SD 3.56Å; L485-M502 VanDerWaalsContact CD1-SD 3.56Å
486	M	90.9	Very high	88	Confident	40 Å²	40	50.3 Å²	50.3	20%	0.197	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	122.6	164.5	-173.5	61.8	58.1	0	0	108.5	L471 T489 K494 I495 R498	L471-M486 HydrophobicContact CB-CB 4.09Å; L471-M486 PolarHBondContact N-O 3.18Å; L471-M486 PolarHBondContact O-N 3.29Å; M486-T489 HydrophobicContact CG-CG2 4.16Å; M486-K494 HydrophobicContact CE-CB 4.18Å; M486-K494 HydrophobicContact SD-CB 4.11Å; M486-I495 HydrophobicContact CB-CD1 3.87Å; M486-I495 HydrophobicContact CG-CD1 3.71Å; M486-R498 HydrophobicContact CB-CG 4.4Å; M486-R498 HydrophobicContact CE-CB 3.81Å; M486-R498 HydrophobicContact CE-CG 4.14Å
487	P	87.4	Confident	88.2	Confident	81 Å²	81	55.5 Å²	55.5	53%	0.526	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	165.4	174.2	32.8	-37	0	0	0	111.4	T484 T489	T484-P487 HydrophobicContact CG2-CB 4.12Å; P487-T489 PolarHBondContact O-N 3.1Å
488	D	88	Confident	88.4	Confident	19 Å²	19	52.5 Å²	52.5	10%	0.102	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	119.6	-174.9	-30.3	-17.4	0	0	0	112.2	R462 Y469	R462-D488 IonicContact CZ-OD2 2.71Å; R462-D488 IonicContact NH2-OD2 3.63Å; R462-D488 PolarHBondContact NH2-OD2 3.05Å; Y469-D488 WeakPolarHBondContact O-CA 3.39Å
489	T	85.9	Confident	88.5	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.8	-179.5	-168.1	0	0	0	0	111.4	Y469 M486 P487 I491 K494 I495	Y469-T489 WeakPolarHBondContact CD2-O 3.47Å; Y469-T489 PolarHBondContact N-O 3.25Å; Y469-T489 PolarHBondContact O-N 2.87Å; M486-T489 HydrophobicContact CG-CG2 4.16Å; P487-T489 PolarHBondContact O-N 3.1Å; T489-I491 VanDerWaalsContact C-N 3.25Å; T489-I491 PolarHBondContact OG1-N 3.04Å; T489-K494 HydrophobicContact CG2-CB 4.14Å; T489-K494 HydrophobicContact CG2-CD 4.25Å; T489-I495 HydrophobicContact CG2-CD1 4.42Å; T489-I495 HydrophobicContact CG2-CG1 4.35Å
490	P	82.4	Confident	88.3	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.039	25%	0.252	C	S	.	.	S	Bend	trans	-75.2	-14.1	171.1	31.2	-36.7	0	0	0	113.1	S467 I492	S467-P490 VanDerWaalsContact O-CA 3.25Å; S467-P490 WeakPolarHBondContact O-CA 3.46Å; S467-P490 WeakPolarHBondContact O-CB 3.18Å; P490-I492 PolarHBondContact O-N 3.38Å
491	I	83.4	Confident	88	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.072	26%	0.262	C	S	.	.			trans	-88.4	93.5	-175.4	-54.3	-163.2	0	0	0	110.4	D459 T489 Y493 K494	D459-I491 HydrophobicContact CB-CD1 3.67Å; D459-I491 VanDerWaalsContact OD2-CD1 3.3Å; D459-I491 WeakPolarHBondContact OD2-CD1 3.47Å; T489-I491 VanDerWaalsContact C-N 3.25Å; T489-I491 PolarHBondContact OG1-N 3.04Å; I491-Y493 PolarHBondContact O-N 3.11Å; I491-Y493 VanDerWaalsContact O-N 3.11Å; I491-K494 HydrophobicContact CB-CD 3.95Å; I491-K494 HydrophobicContact CB-CG 4Å; I491-K494 HydrophobicContact CG2-CD 4.38Å; I491-K494 HydrophobicContact CG2-CG 3.93Å; I491-K494 WeakPolarHBondContact O-CB 3.39Å; I491-K494 PolarHBondContact O-N 3.03Å
492	I	85	Confident	87.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-50	-35.5	174.2	-69.3	161.5	0	0	0	112	L447 N451 P455 Y469 P490 K494 I495 L496	L447-I492 HydrophobicContact CB-CD1 4.27Å; L447-I492 HydrophobicContact CB-CG1 4.35Å; L447-I492 HydrophobicContact CB-CG2 3.86Å; L447-I492 HydrophobicContact CD1-CG2 3.92Å; L447-I492 WeakPolarHBondContact O-CD1 3.35Å; N451-I492 HydrophobicContact CB-CD1 3.73Å; P455-I492 HydrophobicContact CB-CB 4.01Å; P455-I492 HydrophobicContact CB-CG2 3.82Å; P455-I492 HydrophobicContact CG-CG2 4.09Å; Y469-I492 HydrophobicContact CD1-CG1 4.45Å; Y469-I492 HydrophobicContact CD2-CG1 3.78Å; Y469-I492 HydrophobicContact CE1-CD1 4.46Å; Y469-I492 HydrophobicContact CE1-CG1 4.32Å; Y469-I492 HydrophobicContact CE2-CD1 3.87Å; Y469-I492 HydrophobicContact CE2-CG1 3.62Å; Y469-I492 HydrophobicContact CG-CG1 4.22Å; P490-I492 PolarHBondContact O-N 3.38Å; I492-K494 VanDerWaalsContact C-N 3.27Å; I492-K494 PolarHBondContact O-N 3.37Å; I492-I495 WeakPolarHBondContact O-CB 3.42Å; I492-I495 PolarHBondContact O-N 3.17Å; I492-L496 HydrophobicContact CG2-CD1 3.95Å; I492-L496 HydrophobicContact CG2-CG 4.14Å; I492-L496 PolarHBondContact O-N 2.85Å
493	Y	84.8	Confident	86.5	Confident	133 Å²	133	50.4 Å²	50.4	52%	0.522	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-30.8	176.2	-177.2	-111.1	0	0	0	113.8	I491 K497	I491-Y493 PolarHBondContact O-N 3.11Å; I491-Y493 VanDerWaalsContact O-N 3.11Å; Y493-K497 VanDerWaalsContact O-CB 3.25Å; Y493-K497 WeakPolarHBondContact O-CB 3.47Å; Y493-K497 PolarHBondContact O-N 3.03Å
494	K	87.2	Confident	85.4	Confident	72 Å²	72	48.2 Å²	48.2	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-41.9	173.2	-68.1	174.8	-173	154.7	0	110.6	D459 M486 T489 I491 I492 R498	D459-K494 IonicContact OD2-NZ 3.56Å; D459-K494 PolarHBondContact OD2-NZ 2.97Å; M486-K494 HydrophobicContact CE-CB 4.18Å; M486-K494 HydrophobicContact SD-CB 4.11Å; T489-K494 HydrophobicContact CG2-CB 4.14Å; T489-K494 HydrophobicContact CG2-CD 4.25Å; I491-K494 HydrophobicContact CB-CD 3.95Å; I491-K494 HydrophobicContact CB-CG 4Å; I491-K494 HydrophobicContact CG2-CD 4.38Å; I491-K494 HydrophobicContact CG2-CG 3.93Å; I491-K494 WeakPolarHBondContact O-CB 3.39Å; I491-K494 PolarHBondContact O-N 3.03Å; I492-K494 VanDerWaalsContact C-N 3.27Å; I492-K494 PolarHBondContact O-N 3.37Å; K494-R498 WeakPolarHBondContact O-CB 3.18Å; K494-R498 PolarHBondContact O-N 3.12Å
495	I	90.2	Very high	83.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-52.6	175.5	-58.8	-72.5	0	0	0	110.5	I420 L447 L471 M486 T489 I492 K497 R498 V499	I420-I495 HydrophobicContact CD1-CG2 3.73Å; L447-I495 HydrophobicContact CD1-CG2 4.15Å; L471-I495 HydrophobicContact CB-CD1 3.98Å; M486-I495 HydrophobicContact CB-CD1 3.87Å; M486-I495 HydrophobicContact CG-CD1 3.71Å; T489-I495 HydrophobicContact CG2-CD1 4.42Å; T489-I495 HydrophobicContact CG2-CG1 4.35Å; I492-I495 WeakPolarHBondContact O-CB 3.42Å; I492-I495 PolarHBondContact O-N 3.17Å; I495-K497 VanDerWaalsContact C-N 3.34Å; I495-K497 PolarHBondContact O-N 2.71Å; I495-R498 WeakPolarHBondContact O-CB 3.48Å; I495-R498 PolarHBondContact O-N 3.1Å; I495-V499 PolarHBondContact O-N 3.4Å
496	L	90.3	Very high	81.6	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-42.2	-179.6	-64.8	175.7	0	0	0	112.1	R439 L443 C444 L447 I492 R498 V499 A500	R439-L496 HydrophobicContact CG-CD2 4.16Å; L443-L496 HydrophobicContact CD2-CD2 3.9Å; L443-L496 HydrophobicContact CG-CD2 4.07Å; C444-L496 HydrophobicContact CB-CD1 4.42Å; C444-L496 HydrophobicContact CB-CD2 4.27Å; L447-L496 HydrophobicContact CD1-CD2 4.46Å; I492-L496 HydrophobicContact CG2-CD1 3.95Å; I492-L496 HydrophobicContact CG2-CG 4.14Å; I492-L496 PolarHBondContact O-N 2.85Å; L496-R498 VanDerWaalsContact C-N 3.33Å; L496-R498 PolarHBondContact O-N 3.29Å; L496-V499 PolarHBondContact O-N 3.46Å; L496-A500 WeakPolarHBondContact O-CB 3.48Å; L496-A500 PolarHBondContact O-N 3.06Å
497	K	89.7	Confident	79.6	Confident	128 Å²	128	63.6 Å²	63.6	56%	0.557	31%	0.313	S	S	*	.	H	α-helix	trans	-65.1	-34.7	174.6	-174.2	176.3	179.5	-178.4	0	112.3	Y493 I495 A500 T501	Y493-K497 VanDerWaalsContact O-CB 3.25Å; Y493-K497 WeakPolarHBondContact O-CB 3.47Å; Y493-K497 PolarHBondContact O-N 3.03Å; I495-K497 VanDerWaalsContact C-N 3.34Å; I495-K497 PolarHBondContact O-N 2.71Å; K497-A500 PolarHBondContact O-N 2.92Å; K497-T501 PolarHBondContact O-N 3.43Å; K497-T501 PolarHBondContact O-OG1 3.41Å
498	R	89.2	Confident	77.9	Confident	78 Å²	78	63.2 Å²	63.2	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-70.3	-42.4	177.5	-171.2	60.3	174.7	123.6	-1.7	112.2	L471 L485 M486 K494 I495 L496 A500 T501 M502	L471-R498 HydrophobicContact CD2-CB 4.15Å; L471-R498 HydrophobicContact CD2-CG 3.97Å; L485-R498 HydrophobicContact CB-CG 4.34Å; L485-R498 WeakPolarHBondContact O-CD 3.24Å; L485-R498 WeakPolarHBondContact O-CG 3.43Å; L485-R498 PolarHBondContact O-NE 3.01Å; M486-R498 HydrophobicContact CB-CG 4.4Å; M486-R498 HydrophobicContact CE-CB 3.81Å; M486-R498 HydrophobicContact CE-CG 4.14Å; K494-R498 WeakPolarHBondContact O-CB 3.18Å; K494-R498 PolarHBondContact O-N 3.12Å; I495-R498 WeakPolarHBondContact O-CB 3.48Å; I495-R498 PolarHBondContact O-N 3.1Å; L496-R498 VanDerWaalsContact C-N 3.33Å; L496-R498 PolarHBondContact O-N 3.29Å; R498-A500 VanDerWaalsContact C-N 3.29Å; R498-A500 PolarHBondContact O-N 2.76Å; R498-T501 PolarHBondContact NH1-O 2.89Å; R498-T501 CarbonylContact O-C 3.57Å; R498-T501 PolarHBondContact O-N 2.85Å; R498-T501 VanDerWaalsContact O-N 3.08Å; R498-T501 PolarHBondContact O-OG1 2.68Å; R498-M502 PolarHBondContact O-N 3.39Å
499	V	88.7	Confident	75.9	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-41.9	172.5	174.4	0	0	0	0	110.8	C430 M435 R439 L443 L471 I495 L496 T501 M502	C430-V499 WeakPolarHBondContact CB-O 3.45Å; M435-V499 HydrophobicContact CE-CG1 3.65Å; R439-V499 HydrophobicContact CB-CG1 4.46Å; L443-V499 HydrophobicContact CD2-CG2 3.92Å; L471-V499 HydrophobicContact CD2-CG2 3.74Å; I495-V499 PolarHBondContact O-N 3.4Å; L496-V499 PolarHBondContact O-N 3.46Å; V499-T501 PolarHBondContact O-N 3.05Å; V499-T501 VanDerWaalsContact O-N 3.11Å; V499-M502 HydrophobicContact CG2-CE 4.43Å; V499-M502 PolarHBondContact O-N 2.96Å
500	A	86.2	Confident	73.8	Confident	42 Å²	42	67.6 Å²	67.6	35%	0.347	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-3.1	175.9	0	0	0	0	0	115.2	L496 K497 R498	L496-A500 WeakPolarHBondContact O-CB 3.48Å; L496-A500 PolarHBondContact O-N 3.06Å; K497-A500 PolarHBondContact O-N 2.92Å; R498-A500 VanDerWaalsContact C-N 3.29Å; R498-A500 PolarHBondContact O-N 2.76Å
501	T	84.3	Confident	72	Confident	76 Å²	76	73.9 Å²	73.9	47%	0.466	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	19.5	-178.6	52.2	0	0	0	0	113	K497 R498 V499	K497-T501 PolarHBondContact O-N 3.43Å; K497-T501 PolarHBondContact O-OG1 3.41Å; R498-T501 PolarHBondContact NH1-O 2.89Å; R498-T501 CarbonylContact O-C 3.57Å; R498-T501 PolarHBondContact O-N 2.85Å; R498-T501 VanDerWaalsContact O-N 3.08Å; R498-T501 PolarHBondContact O-OG1 2.68Å; V499-T501 PolarHBondContact O-N 3.05Å; V499-T501 VanDerWaalsContact O-N 3.11Å
502	M	78.7	Confident	70.1	Confident	4 Å²	4	80.5 Å²	80.5	2%	0.02	40%	0.399	C	S	.	.			trans	-91.3	105.3	-177.8	-168.6	-174.5	-48.2	0	0	112.2	L422 N429 C430 L471 L485 R498 V499	L422-M502 HydrophobicContact CD1-CE 3.92Å; L422-M502 HydrophobicContact CD1-SD 3.9Å; L422-M502 HydrophobicContact CD2-CE 4.41Å; L422-M502 HydrophobicContact CD2-SD 3.49Å; L422-M502 WeakPolarHBondContact CD2-SD 3.33Å; L422-M502 HydrophobicContact CG-SD 4.36Å; N429-M502 PolarHBondContact OD1-O 3.49Å; C430-M502 PolarHBondContact N-O 3.08Å; C430-M502 PolarHBondContact SG-O 3.13Å; C430-M502 VanDerWaalsContact SG-O 3.4Å; L471-M502 HydrophobicContact CD1-CE 4.44Å; L471-M502 HydrophobicContact CD2-CE 3.83Å; L471-M502 HydrophobicContact CG-CE 4.37Å; L485-M502 HydrophobicContact CD1-CE 3.51Å; L485-M502 HydrophobicContact CD1-CG 4.26Å; L485-M502 HydrophobicContact CD1-SD 3.56Å; L485-M502 VanDerWaalsContact CD1-SD 3.56Å; R498-M502 PolarHBondContact O-N 3.39Å; V499-M502 HydrophobicContact CG2-CE 4.43Å; V499-M502 PolarHBondContact O-N 2.96Å
503	Q	70.7	Confident	68.5	Low	156 Å²	156	82.7 Å²	82.7	73%	0.729	41%	0.41	S	S	*	.			trans	-88.7	152.8	168.7	-68.8	-179.4	-12.9	0	0	111.5	N429	N429-Q503 WeakPolarHBondContact OD1-CA 3.25Å
504	H	67	Low	66.8	Low	28 Å²	28	81.1 Å²	81.1	13%	0.13	41%	0.411	C	S	.	.			trans	-110.9	152.1	-177	-80.4	-114.7	0	0	0	112.6	E423 H424 C425 F428 N429 S506	E423-H504 PolarHBondContact O-CE1 3.46Å; H424-H504 VanDerWaalsContact C-ND1 3.27Å; C425-H504 PolarHBondContact N-CE1 2.77Å; C425-H504 PolarHBondContact N-ND1 2.87Å; C425-H504 PolarHBondContact O-CE1 3.26Å; C425-H504 VanDerWaalsContact O-CE1 3.23Å; C425-H504 PolarHBondContact O-ND1 3.07Å; F428-H504 PolarHBondContact O-NE2 2.9Å; N429-H504 VanDerWaalsContact CA-CD2 3.47Å; N429-H504 WeakPolarHBondContact CA-CD2 3.37Å; H504-S506 PolarHBondContact O-N 2.85Å
505	E	56.9	Low	64.8	Low	136 Å²	136	82.2 Å²	82.2	64%	0.636	43%	0.425	S	S	*	.			trans	-64.6	133.8	167.5	-173	176.1	175.4	0	0	109.5	R507 H508	E505-R507 PolarHBondContact O-N 3.25Å; E505-H508 PolarHBondContact O-CE1 3.45Å; E505-H508 PolarHBondContact O-NE2 2.98Å
506	S	47.1	Very low	62.9	Low	121 Å²	121	87.5 Å²	87.5	85%	0.846	46%	0.462	S	S	*	.	S	Bend	trans	-66.5	8.7	-170.7	-35.8	0	0	0	0	115.8	H504	H504-S506 PolarHBondContact O-N 2.85Å
507	R	47.5	Very low	61.7	Low	203 Å²	203	90.1 Å²	90.1	77%	0.766	47%	0.474	S	S	*	.			trans	-117.4	103.9	-171.3	-69.1	-179.8	177.8	-123.5	-0.7	110.1	E505	E505-R507 PolarHBondContact O-N 3.25Å
508	H	53.3	Low	61	Low	73 Å²	73	84.5 Å²	84.5	34%	0.338	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-103.1	145.8	160.4	-51.3	-44	0	0	0	108.6	H424 C425 R426 E505	H424-H508 PolarHBondContact O-CE1 3.18Å; H424-H508 VanDerWaalsContact O-CE1 3.26Å; H424-H508 PolarHBondContact O-ND1 3.04Å; C425-H508 VanDerWaalsContact CA-CE1 3.49Å; C425-H508 WeakPolarHBondContact CA-CE1 3.45Å; C425-H508 WeakPolarHBondContact CA-ND1 3.3Å; R426-H508 WeakPolarHBondContact CA-NE2 3.48Å; R426-H508 WeakPolarHBondContact CB-CD2 2.98Å; R426-H508 WeakPolarHBondContact CB-NE2 3.01Å; R426-H508 PolarHBondContact N-CD2 3.03Å; R426-H508 PolarHBondContact N-CE1 3.4Å; R426-H508 VanDerWaalsContact N-CE1 3.28Å; R426-H508 PolarHBondContact N-NE2 3.04Å; E505-H508 PolarHBondContact O-CE1 3.45Å; E505-H508 PolarHBondContact O-NE2 2.98Å
509	T	45.3	Very low	61.1	Low	48 Å²	48	80.8 Å²	80.8	29%	0.294	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-65.9	135.9	175.8	39.3	0	0	0	0	108.8	W476 I513	W476-T509 HydrophobicContact CZ2-CG2 3.69Å; W476-T509 WeakPolarHBondContact CZ2-OG1 3.22Å; W476-T509 PolarHBondContact NE1-OG1 3.49Å; T509-I513 WeakPolarHBondContact OG1-CD1 3.32Å
510	S	41.8	Very low	61.2	Low	74 Å²	74	81.7 Å²	81.7	52%	0.517	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-50.5	155.8	-176.4	-163.7	0	0	0	0	112.2	Q512 I513	S510-Q512 PolarHBondContact O-N 2.85Å; S510-I513 WeakPolarHBondContact O-CG1 3.47Å; S510-I513 PolarHBondContact O-N 3.45Å
511	D	45.6	Very low	61.5	Low	139 Å²	139	79.8 Å²	79.8	74%	0.743	43%	0.429	S	S	*	.	S	Bend	trans	-65.7	21.1	180	-41.5	-76.9	0	0	0	115
512	Q	42.2	Very low	61.8	Low	152 Å²	152	78 Å²	78	71%	0.71	42%	0.415	S	S	*	.			trans	-118.7	31.3	179.3	-63.6	-174.6	-16.8	0	0	111.5	S510 N514	S510-Q512 PolarHBondContact O-N 2.85Å; Q512-N514 PolarHBondContact O-N 2.85Å
513	I	52.4	Low	62.5	Low	46 Å²	46	81 Å²	81	24%	0.236	43%	0.429	C	S	.	.			trans	-70.1	115.6	168.8	-47.6	177	0	0	0	107.2	W476 T509 S510 E517	W476-I513 HydrophobicContact CH2-CG2 4.02Å; W476-I513 HydrophobicContact CZ2-CD1 3.85Å; W476-I513 HydrophobicContact CZ2-CG1 4.29Å; W476-I513 HydrophobicContact CZ2-CG2 4.28Å; T509-I513 WeakPolarHBondContact OG1-CD1 3.32Å; S510-I513 WeakPolarHBondContact O-CG1 3.47Å; S510-I513 PolarHBondContact O-N 3.45Å; I513-E517 HydrophobicContact CG2-CB 4.09Å; I513-E517 WeakPolarHBondContact CG2-O 3.49Å
514	N	49.2	Very low	63.7	Low	100 Å²	100	73.7 Å²	73.7	54%	0.535	40%	0.395	S	S	.	.			trans	-62.6	144.3	169.9	-71.2	-66.9	0	0	0	109	Q512 S516 E517	Q512-N514 PolarHBondContact O-N 2.85Å; N514-S516 PolarHBondContact O-N 2.88Å; N514-E517 HydrophobicContact CB-CB 4.48Å; N514-E517 WeakPolarHBondContact O-CA 3.23Å; N514-E517 PolarHBondContact O-N 2.77Å
515	P	45.3	Very low	65	Low	95 Å²	95	72.5 Å²	72.5	62%	0.617	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.7	178.4	24.1	-33.5	0	0	0	113.5
516	S	49	Very low	66.8	Low	111 Å²	111	67.8 Å²	67.8	78%	0.776	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.5	170.5	50.2	0	0	0	0	114.7	N514 G518	N514-S516 PolarHBondContact O-N 2.88Å; S516-G518 VanDerWaalsContact C-N 3.33Å
517	E	64.7	Low	69.1	Low	77 Å²	77	62 Å²	62	36%	0.36	33%	0.327	S	S	.	.	S	Bend	trans	-100.3	41.2	171.3	-157.7	-165.2	148.7	0	0	110	W476 R477 I513 N514	W476-E517 HydrophobicContact CH2-CG 3.99Å; W476-E517 VanDerWaalsContact CH2-O 3.25Å; W476-E517 WeakPolarHBondContact CH2-O 3.5Å; W476-E517 WeakPolarHBondContact CH2-OE1 3.42Å; W476-E517 HydrophobicContact CZ3-CG 4.23Å; W476-E517 WeakPolarHBondContact CZ3-O 3.41Å; R477-E517 IonicContact CZ-OE1 3.18Å; R477-E517 IonicContact NE-OE1 3.75Å; R477-E517 IonicContact NH2-OE1 2.69Å; R477-E517 PolarHBondContact NH2-OE1 3.45Å; I513-E517 HydrophobicContact CG2-CB 4.09Å; I513-E517 WeakPolarHBondContact CG2-O 3.49Å; N514-E517 HydrophobicContact CB-CB 4.48Å; N514-E517 WeakPolarHBondContact O-CA 3.23Å; N514-E517 PolarHBondContact O-N 2.77Å
518	G	76.7	Confident	71.4	Confident	11 Å²	11	52.4 Å²	52.4	11%	0.113	29%	0.291	C	S	.	.	S	Bend	trans	-79.5	177.8	-179.8	0	0	0	0	0	114.5	S516 P520 P557	S516-G518 VanDerWaalsContact C-N 3.33Å; G518-P520 WeakPolarHBondContact O-CD 3.48Å; G518-P557 CarbonylContact C-O 3.57Å; G518-P557 WeakPolarHBondContact CA-O 3.49Å
519	T	90.2	Very high	73.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	120.8	166.6	-47.1	0	0	0	0	109	F474 W476 P479 G521 L524 P557 I558 D559	F474-T519 HydrophobicContact CE2-CG2 4.22Å; W476-T519 HydrophobicContact CB-CG2 4.44Å; W476-T519 WeakPolarHBondContact CB-OG1 3.5Å; P479-T519 HydrophobicContact CB-CG2 4.01Å; P479-T519 HydrophobicContact CG-CG2 3.94Å; T519-G521 PolarHBondContact O-N 2.92Å; T519-L524 HydrophobicContact CG2-CB 4.37Å; T519-L524 HydrophobicContact CG2-CD2 4.22Å; T519-P557 PolarHBondContact N-O 3.25Å; T519-I558 WeakPolarHBondContact O-CA 3.46Å; T519-D559 PolarHBondContact O-N 3.26Å
520	P	91.1	Very high	75.8	Confident	24 Å²	24	51.3 Å²	51.3	16%	0.156	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	107.1	178.8	22.9	-30.1	0	0	0	110.7	W476 P479 G518 H522 E523 L524	W476-P520 WeakPolarHBondContact O-CD 3.46Å; P479-P520 HydrophobicContact CG-CG 3.83Å; G518-P520 WeakPolarHBondContact O-CD 3.48Å; P520-H522 VanDerWaalsContact C-N 3.34Å; P520-H522 PolarHBondContact O-N 3.46Å; P520-E523 HydrophobicContact CB-CB 4.29Å; P520-E523 HydrophobicContact CB-CG 4.42Å; P520-E523 HydrophobicContact CG-CB 4.08Å; P520-E523 HydrophobicContact CG-CG 4.32Å; P520-E523 PolarHBondContact O-N 2.93Å; P520-E523 VanDerWaalsContact O-N 3.09Å; P520-L524 PolarHBondContact O-N 2.81Å
521	G	91.9	Very high	78.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-37.8	-170.3	0	0	0	0	0	113.6	T519 E523 L524 L525 D559	T519-G521 PolarHBondContact O-N 2.92Å; G521-E523 PolarHBondContact O-N 2.99Å; G521-L524 PolarHBondContact O-N 3.17Å; G521-L525 WeakPolarHBondContact O-CG 3.48Å; G521-L525 PolarHBondContact O-N 2.92Å; G521-D559 VanDerWaalsContact CA-O 3.26Å; G521-D559 WeakPolarHBondContact CA-O 3.4Å; G521-D559 PolarHBondContact N-O 2.98Å
522	H	91.3	Very high	80.7	Confident	39 Å²	39	42.1 Å²	42.1	18%	0.181	23%	0.226	C	C	.	.	H	α-helix	trans	-57.2	-46.5	172.8	168.8	94	0	0	0	112	P520 L524 L525 Q526 K562 L563 N581 S582	P520-H522 VanDerWaalsContact C-N 3.34Å; P520-H522 PolarHBondContact O-N 3.46Å; H522-L524 PolarHBondContact O-N 3.02Å; H522-L525 PolarHBondContact O-N 2.93Å; H522-Q526 WeakPolarHBondContact O-CB 3.38Å; H522-Q526 PolarHBondContact O-N 2.89Å; H522-K562 HydrophobicContact CB-CB 4.27Å; H522-K562 HydrophobicContact CB-CD 4.36Å; H522-L563 HydrophobicContact CB-CD2 4.26Å; H522-N581 PolarHBondContact CE1-O 3.48Å; H522-S582 PolarHBondContact CE1-O 2.91Å; H522-S582 PolarHBondContact ND1-O 3.01Å
523	E	93.3	Very high	83.1	Confident	67 Å²	67	37 Å²	37	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-68.2	-34.2	177.6	-76.6	-173.8	-135.5	0	0	112.5	P479 M480 P520 G521 Q526 A527	P479-E523 HydrophobicContact CG-CB 3.73Å; M480-E523 HydrophobicContact CG-CB 3.75Å; M480-E523 HydrophobicContact CG-CG 3.8Å; P520-E523 HydrophobicContact CB-CB 4.29Å; P520-E523 HydrophobicContact CB-CG 4.42Å; P520-E523 HydrophobicContact CG-CB 4.08Å; P520-E523 HydrophobicContact CG-CG 4.32Å; P520-E523 PolarHBondContact O-N 2.93Å; P520-E523 VanDerWaalsContact O-N 3.09Å; G521-E523 PolarHBondContact O-N 2.99Å; E523-Q526 PolarHBondContact O-N 3.04Å; E523-A527 PolarHBondContact O-N 3.44Å
524	L	95.2	Very high	84.8	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-43.3	175.9	-177.3	65.8	0	0	0	111.9	L421 F474 P479 T519 P520 G521 H522 A527 A528 L552 I558 L610	L421-L524 HydrophobicContact CD1-CD1 4.19Å; F474-L524 HydrophobicContact CD1-CD1 4.36Å; F474-L524 HydrophobicContact CD2-CD1 4.12Å; F474-L524 HydrophobicContact CE1-CD1 4.19Å; F474-L524 HydrophobicContact CE2-CD1 3.95Å; F474-L524 HydrophobicContact CG-CD1 4.34Å; F474-L524 HydrophobicContact CZ-CD1 3.98Å; P479-L524 HydrophobicContact CB-CB 4.06Å; P479-L524 HydrophobicContact CB-CD1 3.88Å; P479-L524 HydrophobicContact CG-CB 4.33Å; T519-L524 HydrophobicContact CG2-CB 4.37Å; T519-L524 HydrophobicContact CG2-CD2 4.22Å; P520-L524 PolarHBondContact O-N 2.81Å; G521-L524 PolarHBondContact O-N 3.17Å; H522-L524 PolarHBondContact O-N 3.02Å; L524-A527 WeakPolarHBondContact O-CB 3.25Å; L524-A527 PolarHBondContact O-N 2.84Å; L524-A528 PolarHBondContact O-N 3.35Å; L524-A528 VanDerWaalsContact O-N 3.15Å; L524-L552 HydrophobicContact CD1-CD1 4.47Å; L524-L552 HydrophobicContact CD2-CD1 4.23Å; L524-L552 HydrophobicContact CD2-CD2 3.98Å; L524-I558 HydrophobicContact CD2-CD1 3.92Å; L524-L610 HydrophobicContact CD2-CD2 4.47Å
525	L	95.5	Very high	86.7	Confident	3 Å²	3	31 Å²	31	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-37.7	173.7	-64.2	-169	0	0	0	111.5	G521 H522 A527 A528 V529 L563 P585 L586 L589 L610 V614	G521-L525 WeakPolarHBondContact O-CG 3.48Å; G521-L525 PolarHBondContact O-N 2.92Å; H522-L525 PolarHBondContact O-N 2.93Å; L525-A527 PolarHBondContact O-N 2.98Å; L525-A528 PolarHBondContact O-N 3.26Å; L525-V529 WeakPolarHBondContact O-CG2 3.24Å; L525-V529 PolarHBondContact O-N 2.69Å; L525-L563 HydrophobicContact CD1-CD1 3.72Å; L525-L563 HydrophobicContact CD1-CD2 4.09Å; L525-L563 HydrophobicContact CG-CD1 4.27Å; L525-P585 HydrophobicContact CB-CB 3.86Å; L525-P585 HydrophobicContact CB-CG 4.38Å; L525-L586 HydrophobicContact CD1-CB 4.06Å; L525-L586 HydrophobicContact CD1-CD1 3.92Å; L525-L589 HydrophobicContact CB-CD1 3.91Å; L525-L589 HydrophobicContact CD1-CD1 4.35Å; L525-L589 HydrophobicContact CD2-CD1 3.74Å; L525-L589 HydrophobicContact CG-CD1 4.2Å; L525-L610 HydrophobicContact CD1-CD1 4.08Å; L525-L610 HydrophobicContact CD2-CD1 4.15Å; L525-L610 HydrophobicContact CD2-CD2 4.42Å; L525-L610 HydrophobicContact CG-CD1 4.26Å; L525-V614 HydrophobicContact CD1-CG2 4.21Å; L525-V614 HydrophobicContact CD2-CG2 4.13Å
526	Q	94.7	Very high	88.8	Confident	36 Å²	36	28.6 Å²	28.6	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-28.7	173.4	-166.2	66.7	51	0	0	112.3	M480 H522 E523 K530 P585	M480-Q526 HydrophobicContact CE-CB 3.79Å; M480-Q526 HydrophobicContact CE-CG 3.81Å; M480-Q526 HydrophobicContact SD-CB 4.22Å; M480-Q526 HydrophobicContact SD-CG 3.96Å; H522-Q526 WeakPolarHBondContact O-CB 3.38Å; H522-Q526 PolarHBondContact O-N 2.89Å; E523-Q526 PolarHBondContact O-N 3.04Å; Q526-K530 WeakPolarHBondContact O-CG 3.45Å; Q526-K530 PolarHBondContact O-N 2.78Å; Q526-P585 HydrophobicContact CB-CB 4.08Å; Q526-P585 HydrophobicContact CB-CG 4.35Å
527	A	95.1	Very high	90.5	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-69.9	-48.1	173	0	0	0	0	0	110.7	P479 M480 T482 E523 L524 L525 V529 K530 E531	P479-A527 WeakPolarHBondContact O-CB 3.13Å; M480-A527 VanDerWaalsContact CE-CA 3.45Å; M480-A527 HydrophobicContact CE-CB 3.82Å; T482-A527 HydrophobicContact CG2-CB 4.08Å; E523-A527 PolarHBondContact O-N 3.44Å; L524-A527 WeakPolarHBondContact O-CB 3.25Å; L524-A527 PolarHBondContact O-N 2.84Å; L525-A527 PolarHBondContact O-N 2.98Å; A527-V529 VanDerWaalsContact C-N 3.28Å; A527-V529 PolarHBondContact O-N 2.69Å; A527-K530 PolarHBondContact O-N 3.43Å; A527-E531 PolarHBondContact O-N 3.05Å; A527-E531 VanDerWaalsContact O-N 3.16Å
528	A	96.6	Very high	91.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.8	-42.2	174.5	0	0	0	0	0	112.4	L421 L524 L525 K530 E531 F532 L550 L589	L421-A528 HydrophobicContact CD1-CB 4.09Å; L524-A528 PolarHBondContact O-N 3.35Å; L524-A528 VanDerWaalsContact O-N 3.15Å; L525-A528 PolarHBondContact O-N 3.26Å; A528-K530 PolarHBondContact O-N 3.02Å; A528-E531 PolarHBondContact O-N 3.41Å; A528-F532 VanDerWaalsContact O-CD2 3.23Å; A528-F532 WeakPolarHBondContact O-CD2 3.25Å; A528-F532 PolarHBondContact O-N 2.61Å; A528-L550 HydrophobicContact CB-CD1 4Å; A528-L550 HydrophobicContact CB-CD2 3.7Å; A528-L589 HydrophobicContact CB-CD1 4.37Å; A528-L589 HydrophobicContact CB-CD2 4.29Å
529	V	95.4	Very high	91.5	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-46.3	174.2	168.4	0	0	0	0	111.7	L525 A527 E531 F532 D533 P585 N588 L589	L525-V529 WeakPolarHBondContact O-CG2 3.24Å; L525-V529 PolarHBondContact O-N 2.69Å; A527-V529 VanDerWaalsContact C-N 3.28Å; A527-V529 PolarHBondContact O-N 2.69Å; V529-E531 VanDerWaalsContact C-N 3.35Å; V529-E531 PolarHBondContact O-N 2.8Å; V529-F532 PolarHBondContact O-N 3.16Å; V529-D533 PolarHBondContact O-N 3.5Å; V529-P585 HydrophobicContact CG2-CB 4.18Å; V529-N588 HydrophobicContact CG1-CB 4.48Å; V529-N588 HydrophobicContact CG2-CB 3.94Å; V529-L589 HydrophobicContact CG2-CD1 4.46Å; V529-L589 HydrophobicContact CG2-CD2 3.84Å; V529-L589 HydrophobicContact CG2-CG 3.78Å
530	K	94.6	Very high	90.9	Very high	95 Å²	95	31.7 Å²	31.7	41%	0.413	15%	0.15	S	C	.	.	H	α-helix	trans	-64	-35.1	179.9	-74.3	175.2	-177.7	175.1	0	113.8	M480 Q526 A527 A528 D533 A534	M480-K530 HydrophobicContact CE-CD 3.73Å; M480-K530 PolarHBondContact SD-NZ 3.01Å; Q526-K530 WeakPolarHBondContact O-CG 3.45Å; Q526-K530 PolarHBondContact O-N 2.78Å; A527-K530 PolarHBondContact O-N 3.43Å; A528-K530 PolarHBondContact O-N 3.02Å; K530-D533 WeakPolarHBondContact O-CB 3.21Å; K530-D533 PolarHBondContact O-N 3.09Å; K530-A534 PolarHBondContact O-N 3.41Å
531	E	95.1	Very high	90.1	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.093	17%	0.173	C	C	.	.	H	α-helix	trans	-73.7	-38.6	175.8	-53.2	-55.5	171.7	0	0	111.1	V419 H472 T482 A527 A528 V529 D533 A534 I535	V419-E531 HydrophobicContact CG1-CB 3.95Å; V419-E531 HydrophobicContact CG1-CG 4.38Å; V419-E531 HydrophobicContact CG2-CB 4.15Å; H472-E531 IonicContact CE1-OE1 3.93Å; H472-E531 IonicContact CE1-OE2 2.65Å; H472-E531 PolarHBondContact CE1-OE2 2.82Å; H472-E531 IonicContact ND1-OE1 3.04Å; H472-E531 IonicContact ND1-OE2 3.72Å; H472-E531 IonicContact NE2-OE2 2.75Å; T482-E531 VanDerWaalsContact CB-OE1 3.24Å; T482-E531 WeakPolarHBondContact CB-OE1 3.27Å; T482-E531 PolarHBondContact OG1-OE1 3.02Å; A527-E531 PolarHBondContact O-N 3.05Å; A527-E531 VanDerWaalsContact O-N 3.16Å; A528-E531 PolarHBondContact O-N 3.41Å; V529-E531 VanDerWaalsContact C-N 3.35Å; V529-E531 PolarHBondContact O-N 2.8Å; E531-D533 VanDerWaalsContact C-N 3.31Å; E531-D533 PolarHBondContact O-N 2.85Å; E531-A534 WeakPolarHBondContact O-CB 3.28Å; E531-A534 PolarHBondContact O-N 2.8Å; E531-I535 PolarHBondContact O-N 3.32Å
532	F	94.7	Very high	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-34.2	169.2	-77.6	-63.4	0	0	0	112.5	D417 V419 A528 V529 A534 I535 D536 R548 L550 L589 V594	D417-F532 HydrophobicContact CB-CD1 4.45Å; D417-F532 HydrophobicContact CB-CE1 4.19Å; V419-F532 HydrophobicContact CB-CE1 4.43Å; V419-F532 HydrophobicContact CB-CE2 4.28Å; V419-F532 HydrophobicContact CB-CZ 4.05Å; V419-F532 HydrophobicContact CG2-CD1 3.88Å; V419-F532 HydrophobicContact CG2-CD2 4.24Å; V419-F532 HydrophobicContact CG2-CE1 3.67Å; V419-F532 HydrophobicContact CG2-CE2 4.03Å; V419-F532 HydrophobicContact CG2-CG 4.16Å; V419-F532 HydrophobicContact CG2-CZ 3.74Å; A528-F532 VanDerWaalsContact O-CD2 3.23Å; A528-F532 WeakPolarHBondContact O-CD2 3.25Å; A528-F532 PolarHBondContact O-N 2.61Å; V529-F532 PolarHBondContact O-N 3.16Å; F532-A534 PolarHBondContact O-N 2.67Å; F532-I535 HydrophobicContact CD1-CD1 4.48Å; F532-I535 PolarHBondContact O-N 3.16Å; F532-D536 WeakPolarHBondContact O-CB 3.22Å; F532-D536 PolarHBondContact O-N 3.12Å; F532-R548 HydrophobicContact CE1-CB 3.94Å; F532-R548 HydrophobicContact CE1-CG 4.3Å; F532-R548 HydrophobicContact CZ-CB 4.27Å; F532-L550 HydrophobicContact CE2-CB 4.37Å; F532-L589 HydrophobicContact CD2-CD2 3.93Å; F532-L589 HydrophobicContact CE2-CD2 4.17Å; F532-V594 HydrophobicContact CD2-CG2 4.19Å; F532-V594 HydrophobicContact CE2-CB 4.48Å; F532-V594 HydrophobicContact CE2-CG1 3.7Å; F532-V594 HydrophobicContact CE2-CG2 3.87Å; F532-V594 HydrophobicContact CZ-CG1 3.85Å; F532-V594 HydrophobicContact CZ-CG2 4.13Å
533	D	92.1	Very high	88.3	Confident	44 Å²	44	34.4 Å²	34.4	24%	0.235	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-31	170.8	-56.1	-30.5	0	0	0	112	V529 K530 E531 R537 R592	V529-D533 PolarHBondContact O-N 3.5Å; K530-D533 WeakPolarHBondContact O-CB 3.21Å; K530-D533 PolarHBondContact O-N 3.09Å; E531-D533 VanDerWaalsContact C-N 3.31Å; E531-D533 PolarHBondContact O-N 2.85Å; D533-R537 VanDerWaalsContact C-CZ 3.5Å; D533-R537 VanDerWaalsContact CB-NH1 3.33Å; D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 VanDerWaalsContact O-CG 3.26Å; D533-R537 WeakPolarHBondContact O-CG 3.37Å; D533-R537 PolarHBondContact O-N 3.42Å; D533-R537 PolarHBondContact O-NE 2.72Å; D533-R537 PolarHBondContact O-NH1 2.76Å; D533-R592 IonicContact OD1-CZ 3.1Å; D533-R592 IonicContact OD1-NH1 3.64Å; D533-R592 PolarHBondContact OD1-NH1 3.44Å; D533-R592 IonicContact OD1-NH2 3.97Å; D533-R592 PolarHBondContact OD1-NH2 2.78Å
534	A	89.3	Confident	87.2	Confident	22 Å²	22	40.5 Å²	40.5	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-39.6	177.3	0	0	0	0	0	111.8	K530 E531 F532 A538	K530-A534 PolarHBondContact O-N 3.41Å; E531-A534 WeakPolarHBondContact O-CB 3.28Å; E531-A534 PolarHBondContact O-N 2.8Å; F532-A534 PolarHBondContact O-N 2.67Å; A534-A538 PolarHBondContact O-N 3.01Å
535	I	89.6	Confident	86.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.7	-42.1	176.1	-59.4	171	0	0	0	111	D417 V419 L468 E531 F532 R537 A538 R539	D417-I535 HydrophobicContact CB-CD1 4.48Å; D417-I535 HydrophobicContact CB-CG2 4.04Å; D417-I535 VanDerWaalsContact CG-CG2 3.41Å; D417-I535 WeakPolarHBondContact OD1-CG2 3.47Å; V419-I535 HydrophobicContact CG2-CD1 3.7Å; L468-I535 HydrophobicContact CB-CG2 4.16Å; L468-I535 HydrophobicContact CD1-CG2 3.88Å; E531-I535 PolarHBondContact O-N 3.32Å; F532-I535 HydrophobicContact CD1-CD1 4.48Å; F532-I535 PolarHBondContact O-N 3.16Å; I535-R537 VanDerWaalsContact C-N 3.31Å; I535-R537 PolarHBondContact O-N 3.17Å; I535-A538 WeakPolarHBondContact O-CA 3.21Å; I535-A538 VanDerWaalsContact O-CB 3.28Å; I535-A538 WeakPolarHBondContact O-CB 3Å; I535-A538 PolarHBondContact O-N 3.44Å; I535-R539 PolarHBondContact O-N 2.83Å
536	D	88.3	Confident	85.8	Confident	44 Å²	44	47.8 Å²	47.8	24%	0.235	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-38.5	174.9	-78	-16.6	0	0	0	111.5	F532 A538 R539 R540 R548 R592	F532-D536 WeakPolarHBondContact O-CB 3.22Å; F532-D536 PolarHBondContact O-N 3.12Å; D536-A538 VanDerWaalsContact C-N 3.34Å; D536-R539 PolarHBondContact O-N 3.31Å; D536-R540 PolarHBondContact O-N 3.42Å; D536-R548 IonicContact OD1-CZ 3.91Å; D536-R548 IonicContact OD1-NE 2.61Å; D536-R548 IonicContact OD1-NH2 2.83Å; D536-R548 PolarHBondContact OD1-NH2 2.7Å; D536-R548 IonicContact OD2-NH2 3.65Å; D536-R548 PolarHBondContact OD2-NH2 3.16Å; D536-R592 IonicContact OD2-CZ 3.77Å; D536-R592 VanDerWaalsContact OD2-CZ 3.28Å; D536-R592 IonicContact OD2-NE 2.73Å; D536-R592 PolarHBondContact OD2-NE 3.39Å; D536-R592 IonicContact OD2-NH2 2.82Å; D536-R592 PolarHBondContact OD2-NH2 3.34Å
537	R	85.6	Confident	85.5	Confident	161 Å²	161	50.9 Å²	50.9	61%	0.608	25%	0.253	S	S	*	.	H	α-helix	trans	-60.9	-41	169.3	-78.2	-177.3	-64.4	-92.4	1.5	112	D533 I535 R540	D533-R537 VanDerWaalsContact C-CZ 3.5Å; D533-R537 VanDerWaalsContact CB-NH1 3.33Å; D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 VanDerWaalsContact O-CG 3.26Å; D533-R537 WeakPolarHBondContact O-CG 3.37Å; D533-R537 PolarHBondContact O-N 3.42Å; D533-R537 PolarHBondContact O-NE 2.72Å; D533-R537 PolarHBondContact O-NH1 2.76Å; I535-R537 VanDerWaalsContact C-N 3.31Å; I535-R537 PolarHBondContact O-N 3.17Å; R537-R540 PolarHBondContact O-N 2.73Å
538	A	81.3	Confident	85.4	Confident	23 Å²	23	52.8 Å²	52.8	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-37	178	0	0	0	0	0	112.9	R462 L468 A534 I535 D536 R540	R462-A538 VanDerWaalsContact NH2-CB 3.26Å; L468-A538 HydrophobicContact CD1-CB 4.45Å; A534-A538 PolarHBondContact O-N 3.01Å; I535-A538 WeakPolarHBondContact O-CA 3.21Å; I535-A538 VanDerWaalsContact O-CB 3.28Å; I535-A538 WeakPolarHBondContact O-CB 3Å; I535-A538 PolarHBondContact O-N 3.44Å; D536-A538 VanDerWaalsContact C-N 3.34Å; A538-R540 VanDerWaalsContact C-N 3.26Å; A538-R540 PolarHBondContact O-N 2.83Å
539	R	80	Confident	85.2	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.019	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.2	176.1	-67.1	-169.9	178.9	-72.3	-3.6	114.1	D417 A464 T466 L468 I535 D536 G541 L542	D417-R539 VanDerWaalsContact CG-NE 3.34Å; D417-R539 IonicContact OD1-CZ 3.98Å; D417-R539 IonicContact OD1-NE 3.67Å; D417-R539 PolarHBondContact OD1-NE 2.94Å; D417-R539 IonicContact OD1-NH2 3.75Å; D417-R539 PolarHBondContact OD1-NH2 3.2Å; D417-R539 IonicContact OD2-CZ 2.64Å; D417-R539 IonicContact OD2-NE 3.12Å; D417-R539 PolarHBondContact OD2-NE 3.02Å; D417-R539 VanDerWaalsContact OD2-NE 3.1Å; A464-R539 WeakPolarHBondContact CB-O 3.43Å; A464-R539 PolarHBondContact O-NH1 2.75Å; T466-R539 VanDerWaalsContact O-CZ 3.28Å; T466-R539 PolarHBondContact O-NH1 3.36Å; T466-R539 PolarHBondContact O-NH2 3.04Å; L468-R539 HydrophobicContact CD1-CG 4.17Å; I535-R539 PolarHBondContact O-N 2.83Å; D536-R539 PolarHBondContact O-N 3.31Å; R539-G541 PolarHBondContact O-N 2.82Å; R539-L542 PolarHBondContact O-N 3.33Å
540	R	78.4	Confident	85.3	Confident	74 Å²	74	53.1 Å²	53.1	28%	0.279	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	26.7	179.6	-61.5	-176.5	179.1	141.4	4.3	114.5	P268 D269 A270 E276 D536 R537 A538 L542	P268-R540 PolarHBondContact O-NH2 3.12Å; D269-R540 VanDerWaalsContact C-NH2 3.3Å; D269-R540 PolarHBondContact O-NH1 2.75Å; D269-R540 PolarHBondContact O-NH2 2.88Å; D269-R540 IonicContact OD1-NE 2.63Å; A270-R540 PolarHBondContact O-NH1 3.05Å; A270-R540 PolarHBondContact O-NH2 3.18Å; E276-R540 IonicContact OE1-CZ 2.84Å; E276-R540 IonicContact OE1-NH1 3.52Å; E276-R540 PolarHBondContact OE1-NH1 3.26Å; D536-R540 PolarHBondContact O-N 3.42Å; R537-R540 PolarHBondContact O-N 2.73Å; A538-R540 VanDerWaalsContact C-N 3.26Å; A538-R540 PolarHBondContact O-N 2.83Å; R540-L542 HydrophobicContact CB-CG 4.39Å; R540-L542 PolarHBondContact O-N 2.74Å
541	G	74.1	Confident	85.4	Confident	63 Å²	63	48.7 Å²	48.7	65%	0.649	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	7	-175.4	0	0	0	0	0	116.3	R539	R539-G541 PolarHBondContact O-N 2.82Å
542	L	71.4	Confident	85.4	Confident	45 Å²	45	47.9 Å²	47.9	24%	0.236	24%	0.239	C	C	.	.			trans	-75.5	-30.5	-174.5	-63.2	174.4	0	0	0	113.1	A280 A464 Y465 R539 R540	A280-L542 HydrophobicContact CB-CD1 4.23Å; A280-L542 HydrophobicContact CB-CD2 4.37Å; A464-L542 HydrophobicContact CB-CB 3.74Å; A464-L542 HydrophobicContact CB-CD1 3.9Å; A464-L542 HydrophobicContact CB-CG 4.36Å; Y465-L542 HydrophobicContact CE2-CB 4.48Å; Y465-L542 PolarHBondContact OH-O 2.81Å; R539-L542 PolarHBondContact O-N 3.33Å; R540-L542 HydrophobicContact CB-CG 4.39Å; R540-L542 PolarHBondContact O-N 2.74Å
543	C	74.3	Confident	85.4	Confident	13 Å²	13	47.9 Å²	47.9	9%	0.088	24%	0.239	C	C	.	.			trans	-98.2	111.4	176.4	-161.4	0	0	0	0	111.4	A464 Y465 K545 V546	A464-C543 VanDerWaalsContact O-CB 3.25Å; A464-C543 WeakPolarHBondContact O-CB 3.43Å; Y465-C543 HydrophobicContact CD1-CB 3.86Å; Y465-C543 HydrophobicContact CE1-CB 3.76Å; C543-K545 PolarHBondContact SG-O 2.65Å; C543-V546 HydrophobicContact CB-CG1 4.21Å
544	K	70.8	Confident	85.5	Confident	196 Å²	196	45.9 Å²	45.9	85%	0.852	23%	0.228	S	C	*	.	S	Bend	trans	-81.2	-20.4	-175.6	-64.3	-177.5	180	178.6	0	114.3
545	K	78	Confident	85.4	Confident	133 Å²	133	47.6 Å²	47.6	58%	0.578	23%	0.233	S	C	*	.			trans	-124.6	123.9	177.4	-70	-175.6	177.5	-178.3	0	108.5	C543	C543-K545 PolarHBondContact SG-O 2.65Å
546	V	83.5	Confident	85.3	Confident	26 Å²	26	47.9 Å²	47.9	16%	0.158	24%	0.235	C	C	.	.			trans	-141.9	143.2	174.6	-62.8	0	0	0	0	108.2	P415 D417 C543 R548	P415-V546 HydrophobicContact CG-CG1 4.35Å; P415-V546 CarbonylContact O-C 3.47Å; P415-V546 VanDerWaalsContact O-CA 3.25Å; P415-V546 WeakPolarHBondContact O-CA 3.36Å; P415-V546 WeakPolarHBondContact O-CB 3.26Å; D417-V546 WeakPolarHBondContact OD2-CG2 3.09Å; C543-V546 HydrophobicContact CB-CG1 4.21Å; V546-R548 HydrophobicContact CG2-CG 3.95Å
547	Q	87.6	Confident	85.2	Confident	101 Å²	101	47.6 Å²	47.6	47%	0.472	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.4	170.2	-54.9	-175.4	22.1	0	0	108.1	P415 V416 D417	P415-Q547 PolarHBondContact O-N 3.41Å; V416-Q547 CarbonylContact C-O 3.5Å; V416-Q547 VanDerWaalsContact CA-O 3.29Å; V416-Q547 WeakPolarHBondContact CA-O 3.38Å; V416-Q547 HydrophobicContact CG2-CB 4.19Å; D417-Q547 PolarHBondContact N-O 3.06Å
548	R	91.8	Very high	85.4	Confident	41 Å²	41	40.2 Å²	40.2	16%	0.155	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131	-177.8	-58.9	-158.6	176.3	85.3	-4.8	112	D417 F532 D536 V546 R592 V594 A595	D417-R548 HydrophobicContact CB-CG 4.21Å; D417-R548 WeakPolarHBondContact O-CA 2.99Å; D417-R548 IonicContact OD2-NE 2.7Å; F532-R548 HydrophobicContact CE1-CB 3.94Å; F532-R548 HydrophobicContact CE1-CG 4.3Å; F532-R548 HydrophobicContact CZ-CB 4.27Å; D536-R548 IonicContact OD1-CZ 3.91Å; D536-R548 IonicContact OD1-NE 2.61Å; D536-R548 IonicContact OD1-NH2 2.83Å; D536-R548 PolarHBondContact OD1-NH2 2.7Å; D536-R548 IonicContact OD2-NH2 3.65Å; D536-R548 PolarHBondContact OD2-NH2 3.16Å; V546-R548 HydrophobicContact CG2-CG 3.95Å; R548-R592 PolarHBondContact NH1-O 3.01Å; R548-V594 HydrophobicContact CB-CB 4.35Å; R548-V594 HydrophobicContact CB-CG2 3.82Å; R548-V594 WeakPolarHBondContact O-CA 3.4Å; R548-A595 PolarHBondContact O-N 3.07Å
549	H	94.2	Very high	85.8	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129	-177.5	-153.1	106.9	0	0	0	112.2	D417 C418 V419 L450 A595 S597 S633 L636	D417-H549 PolarHBondContact O-N 3.46Å; C418-H549 WeakPolarHBondContact CA-O 3.26Å; V419-H549 PolarHBondContact N-O 2.93Å; L450-H549 HydrophobicContact CD1-CB 4.21Å; H549-A595 CarbonylContact C-O 3.52Å; H549-A595 WeakPolarHBondContact CA-O 3.13Å; H549-S597 PolarHBondContact CE1-OG 3.16Å; H549-S597 PolarHBondContact NE2-OG 3.13Å; H549-S633 PolarHBondContact CE1-OG 2.81Å; H549-L636 WeakPolarHBondContact CE1-CD1 3.3Å
550	L	96.7	Very high	86.2	Confident	4 Å²	4	42 Å²	42	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.1	174.2	-179.4	59.4	0	0	0	109.6	V419 L421 A528 F532 V594 A595 L596 S597	V419-L550 HydrophobicContact CB-CD1 4.12Å; V419-L550 HydrophobicContact CG1-CD1 4.04Å; V419-L550 WeakPolarHBondContact O-CA 3.14Å; L421-L550 HydrophobicContact CD1-CD1 4.05Å; L421-L550 HydrophobicContact CG-CD1 3.98Å; A528-L550 HydrophobicContact CB-CD1 4Å; A528-L550 HydrophobicContact CB-CD2 3.7Å; F532-L550 HydrophobicContact CE2-CB 4.37Å; L550-V594 HydrophobicContact CB-CG1 3.74Å; L550-A595 PolarHBondContact N-O 2.95Å; L550-L596 HydrophobicContact CB-CD1 4.19Å; L550-L596 HydrophobicContact CD2-CD1 4.01Å; L550-L596 HydrophobicContact CG-CD1 3.87Å; L550-L596 WeakPolarHBondContact O-CA 3.35Å; L550-S597 PolarHBondContact O-N 2.82Å
551	I	96	Very high	86.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.5	174.9	-57.9	-178.5	0	0	0	108	V419 I420 L421 F438 L443 I446 L553 F599	V419-I551 PolarHBondContact O-N 3.44Å; I420-I551 WeakPolarHBondContact CA-O 3.47Å; I420-I551 HydrophobicContact CG1-CB 4.26Å; I420-I551 HydrophobicContact CG1-CD1 4.36Å; I420-I551 HydrophobicContact CG2-CB 4.35Å; I420-I551 HydrophobicContact CG2-CG2 4.37Å; L421-I551 PolarHBondContact N-O 3.48Å; F438-I551 HydrophobicContact CZ-CG2 4.42Å; L443-I551 HydrophobicContact CD1-CD1 4.39Å; I446-I551 HydrophobicContact CG2-CD1 3.85Å; I551-L553 HydrophobicContact CG2-CD1 4.01Å; I551-F599 HydrophobicContact CG2-CD2 4.16Å; I551-F599 HydrophobicContact CG2-CE2 4Å
552	L	96.6	Very high	87	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.9	-176.1	177.4	60.9	0	0	0	111.7	L421 F474 L524 A554 I558 L596 S597 V598 F599 L607 L610	L421-L552 HydrophobicContact CB-CD1 3.98Å; F474-L552 HydrophobicContact CE1-CD1 3.84Å; F474-L552 HydrophobicContact CZ-CD1 4.03Å; L524-L552 HydrophobicContact CD1-CD1 4.47Å; L524-L552 HydrophobicContact CD2-CD1 4.23Å; L524-L552 HydrophobicContact CD2-CD2 3.98Å; L552-A554 HydrophobicContact CG-CB 4.5Å; L552-I558 HydrophobicContact CD2-CD1 4.16Å; L552-L596 HydrophobicContact CB-CD1 4.01Å; L552-S597 PolarHBondContact N-O 2.91Å; L552-V598 HydrophobicContact CB-CG1 4.4Å; L552-F599 PolarHBondContact O-N 3.18Å; L552-L607 HydrophobicContact CD2-CD1 3.66Å; L552-L607 HydrophobicContact CG-CD1 4.21Å; L552-L610 HydrophobicContact CD2-CD2 3.99Å
553	L	94.4	Very high	87.7	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.4	169.7	-68	81.6	0	0	0	109	I420 L421 L422 E423 F428 M435 F438 I551 F599 W627	I420-L553 HydrophobicContact CG2-CD1 4.21Å; L421-L553 PolarHBondContact O-N 2.77Å; L422-L553 HydrophobicContact CD1-CD2 4.19Å; L422-L553 HydrophobicContact CG-CB 4.44Å; E423-L553 PolarHBondContact N-O 3.08Å; F428-L553 HydrophobicContact CD1-CD2 4.35Å; F428-L553 HydrophobicContact CD2-CB 4.04Å; F428-L553 HydrophobicContact CE1-CB 4.47Å; F428-L553 HydrophobicContact CE1-CD2 4.47Å; F428-L553 VanDerWaalsContact CE2-C 3.48Å; F428-L553 HydrophobicContact CE2-CB 3.68Å; F428-L553 HydrophobicContact CZ-CB 3.92Å; M435-L553 HydrophobicContact CE-CD2 4.17Å; M435-L553 HydrophobicContact SD-CD2 4.07Å; F438-L553 HydrophobicContact CD1-CD2 4.01Å; F438-L553 HydrophobicContact CD2-CD2 4.4Å; F438-L553 HydrophobicContact CE1-CD1 4.14Å; F438-L553 HydrophobicContact CE1-CD2 3.8Å; F438-L553 HydrophobicContact CE1-CG 4.49Å; F438-L553 HydrophobicContact CE2-CD1 4.34Å; F438-L553 HydrophobicContact CE2-CD2 4.23Å; F438-L553 HydrophobicContact CE2-CG 4.41Å; F438-L553 HydrophobicContact CG-CD2 4.33Å; F438-L553 HydrophobicContact CZ-CD1 3.74Å; F438-L553 HydrophobicContact CZ-CD2 3.95Å; F438-L553 HydrophobicContact CZ-CG 4.19Å; I551-L553 HydrophobicContact CG2-CD1 4.01Å; L553-F599 HydrophobicContact CG-CB 4.26Å; L553-W627 HydrophobicContact CD2-CH2 4.17Å
554	A	93	Very high	88	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.017	21%	0.214	C	C	.	.			trans	-140.2	148.8	-179.3	0	0	0	0	0	111.8	F474 L552 F599 S600 L607	F474-A554 HydrophobicContact CZ-CB 4.48Å; L552-A554 HydrophobicContact CG-CB 4.5Å; A554-F599 PolarHBondContact N-O 3.44Å; A554-S600 WeakPolarHBondContact O-CA 3.34Å; A554-S600 WeakPolarHBondContact O-CB 3.32Å; A554-S600 PolarHBondContact O-OG 3.36Å; A554-L607 HydrophobicContact CB-CD1 4.46Å
555	M	88.4	Confident	87.8	Confident	57 Å²	57	40.3 Å²	40.3	28%	0.281	20%	0.201	S	C	.	.			trans	-113.6	-40.4	167.9	-77.2	-170	69.4	0	0	112.2	E423 C425 P427 F428 P601 V602	E423-M555 PolarHBondContact OE2-N 3.49Å; C425-M555 HydrophobicContact CB-SD 4.1Å; P427-M555 HydrophobicContact CB-SD 3.97Å; P427-M555 VanDerWaalsContact CD-SD 3.59Å; P427-M555 HydrophobicContact CG-CE 4.1Å; P427-M555 HydrophobicContact CG-SD 3.45Å; P427-M555 WeakPolarHBondContact CG-SD 3.43Å; F428-M555 HydrophobicContact CE2-CG 4.35Å; F428-M555 HydrophobicContact CZ-CG 3.96Å; M555-P601 HydrophobicContact CE-CG 4.17Å; M555-P601 HydrophobicContact CG-CG 3.62Å; M555-P601 HydrophobicContact SD-CG 3.91Å; M555-V602 HydrophobicContact CE-CG1 4.42Å
556	S	86.6	Confident	86.7	Confident	6 Å²	6	34 Å²	34	4%	0.042	17%	0.174	C	C	.	.	S	Bend	trans	-63.4	140.3	178.1	-82.3	0	0	0	0	110.8	E423 W476	E423-S556 PolarHBondContact OE1-OG 3.36Å; E423-S556 PolarHBondContact OE2-N 3.04Å; W476-S556 VanDerWaalsContact CG-OG 3.29Å
557	P	86	Confident	85.3	Confident	38 Å²	38	35.2 Å²	35.2	25%	0.247	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-59.5	148.8	173.1	27.3	-34.3	0	0	0	109.9	G518 T519	G518-P557 CarbonylContact C-O 3.57Å; G518-P557 WeakPolarHBondContact CA-O 3.49Å; T519-P557 PolarHBondContact N-O 3.25Å
558	I	90.7	Very high	83.2	Confident	7 Å²	7	35 Å²	35	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.3	178.6	-55.9	-177.5	0	0	0	109.4	T519 L524 L552 I560 S606 L607 L610	T519-I558 WeakPolarHBondContact O-CA 3.46Å; L524-I558 HydrophobicContact CD2-CD1 3.92Å; L552-I558 HydrophobicContact CD2-CD1 4.16Å; I558-I560 HydrophobicContact CG2-CG2 4.06Å; I558-I560 PolarHBondContact O-N 2.87Å; I558-S606 PolarHBondContact N-OG 3.28Å; I558-S606 VanDerWaalsContact N-OG 3.09Å; I558-S606 WeakPolarHBondContact O-CB 3.29Å; I558-S606 PolarHBondContact O-OG 3.26Å; I558-S606 VanDerWaalsContact O-OG 3.1Å; I558-L607 HydrophobicContact CD1-CD1 3.67Å; I558-L610 HydrophobicContact CD1-CD2 3.61Å; I558-L610 HydrophobicContact CG2-CD2 4.43Å
559	D	89.3	Confident	80.8	Confident	42 Å²	42	34.7 Å²	34.7	23%	0.225	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.1	165.9	168.3	35.9	0	0	0	109.1	T519 G521 S561	T519-D559 PolarHBondContact O-N 3.26Å; G521-D559 VanDerWaalsContact CA-O 3.26Å; G521-D559 WeakPolarHBondContact CA-O 3.4Å; G521-D559 PolarHBondContact N-O 2.98Å; D559-S561 VanDerWaalsContact OD1-CB 3.24Å; D559-S561 WeakPolarHBondContact OD1-CB 3.2Å; D559-S561 PolarHBondContact OD1-N 2.73Å; D559-S561 PolarHBondContact OD1-OG 3.46Å
560	I	89.3	Confident	78.5	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.118	22%	0.215	C	C	.	.			trans	-105.6	4.5	179.7	58.9	175.3	0	0	0	112.5	I558 K562 L563 L564 K609	I558-I560 HydrophobicContact CG2-CG2 4.06Å; I558-I560 PolarHBondContact O-N 2.87Å; I560-K562 PolarHBondContact O-N 3.41Å; I560-L563 CarbonylContact O-C 3.51Å; I560-L563 WeakPolarHBondContact O-CA 3.1Å; I560-L563 WeakPolarHBondContact O-CB 3.14Å; I560-L563 PolarHBondContact O-N 2.82Å; I560-L564 HydrophobicContact CD1-CD1 3.78Å; I560-L564 HydrophobicContact CD1-CG 4.3Å; I560-L564 HydrophobicContact CG1-CD1 3.84Å; I560-L564 HydrophobicContact CG1-CG 4.29Å; I560-L564 PolarHBondContact O-N 3.02Å; I560-K609 HydrophobicContact CD1-CB 3.78Å; I560-K609 HydrophobicContact CD1-CG 3.55Å
561	S	85.2	Confident	76	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-56.6	-51.4	-171.5	-47.5	0	0	0	0	111.7	D559 L563 L564 E565	D559-S561 VanDerWaalsContact OD1-CB 3.24Å; D559-S561 WeakPolarHBondContact OD1-CB 3.2Å; D559-S561 PolarHBondContact OD1-N 2.73Å; D559-S561 PolarHBondContact OD1-OG 3.46Å; S561-L563 PolarHBondContact O-N 2.9Å; S561-L563 VanDerWaalsContact O-N 3.12Å; S561-L564 PolarHBondContact O-N 2.86Å; S561-E565 WeakPolarHBondContact O-CG 3.47Å; S561-E565 PolarHBondContact O-N 2.89Å
562	K	83.1	Confident	73.2	Confident	98 Å²	98	55.1 Å²	55.1	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-15.7	175.6	-60.7	178.3	-177.2	175.8	0	114.7	H522 I560 S566	H522-K562 HydrophobicContact CB-CB 4.27Å; H522-K562 HydrophobicContact CB-CD 4.36Å; I560-K562 PolarHBondContact O-N 3.41Å; K562-S566 PolarHBondContact O-OG 2.84Å
563	L	85.3	Confident	70.4	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-97.5	-17.1	177.6	-61.1	179.6	0	0	0	112.4	H522 L525 I560 S561 S566 L586 L610 L613	H522-L563 HydrophobicContact CB-CD2 4.26Å; L525-L563 HydrophobicContact CD1-CD1 3.72Å; L525-L563 HydrophobicContact CD1-CD2 4.09Å; L525-L563 HydrophobicContact CG-CD1 4.27Å; I560-L563 CarbonylContact O-C 3.51Å; I560-L563 WeakPolarHBondContact O-CA 3.1Å; I560-L563 WeakPolarHBondContact O-CB 3.14Å; I560-L563 PolarHBondContact O-N 2.82Å; S561-L563 PolarHBondContact O-N 2.9Å; S561-L563 VanDerWaalsContact O-N 3.12Å; L563-S566 VanDerWaalsContact CA-OG 3.29Å; L563-S566 WeakPolarHBondContact CA-OG 3.16Å; L563-S566 PolarHBondContact O-OG 2.98Å; L563-L586 HydrophobicContact CD2-CB 4.23Å; L563-L610 HydrophobicContact CD1-CD1 3.64Å; L563-L613 HydrophobicContact CB-CD1 4.12Å
564	L	81.9	Confident	67.4	Low	72 Å²	72	64 Å²	64	38%	0.377	35%	0.352	S	S	.	.	H	α-helix	trans	-89.8	-40.6	174.1	-70.2	173.8	0	0	0	111.6	I560 S561 S566 D567 S568 L613	I560-L564 HydrophobicContact CD1-CD1 3.78Å; I560-L564 HydrophobicContact CD1-CG 4.3Å; I560-L564 HydrophobicContact CG1-CD1 3.84Å; I560-L564 HydrophobicContact CG1-CG 4.29Å; I560-L564 PolarHBondContact O-N 3.02Å; S561-L564 PolarHBondContact O-N 2.86Å; L564-S566 PolarHBondContact O-N 3.17Å; L564-D567 PolarHBondContact O-N 3.48Å; L564-S568 PolarHBondContact O-N 3.42Å; L564-S568 PolarHBondContact O-OG 3.13Å; L564-L613 HydrophobicContact CD2-CD1 4.2Å; L564-L613 HydrophobicContact CD2-CD2 4.11Å
565	E	65.6	Low	64.7	Low	123 Å²	123	72.3 Å²	72.3	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-49.7	-29.7	168.6	-71.6	165.1	-170.4	0	0	112.4	S561 S568	S561-E565 WeakPolarHBondContact O-CG 3.47Å; S561-E565 PolarHBondContact O-N 2.89Å; E565-S568 PolarHBondContact O-OG 3.14Å
566	S	55.1	Low	62.2	Low	1 Å²	1	75.7 Å²	75.7	1%	0.007	42%	0.415	C	S	.	.	H	α-helix	trans	-86.3	-29.8	-177.5	47.6	0	0	0	0	115.8	K562 L563 L564 S568 S569 Q583	K562-S566 PolarHBondContact O-OG 2.84Å; L563-S566 VanDerWaalsContact CA-OG 3.29Å; L563-S566 WeakPolarHBondContact CA-OG 3.16Å; L563-S566 PolarHBondContact O-OG 2.98Å; L564-S566 PolarHBondContact O-N 3.17Å; S566-S568 VanDerWaalsContact C-N 3.32Å; S566-S569 PolarHBondContact O-OG 2.84Å; S566-Q583 VanDerWaalsContact CB-CG 3.45Å; S566-Q583 PolarHBondContact O-NE2 3.27Å
567	D	54.1	Low	59.9	Low	51 Å²	51	78.3 Å²	78.3	27%	0.273	44%	0.443	S	S	.	.	H	α-helix	trans	-75.2	-24.7	175.7	-97	-2.9	0	0	0	111.7	L564 S569 F570 R590 L613	L564-D567 PolarHBondContact O-N 3.48Å; D567-S569 VanDerWaalsContact C-N 3.27Å; D567-S569 PolarHBondContact O-N 2.8Å; D567-F570 WeakPolarHBondContact O-CB 3.27Å; D567-F570 PolarHBondContact O-N 2.95Å; D567-R590 VanDerWaalsContact CG-NH2 3.35Å; D567-R590 IonicContact OD1-CZ 3.28Å; D567-R590 VanDerWaalsContact OD1-CZ 3.31Å; D567-R590 IonicContact OD1-NH1 2.69Å; D567-R590 PolarHBondContact OD1-NH1 3.31Å; D567-R590 IonicContact OD1-NH2 2.69Å; D567-R590 PolarHBondContact OD1-NH2 3.28Å; D567-R590 IonicContact OD2-CZ 3.61Å; D567-R590 IonicContact OD2-NH1 2.78Å; D567-R590 IonicContact OD2-NH2 3.2Å; D567-R590 PolarHBondContact OD2-NH2 3.13Å; D567-L613 WeakPolarHBondContact OD2-CD2 3.14Å
568	S	43.2	Very low	58	Low	96 Å²	96	80.9 Å²	80.9	67%	0.671	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.4	174.6	31.6	0	0	0	0	115	L564 E565 S566	L564-S568 PolarHBondContact O-N 3.42Å; L564-S568 PolarHBondContact O-OG 3.13Å; E565-S568 PolarHBondContact O-OG 3.14Å; S566-S568 VanDerWaalsContact C-N 3.32Å
569	S	41	Very low	55.7	Low	35 Å²	35	87.1 Å²	87.1	25%	0.245	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.5	178.7	80.1	0	0	0	0	114	S566 D567 I571 Q583	S566-S569 PolarHBondContact O-OG 2.84Å; D567-S569 VanDerWaalsContact C-N 3.27Å; D567-S569 PolarHBondContact O-N 2.8Å; S569-I571 PolarHBondContact O-N 3.02Å; S569-Q583 PolarHBondContact OG-NE2 2.9Å
570	F	46.7	Very low	53.5	Low	110 Å²	110	89.1 Å²	89.1	48%	0.482	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-3.4	-170.8	-121.8	-91.2	0	0	0	114.4	D567	D567-F570 WeakPolarHBondContact O-CB 3.27Å; D567-F570 PolarHBondContact O-N 2.95Å
571	I	44.7	Very low	51.8	Low	156 Å²	156	94.1 Å²	94.1	80%	0.8	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-26.1	-169.5	-59.7	179.9	0	0	0	113.3	S569	S569-I571 PolarHBondContact O-N 3.02Å
572	E	36	Very low	50.2	Low	174 Å²	174	92.9 Å²	92.9	81%	0.813	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-21.8	-170.8	-70.6	-168.4	133.1	0	0	117.5	G574	E572-G574 PolarHBondContact O-N 3.49Å
573	L	37.8	Very low	49	Very low	128 Å²	128	89.3 Å²	89.3	67%	0.67	51%	0.508	S	S	*	.			trans	-84.3	105.2	-166.7	-91.7	75.5	0	0	0	114.7
574	G	33.2	Very low	48.7	Very low	62 Å²	62	94.4 Å²	94.4	64%	0.639	53%	0.532	S	S	*	.			trans	-81.8	143.1	155.6	0	0	0	0	0	112.9	E572 D576	E572-G574 PolarHBondContact O-N 3.49Å; G574-D576 VanDerWaalsContact C-N 3.31Å; G574-D576 PolarHBondContact O-N 3.28Å
575	D	35.3	Very low	49.1	Very low	177 Å²	177	91 Å²	91	95%	0.947	51%	0.514	S	S	*	.	S	Bend	trans	50.5	8.3	153.4	-139.5	27.3	0	0	0	122.1	G577	D575-G577 PolarHBondContact O-N 3.17Å
576	D	36.8	Very low	50.4	Low	128 Å²	128	85.3 Å²	85.3	68%	0.684	49%	0.488	S	S	*	.			trans	-100.9	80.3	176.9	-130	-35.4	0	0	0	113.1	G574 S578	G574-D576 VanDerWaalsContact C-N 3.31Å; G574-D576 PolarHBondContact O-N 3.28Å; D576-S578 VanDerWaalsContact C-N 3.27Å; D576-S578 PolarHBondContact O-N 2.98Å
577	G	38.2	Very low	52	Low	61 Å²	61	91.4 Å²	91.4	63%	0.629	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	35	-163.1	0	0	0	0	0	118.6	D575	D575-G577 PolarHBondContact O-N 3.17Å
578	S	45.5	Very low	53.7	Low	91 Å²	91	91.1 Å²	91.1	64%	0.636	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-21.8	-169.8	60	0	0	0	0	116.9	D576	D576-S578 VanDerWaalsContact C-N 3.27Å; D576-S578 PolarHBondContact O-N 2.98Å
579	N	42.2	Very low	56.1	Low	138 Å²	138	86.5 Å²	86.5	74%	0.738	48%	0.477	S	S	*	.	S	Bend	trans	-113.9	9.3	-175.8	-84.6	-45	0	0	0	115.2	N581	N579-N581 VanDerWaalsContact C-N 3.31Å; N579-N581 PolarHBondContact O-N 2.65Å
580	L	44.4	Very low	58.4	Low	84 Å²	84	88.5 Å²	88.5	44%	0.44	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-67	-20.9	-168.1	-75.2	161.4	0	0	0	115.8	S582 Q583	L580-S582 VanDerWaalsContact C-N 3.26Å; L580-S582 PolarHBondContact O-N 3.3Å; L580-S582 VanDerWaalsContact O-N 3.16Å; L580-Q583 PolarHBondContact O-N 2.85Å; L580-Q583 VanDerWaalsContact O-N 3.15Å
581	N	51.8	Low	60.4	Low	129 Å²	129	90.5 Å²	90.5	69%	0.69	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-64.3	-22.5	-169	-65.2	1.7	0	0	0	114.5	H522 N579	H522-N581 PolarHBondContact CE1-O 3.48Å; N579-N581 VanDerWaalsContact C-N 3.31Å; N579-N581 PolarHBondContact O-N 2.65Å
582	S	52.5	Low	62.4	Low	36 Å²	36	85.1 Å²	85.1	25%	0.252	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-75.1	-28	177.5	54.8	0	0	0	0	113.2	H522 L580	H522-S582 PolarHBondContact CE1-O 2.91Å; H522-S582 PolarHBondContact ND1-O 3.01Å; L580-S582 VanDerWaalsContact C-N 3.26Å; L580-S582 PolarHBondContact O-N 3.3Å; L580-S582 VanDerWaalsContact O-N 3.16Å
583	Q	57.4	Low	65	Low	23 Å²	23	78.4 Å²	78.4	11%	0.107	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.2	-173.1	-28.9	-159	-21	0	0	113.4	S566 S569 L580 P585 L586 R587	S566-Q583 VanDerWaalsContact CB-CG 3.45Å; S566-Q583 PolarHBondContact O-NE2 3.27Å; S569-Q583 PolarHBondContact OG-NE2 2.9Å; L580-Q583 PolarHBondContact O-N 2.85Å; L580-Q583 VanDerWaalsContact O-N 3.15Å; Q583-P585 VanDerWaalsContact C-CD 3.49Å; Q583-P585 VanDerWaalsContact O-N 3.17Å; Q583-L586 PolarHBondContact O-N 3.13Å; Q583-L586 VanDerWaalsContact O-N 3.12Å; Q583-R587 PolarHBondContact O-N 2.85Å
584	E	79.5	Confident	67.6	Low	108 Å²	108	72.6 Å²	72.6	51%	0.505	41%	0.409	S	S	.	.	H	α-helix	trans	-44.9	-49.5	-170.3	-167.5	-177.5	174.5	0	0	113.8	N588	E584-N588 WeakPolarHBondContact O-CB 3.44Å; E584-N588 PolarHBondContact O-N 3.03Å
585	P	91.2	Very high	70.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-69.5	-39.4	-177.6	25	-33.3	0	0	0	114.1	L525 Q526 V529 Q583 N588 L589	L525-P585 HydrophobicContact CB-CB 3.86Å; L525-P585 HydrophobicContact CB-CG 4.38Å; Q526-P585 HydrophobicContact CB-CB 4.08Å; Q526-P585 HydrophobicContact CB-CG 4.35Å; V529-P585 HydrophobicContact CG2-CB 4.18Å; Q583-P585 VanDerWaalsContact C-CD 3.49Å; Q583-P585 VanDerWaalsContact O-N 3.17Å; P585-N588 PolarHBondContact O-N 3.42Å; P585-L589 WeakPolarHBondContact O-CG 3.09Å; P585-L589 PolarHBondContact O-N 2.97Å
586	L	92	Very high	73.3	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-44.1	178.1	179.5	59.7	0	0	0	110.6	L525 L563 Q583 N588 L589 R590 L613 V614	L525-L586 HydrophobicContact CD1-CB 4.06Å; L525-L586 HydrophobicContact CD1-CD1 3.92Å; L563-L586 HydrophobicContact CD2-CB 4.23Å; Q583-L586 PolarHBondContact O-N 3.13Å; Q583-L586 VanDerWaalsContact O-N 3.12Å; L586-N588 VanDerWaalsContact C-N 3.34Å; L586-N588 PolarHBondContact O-N 3.24Å; L586-L589 PolarHBondContact O-N 3.33Å; L586-R590 HydrophobicContact CD1-CG 4.49Å; L586-R590 WeakPolarHBondContact O-CG 3.01Å; L586-R590 PolarHBondContact O-N 3.2Å; L586-L613 HydrophobicContact CD1-CB 4.48Å; L586-L613 HydrophobicContact CD2-CB 4.48Å; L586-V614 HydrophobicContact CD1-CG2 3.86Å
587	R	88.4	Confident	76.1	Confident	130 Å²	130	55.2 Å²	55.2	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-42	174.7	-172.9	178.1	179	-171	1.7	111.4	Q583 R590 M591	Q583-R587 PolarHBondContact O-N 2.85Å; R587-R590 PolarHBondContact O-N 3.15Å; R587-M591 HydrophobicContact CG-CG 4.24Å; R587-M591 VanDerWaalsContact O-CB 3.26Å; R587-M591 WeakPolarHBondContact O-CB 3.44Å; R587-M591 WeakPolarHBondContact O-CG 3.49Å; R587-M591 PolarHBondContact O-N 3.26Å
588	N	90.7	Very high	78.7	Confident	44 Å²	44	52.3 Å²	52.3	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-46.5	178.4	-173.5	-56.9	0	0	0	111.7	V529 E584 P585 L586 M591 R592	V529-N588 HydrophobicContact CG1-CB 4.48Å; V529-N588 HydrophobicContact CG2-CB 3.94Å; E584-N588 WeakPolarHBondContact O-CB 3.44Å; E584-N588 PolarHBondContact O-N 3.03Å; P585-N588 PolarHBondContact O-N 3.42Å; L586-N588 VanDerWaalsContact C-N 3.34Å; L586-N588 PolarHBondContact O-N 3.24Å; N588-M591 PolarHBondContact O-N 3.23Å; N588-R592 WeakPolarHBondContact O-CB 3.37Å; N588-R592 PolarHBondContact O-N 3.08Å; N588-R592 WeakPolarHBondContact OD1-CD 3.43Å; N588-R592 PolarHBondContact OD1-NH1 3.46Å
589	L	92.8	Very high	81	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-44.9	177.4	-66.1	172.4	0	0	0	112.5	L525 A528 V529 F532 P585 L586 R592 G593 V594	L525-L589 HydrophobicContact CB-CD1 3.91Å; L525-L589 HydrophobicContact CD1-CD1 4.35Å; L525-L589 HydrophobicContact CD2-CD1 3.74Å; L525-L589 HydrophobicContact CG-CD1 4.2Å; A528-L589 HydrophobicContact CB-CD1 4.37Å; A528-L589 HydrophobicContact CB-CD2 4.29Å; V529-L589 HydrophobicContact CG2-CD1 4.46Å; V529-L589 HydrophobicContact CG2-CD2 3.84Å; V529-L589 HydrophobicContact CG2-CG 3.78Å; F532-L589 HydrophobicContact CD2-CD2 3.93Å; F532-L589 HydrophobicContact CE2-CD2 4.17Å; P585-L589 WeakPolarHBondContact O-CG 3.09Å; P585-L589 PolarHBondContact O-N 2.97Å; L586-L589 PolarHBondContact O-N 3.33Å; L589-R592 PolarHBondContact O-N 3.46Å; L589-G593 PolarHBondContact O-N 3.3Å; L589-V594 HydrophobicContact CB-CB 4.35Å; L589-V594 HydrophobicContact CB-CG2 4.41Å; L589-V594 HydrophobicContact CD2-CB 4.34Å; L589-V594 HydrophobicContact CD2-CG1 4.4Å; L589-V594 HydrophobicContact CD2-CG2 3.89Å; L589-V594 PolarHBondContact O-N 3.2Å; L589-V594 VanDerWaalsContact O-N 3.14Å
590	R	90.1	Very high	83.3	Confident	76 Å²	76	41.4 Å²	41.4	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-50.1	173.5	-73.6	-178.6	-179.6	164.3	0.8	111	D567 L586 R587 R592 G593 L613	D567-R590 VanDerWaalsContact CG-NH2 3.35Å; D567-R590 IonicContact OD1-CZ 3.28Å; D567-R590 VanDerWaalsContact OD1-CZ 3.31Å; D567-R590 IonicContact OD1-NH1 2.69Å; D567-R590 PolarHBondContact OD1-NH1 3.31Å; D567-R590 IonicContact OD1-NH2 2.69Å; D567-R590 PolarHBondContact OD1-NH2 3.28Å; D567-R590 IonicContact OD2-CZ 3.61Å; D567-R590 IonicContact OD2-NH1 2.78Å; D567-R590 IonicContact OD2-NH2 3.2Å; D567-R590 PolarHBondContact OD2-NH2 3.13Å; L586-R590 HydrophobicContact CD1-CG 4.49Å; L586-R590 WeakPolarHBondContact O-CG 3.01Å; L586-R590 PolarHBondContact O-N 3.2Å; R587-R590 PolarHBondContact O-N 3.15Å; R590-R592 VanDerWaalsContact C-N 3.29Å; R590-R592 PolarHBondContact O-N 2.96Å; R590-G593 PolarHBondContact O-N 2.88Å; R590-L613 VanDerWaalsContact CZ-O 3.25Å; R590-L613 PolarHBondContact NE-O 3.37Å; R590-L613 PolarHBondContact NH2-O 2.82Å
591	M	87.3	Confident	85.3	Confident	152 Å²	152	38 Å²	38	75%	0.749	19%	0.189	S	C	*	.	H	α-helix	trans	-62.6	-30.3	177.9	-73.2	-64.1	-56.9	0	0	113.7	R587 N588 G593	R587-M591 HydrophobicContact CG-CG 4.24Å; R587-M591 VanDerWaalsContact O-CB 3.26Å; R587-M591 WeakPolarHBondContact O-CB 3.44Å; R587-M591 WeakPolarHBondContact O-CG 3.49Å; R587-M591 PolarHBondContact O-N 3.26Å; N588-M591 PolarHBondContact O-N 3.23Å; M591-G593 VanDerWaalsContact C-N 3.26Å; M591-G593 PolarHBondContact O-N 2.92Å
592	R	88.4	Confident	86.8	Confident	43 Å²	43	34.4 Å²	34.4	16%	0.162	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.9	174.5	-87.3	-175.2	160.7	133.9	-9.9	114	D533 D536 R548 N588 L589 R590 V594	D533-R592 IonicContact OD1-CZ 3.1Å; D533-R592 IonicContact OD1-NH1 3.64Å; D533-R592 PolarHBondContact OD1-NH1 3.44Å; D533-R592 IonicContact OD1-NH2 3.97Å; D533-R592 PolarHBondContact OD1-NH2 2.78Å; D536-R592 IonicContact OD2-CZ 3.77Å; D536-R592 VanDerWaalsContact OD2-CZ 3.28Å; D536-R592 IonicContact OD2-NE 2.73Å; D536-R592 PolarHBondContact OD2-NE 3.39Å; D536-R592 IonicContact OD2-NH2 2.82Å; D536-R592 PolarHBondContact OD2-NH2 3.34Å; R548-R592 PolarHBondContact NH1-O 3.01Å; N588-R592 WeakPolarHBondContact O-CB 3.37Å; N588-R592 PolarHBondContact O-N 3.08Å; N588-R592 WeakPolarHBondContact OD1-CD 3.43Å; N588-R592 PolarHBondContact OD1-NH1 3.46Å; L589-R592 PolarHBondContact O-N 3.46Å; R590-R592 VanDerWaalsContact C-N 3.29Å; R590-R592 PolarHBondContact O-N 2.96Å; R592-V594 VanDerWaalsContact C-N 3.31Å; R592-V594 HydrophobicContact CB-CG2 3.8Å
593	G	89.2	Confident	88.3	Confident	33 Å²	33	38.6 Å²	38.6	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	22	-178.8	0	0	0	0	0	114.4	L589 R590 M591 A595 K635	L589-G593 PolarHBondContact O-N 3.3Å; R590-G593 PolarHBondContact O-N 2.88Å; M591-G593 VanDerWaalsContact C-N 3.26Å; M591-G593 PolarHBondContact O-N 2.92Å; G593-A595 PolarHBondContact O-N 3.25Å; G593-K635 PolarHBondContact O-NZ 2.8Å
594	V	93.3	Very high	89.8	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.036	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.7	122.6	-175.9	-177.1	0	0	0	0	110.5	F532 R548 L550 L589 R592	F532-V594 HydrophobicContact CD2-CG2 4.19Å; F532-V594 HydrophobicContact CE2-CB 4.48Å; F532-V594 HydrophobicContact CE2-CG1 3.7Å; F532-V594 HydrophobicContact CE2-CG2 3.87Å; F532-V594 HydrophobicContact CZ-CG1 3.85Å; F532-V594 HydrophobicContact CZ-CG2 4.13Å; R548-V594 HydrophobicContact CB-CB 4.35Å; R548-V594 HydrophobicContact CB-CG2 3.82Å; R548-V594 WeakPolarHBondContact O-CA 3.4Å; L550-V594 HydrophobicContact CB-CG1 3.74Å; L589-V594 HydrophobicContact CB-CB 4.35Å; L589-V594 HydrophobicContact CB-CG2 4.41Å; L589-V594 HydrophobicContact CD2-CB 4.34Å; L589-V594 HydrophobicContact CD2-CG1 4.4Å; L589-V594 HydrophobicContact CD2-CG2 3.89Å; L589-V594 PolarHBondContact O-N 3.2Å; L589-V594 VanDerWaalsContact O-N 3.14Å; R592-V594 VanDerWaalsContact C-N 3.31Å; R592-V594 HydrophobicContact CB-CG2 3.8Å
595	A	92.7	Very high	90.2	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.1	168.5	0	0	0	0	0	110.6	R548 H549 L550 G593 N615 K635	R548-A595 PolarHBondContact O-N 3.07Å; H549-A595 CarbonylContact C-O 3.52Å; H549-A595 WeakPolarHBondContact CA-O 3.13Å; L550-A595 PolarHBondContact N-O 2.95Å; G593-A595 PolarHBondContact O-N 3.25Å; A595-N615 WeakPolarHBondContact CA-OD1 3.48Å; A595-K635 HydrophobicContact CB-CD 3.91Å; A595-K635 HydrophobicContact CB-CG 4.35Å
596	L	95.4	Very high	90.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.1	179.6	173.7	57.9	0	0	0	110.9	L550 L552 V598 L610 Y611 V614 N615 S633	L550-L596 HydrophobicContact CB-CD1 4.19Å; L550-L596 HydrophobicContact CD2-CD1 4.01Å; L550-L596 HydrophobicContact CG-CD1 3.87Å; L550-L596 WeakPolarHBondContact O-CA 3.35Å; L552-L596 HydrophobicContact CB-CD1 4.01Å; L596-V598 HydrophobicContact CD1-CG1 3.83Å; L596-V598 HydrophobicContact CD2-CG1 4.01Å; L596-V598 HydrophobicContact CG-CG1 3.76Å; L596-L610 HydrophobicContact CD2-CG 4.2Å; L596-Y611 WeakPolarHBondContact O-CD2 3.27Å; L596-Y611 WeakPolarHBondContact O-CE2 3.32Å; L596-V614 HydrophobicContact CB-CB 4.02Å; L596-V614 HydrophobicContact CB-CG1 3.78Å; L596-V614 HydrophobicContact CD2-CB 3.86Å; L596-V614 HydrophobicContact CD2-CG1 4.35Å; L596-V614 HydrophobicContact CD2-CG2 3.81Å; L596-N615 PolarHBondContact N-OD1 2.91Å; L596-N615 PolarHBondContact O-ND2 3.24Å; L596-S633 WeakPolarHBondContact O-CB 3.46Å
597	S	94.3	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.9	166.2	-56.9	0	0	0	0	110.4	H549 L550 L552 A631 S633	H549-S597 PolarHBondContact CE1-OG 3.16Å; H549-S597 PolarHBondContact NE2-OG 3.13Å; L550-S597 PolarHBondContact O-N 2.82Å; L552-S597 PolarHBondContact N-O 2.91Å; S597-A631 CarbonylContact C-O 3.56Å; S597-A631 WeakPolarHBondContact CA-O 2.93Å; S597-S633 PolarHBondContact OG-N 2.96Å
598	V	94.4	Very high	90.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.2	-166.2	-61.5	0	0	0	0	112.7	L552 L596 L607 Y611 V630 A631	L552-V598 HydrophobicContact CB-CG1 4.4Å; L596-V598 HydrophobicContact CD1-CG1 3.83Å; L596-V598 HydrophobicContact CD2-CG1 4.01Å; L596-V598 HydrophobicContact CG-CG1 3.76Å; V598-L607 HydrophobicContact CB-CD1 3.89Å; V598-L607 HydrophobicContact CB-CD2 3.96Å; V598-L607 HydrophobicContact CB-CG 3.68Å; V598-L607 HydrophobicContact CG1-CD1 3.81Å; V598-L607 HydrophobicContact CG1-CG 4.04Å; V598-L607 HydrophobicContact CG2-CD2 4.36Å; V598-L607 HydrophobicContact CG2-CG 4.01Å; V598-Y611 HydrophobicContact CG2-CD2 4.27Å; V598-V630 WeakPolarHBondContact O-CA 3.34Å; V598-A631 HydrophobicContact CG2-CB 3.91Å; V598-A631 PolarHBondContact N-O 3.09Å; V598-A631 PolarHBondContact O-N 2.84Å; V598-A631 VanDerWaalsContact O-N 3.09Å
599	F	93	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.2	-177.1	-63.4	-93.9	0	0	0	111	F438 Y442 I446 I551 L552 L553 A554 W627 T629 V630 L632	F438-F599 AromaticContact CD2-CD1 3.98Å; F438-F599 HydrophobicContact CD2-CD1 3.98Å; F438-F599 HydrophobicContact CD2-CE1 4.2Å; F438-F599 HydrophobicContact CD2-CG 4.27Å; F438-F599 HydrophobicContact CE2-CB 4.48Å; F438-F599 AromaticContact CE2-CD1 3.8Å; F438-F599 HydrophobicContact CE2-CD1 3.8Å; F438-F599 AromaticContact CE2-CD2 3.85Å; F438-F599 HydrophobicContact CE2-CD2 3.85Å; F438-F599 AromaticContact CE2-CE1 3.88Å; F438-F599 HydrophobicContact CE2-CE1 3.88Å; F438-F599 AromaticContact CE2-CE2 3.94Å; F438-F599 HydrophobicContact CE2-CE2 3.94Å; F438-F599 AromaticContact CE2-CG 3.78Å; F438-F599 HydrophobicContact CE2-CG 3.78Å; F438-F599 AromaticContact CE2-CZ 3.95Å; F438-F599 HydrophobicContact CE2-CZ 3.95Å; Y442-F599 AromaticContact CD1-CE1 4Å; Y442-F599 HydrophobicContact CD1-CE1 4Å; Y442-F599 HydrophobicContact CD2-CD1 4.17Å; Y442-F599 AromaticContact CD2-CE1 3.7Å; Y442-F599 HydrophobicContact CD2-CE1 3.7Å; Y442-F599 HydrophobicContact CE1-CE1 4.48Å; Y442-F599 HydrophobicContact CE2-CD1 4.48Å; Y442-F599 HydrophobicContact CE2-CE1 4.2Å; Y442-F599 HydrophobicContact CG-CD1 4.48Å; Y442-F599 AromaticContact CG-CE1 3.58Å; Y442-F599 HydrophobicContact CG-CE1 3.58Å; Y442-F599 HydrophobicContact CG-CZ 4.24Å; I446-F599 HydrophobicContact CD1-CE2 4.46Å; I446-F599 HydrophobicContact CD1-CZ 3.86Å; I551-F599 HydrophobicContact CG2-CD2 4.16Å; I551-F599 HydrophobicContact CG2-CE2 4Å; L552-F599 PolarHBondContact O-N 3.18Å; L553-F599 HydrophobicContact CG-CB 4.26Å; A554-F599 PolarHBondContact N-O 3.44Å; F599-W627 HydrophobicContact CB-CE3 3.85Å; F599-W627 HydrophobicContact CB-CZ3 3.68Å; F599-T629 CarbonylContact C-O 2.79Å; F599-T629 WeakPolarHBondContact CA-O 3.49Å; F599-V630 HydrophobicContact CD1-CG1 3.85Å; F599-V630 HydrophobicContact CD1-CG2 4.12Å; F599-V630 HydrophobicContact CE1-CG1 3.56Å; F599-V630 HydrophobicContact CZ-CG1 4.31Å; F599-L632 HydrophobicContact CE1-CD2 4.33Å; F599-L632 HydrophobicContact CE2-CD2 4.35Å; F599-L632 HydrophobicContact CZ-CD2 3.62Å
600	S	90.8	Very high	90.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.1	170	-161.2	0	0	0	0	112.5	A554 V602 Q628 T629	A554-S600 WeakPolarHBondContact O-CA 3.34Å; A554-S600 WeakPolarHBondContact O-CB 3.32Å; A554-S600 PolarHBondContact O-OG 3.36Å; S600-V602 WeakPolarHBondContact CB-O 3.47Å; S600-V602 PolarHBondContact O-N 2.92Å; S600-V602 WeakPolarHBondContact OG-CG2 3.16Å; S600-V602 PolarHBondContact OG-O 2.98Å; S600-Q628 PolarHBondContact O-N 2.81Å; S600-T629 PolarHBondContact N-O 2.74Å; S600-T629 PolarHBondContact O-N 3.41Å
601	P	85.1	Confident	90.6	Very high	12 Å²	12	31.2 Å²	31.2	8%	0.078	17%	0.173	C	C	.	.	S	Bend	trans	-74.3	-10.1	172.1	32.1	-35.8	0	0	0	112.7	F428 F434 M555 Q628	F428-P601 HydrophobicContact CE1-CG 4.26Å; F434-P601 HydrophobicContact CD1-CB 4.24Å; F434-P601 HydrophobicContact CE1-CB 4.19Å; M555-P601 HydrophobicContact CE-CG 4.17Å; M555-P601 HydrophobicContact CG-CG 3.62Å; M555-P601 HydrophobicContact SD-CG 3.91Å; P601-Q628 WeakPolarHBondContact O-CB 3.23Å; P601-Q628 VanDerWaalsContact O-CD 3.27Å; P601-Q628 VanDerWaalsContact O-CG 3.24Å; P601-Q628 WeakPolarHBondContact O-CG 3.42Å; P601-Q628 PolarHBondContact O-NE2 3.15Å
602	V	84.4	Confident	90.9	Very high	54 Å²	54	27.3 Å²	27.3	33%	0.327	15%	0.152	S	C	.	.	S	Bend	trans	-115.6	154.3	176.2	-64.7	0	0	0	0	111	M555 S600 S604 Q628 T629	M555-V602 HydrophobicContact CE-CG1 4.42Å; S600-V602 WeakPolarHBondContact CB-O 3.47Å; S600-V602 PolarHBondContact O-N 2.92Å; S600-V602 WeakPolarHBondContact OG-CG2 3.16Å; S600-V602 PolarHBondContact OG-O 2.98Å; V602-S604 PolarHBondContact O-N 2.9Å; V602-Q628 VanDerWaalsContact C-CB 3.44Å; V602-T629 PolarHBondContact O-OG1 3.05Å
603	Q	84.7	Confident	91.1	Very high	123 Å²	123	25.5 Å²	25.5	58%	0.575	15%	0.146	S	C	*	.			trans	-64.4	115.4	171.8	-70.2	-170.4	-10.5	0	0	110	Y623 Q628 T629	Q603-Y623 HydrophobicContact CG-CE1 4.47Å; Q603-Q628 HydrophobicContact CG-CB 3.92Å; Q603-Q628 VanDerWaalsContact N-OE1 3.09Å; Q603-T629 WeakPolarHBondContact CA-OG1 3.24Å
604	S	88	Confident	91.2	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.063	13%	0.131	C	C	.	.			trans	-125.8	90.7	-176.4	-171.2	0	0	0	0	112.2	V602 S606 L607 L608 T629	V602-S604 PolarHBondContact O-N 2.9Å; S604-S606 VanDerWaalsContact C-N 3.32Å; S604-S606 PolarHBondContact O-N 2.75Å; S604-L607 WeakPolarHBondContact O-CB 3.47Å; S604-L607 PolarHBondContact O-N 3.36Å; S604-L607 WeakPolarHBondContact OG-CB 3.44Å; S604-L608 PolarHBondContact O-N 2.96Å; S604-T629 PolarHBondContact N-OG1 3.05Å
605	P	88.5	Confident	91.1	Very high	101 Å²	101	25.6 Å²	25.6	66%	0.656	14%	0.139	S	C	*	.	H	α-helix	trans	-61.2	-34.5	179.6	-25.5	35.5	0	0	0	114	L608 K609	P605-L608 PolarHBondContact O-N 3.47Å; P605-K609 PolarHBondContact O-N 3.14Å
606	S	91	Very high	90.8	Very high	24 Å²	24	28.3 Å²	28.3	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-25.7	177.7	53.7	0	0	0	0	113.3	I558 S604 L610	I558-S606 PolarHBondContact N-OG 3.28Å; I558-S606 VanDerWaalsContact N-OG 3.09Å; I558-S606 WeakPolarHBondContact O-CB 3.29Å; I558-S606 PolarHBondContact O-OG 3.26Å; I558-S606 VanDerWaalsContact O-OG 3.1Å; S604-S606 VanDerWaalsContact C-N 3.32Å; S604-S606 PolarHBondContact O-N 2.75Å; S606-L610 WeakPolarHBondContact O-CB 3.49Å; S606-L610 PolarHBondContact O-N 3.5Å
607	L	92.1	Very high	90.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-38	169.6	-174	68.3	0	0	0	111.5	L552 A554 I558 V598 S604 L610 Y611 T629	L552-L607 HydrophobicContact CD2-CD1 3.66Å; L552-L607 HydrophobicContact CG-CD1 4.21Å; A554-L607 HydrophobicContact CB-CD1 4.46Å; I558-L607 HydrophobicContact CD1-CD1 3.67Å; V598-L607 HydrophobicContact CB-CD1 3.89Å; V598-L607 HydrophobicContact CB-CD2 3.96Å; V598-L607 HydrophobicContact CB-CG 3.68Å; V598-L607 HydrophobicContact CG1-CD1 3.81Å; V598-L607 HydrophobicContact CG1-CG 4.04Å; V598-L607 HydrophobicContact CG2-CD2 4.36Å; V598-L607 HydrophobicContact CG2-CG 4.01Å; S604-L607 WeakPolarHBondContact O-CB 3.47Å; S604-L607 PolarHBondContact O-N 3.36Å; S604-L607 WeakPolarHBondContact OG-CB 3.44Å; L607-L610 PolarHBondContact O-N 2.69Å; L607-Y611 PolarHBondContact O-N 3.31Å; L607-T629 HydrophobicContact CD2-CG2 4.08Å
608	L	92.1	Very high	89.8	Confident	31 Å²	31	35.5 Å²	35.5	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-69.1	-37.9	172.9	-68.4	175.9	0	0	0	112.5	S604 P605 L610 Y611 E612 A619 P621 T629 A631	S604-L608 PolarHBondContact O-N 2.96Å; P605-L608 PolarHBondContact O-N 3.47Å; L608-L610 VanDerWaalsContact C-N 3.34Å; L608-Y611 WeakPolarHBondContact O-CB 3.36Å; L608-Y611 PolarHBondContact O-N 2.77Å; L608-E612 PolarHBondContact O-N 2.76Å; L608-E612 VanDerWaalsContact O-N 3.07Å; L608-A619 HydrophobicContact CB-CB 4.4Å; L608-A619 HydrophobicContact CD2-CB 3.85Å; L608-P621 HydrophobicContact CD1-CB 4.11Å; L608-P621 HydrophobicContact CD1-CG 4.2Å; L608-P621 HydrophobicContact CD2-CB 3.98Å; L608-T629 HydrophobicContact CD1-CG2 4.3Å; L608-T629 HydrophobicContact CD2-CG2 3.7Å; L608-T629 HydrophobicContact CG-CG2 3.76Å; L608-A631 HydrophobicContact CD2-CB 3.95Å
609	K	91.4	Very high	89.1	Confident	64 Å²	64	36.8 Å²	36.8	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-68.6	-33.1	172.6	-168.4	53.3	165.3	-176.3	0	112	I560 P605 E612 L613	I560-K609 HydrophobicContact CD1-CB 3.78Å; I560-K609 HydrophobicContact CD1-CG 3.55Å; P605-K609 PolarHBondContact O-N 3.14Å; K609-E612 HydrophobicContact CD-CB 4.32Å; K609-E612 WeakPolarHBondContact CD-OE2 3.27Å; K609-E612 IonicContact NZ-OE1 2.73Å; K609-E612 PolarHBondContact NZ-OE1 2.95Å; K609-E612 IonicContact NZ-OE2 3.76Å; K609-E612 PolarHBondContact NZ-OE2 2.75Å; K609-E612 PolarHBondContact O-N 3.32Å; K609-L613 HydrophobicContact CG-CD1 4.41Å; K609-L613 WeakPolarHBondContact O-CB 3.41Å; K609-L613 VanDerWaalsContact O-CG 3.22Å; K609-L613 WeakPolarHBondContact O-CG 3.41Å; K609-L613 PolarHBondContact O-N 3.46Å
610	L	93.7	Very high	88.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-39.5	171.7	-171.8	68.5	0	0	0	112.3	L524 L525 L552 I558 L563 L596 S606 L607 L608 E612 L613 V614	L524-L610 HydrophobicContact CD2-CD2 4.47Å; L525-L610 HydrophobicContact CD1-CD1 4.08Å; L525-L610 HydrophobicContact CD2-CD1 4.15Å; L525-L610 HydrophobicContact CD2-CD2 4.42Å; L525-L610 HydrophobicContact CG-CD1 4.26Å; L552-L610 HydrophobicContact CD2-CD2 3.99Å; I558-L610 HydrophobicContact CD1-CD2 3.61Å; I558-L610 HydrophobicContact CG2-CD2 4.43Å; L563-L610 HydrophobicContact CD1-CD1 3.64Å; L596-L610 HydrophobicContact CD2-CG 4.2Å; S606-L610 WeakPolarHBondContact O-CB 3.49Å; S606-L610 PolarHBondContact O-N 3.5Å; L607-L610 PolarHBondContact O-N 2.69Å; L608-L610 VanDerWaalsContact C-N 3.34Å; L610-E612 VanDerWaalsContact C-N 3.34Å; L610-L613 PolarHBondContact O-N 2.75Å; L610-V614 HydrophobicContact CD1-CG2 4.49Å; L610-V614 WeakPolarHBondContact O-CG2 3.21Å; L610-V614 PolarHBondContact O-N 3.46Å
611	Y	93.8	Very high	87.6	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-54.7	-51	170.2	171.1	-74	0	0	0	110.7	L596 V598 L607 L608 L613 V614 N615 A619 A631 L632 S633	L596-Y611 WeakPolarHBondContact O-CD2 3.27Å; L596-Y611 WeakPolarHBondContact O-CE2 3.32Å; V598-Y611 HydrophobicContact CG2-CD2 4.27Å; L607-Y611 PolarHBondContact O-N 3.31Å; L608-Y611 WeakPolarHBondContact O-CB 3.36Å; L608-Y611 PolarHBondContact O-N 2.77Å; Y611-L613 PolarHBondContact O-N 2.82Å; Y611-V614 PolarHBondContact O-N 2.94Å; Y611-N615 WeakPolarHBondContact CD2-ND2 3.45Å; Y611-N615 HydrophobicContact CE1-CB 4.37Å; Y611-N615 WeakPolarHBondContact CE2-ND2 3.26Å; Y611-N615 WeakPolarHBondContact O-CB 3.3Å; Y611-N615 PolarHBondContact O-N 3.32Å; Y611-A619 HydrophobicContact CD1-CB 3.56Å; Y611-A619 HydrophobicContact CE1-CB 3.95Å; Y611-A619 HydrophobicContact CG-CB 4.18Å; Y611-A631 HydrophobicContact CD2-CB 3.71Å; Y611-A631 HydrophobicContact CE2-CB 3.81Å; Y611-A631 HydrophobicContact CG-CB 4.21Å; Y611-L632 PolarHBondContact OH-O 2.91Å; Y611-L632 VanDerWaalsContact OH-O 3.05Å; Y611-S633 WeakPolarHBondContact OH-CA 2.43Å
612	E	92.5	Very high	87	Confident	70 Å²	70	41.9 Å²	41.9	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-45	-179	-172.9	-164	145.2	0	0	111.5	L608 K609 L610 V614 G616 T617	L608-E612 PolarHBondContact O-N 2.76Å; L608-E612 VanDerWaalsContact O-N 3.07Å; K609-E612 HydrophobicContact CD-CB 4.32Å; K609-E612 WeakPolarHBondContact CD-OE2 3.27Å; K609-E612 IonicContact NZ-OE1 2.73Å; K609-E612 PolarHBondContact NZ-OE1 2.95Å; K609-E612 IonicContact NZ-OE2 3.76Å; K609-E612 PolarHBondContact NZ-OE2 2.75Å; K609-E612 PolarHBondContact O-N 3.32Å; L610-E612 VanDerWaalsContact C-N 3.34Å; E612-V614 PolarHBondContact O-N 3.37Å; E612-G616 WeakPolarHBondContact O-CA 3.49Å; E612-G616 PolarHBondContact O-N 2.84Å; E612-T617 WeakPolarHBondContact CA-O 3.49Å
613	L	91.8	Very high	86	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-41.4	177.6	-71.3	169.5	0	0	0	112.6	L563 L564 D567 L586 R590 K609 L610 Y611	L563-L613 HydrophobicContact CB-CD1 4.12Å; L564-L613 HydrophobicContact CD2-CD1 4.2Å; L564-L613 HydrophobicContact CD2-CD2 4.11Å; D567-L613 WeakPolarHBondContact OD2-CD2 3.14Å; L586-L613 HydrophobicContact CD1-CB 4.48Å; L586-L613 HydrophobicContact CD2-CB 4.48Å; R590-L613 VanDerWaalsContact CZ-O 3.25Å; R590-L613 PolarHBondContact NE-O 3.37Å; R590-L613 PolarHBondContact NH2-O 2.82Å; K609-L613 HydrophobicContact CG-CD1 4.41Å; K609-L613 WeakPolarHBondContact O-CB 3.41Å; K609-L613 VanDerWaalsContact O-CG 3.22Å; K609-L613 WeakPolarHBondContact O-CG 3.41Å; K609-L613 PolarHBondContact O-N 3.46Å; L610-L613 PolarHBondContact O-N 2.75Å; Y611-L613 PolarHBondContact O-N 2.82Å
614	V	92.3	Very high	85.1	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-79	-42.9	-177.7	177.2	0	0	0	0	112.2	L525 L586 L596 L610 Y611 E612	L525-V614 HydrophobicContact CD1-CG2 4.21Å; L525-V614 HydrophobicContact CD2-CG2 4.13Å; L586-V614 HydrophobicContact CD1-CG2 3.86Å; L596-V614 HydrophobicContact CB-CB 4.02Å; L596-V614 HydrophobicContact CB-CG1 3.78Å; L596-V614 HydrophobicContact CD2-CB 3.86Å; L596-V614 HydrophobicContact CD2-CG1 4.35Å; L596-V614 HydrophobicContact CD2-CG2 3.81Å; L610-V614 HydrophobicContact CD1-CG2 4.49Å; L610-V614 WeakPolarHBondContact O-CG2 3.21Å; L610-V614 PolarHBondContact O-N 3.46Å; Y611-V614 PolarHBondContact O-N 2.94Å; E612-V614 PolarHBondContact O-N 3.37Å
615	N	91.1	Very high	84.1	Confident	37 Å²	37	51.1 Å²	51.1	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-84	-24.6	-175.9	-69.5	-24.4	0	0	0	113.8	A595 L596 Y611 T617	A595-N615 WeakPolarHBondContact CA-OD1 3.48Å; L596-N615 PolarHBondContact N-OD1 2.91Å; L596-N615 PolarHBondContact O-ND2 3.24Å; Y611-N615 WeakPolarHBondContact CD2-ND2 3.45Å; Y611-N615 HydrophobicContact CE1-CB 4.37Å; Y611-N615 WeakPolarHBondContact CE2-ND2 3.26Å; Y611-N615 WeakPolarHBondContact O-CB 3.3Å; Y611-N615 PolarHBondContact O-N 3.32Å; N615-T617 PolarHBondContact O-N 2.88Å
616	G	87.2	Confident	83.3	Confident	60 Å²	60	51 Å²	51	62%	0.619	27%	0.272	S	S	*	.	S	Bend	trans	77.1	-2.9	-172.5	0	0	0	0	0	114.5	E612	E612-G616 WeakPolarHBondContact O-CA 3.49Å; E612-G616 PolarHBondContact O-N 2.84Å
617	T	85.2	Confident	82.9	Confident	48 Å²	48	49.9 Å²	49.9	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-108.5	141.3	176.3	53.9	0	0	0	0	111	E612 N615 A619 D634	E612-T617 WeakPolarHBondContact CA-O 3.49Å; N615-T617 PolarHBondContact O-N 2.88Å; T617-A619 PolarHBondContact O-N 2.85Å; T617-D634 WeakPolarHBondContact CB-OD2 2.47Å; T617-D634 PolarHBondContact OG1-OD2 3.27Å
618	P	83	Confident	82.4	Confident	102 Å²	102	54.2 Å²	54.2	66%	0.662	28%	0.284	S	S	*	.			trans	-55	136.5	170.9	-25.4	35.1	0	0	0	111.2	A620	P618-A620 PolarHBondContact O-N 3.03Å
619	A	80.3	Confident	82.2	Confident	27 Å²	27	52.8 Å²	52.8	22%	0.223	28%	0.277	C	S	.	.			trans	-62.6	133.4	174.7	0	0	0	0	0	110.5	L608 Y611 T617 P621 A631	L608-A619 HydrophobicContact CB-CB 4.4Å; L608-A619 HydrophobicContact CD2-CB 3.85Å; Y611-A619 HydrophobicContact CD1-CB 3.56Å; Y611-A619 HydrophobicContact CE1-CB 3.95Å; Y611-A619 HydrophobicContact CG-CB 4.18Å; T617-A619 PolarHBondContact O-N 2.85Å; A619-P621 WeakPolarHBondContact O-CD 3.5Å; A619-A631 HydrophobicContact CB-CB 4.27Å
620	A	77.8	Confident	82.1	Confident	58 Å²	58	49.8 Å²	49.8	48%	0.479	26%	0.263	S	S	.	.			trans	-100.4	72.8	165.1	0	0	0	0	0	109.4	P618	P618-A620 PolarHBondContact O-N 3.03Å
621	P	73.3	Confident	81.9	Confident	45 Å²	45	49.8 Å²	49.8	29%	0.292	26%	0.264	S	S	.	.			trans	-66.6	138.4	-175.5	29.5	-36.6	0	0	0	110.9	L608 A619 V630	L608-P621 HydrophobicContact CD1-CB 4.11Å; L608-P621 HydrophobicContact CD1-CG 4.2Å; L608-P621 HydrophobicContact CD2-CB 3.98Å; A619-P621 WeakPolarHBondContact O-CD 3.5Å; P621-V630 VanDerWaalsContact CA-O 3.3Å; P621-V630 WeakPolarHBondContact CA-O 3.19Å
622	F	72	Confident	81.7	Confident	17 Å²	17	50 Å²	50	8%	0.075	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-118.1	150.3	164.6	61.2	-84.1	0	0	0	109.9	Y442 V630 L632 V647 P649 A652	Y442-F622 HydrophobicContact CE1-CE2 4.08Å; Y442-F622 HydrophobicContact CE1-CZ 4.22Å; F622-V630 HydrophobicContact CD2-CB 4.41Å; F622-V630 HydrophobicContact CE1-CB 4.3Å; F622-V630 HydrophobicContact CE1-CG1 3.79Å; F622-V630 HydrophobicContact CE2-CB 4.09Å; F622-V630 HydrophobicContact CE2-CG1 3.87Å; F622-V630 HydrophobicContact CZ-CB 4.03Å; F622-V630 HydrophobicContact CZ-CG1 3.4Å; F622-V630 PolarHBondContact N-O 2.7Å; F622-V630 VanDerWaalsContact N-O 3.11Å; F622-L632 HydrophobicContact CE1-CD1 3.98Å; F622-L632 HydrophobicContact CE1-CG 3.98Å; F622-L632 HydrophobicContact CZ-CD1 3.93Å; F622-L632 HydrophobicContact CZ-CG 4.16Å; F622-V647 WeakPolarHBondContact CE2-O 3.4Å; F622-V647 WeakPolarHBondContact CZ-O 3.37Å; F622-P649 HydrophobicContact CB-CG 4.46Å; F622-P649 HydrophobicContact CD1-CG 3.84Å; F622-P649 HydrophobicContact CE1-CG 4.5Å; F622-P649 HydrophobicContact CG-CG 4.42Å; F622-A652 HydrophobicContact CD2-CB 3.78Å; F622-A652 HydrophobicContact CE2-CB 4.14Å; F622-A652 HydrophobicContact CG-CB 4.49Å
623	Y	63.6	Low	81.5	Confident	142 Å²	142	46.8 Å²	46.8	56%	0.557	25%	0.25	S	S	*	.			trans	-106.9	118	-175.3	-60.5	-79.4	0	0	0	109.5	Q603 Q628	Q603-Y623 HydrophobicContact CG-CE1 4.47Å; Y623-Q628 VanDerWaalsContact CD1-O 3.32Å; Y623-Q628 WeakPolarHBondContact CD1-O 3.4Å; Y623-Q628 WeakPolarHBondContact CE1-O 3.5Å
624	D	67.3	Low	80.7	Confident	29 Å²	29	49 Å²	49	16%	0.155	26%	0.262	C	S	.	.			trans	-88.9	152.1	165.7	-171.7	-80.9	0	0	0	109.2	Y437 Y442 R626 W627	Y437-D624 PolarHBondContact OH-OD2 2.89Å; Y442-D624 WeakPolarHBondContact OH-CB 3.37Å; Y442-D624 PolarHBondContact OH-OD2 3.39Å; D624-R626 PolarHBondContact O-N 2.94Å; D624-R626 WeakPolarHBondContact OD1-CB 3.41Å; D624-R626 PolarHBondContact OD1-N 2.77Å; D624-W627 HydrophobicContact CB-CB 3.99Å; D624-W627 PolarHBondContact N-O 3.32Å; D624-W627 CarbonylContact O-C 3.53Å; D624-W627 PolarHBondContact O-N 2.8Å; D624-W627 VanDerWaalsContact O-N 3.16Å
625	R	65.7	Low	79.7	Confident	208 Å²	208	54 Å²	54	79%	0.785	28%	0.284	S	S	*	.	S	Bend	trans	-56.8	-18.8	173.5	-72.6	172.9	165.5	164.3	-7.2	113.2	E659	R625-E659 IonicContact CZ-OE2 2.72Å; R625-E659 IonicContact NH1-OE2 3.47Å; R625-E659 PolarHBondContact NH1-OE2 2.96Å
626	R	71.8	Confident	78.7	Confident	99 Å²	99	52.5 Å²	52.5	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-112.1	-16.5	178.5	-57.8	-180	177.6	-76.4	-1.5	114.1	F434 D624	F434-R626 HydrophobicContact CD1-CB 4.24Å; F434-R626 WeakPolarHBondContact CD1-O 3.42Å; F434-R626 HydrophobicContact CE1-CB 4.34Å; F434-R626 VanDerWaalsContact CE1-O 3.26Å; F434-R626 WeakPolarHBondContact CE1-O 3.2Å; D624-R626 PolarHBondContact O-N 2.94Å; D624-R626 WeakPolarHBondContact OD1-CB 3.41Å; D624-R626 PolarHBondContact OD1-N 2.77Å
627	W	82.4	Confident	77.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.			trans	-129.5	101.3	-177.1	-66.3	86.5	0	0	0	110.5	F428 F434 Y437 F438 Y442 L553 F599 D624 T629 V630	F428-W627 HydrophobicContact CD1-CH2 4.02Å; F428-W627 AromaticContact CE1-CH2 3.49Å; F428-W627 HydrophobicContact CE1-CH2 3.49Å; F428-W627 VanDerWaalsContact CE1-CH2 3.49Å; F428-W627 AromaticContact CE1-CZ3 3.76Å; F428-W627 HydrophobicContact CE1-CZ3 3.76Å; F428-W627 HydrophobicContact CZ-CH2 4.4Å; F428-W627 HydrophobicContact CZ-CZ3 4.32Å; F434-W627 HydrophobicContact CB-CZ2 4.18Å; Y437-W627 AromaticContact CD1-NE1 3.97Å; F438-W627 HydrophobicContact CB-CH2 4.45Å; F438-W627 HydrophobicContact CB-CZ2 3.63Å; F438-W627 HydrophobicContact CD2-CH2 4.48Å; F438-W627 HydrophobicContact CD2-CZ2 4.26Å; F438-W627 HydrophobicContact CG-CZ2 4.17Å; Y442-W627 AromaticContact CE2-CD1 3.89Å; Y442-W627 HydrophobicContact CE2-CG 4.32Å; L553-W627 HydrophobicContact CD2-CH2 4.17Å; F599-W627 HydrophobicContact CB-CE3 3.85Å; F599-W627 HydrophobicContact CB-CZ3 3.68Å; D624-W627 HydrophobicContact CB-CB 3.99Å; D624-W627 PolarHBondContact N-O 3.32Å; D624-W627 CarbonylContact O-C 3.53Å; D624-W627 PolarHBondContact O-N 2.8Å; D624-W627 VanDerWaalsContact O-N 3.16Å; W627-T629 PolarHBondContact O-N 3.48Å; W627-V630 HydrophobicContact CB-CG2 3.43Å; W627-V630 VanDerWaalsContact CB-CG2 3.43Å; W627-V630 HydrophobicContact CG-CG2 4.28Å
628	Q	83	Confident	76	Confident	91 Å²	91	57.6 Å²	57.6	43%	0.425	28%	0.282	S	S	.	.	S	Bend	trans	-76.7	-3.5	-177.7	-65.6	-179.2	22.5	0	0	113.7	S600 P601 V602 Q603 Y623	S600-Q628 PolarHBondContact O-N 2.81Å; P601-Q628 WeakPolarHBondContact O-CB 3.23Å; P601-Q628 VanDerWaalsContact O-CD 3.27Å; P601-Q628 VanDerWaalsContact O-CG 3.24Å; P601-Q628 WeakPolarHBondContact O-CG 3.42Å; P601-Q628 PolarHBondContact O-NE2 3.15Å; V602-Q628 VanDerWaalsContact C-CB 3.44Å; Q603-Q628 HydrophobicContact CG-CB 3.92Å; Q603-Q628 VanDerWaalsContact N-OE1 3.09Å; Y623-Q628 VanDerWaalsContact CD1-O 3.32Å; Y623-Q628 WeakPolarHBondContact CD1-O 3.4Å; Y623-Q628 WeakPolarHBondContact CE1-O 3.5Å
629	T	87.5	Confident	74.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	111	166.6	-67.5	0	0	0	0	108.6	F599 S600 V602 Q603 S604 L607 L608 W627	F599-T629 CarbonylContact C-O 2.79Å; F599-T629 WeakPolarHBondContact CA-O 3.49Å; S600-T629 PolarHBondContact N-O 2.74Å; S600-T629 PolarHBondContact O-N 3.41Å; V602-T629 PolarHBondContact O-OG1 3.05Å; Q603-T629 WeakPolarHBondContact CA-OG1 3.24Å; S604-T629 PolarHBondContact N-OG1 3.05Å; L607-T629 HydrophobicContact CD2-CG2 4.08Å; L608-T629 HydrophobicContact CD1-CG2 4.3Å; L608-T629 HydrophobicContact CD2-CG2 3.7Å; L608-T629 HydrophobicContact CG-CG2 3.76Å; W627-T629 PolarHBondContact O-N 3.48Å
630	V	89.6	Confident	72.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.3	168.5	-173.8	0	0	0	0	108.3	V598 F599 P621 F622 W627 L632	V598-V630 WeakPolarHBondContact O-CA 3.34Å; F599-V630 HydrophobicContact CD1-CG1 3.85Å; F599-V630 HydrophobicContact CD1-CG2 4.12Å; F599-V630 HydrophobicContact CE1-CG1 3.56Å; F599-V630 HydrophobicContact CZ-CG1 4.31Å; P621-V630 VanDerWaalsContact CA-O 3.3Å; P621-V630 WeakPolarHBondContact CA-O 3.19Å; F622-V630 HydrophobicContact CD2-CB 4.41Å; F622-V630 HydrophobicContact CE1-CB 4.3Å; F622-V630 HydrophobicContact CE1-CG1 3.79Å; F622-V630 HydrophobicContact CE2-CB 4.09Å; F622-V630 HydrophobicContact CE2-CG1 3.87Å; F622-V630 HydrophobicContact CZ-CB 4.03Å; F622-V630 HydrophobicContact CZ-CG1 3.4Å; F622-V630 PolarHBondContact N-O 2.7Å; F622-V630 VanDerWaalsContact N-O 3.11Å; W627-V630 HydrophobicContact CB-CG2 3.43Å; W627-V630 VanDerWaalsContact CB-CG2 3.43Å; W627-V630 HydrophobicContact CG-CG2 4.28Å; V630-L632 HydrophobicContact CG1-CD2 4.44Å; V630-L632 HydrophobicContact CG1-CG 4.48Å
631	A	89.6	Confident	70.5	Confident	1 Å²	1	60 Å²	60	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.9	165.8	0	0	0	0	0	109.5	S597 V598 L608 Y611 A619	S597-A631 CarbonylContact C-O 3.56Å; S597-A631 WeakPolarHBondContact CA-O 2.93Å; V598-A631 HydrophobicContact CG2-CB 3.91Å; V598-A631 PolarHBondContact N-O 3.09Å; V598-A631 PolarHBondContact O-N 2.84Å; V598-A631 VanDerWaalsContact O-N 3.09Å; L608-A631 HydrophobicContact CD2-CB 3.95Å; Y611-A631 HydrophobicContact CD2-CB 3.71Å; Y611-A631 HydrophobicContact CE2-CB 3.81Å; Y611-A631 HydrophobicContact CG-CB 4.21Å; A619-A631 HydrophobicContact CB-CB 4.27Å
632	L	89.3	Confident	68.5	Low	6 Å²	6	63.3 Å²	63.3	3%	0.031	30%	0.3	C	S	.	.			trans	-98.8	139.7	177.1	-58.2	176.3	0	0	0	108.2	I446 F599 Y611 F622 V630 L637 I646	I446-L632 HydrophobicContact CD1-CD2 3.83Å; F599-L632 HydrophobicContact CE1-CD2 4.33Å; F599-L632 HydrophobicContact CE2-CD2 4.35Å; F599-L632 HydrophobicContact CZ-CD2 3.62Å; Y611-L632 PolarHBondContact OH-O 2.91Å; Y611-L632 VanDerWaalsContact OH-O 3.05Å; F622-L632 HydrophobicContact CE1-CD1 3.98Å; F622-L632 HydrophobicContact CE1-CG 3.98Å; F622-L632 HydrophobicContact CZ-CD1 3.93Å; F622-L632 HydrophobicContact CZ-CG 4.16Å; V630-L632 HydrophobicContact CG1-CD2 4.44Å; V630-L632 HydrophobicContact CG1-CG 4.48Å; L632-L637 HydrophobicContact CB-CD2 4.36Å; L632-L637 HydrophobicContact CD1-CD2 4.31Å; L632-I646 HydrophobicContact CD1-CG2 3.72Å
633	S	87.2	Confident	66.7	Low	2 Å²	2	71.1 Å²	71.1	1%	0.014	34%	0.337	C	S	.	.			trans	-67.1	149.5	177.7	59.4	0	0	0	0	111.6	H549 L596 S597 Y611 K635 L636 L637	H549-S633 PolarHBondContact CE1-OG 2.81Å; L596-S633 WeakPolarHBondContact O-CB 3.46Å; S597-S633 PolarHBondContact OG-N 2.96Å; Y611-S633 WeakPolarHBondContact OH-CA 2.43Å; S633-K635 PolarHBondContact O-N 2.91Å; S633-K635 VanDerWaalsContact O-N 3.13Å; S633-L636 WeakPolarHBondContact O-CB 3.12Å; S633-L636 PolarHBondContact O-N 2.93Å; S633-L637 PolarHBondContact O-N 2.94Å
634	D	76	Confident	65.3	Low	51 Å²	51	69.2 Å²	69.2	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-54.3	-37.6	-179.9	-50.7	-61.1	0	0	0	112.1	T617 L636 L637 E638	T617-D634 WeakPolarHBondContact CB-OD2 2.47Å; T617-D634 PolarHBondContact OG1-OD2 3.27Å; D634-L636 PolarHBondContact O-N 3.32Å; D634-L637 CarbonylContact O-C 3.56Å; D634-L637 WeakPolarHBondContact O-CA 3.25Å; D634-L637 WeakPolarHBondContact O-CB 3.06Å; D634-L637 PolarHBondContact O-N 3.01Å; D634-E638 WeakPolarHBondContact O-CB 3.33Å; D634-E638 WeakPolarHBondContact O-CG 3.16Å; D634-E638 PolarHBondContact O-N 3.42Å
635	K	70.1	Confident	63.9	Low	110 Å²	110	75.6 Å²	75.6	48%	0.478	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-21.4	173.1	-58	-168.8	-170.3	176.9	0	116	G593 A595 S633	G593-K635 PolarHBondContact O-NZ 2.8Å; A595-K635 HydrophobicContact CB-CD 3.91Å; A595-K635 HydrophobicContact CB-CG 4.35Å; S633-K635 PolarHBondContact O-N 2.91Å; S633-K635 VanDerWaalsContact O-N 3.13Å
636	L	70	Confident	63	Low	5 Å²	5	66.3 Å²	66.3	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-90.1	-31.6	171.8	-75.8	173.3	0	0	0	112	I446 L450 H549 S633 D634 S639 I646	I446-L636 HydrophobicContact CD1-CD1 4.44Å; I446-L636 HydrophobicContact CG1-CD1 4.17Å; I446-L636 HydrophobicContact CG2-CD1 3.9Å; I446-L636 HydrophobicContact CG2-CD2 4.1Å; L450-L636 HydrophobicContact CD2-CD2 3.78Å; L450-L636 HydrophobicContact CG-CD2 3.87Å; H549-L636 WeakPolarHBondContact CE1-CD1 3.3Å; S633-L636 WeakPolarHBondContact O-CB 3.12Å; S633-L636 PolarHBondContact O-N 2.93Å; D634-L636 PolarHBondContact O-N 3.32Å; L636-S639 PolarHBondContact O-N 3.21Å; L636-S639 PolarHBondContact O-OG 3.48Å; L636-I646 HydrophobicContact CB-CD1 4.13Å; L636-I646 HydrophobicContact CD2-CD1 3.97Å; L636-I646 HydrophobicContact CG-CD1 4.49Å
637	L	63.5	Low	61.8	Low	76 Å²	76	62.5 Å²	62.5	40%	0.398	30%	0.304	S	S	.	.	H	α-helix	trans	-72.9	-35.7	177.2	-58.7	176.4	0	0	0	110.9	L632 S633 D634 S639	L632-L637 HydrophobicContact CB-CD2 4.36Å; L632-L637 HydrophobicContact CD1-CD2 4.31Å; S633-L637 PolarHBondContact O-N 2.94Å; D634-L637 CarbonylContact O-C 3.56Å; D634-L637 WeakPolarHBondContact O-CA 3.25Å; D634-L637 WeakPolarHBondContact O-CB 3.06Å; D634-L637 PolarHBondContact O-N 3.01Å; L637-S639 VanDerWaalsContact C-N 3.28Å; L637-S639 PolarHBondContact O-N 3.5Å
638	E	53.9	Low	59.9	Low	139 Å²	139	62.8 Å²	62.8	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.2	173.5	-62.9	171.9	165.8	0	0	113.3	D634 D640	D634-E638 WeakPolarHBondContact O-CB 3.33Å; D634-E638 WeakPolarHBondContact O-CG 3.16Å; D634-E638 PolarHBondContact O-N 3.42Å; E638-D640 PolarHBondContact O-N 2.88Å
639	S	52.4	Low	57.9	Low	33 Å²	33	61.2 Å²	61.2	23%	0.231	31%	0.305	C	S	.	.			trans	-76.9	71.9	177.3	70.1	0	0	0	0	111.2	N449 L636 L637 I641	N449-S639 PolarHBondContact ND2-OG 3.02Å; L636-S639 PolarHBondContact O-N 3.21Å; L636-S639 PolarHBondContact O-OG 3.48Å; L637-S639 VanDerWaalsContact C-N 3.28Å; L637-S639 PolarHBondContact O-N 3.5Å; S639-I641 VanDerWaalsContact C-N 3.28Å; S639-I641 PolarHBondContact O-N 2.94Å
640	D	37.2	Very low	55.7	Low	144 Å²	144	66.9 Å²	66.9	77%	0.77	33%	0.333	S	S	*	.			trans	-66.9	74	-171.2	-99.7	-31.8	0	0	0	113.9	E638	E638-D640 PolarHBondContact O-N 2.88Å
641	I	34.9	Very low	53.6	Low	60 Å²	60	67.8 Å²	67.8	31%	0.308	34%	0.34	S	S	.	.			trans	-108.3	96.7	157.7	-59.1	180	0	0	0	106.4	S639 E643 R644	S639-I641 VanDerWaalsContact C-N 3.28Å; S639-I641 PolarHBondContact O-N 2.94Å; I641-E643 PolarHBondContact O-N 2.83Å; I641-R644 PolarHBondContact O-N 2.69Å
642	P	31.9	Very low	51.5	Low	114 Å²	114	68.7 Å²	68.7	74%	0.74	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.5	-168.5	-30.3	36.6	0	0	0	115.6	R644	P642-R644 VanDerWaalsContact C-N 3.29Å; P642-R644 PolarHBondContact O-N 3.19Å
643	E	32.9	Very low	49.3	Very low	182 Å²	182	71.1 Å²	71.1	85%	0.85	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-13.1	178.3	-57.5	-171.2	141.8	0	0	114.1	I641	I641-E643 PolarHBondContact O-N 2.83Å
644	R	34.6	Very low	47.4	Very low	101 Å²	101	76.3 Å²	76.3	38%	0.381	39%	0.391	S	S	.	.			trans	-135.9	65.2	-172.7	-63.2	-170.6	-176.3	-148.8	-0.8	112.6	N449 I641 P642 I646	N449-R644 PolarHBondContact ND2-O 2.95Å; I641-R644 PolarHBondContact O-N 2.69Å; P642-R644 VanDerWaalsContact C-N 3.29Å; P642-R644 PolarHBondContact O-N 3.19Å; R644-I646 PolarHBondContact O-N 2.75Å
645	R	37.6	Very low	46	Very low	164 Å²	164	77 Å²	77	62%	0.619	39%	0.393	S	S	*	.			trans	-58.2	111.4	159.8	-68	-177.6	-179.7	-180	-2	109.1	A651	R645-A651 HydrophobicContact CB-CB 4.23Å
646	I	46.8	Very low	45	Very low	13 Å²	13	74.5 Å²	74.5	7%	0.067	39%	0.392	C	S	.	.			trans	-53.6	152.3	154.4	-62.9	159	0	0	0	107.2	P445 I446 N449 L632 L636 R644 G648 A651	P445-I646 HydrophobicContact CB-CG1 4.08Å; I446-I646 HydrophobicContact CG1-CD1 4.04Å; I446-I646 HydrophobicContact CG1-CG1 4.38Å; I446-I646 HydrophobicContact CG1-CG2 4.03Å; N449-I646 HydrophobicContact CB-CD1 3.99Å; N449-I646 HydrophobicContact CB-CG1 4.46Å; L632-I646 HydrophobicContact CD1-CG2 3.72Å; L636-I646 HydrophobicContact CB-CD1 4.13Å; L636-I646 HydrophobicContact CD2-CD1 3.97Å; L636-I646 HydrophobicContact CG-CD1 4.49Å; R644-I646 PolarHBondContact O-N 2.75Å; I646-G648 PolarHBondContact O-N 2.92Å; I646-A651 WeakPolarHBondContact O-CB 3.45Å
647	V	47.8	Very low	44.2	Very low	18 Å²	18	79 Å²	79	11%	0.109	41%	0.413	C	S	.	.	S	Bend	trans	-72	58	177.6	-165.2	0	0	0	0	111.4	Y442 F622 A652	Y442-V647 HydrophobicContact CE1-CB 4.27Å; F622-V647 WeakPolarHBondContact CE2-O 3.4Å; F622-V647 WeakPolarHBondContact CZ-O 3.37Å; V647-A652 HydrophobicContact CG1-CB 3.97Å
648	G	42.4	Very low	43.6	Very low	6 Å²	6	78.3 Å²	78.3	6%	0.062	41%	0.413	C	S	.	.			trans	-77.6	178.9	166.4	0	0	0	0	0	111.6	I646 M650 A651 A652	I646-G648 PolarHBondContact O-N 2.92Å; G648-M650 VanDerWaalsContact C-N 3.34Å; G648-M650 PolarHBondContact O-N 3.31Å; G648-A651 CarbonylContact O-C 2.9Å; G648-A651 WeakPolarHBondContact O-CA 3.44Å; G648-A651 PolarHBondContact O-N 2.91Å; G648-A652 PolarHBondContact O-N 3.39Å
649	P	41.2	Very low	43.3	Very low	59 Å²	59	74.8 Å²	74.8	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-49.7	-43.8	-161.4	-30.7	34.6	0	0	0	116.1	F622 A653	F622-P649 HydrophobicContact CB-CG 4.46Å; F622-P649 HydrophobicContact CD1-CG 3.84Å; F622-P649 HydrophobicContact CE1-CG 4.5Å; F622-P649 HydrophobicContact CG-CG 4.42Å; P649-A653 WeakPolarHBondContact O-CB 3.32Å; P649-A653 PolarHBondContact O-N 2.85Å
650	M	40.2	Very low	43.5	Very low	121 Å²	121	75.1 Å²	75.1	60%	0.596	40%	0.401	S	S	*	.	H	α-helix	trans	-70.5	-36.8	178.5	-166.4	-170.7	-60.2	0	0	112.8	G648 F654	G648-M650 VanDerWaalsContact C-N 3.34Å; G648-M650 PolarHBondContact O-N 3.31Å; M650-F654 HydrophobicContact CG-CD2 4.46Å; M650-F654 WeakPolarHBondContact O-CB 3.47Å; M650-F654 WeakPolarHBondContact O-CD2 3.19Å; M650-F654 PolarHBondContact O-N 2.99Å
651	A	45.4	Very low	44.1	Very low	18 Å²	18	72.6 Å²	72.6	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-78.4	-29.7	175.9	0	0	0	0	0	112.1	R645 I646 G648 F654 H655	R645-A651 HydrophobicContact CB-CB 4.23Å; I646-A651 WeakPolarHBondContact O-CB 3.45Å; G648-A651 CarbonylContact O-C 2.9Å; G648-A651 WeakPolarHBondContact O-CA 3.44Å; G648-A651 PolarHBondContact O-N 2.91Å; A651-F654 PolarHBondContact O-N 3.46Å; A651-H655 VanDerWaalsContact O-CB 3.27Å; A651-H655 WeakPolarHBondContact O-CB 3.46Å; A651-H655 PolarHBondContact O-N 3.12Å
652	A	45.9	Very low	44.8	Very low	21 Å²	21	74.5 Å²	74.5	17%	0.174	39%	0.394	C	S	.	.	H	α-helix	trans	-66.5	-43	168.8	0	0	0	0	0	111	F622 V647 G648 H655 A656	F622-A652 HydrophobicContact CD2-CB 3.78Å; F622-A652 HydrophobicContact CE2-CB 4.14Å; F622-A652 HydrophobicContact CG-CB 4.49Å; V647-A652 HydrophobicContact CG1-CB 3.97Å; G648-A652 PolarHBondContact O-N 3.39Å; A652-H655 PolarHBondContact O-N 3.4Å; A652-A656 VanDerWaalsContact O-CB 3.29Å; A652-A656 WeakPolarHBondContact O-CB 3.4Å; A652-A656 PolarHBondContact O-N 3.44Å
653	A	44.4	Very low	45.7	Very low	57 Å²	57	72.1 Å²	72.1	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-45.8	171.5	0	0	0	0	0	111.6	P649 H655 A656 Q657	P649-A653 WeakPolarHBondContact O-CB 3.32Å; P649-A653 PolarHBondContact O-N 2.85Å; A653-H655 PolarHBondContact O-N 3.27Å; A653-A656 PolarHBondContact O-N 2.92Å; A653-Q657 VanDerWaalsContact O-CB 3.32Å; A653-Q657 WeakPolarHBondContact O-CB 3.28Å; A653-Q657 PolarHBondContact O-N 3.5Å
654	F	45.7	Very low	47.1	Very low	111 Å²	111	67.6 Å²	67.6	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-35.8	173.7	-102.5	-81.7	0	0	0	112.9	M650 A651 T658	M650-F654 HydrophobicContact CG-CD2 4.46Å; M650-F654 WeakPolarHBondContact O-CB 3.47Å; M650-F654 WeakPolarHBondContact O-CD2 3.19Å; M650-F654 PolarHBondContact O-N 2.99Å; A651-F654 PolarHBondContact O-N 3.46Å; F654-T658 WeakPolarHBondContact O-CB 3.41Å; F654-T658 PolarHBondContact O-N 2.88Å; F654-T658 PolarHBondContact O-OG1 3.11Å
655	H	46.2	Very low	48	Very low	66 Å²	66	66.3 Å²	66.3	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-75.2	-34.8	177.2	-159.5	-76.7	0	0	0	111.5	A651 A652 A653 T658 E659	A651-H655 VanDerWaalsContact O-CB 3.27Å; A651-H655 WeakPolarHBondContact O-CB 3.46Å; A651-H655 PolarHBondContact O-N 3.12Å; A652-H655 PolarHBondContact O-N 3.4Å; A653-H655 PolarHBondContact O-N 3.27Å; H655-T658 PolarHBondContact O-N 3.44Å; H655-E659 IonicContact CE1-OE1 3.23Å; H655-E659 PolarHBondContact CE1-OE1 3.28Å; H655-E659 VanDerWaalsContact CE1-OE1 3.25Å; H655-E659 IonicContact ND1-OE1 2.8Å; H655-E659 PolarHBondContact ND1-OE1 3.18Å; H655-E659 VanDerWaalsContact O-CB 3.28Å; H655-E659 WeakPolarHBondContact O-CB 3.44Å; H655-E659 WeakPolarHBondContact O-CG 3.29Å; H655-E659 PolarHBondContact O-N 2.91Å
656	A	50.5	Low	48.5	Very low	56 Å²	56	64.8 Å²	64.8	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-67.7	-39.8	171.7	0	0	0	0	0	111.9	A652 A653 A660	A652-A656 VanDerWaalsContact O-CB 3.29Å; A652-A656 WeakPolarHBondContact O-CB 3.4Å; A652-A656 PolarHBondContact O-N 3.44Å; A653-A656 PolarHBondContact O-N 2.92Å; A656-A660 WeakPolarHBondContact O-CB 3.33Å; A656-A660 PolarHBondContact O-N 2.86Å
657	Q	52.7	Low	48.7	Very low	99 Å²	99	66.9 Å²	66.9	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-43.7	171.5	-179.6	178	-16.6	0	0	111.2	A653 E659 A660 E661	A653-Q657 VanDerWaalsContact O-CB 3.32Å; A653-Q657 WeakPolarHBondContact O-CB 3.28Å; A653-Q657 PolarHBondContact O-N 3.5Å; Q657-E659 PolarHBondContact O-N 3.23Å; Q657-A660 CarbonylContact O-C 3.47Å; Q657-A660 WeakPolarHBondContact O-CB 3.29Å; Q657-A660 PolarHBondContact O-N 3.05Å; Q657-A660 VanDerWaalsContact O-N 3.14Å; Q657-E661 HydrophobicContact CG-CG 4.45Å; Q657-E661 WeakPolarHBondContact CG-OE1 3.35Å; Q657-E661 PolarHBondContact NE2-OE1 2.71Å; Q657-E661 WeakPolarHBondContact O-CB 3.43Å; Q657-E661 WeakPolarHBondContact O-CG 3.3Å; Q657-E661 PolarHBondContact O-N 3.02Å
658	T	50.6	Low	48.8	Very low	63 Å²	63	70.9 Å²	70.9	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-68.9	-33.2	178.2	-55.9	0	0	0	0	111.1	F654 H655 L662	F654-T658 WeakPolarHBondContact O-CB 3.41Å; F654-T658 PolarHBondContact O-N 2.88Å; F654-T658 PolarHBondContact O-OG1 3.11Å; H655-T658 PolarHBondContact O-N 3.44Å; T658-L662 HydrophobicContact CG2-CD1 3.92Å; T658-L662 HydrophobicContact CG2-CG 4.19Å; T658-L662 WeakPolarHBondContact O-CA 3.48Å; T658-L662 WeakPolarHBondContact O-CB 3.4Å; T658-L662 WeakPolarHBondContact O-CG 3.47Å; T658-L662 PolarHBondContact O-N 3.27Å
659	E	47.7	Very low	49.1	Very low	65 Å²	65	75 Å²	75	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-68.3	-35.3	169	-84.7	-173.1	-162.9	0	0	112.3	R625 H655 Q657 S663	R625-E659 IonicContact CZ-OE2 2.72Å; R625-E659 IonicContact NH1-OE2 3.47Å; R625-E659 PolarHBondContact NH1-OE2 2.96Å; H655-E659 IonicContact CE1-OE1 3.23Å; H655-E659 PolarHBondContact CE1-OE1 3.28Å; H655-E659 VanDerWaalsContact CE1-OE1 3.25Å; H655-E659 IonicContact ND1-OE1 2.8Å; H655-E659 PolarHBondContact ND1-OE1 3.18Å; H655-E659 VanDerWaalsContact O-CB 3.28Å; H655-E659 WeakPolarHBondContact O-CB 3.44Å; H655-E659 WeakPolarHBondContact O-CG 3.29Å; H655-E659 PolarHBondContact O-N 2.91Å; Q657-E659 PolarHBondContact O-N 3.23Å; E659-S663 VanDerWaalsContact O-CB 3.29Å; E659-S663 WeakPolarHBondContact O-CB 3.46Å; E659-S663 PolarHBondContact O-N 3.16Å; E659-S663 PolarHBondContact O-OG 3Å
660	A	56.1	Low	49.4	Very low	40 Å²	40	74.8 Å²	74.8	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-68.6	-45.4	173.2	0	0	0	0	0	111.2	A656 Q657 S663 I664	A656-A660 WeakPolarHBondContact O-CB 3.33Å; A656-A660 PolarHBondContact O-N 2.86Å; Q657-A660 CarbonylContact O-C 3.47Å; Q657-A660 WeakPolarHBondContact O-CB 3.29Å; Q657-A660 PolarHBondContact O-N 3.05Å; Q657-A660 VanDerWaalsContact O-N 3.14Å; A660-S663 PolarHBondContact O-N 3.16Å; A660-S663 PolarHBondContact O-OG 3.07Å; A660-I664 WeakPolarHBondContact O-CB 3.35Å; A660-I664 VanDerWaalsContact O-CD1 3.32Å; A660-I664 WeakPolarHBondContact O-CD1 3.39Å; A660-I664 WeakPolarHBondContact O-CG1 3.26Å; A660-I664 PolarHBondContact O-N 3.11Å
661	E	50.8	Low	49.4	Very low	90 Å²	90	71 Å²	71	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-66.5	-39.2	175.7	-72.8	179.8	-154	0	0	111.6	Q657 I664 I665	Q657-E661 HydrophobicContact CG-CG 4.45Å; Q657-E661 WeakPolarHBondContact CG-OE1 3.35Å; Q657-E661 PolarHBondContact NE2-OE1 2.71Å; Q657-E661 WeakPolarHBondContact O-CB 3.43Å; Q657-E661 WeakPolarHBondContact O-CG 3.3Å; Q657-E661 PolarHBondContact O-N 3.02Å; E661-I664 CarbonylContact O-C 3.55Å; E661-I664 PolarHBondContact O-N 3.37Å; E661-I665 VanDerWaalsContact O-CB 3.26Å; E661-I665 WeakPolarHBondContact O-CB 3.47Å; E661-I665 WeakPolarHBondContact O-CD1 3.41Å; E661-I665 WeakPolarHBondContact O-CG1 3.33Å; E661-I665 PolarHBondContact O-N 3.36Å
662	L	49.3	Very low	49.1	Very low	100 Å²	100	72.2 Å²	72.2	52%	0.524	39%	0.387	S	S	.	.	H	α-helix	trans	-67.9	-38.5	173.2	-76.8	171.7	0	0	0	112	T658 I664 I665 E666	T658-L662 HydrophobicContact CG2-CD1 3.92Å; T658-L662 HydrophobicContact CG2-CG 4.19Å; T658-L662 WeakPolarHBondContact O-CA 3.48Å; T658-L662 WeakPolarHBondContact O-CB 3.4Å; T658-L662 WeakPolarHBondContact O-CG 3.47Å; T658-L662 PolarHBondContact O-N 3.27Å; L662-I664 VanDerWaalsContact C-N 3.31Å; L662-I664 PolarHBondContact O-N 3.44Å; L662-I665 PolarHBondContact O-N 3.46Å; L662-E666 WeakPolarHBondContact O-CB 3.08Å; L662-E666 PolarHBondContact O-N 3.15Å
663	S	50.3	Low	49	Very low	65 Å²	65	78.2 Å²	78.2	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-37.2	174.2	73.7	0	0	0	0	111.2	E659 A660 H667	E659-S663 VanDerWaalsContact O-CB 3.29Å; E659-S663 WeakPolarHBondContact O-CB 3.46Å; E659-S663 PolarHBondContact O-N 3.16Å; E659-S663 PolarHBondContact O-OG 3Å; A660-S663 PolarHBondContact O-N 3.16Å; A660-S663 PolarHBondContact O-OG 3.07Å; S663-H667 WeakPolarHBondContact O-CB 3.48Å; S663-H667 PolarHBondContact O-N 3.46Å
664	I	63.4	Low	48.7	Very low	86 Å²	86	81.4 Å²	81.4	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-67.2	-38.9	172.3	-68.6	163.2	0	0	0	111.9	A660 E661 L662 H667 K668	A660-I664 WeakPolarHBondContact O-CB 3.35Å; A660-I664 VanDerWaalsContact O-CD1 3.32Å; A660-I664 WeakPolarHBondContact O-CD1 3.39Å; A660-I664 WeakPolarHBondContact O-CG1 3.26Å; A660-I664 PolarHBondContact O-N 3.11Å; E661-I664 CarbonylContact O-C 3.55Å; E661-I664 PolarHBondContact O-N 3.37Å; L662-I664 VanDerWaalsContact C-N 3.31Å; L662-I664 PolarHBondContact O-N 3.44Å; I664-H667 VanDerWaalsContact O-CB 3.25Å; I664-H667 WeakPolarHBondContact O-CB 3.38Å; I664-K668 HydrophobicContact CG2-CD 4.48Å; I664-K668 WeakPolarHBondContact O-CG 3.5Å; I664-K668 PolarHBondContact O-N 3.3Å
665	I	53	Low	48.2	Very low	75 Å²	75	78.8 Å²	78.8	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-77.1	-34.1	180	-72.1	163.7	0	0	0	111.3	E661 L662 K668 Q669	E661-I665 VanDerWaalsContact O-CB 3.26Å; E661-I665 WeakPolarHBondContact O-CB 3.47Å; E661-I665 WeakPolarHBondContact O-CD1 3.41Å; E661-I665 WeakPolarHBondContact O-CG1 3.33Å; E661-I665 PolarHBondContact O-N 3.36Å; L662-I665 PolarHBondContact O-N 3.46Å; I665-K668 CarbonylContact O-C 3.6Å; I665-K668 PolarHBondContact O-N 3.47Å; I665-Q669 HydrophobicContact CG2-CG 4.41Å; I665-Q669 WeakPolarHBondContact O-CB 3.49Å; I665-Q669 WeakPolarHBondContact O-CG 3.44Å; I665-Q669 PolarHBondContact O-N 3.02Å
666	E	48.4	Very low	47.5	Very low	131 Å²	131	82.4 Å²	82.4	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-71.7	-37.5	173	-169	163.9	-135.2	0	0	110.7	L662 K668 Q669 L670	L662-E666 WeakPolarHBondContact O-CB 3.08Å; L662-E666 PolarHBondContact O-N 3.15Å; E666-K668 VanDerWaalsContact C-N 3.32Å; E666-K668 PolarHBondContact O-N 3.2Å; E666-Q669 PolarHBondContact O-N 3.24Å; E666-L670 HydrophobicContact CG-CD1 4.11Å; E666-L670 WeakPolarHBondContact O-CB 3.46Å; E666-L670 WeakPolarHBondContact O-CG 3.17Å; E666-L670 PolarHBondContact O-N 3.34Å
667	H	49.9	Very low	46.7	Very low	58 Å²	58	85.9 Å²	85.9	27%	0.269	44%	0.444	S	S	.	.	H	α-helix	trans	-48.1	-54.1	161.4	-114.6	-116.8	0	0	0	110.5	S663 I664 F671 P1166	S663-H667 WeakPolarHBondContact O-CB 3.48Å; S663-H667 PolarHBondContact O-N 3.46Å; I664-H667 VanDerWaalsContact O-CB 3.25Å; I664-H667 WeakPolarHBondContact O-CB 3.38Å; H667-F671 AromaticContact ND1-CE2 3.98Å; H667-F671 WeakPolarHBondContact O-CD2 3.44Å; H667-P1166 VanDerWaalsContact ND1-CD 3.3Å; H667-P1166 WeakPolarHBondContact ND1-CD 3.42Å
668	K	51.4	Low	45.6	Very low	101 Å²	101	88.7 Å²	88.7	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-68.3	-36.3	-178.2	-74.6	174.3	179.2	175.8	0	114.1	I664 I665 E666 S672 L1164	I664-K668 HydrophobicContact CG2-CD 4.48Å; I664-K668 WeakPolarHBondContact O-CG 3.5Å; I664-K668 PolarHBondContact O-N 3.3Å; I665-K668 CarbonylContact O-C 3.6Å; I665-K668 PolarHBondContact O-N 3.47Å; E666-K668 VanDerWaalsContact C-N 3.32Å; E666-K668 PolarHBondContact O-N 3.2Å; K668-S672 PolarHBondContact O-N 3.42Å; K668-S672 PolarHBondContact O-OG 3.07Å; K668-L1164 HydrophobicContact CB-CD2 3.88Å; K668-L1164 HydrophobicContact CD-CD1 4.37Å; K668-L1164 HydrophobicContact CG-CD1 4.31Å; K668-L1164 HydrophobicContact CG-CD2 4.08Å; K668-L1164 WeakPolarHBondContact O-CD2 3.34Å
669	Q	47.3	Very low	44.5	Very low	92 Å²	92	88.5 Å²	88.5	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-74.5	-30.3	179.9	-79.2	-152.1	34.3	0	0	113	I665 E666 S672 K673	I665-Q669 HydrophobicContact CG2-CG 4.41Å; I665-Q669 WeakPolarHBondContact O-CB 3.49Å; I665-Q669 WeakPolarHBondContact O-CG 3.44Å; I665-Q669 PolarHBondContact O-N 3.02Å; E666-Q669 PolarHBondContact O-N 3.24Å; Q669-S672 WeakPolarHBondContact CA-OG 3.44Å; Q669-S672 PolarHBondContact O-OG 2.95Å; Q669-K673 WeakPolarHBondContact O-CB 3.36Å; Q669-K673 PolarHBondContact O-N 3.48Å
670	L	47.7	Very low	43.7	Very low	55 Å²	55	93.4 Å²	93.4	29%	0.288	50%	0.496	S	S	.	.	H	α-helix	trans	-70.7	-34.9	176.7	-77.8	162.8	0	0	0	112.6	E666 Q674 C1165 P1166	E666-L670 HydrophobicContact CG-CD1 4.11Å; E666-L670 WeakPolarHBondContact O-CB 3.46Å; E666-L670 WeakPolarHBondContact O-CG 3.17Å; E666-L670 PolarHBondContact O-N 3.34Å; L670-Q674 PolarHBondContact O-N 3.43Å; L670-C1165 CarbonylContact C-O 3.57Å; L670-P1166 HydrophobicContact CB-CB 3.85Å; L670-P1166 HydrophobicContact CD1-CB 3.83Å; L670-P1166 HydrophobicContact CG-CB 4.5Å
671	F	41.1	Very low	42.2	Very low	41 Å²	41	96.5 Å²	96.5	18%	0.18	52%	0.515	C	S	.	.	H	α-helix	trans	-67.3	-48.3	171.8	-69.6	-67.6	0	0	0	111.6	H667 K673 Q674 T675 L1164 C1165 P1166	H667-F671 AromaticContact ND1-CE2 3.98Å; H667-F671 WeakPolarHBondContact O-CD2 3.44Å; F671-K673 VanDerWaalsContact C-N 3.33Å; F671-K673 PolarHBondContact O-N 2.91Å; F671-Q674 PolarHBondContact O-N 3.44Å; F671-Q674 VanDerWaalsContact O-N 3.1Å; F671-T675 PolarHBondContact O-N 2.87Å; F671-T675 VanDerWaalsContact O-N 3.12Å; F671-T675 PolarHBondContact O-OG1 3.32Å; F671-L1164 VanDerWaalsContact CD2-O 3.24Å; F671-L1164 WeakPolarHBondContact CD2-O 3.37Å; F671-L1164 WeakPolarHBondContact CE2-O 3.18Å; F671-C1165 WeakPolarHBondContact CA-O 3.22Å; F671-C1165 VanDerWaalsContact CB-N 3.31Å; F671-C1165 VanDerWaalsContact CB-O 3.26Å; F671-C1165 WeakPolarHBondContact CB-O 3.45Å; F671-C1165 HydrophobicContact CD1-CB 2.88Å; F671-C1165 WeakPolarHBondContact CD1-O 3.41Å; F671-C1165 HydrophobicContact CD2-CB 3.93Å; F671-C1165 WeakPolarHBondContact CD2-O 3.38Å; F671-C1165 HydrophobicContact CE1-CB 2.61Å; F671-C1165 WeakPolarHBondContact CE1-O 3.46Å; F671-C1165 WeakPolarHBondContact CE1-SG 3.34Å; F671-C1165 HydrophobicContact CE2-CB 3.69Å; F671-C1165 VanDerWaalsContact CE2-N 3.33Å; F671-C1165 HydrophobicContact CG-CB 3.59Å; F671-C1165 WeakPolarHBondContact CG-O 3.45Å; F671-C1165 HydrophobicContact CZ-CB 3.04Å; F671-C1165 WeakPolarHBondContact CZ-O 3.47Å; F671-C1165 WeakPolarHBondContact CZ-SG 3.44Å; F671-C1165 PolarHBondContact N-O 3.05Å; F671-P1166 HydrophobicContact CE2-CG 4.28Å; F671-P1166 HydrophobicContact CZ-CG 4.29Å
672	S	39.1	Very low	41.2	Very low	44 Å²	44	98.2 Å²	98.2	31%	0.308	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-34.3	-175.2	44.4	0	0	0	0	112.2	K668 Q669 T675	K668-S672 PolarHBondContact O-N 3.42Å; K668-S672 PolarHBondContact O-OG 3.07Å; Q669-S672 WeakPolarHBondContact CA-OG 3.44Å; Q669-S672 PolarHBondContact O-OG 2.95Å; S672-T675 PolarHBondContact O-N 3.33Å
673	K	42.5	Very low	40.2	Very low	147 Å²	147	102.7 Å²	102.7	64%	0.639	54%	0.537	S	S	*	.	H	α-helix	trans	-72.8	-22.6	171.7	-77.9	170	174.1	155.1	0	114.5	Q669 F671	Q669-K673 WeakPolarHBondContact O-CB 3.36Å; Q669-K673 PolarHBondContact O-N 3.48Å; F671-K673 VanDerWaalsContact C-N 3.33Å; F671-K673 PolarHBondContact O-N 2.91Å
674	Q	40	Very low	39.3	Very low	125 Å²	125	105.7 Å²	105.7	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-83.3	-18.3	171.6	-80.7	-154.9	-39.9	0	0	114.3	L670 F671 S1167	L670-Q674 PolarHBondContact O-N 3.43Å; F671-Q674 PolarHBondContact O-N 3.44Å; F671-Q674 VanDerWaalsContact O-N 3.1Å; Q674-S1167 VanDerWaalsContact CD-CB 3.42Å; Q674-S1167 WeakPolarHBondContact CG-OG 3.4Å; Q674-S1167 PolarHBondContact NE2-OG 3.02Å; Q674-S1167 VanDerWaalsContact OE1-CB 3.29Å; Q674-S1167 PolarHBondContact OE1-OG 3.34Å
675	T	34.6	Very low	37.8	Very low	55 Å²	55	107.1 Å²	107.1	34%	0.337	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	12.4	-175.3	-32.6	0	0	0	0	113.8	F671 S672 Q1163	F671-T675 PolarHBondContact O-N 2.87Å; F671-T675 VanDerWaalsContact O-N 3.12Å; F671-T675 PolarHBondContact O-OG1 3.32Å; S672-T675 PolarHBondContact O-N 3.33Å; T675-Q1163 HydrophobicContact CG2-CG 3.85Å
676	L	31.9	Very low	36.7	Very low	143 Å²	143	110.3 Å²	110.3	75%	0.749	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	30.4	-178.1	-80.8	170.6	0	0	0	115
677	T	33.4	Very low	35.9	Very low	129 Å²	129	110.5 Å²	110.5	79%	0.791	57%	0.572	S	S	*	*	S	Bend	trans	-134.8	82	156.8	41.3	0	0	0	0	110.4
678	N	28.2	Very low	35.1	Very low	157 Å²	157	111.1 Å²	111.1	84%	0.84	58%	0.583	S	S	*	*			trans	-69.3	142.7	174.7	-90.5	-42.8	0	0	0	112.7
679	G	29.5	Very low	34.2	Very low	59 Å²	59	113.9 Å²	113.9	61%	0.608	60%	0.597	S	S	*	*				111.7	156.3	119.9	0	0	0	0	0	118.6
680	H	29.6	Very low	33.4	Very low	169 Å²	169	117.1 Å²	117.1	78%	0.782	61%	0.612	S	S	*	*			trans	65.2	92.6	166.5	-55	69	0	0	0	113
681	S	25.2	Very low	32.6	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	64%	0.636	S	S	*	*				57.3	146	51.8	-34.4	0	0	0	0	112.5
682	N	28.9	Very low	32	Very low	125 Å²	125	124.1 Å²	124.1	67%	0.668	65%	0.652	S	S	*	*			trans	87.3	137.3	-160.6	-57.5	-73.3	0	0	0	112.5
683	R	28.9	Very low	31.8	Very low	195 Å²	195	129.7 Å²	129.7	74%	0.736	67%	0.673	S	S	*	*			cis	-165.3	155.1	-1.7	-119.9	166.7	-168.4	-126.7	2	111.2
684	I	32	Very low	31.1	Very low	128 Å²	128	127.9 Å²	127.9	66%	0.656	67%	0.674	S	S	*	*			trans	69.3	136.7	140.1	-75.3	165.4	0	0	0	118.5
685	I	31.3	Very low	30.7	Very low	116 Å²	116	127.5 Å²	127.5	60%	0.595	69%	0.685	S	S	*	*			cis	-161.8	-163.1	-20.9	-143.6	172.8	0	0	0	109.2
686	E	29.7	Very low	30.3	Very low	141 Å²	141	128.5 Å²	128.5	66%	0.659	70%	0.699	S	S	*	*			trans	-19.7	150.5	166	-65.2	114.2	-149.4	0	0	117.8
687	D	32.6	Very low	30.2	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	70%	0.703	S	S	*	*			cis	-143.5	138.8	38.8	-107.9	-47.9	0	0	0	116.1
688	S	32	Very low	29.9	Very low	70 Å²	70	128.3 Å²	128.3	49%	0.49	70%	0.697	S	S	.	*				31.8	145.2	112.7	-41.7	0	0	0	0	120.5
689	H	32.9	Very low	29.8	Very low	160 Å²	160	125.4 Å²	125.4	74%	0.741	69%	0.685	S	S	*	*			cis	-132.3	145.4	15	-90.8	-67.6	0	0	0	110.6
690	H	29.8	Very low	29.8	Very low	160 Å²	160	130 Å²	130	74%	0.741	70%	0.696	S	S	*	*				47.8	137.7	90.1	-63.7	-94.9	0	0	0	113.8
691	Q	30.9	Very low	29.8	Very low	169 Å²	169	130 Å²	130	79%	0.79	70%	0.696	S	S	*	*				-161.9	151.9	53.8	-146.5	163	42.1	0	0	113.4
692	S	29.4	Very low	29.9	Very low	74 Å²	74	130.3 Å²	130.3	52%	0.517	70%	0.698	S	S	.	*			trans	47.8	134	146.3	59.1	0	0	0	0	120.6
693	H	34.6	Very low	29.9	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.745	70%	0.7	S	S	*	*			cis	-140	134.9	34.2	-83.8	-76.9	0	0	0	110.5
694	T	28.2	Very low	29.8	Very low	109 Å²	109	128 Å²	128	67%	0.669	70%	0.7	S	S	*	*				49.7	126.4	76.6	75.7	0	0	0	0	112.4
695	S	30.4	Very low	29.6	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	70%	0.699	S	S	*	*			cis	-150.3	-174.1	21.1	-49.8	0	0	0	0	108.8
696	A	27.8	Very low	29.3	Very low	76 Å²	76	132.2 Å²	132.2	63%	0.628	71%	0.709	S	S	*	*			cis	-154.3	161.6	7	0	0	0	0	0	108.7
697	L	28.4	Very low	29	Very low	159 Å²	159	130.2 Å²	130.2	83%	0.832	71%	0.709	S	S	*	*				47	129.7	97.9	-52.2	176.2	0	0	0	114.4
698	T	28.4	Very low	28.7	Very low	109 Å²	109	130.2 Å²	130.2	67%	0.669	71%	0.714	S	S	*	*			cis	-151.8	159.7	8.7	21.9	0	0	0	0	108.7
699	T	26.4	Very low	28.4	Very low	97 Å²	97	130.6 Å²	130.6	60%	0.595	72%	0.721	S	S	*	*				42.2	125.3	90.5	-5.3	0	0	0	0	111.9
700	D	29.3	Very low	28	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	72%	0.72	S	S	*	*				-137.4	156	52.4	-74.5	-43.6	0	0	0	118.7
701	H	28	Very low	27.9	Very low	169 Å²	169	125.3 Å²	125.3	78%	0.782	72%	0.715	S	S	*	*			trans	-88.2	129.2	161.1	-68.3	-88.6	0	0	0	110.8
702	S	29.2	Very low	27.6	Very low	110 Å²	110	123.4 Å²	123.4	77%	0.769	71%	0.711	S	S	*	*			trans	-141.1	107.1	154.6	-155.1	0	0	0	0	105.3
703	L	27.4	Very low	27.5	Very low	136 Å²	136	125.9 Å²	125.9	71%	0.712	72%	0.718	S	S	*	*			cis	57.4	142.4	35	-94.6	175.6	0	0	0	112.6
704	N	26.9	Very low	27.2	Very low	136 Å²	136	126.8 Å²	126.8	73%	0.727	72%	0.72	S	S	*	*			trans	66.5	136.6	-165.5	-53.8	-41.2	0	0	0	112.3
705	N	28.2	Very low	27.3	Very low	119 Å²	119	132.2 Å²	132.2	64%	0.636	73%	0.73	S	S	*	*			cis	-148.6	150.5	10.7	-109	-17.7	0	0	0	109.3
706	R	25.8	Very low	27.3	Very low	213 Å²	213	131.6 Å²	131.6	80%	0.804	72%	0.723	S	S	*	*				62.1	124	78.9	-142.8	-171.6	-160.8	-168.1	11.9	110.6
707	C	23.7	Very low	27.1	Very low	100 Å²	100	132.6 Å²	132.6	68%	0.676	72%	0.721	S	S	*	*			cis	-177.8	164.9	0.1	-116.9	0	0	0	0	110.9
708	V	25.8	Very low	26.9	Very low	135 Å²	135	133 Å²	133	82%	0.818	72%	0.719	S	S	*	*			trans	64.6	-170.6	143.1	174.2	0	0	0	0	114.4
709	A	25.6	Very low	26.8	Very low	78 Å²	78	134.4 Å²	134.4	65%	0.645	72%	0.718	S	S	*	*			trans	65.3	63.5	173.7	0	0	0	0	0	114.9
710	T	25	Very low	26.7	Very low	116 Å²	116	136.3 Å²	136.3	71%	0.712	72%	0.72	S	S	*	*				70.3	132.6	82.4	66.1	0	0	0	0	116.8
711	S	25.8	Very low	26.5	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	72%	0.715	S	S	*	*			trans	74.5	159.8	147.1	83	0	0	0	0	117.9
712	N	26	Very low	26.4	Very low	130 Å²	130	133 Å²	133	70%	0.695	71%	0.707	S	S	*	*			trans	43.1	128.1	135.3	-59	-10.2	0	0	0	118.3
713	N	26.1	Very low	26.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	70%	0.701	S	S	*	*			cis	-179.2	-173.8	7.8	-119.8	-34.6	0	0	0	107
714	K	28.5	Very low	26.2	Very low	180 Å²	180	134.9 Å²	134.9	78%	0.783	70%	0.7	S	S	*	*			trans	52.1	104.9	138.9	-81.4	-177	177	-171.8	0	118.7
715	Y	31.1	Very low	26.1	Very low	222 Å²	222	133.4 Å²	133.4	87%	0.871	70%	0.701	S	S	*	*				-10.3	134.8	109.7	-83.1	-76.8	0	0	0	113.2
716	P	30.2	Very low	26	Very low	103 Å²	103	132.7 Å²	132.7	67%	0.669	70%	0.701	S	S	*	*				-154.9	176.3	81.2	42.1	-24.4	0	0	0	116.2
717	V	24	Very low	26.1	Very low	97 Å²	97	132.3 Å²	132.3	59%	0.588	70%	0.701	S	S	*	*			trans	66.7	117.5	136.8	156.4	0	0	0	0	115.9	E719	V717-E719 HydrophobicContact CG1-CB 4.42Å; V717-E719 HydrophobicContact CG1-CG 4.24Å
718	Q	23.9	Very low	26.2	Very low	167 Å²	167	132.3 Å²	132.3	78%	0.78	70%	0.7	S	S	*	*				65	159.1	57.6	-167.7	-176.4	-7.8	0	0	110.2
719	E	25.2	Very low	26.3	Very low	139 Å²	139	130.5 Å²	130.5	65%	0.65	69%	0.69	S	S	*	*			trans	66.4	145.6	-179.4	-48.1	-160.2	123.9	0	0	114	V717	V717-E719 HydrophobicContact CG1-CB 4.42Å; V717-E719 HydrophobicContact CG1-CG 4.24Å
720	Q	26	Very low	26.4	Very low	138 Å²	138	133.3 Å²	133.3	65%	0.645	69%	0.69	S	S	*	*			cis	-139.7	139.5	-22.6	-111.1	168.6	43.1	0	0	103.9
721	N	24	Very low	26.7	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	68%	0.679	S	S	*	*				59.2	143.6	88.8	-159.7	7.1	0	0	0	112.3
722	L	27	Very low	26.7	Very low	120 Å²	120	130.7 Å²	130.7	63%	0.628	67%	0.673	S	S	*	*			trans	70.7	138.7	-168	-64	76.2	0	0	0	113.9
723	Q	25.6	Very low	26.9	Very low	138 Å²	138	128.8 Å²	128.8	65%	0.645	68%	0.676	S	S	*	*			cis	-164.9	172.7	-22.1	-125	158.3	17.8	0	0	109.2
724	Q	25.6	Very low	26.9	Very low	148 Å²	148	132.3 Å²	132.3	69%	0.692	68%	0.681	S	S	*	*			trans	50.8	96.7	145.6	-71.8	155.2	18.8	0	0	117.9
725	S	24.8	Very low	26.8	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	67%	0.674	S	S	*	*				63.3	156.7	114.1	71.1	0	0	0	0	117.7
726	T	26.7	Very low	26.5	Very low	104 Å²	104	124.3 Å²	124.3	64%	0.638	67%	0.665	S	S	*	*			cis	-164.3	119.2	49.7	-66.9	0	0	0	0	109.5
727	Y	26.9	Very low	26.3	Very low	205 Å²	205	125.4 Å²	125.4	80%	0.804	67%	0.671	S	S	*	*			trans	68.4	114.8	153	-73.3	-125.8	0	0	0	115.4
728	C	25.9	Very low	26.3	Very low	99 Å²	99	125.1 Å²	125.1	67%	0.669	67%	0.673	S	S	*	*				96.4	143.4	84.9	-74.9	0	0	0	0	110.9
729	T	27.4	Very low	26.3	Very low	98 Å²	98	123.9 Å²	123.9	60%	0.601	67%	0.672	S	S	*	*			cis	-144.4	153.7	3.4	-6.4	0	0	0	0	110.6
730	E	29.1	Very low	26.2	Very low	136 Å²	136	122.2 Å²	122.2	64%	0.636	68%	0.675	S	S	*	*			trans	37.6	142.3	131.8	-75.7	147.2	-146.2	0	0	121.1
731	T	30.1	Very low	26.1	Very low	81 Å²	81	120.6 Å²	120.6	50%	0.497	68%	0.679	S	S	.	*			cis	-155.3	135.3	-26.1	-1.1	0	0	0	0	105.3
732	S	27.5	Very low	26	Very low	73 Å²	73	120.4 Å²	120.4	51%	0.51	68%	0.677	S	S	.	*				51.9	97.3	55.6	175.2	0	0	0	0	114.2
733	A	28.5	Very low	25.9	Very low	91 Å²	91	120.7 Å²	120.7	75%	0.752	68%	0.684	S	S	*	*				-176.3	126.9	129.3	0	0	0	0	0	111.3
734	Y	26.6	Very low	25.9	Very low	200 Å²	200	121 Å²	121	78%	0.784	69%	0.689	S	S	*	*			cis	-138.6	153.4	-27	-100.6	-75.1	0	0	0	109
735	P	27.7	Very low	25.9	Very low	98 Å²	98	117.7 Å²	117.7	64%	0.636	69%	0.687	S	S	*	*			trans	-122.2	-164.8	-170.8	37.5	-18.7	0	0	0	113
736	I	24.6	Very low	25.9	Very low	135 Å²	135	117.5 Å²	117.5	69%	0.692	68%	0.681	S	S	*	*			trans	69.5	101	161.8	-54.1	158.2	0	0	0	116.2
737	T	25.1	Very low	25.9	Very low	127 Å²	127	120.1 Å²	120.1	78%	0.779	69%	0.692	S	S	*	*				-165.9	126.9	108.7	19.7	0	0	0	0	107.1
738	S	24.2	Very low	26	Very low	90 Å²	90	113.9 Å²	113.9	63%	0.629	69%	0.69	S	S	*	*			cis	67.5	61.3	34.8	-42.4	0	0	0	0	113.3
739	N	23.3	Very low	26	Very low	142 Å²	142	113.6 Å²	113.6	76%	0.759	69%	0.689	S	S	*	*			trans	-168.7	123	150.1	-90.3	-27	0	0	0	107
740	S	22.9	Very low	26	Very low	104 Å²	104	117 Å²	117	73%	0.727	70%	0.695	S	S	*	*			cis	62.1	138.6	24.3	-56.9	0	0	0	0	115
741	S	23.8	Very low	25.9	Very low	103 Å²	103	119.9 Å²	119.9	72%	0.72	70%	0.701	S	S	*	*			trans	67.6	110	-179.4	71	0	0	0	0	117.8
742	L	22.1	Very low	25.8	Very low	131 Å²	131	120.5 Å²	120.5	69%	0.686	70%	0.704	S	S	*	*			trans	-64.8	122.4	144.2	169.5	144.9	0	0	0	108.5	T781	L742-T781 HydrophobicContact CD1-CG2 3.79Å; L742-T781 WeakPolarHBondContact CD1-OG1 3.5Å
743	T	25.6	Very low	25.9	Very low	126 Å²	126	123.8 Å²	123.8	77%	0.773	72%	0.716	S	S	*	*			trans	-164.1	153	163.7	-75.1	0	0	0	0	109.8
744	I	24.6	Very low	26	Very low	144 Å²	144	123.7 Å²	123.7	74%	0.738	71%	0.71	S	S	*	*			trans	-110.1	139.3	-171.9	-72.1	168.3	0	0	0	111.7
745	A	25.7	Very low	26.2	Very low	80 Å²	80	121.4 Å²	121.4	66%	0.661	71%	0.711	S	S	*	*			trans	80.9	135.2	152.7	0	0	0	0	0	123.6
746	T	26.6	Very low	26.3	Very low	100 Å²	100	121.5 Å²	121.5	61%	0.613	71%	0.714	S	S	*	*			trans	73.1	98.9	140.9	46.7	0	0	0	0	122.1
747	D	25.8	Very low	26.5	Very low	160 Å²	160	121.2 Å²	121.2	86%	0.856	72%	0.723	S	S	*	*				64.9	129.5	102.3	-161.9	14	0	0	0	119.5
748	G	28.1	Very low	26.8	Very low	74 Å²	74	119.3 Å²	119.3	76%	0.763	73%	0.728	S	S	*	*			trans	177.1	41.6	-170.7	0	0	0	0	0	115.9
749	S	27.8	Very low	27	Very low	93 Å²	93	118.4 Å²	118.4	65%	0.65	73%	0.733	S	S	*	*			trans	-58.6	146.1	177.9	174.5	0	0	0	0	114.2
750	F	27.2	Very low	27.2	Very low	168 Å²	168	119.1 Å²	119.1	74%	0.737	74%	0.737	S	S	*	*			trans	-157.6	124.1	140.1	-89.5	-49.8	0	0	0	114.9
751	R	26.9	Very low	27.5	Very low	198 Å²	198	119.8 Å²	119.8	75%	0.747	74%	0.741	S	S	*	*			trans	76.2	141.3	140.1	-64.6	177.3	177.6	-86.3	-2.9	118.1
752	T	28.3	Very low	27.5	Very low	94 Å²	94	119.4 Å²	119.4	58%	0.577	74%	0.739	S	S	*	*			cis	-156	155.9	3.5	-3.1	0	0	0	0	112.4
753	D	29.3	Very low	27.8	Very low	142 Å²	142	117.9 Å²	117.9	76%	0.759	74%	0.739	S	S	*	*			trans	66.6	138.9	150.3	-55.8	-26.7	0	0	0	119.3
754	S	30.6	Very low	27.8	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	74%	0.737	S	S	*	*			cis	-162	144.8	0.4	-109.9	0	0	0	0	112.8
755	N	29.8	Very low	28	Very low	153 Å²	153	122.1 Å²	122.1	82%	0.818	74%	0.74	S	S	*	*			trans	61	145.8	150.1	-60.1	-24.6	0	0	0	120.2
756	S	31	Very low	28	Very low	99 Å²	99	122.1 Å²	122.1	69%	0.692	74%	0.74	S	S	*	*			cis	-163.7	155.3	-4.1	47.9	0	0	0	0	112
757	C	29	Very low	28	Very low	129 Å²	129	124.8 Å²	124.8	87%	0.872	75%	0.75	S	S	*	*			trans	29.9	122	151.8	-51.3	0	0	0	0	119.2
758	G	30	Very low	28	Very low	87 Å²	87	122 Å²	122	90%	0.897	74%	0.735	S	S	*	*			cis	104.3	147.9	44.1	0	0	0	0	0	110.4
759	G	29.2	Very low	27.9	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	74%	0.737	S	S	*	*			cis	172.5	165.4	-7.2	0	0	0	0	0	113
760	N	27.3	Very low	27.9	Very low	158 Å²	158	132.1 Å²	132.1	85%	0.845	75%	0.748	S	S	*	*			trans	63.9	146.3	161.7	-61.4	-1.8	0	0	0	122.5
761	S	28.1	Very low	27.9	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	75%	0.745	S	S	*	*			trans	83.4	148.9	159.3	-33.3	0	0	0	0	116.8
762	S	25.4	Very low	27.7	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	75%	0.752	S	S	*	*			cis	-175.2	151.4	-19.9	169.5	0	0	0	0	108.9
763	S	27.4	Very low	27.6	Very low	98 Å²	98	130.4 Å²	130.4	69%	0.685	77%	0.769	S	S	*	*			trans	62.4	155.2	159.4	36.6	0	0	0	0	117.8
764	Q	26.6	Very low	27.3	Very low	157 Å²	157	127.5 Å²	127.5	73%	0.734	77%	0.765	S	S	*	*			cis	-164.5	164.1	-14.2	-115.8	172.9	-20.1	0	0	109.7
765	Y	27.3	Very low	27	Very low	203 Å²	203	129.5 Å²	129.5	80%	0.796	77%	0.773	S	S	*	*			trans	70.9	117.1	162.4	-74.4	-68.4	0	0	0	122.3
766	A	25.7	Very low	26.7	Very low	80 Å²	80	128.2 Å²	128.2	66%	0.661	77%	0.771	S	S	*	*				86.6	121.6	127.2	0	0	0	0	0	122.8
767	D	26.5	Very low	26.4	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	78%	0.777	S	S	*	*			trans	80.3	150.3	141.2	-61.8	-33.7	0	0	0	124.9
768	D	27.4	Very low	26.2	Very low	102 Å²	102	135.3 Å²	135.3	55%	0.545	78%	0.778	S	S	.	*			trans	69.1	113.1	171.5	-84.7	-38.7	0	0	0	123.6
769	R	25.7	Very low	25.8	Very low	210 Å²	210	137.6 Å²	137.6	79%	0.792	78%	0.779	S	S	*	*			trans	53.7	106	130.7	-64.4	168.1	-160	-144.3	1.2	121
770	L	27.9	Very low	25.6	Very low	169 Å²	169	138 Å²	138	89%	0.885	78%	0.775	S	S	*	*			trans	-127.2	120.2	137	-65.5	171.8	0	0	0	107.1
771	S	26.4	Very low	25.5	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	77%	0.768	S	S	*	*				72.1	117.4	61.7	-63.8	0	0	0	0	112.3	M773	S771-M773 PolarHBondContact O-N 3.31Å
772	P	23.1	Very low	25.4	Very low	140 Å²	140	135 Å²	135	91%	0.909	77%	0.768	S	S	*	*			trans	-78.5	113.8	-168.5	30.6	-34.5	0	0	0	111.9
773	M	25.2	Very low	25.4	Very low	189 Å²	189	135.2 Å²	135.2	93%	0.931	77%	0.769	S	S	*	*			trans	-90.7	116.5	176.6	-138	173.9	78.1	0	0	110.9	S771	S771-M773 PolarHBondContact O-N 3.31Å
774	A	23.9	Very low	25.4	Very low	81 Å²	81	136.9 Å²	136.9	67%	0.669	78%	0.778	S	S	*	*			trans	-81.1	-169.7	170.2	0	0	0	0	0	111.3
775	V	25.2	Very low	25.6	Very low	130 Å²	130	136.1 Å²	136.1	79%	0.788	78%	0.783	S	S	*	*			trans	85.7	89.1	168.6	-168.3	0	0	0	0	116.4
776	T	23.7	Very low	25.7	Very low	127 Å²	127	129.9 Å²	129.9	78%	0.779	78%	0.781	S	S	*	*				60.8	148.8	119.5	-38.1	0	0	0	0	121.2
777	Q	24.1	Very low	25.7	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	78%	0.779	S	S	*	*			trans	76	99.6	172.7	-56.8	-166.7	-43.5	0	0	117.3
778	F	23.9	Very low	25.8	Very low	202 Å²	202	131 Å²	131	89%	0.886	77%	0.771	S	S	*	*			trans	-139.5	97.9	133.8	-110	-75.7	0	0	0	110.8	A780	F778-A780 HydrophobicContact CD1-CB 4.11Å
779	C	22.3	Very low	25.9	Very low	136 Å²	136	131.2 Å²	131.2	92%	0.919	77%	0.769	S	S	*	*			trans	-90.1	111.1	155.5	-71.9	0	0	0	0	107.3
780	A	24.7	Very low	25.9	Very low	79 Å²	79	131.2 Å²	131.2	65%	0.653	77%	0.769	S	S	*	*			trans	-152.1	115.4	170	0	0	0	0	0	111.9	F778	F778-A780 HydrophobicContact CD1-CB 4.11Å
781	T	24.8	Very low	26.2	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.693	76%	0.76	S	S	*	*			trans	-68.1	135.4	165.4	48.8	0	0	0	0	111	L742	L742-T781 HydrophobicContact CD1-CG2 3.79Å; L742-T781 WeakPolarHBondContact CD1-OG1 3.5Å
782	A	27	Very low	26.4	Very low	99 Å²	99	129.9 Å²	129.9	82%	0.818	77%	0.768	S	S	*	*			trans	-139.4	135.1	169.8	0	0	0	0	0	111.6
783	S	25.6	Very low	26.7	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	77%	0.769	S	S	*	*			trans	-104.1	162.3	177.9	-62.7	0	0	0	0	111.3
784	P	27.7	Very low	26.7	Very low	132 Å²	132	132.5 Å²	132.5	86%	0.857	76%	0.76	S	S	*	*			trans	-66.3	165.2	176.5	26.8	-35	0	0	0	114.2
785	V	29.1	Very low	27	Very low	141 Å²	141	133.5 Å²	133.5	86%	0.855	76%	0.76	S	S	*	*			trans	-82.4	150.2	-160.7	177.5	0	0	0	0	114.6
786	G	29.2	Very low	27.1	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	76%	0.755	S	S	*	*			trans	-149.7	13.9	-174.2	0	0	0	0	0	120.1
787	S	27.1	Very low	27.1	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	75%	0.752	S	S	*	*			trans	65.3	109.4	149.5	-55.6	0	0	0	0	124.3
788	Y	28.2	Very low	27.4	Very low	170 Å²	170	130.4 Å²	130.4	67%	0.667	76%	0.755	S	S	*	*			trans	87.5	159.2	141.4	-58.1	-59.6	0	0	0	124.4	N1146 T1147	Y788-N1146 WeakPolarHBondContact CB-OD1 3.36Å; Y788-T1147 WeakPolarHBondContact O-CG2 3.37Å
789	Q	28.3	Very low	27.5	Very low	107 Å²	107	125 Å²	125	50%	0.5	75%	0.747	S	S	.	*			trans	-123.2	146.7	-135.5	14.3	66.7	-100.9	0	0	121.6	N1146	Q789-N1146 PolarHBondContact N-ND2 3.05Å; Q789-N1146 PolarHBondContact N-OD1 2.84Å; Q789-N1146 WeakPolarHBondContact O-CB 3.39Å; Q789-N1146 PolarHBondContact O-ND2 2.75Å; Q789-N1146 PolarHBondContact OE1-ND2 2.93Å
790	R	27.6	Very low	27.9	Very low	210 Å²	210	123.9 Å²	123.9	79%	0.792	74%	0.739	S	S	*	*			trans	87.6	156.2	147.7	-76.6	-178.8	177.4	-151.7	-3.8	121.4	T1147	R790-T1147 VanDerWaalsContact N-CG2 3.31Å; R790-T1147 PolarHBondContact N-OG1 3.02Å; R790-T1147 PolarHBondContact O-OG1 2.7Å
791	P	33.4	Very low	28	Very low	108 Å²	108	127.1 Å²	127.1	70%	0.701	74%	0.743	S	S	*	*			trans	-130.6	-166.8	-135	47.2	-34.3	0	0	0	115.4
792	P	29.6	Very low	28.3	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	75%	0.748	S	S	*	*			trans	-128.7	179.9	142.3	38.9	-27.8	0	0	0	114.7
793	R	30.2	Very low	28.3	Very low	242 Å²	242	135.4 Å²	135.4	91%	0.913	75%	0.75	S	S	*	*			trans	-88.8	158	-168.7	-62	167.8	172.1	144.9	-5.3	114.1
794	N	24.9	Very low	28.6	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	75%	0.75	S	S	*	*			trans	-40.9	159.6	148.3	-132.7	7.3	0	0	0	112
795	P	30.7	Very low	28.9	Very low	101 Å²	101	134.8 Å²	134.8	66%	0.656	74%	0.743	S	S	*	*			cis	-143.1	-167.5	14.5	41.8	-20.6	0	0	0	116.7
796	S	26.1	Very low	28.9	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	74%	0.741	S	S	*	*			trans	80	103	149.4	-61.6	0	0	0	0	120.3
797	S	25.6	Very low	29.1	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	74%	0.739	S	S	*	*				70.8	163.4	124.1	76.6	0	0	0	0	121.1
798	L	29.2	Very low	29.1	Very low	164 Å²	164	135.9 Å²	135.9	86%	0.859	75%	0.746	S	S	*	*			trans	64.9	81.9	164.8	-60.5	172	0	0	0	117.5
799	A	27.2	Very low	29.2	Very low	89 Å²	89	133 Å²	133	74%	0.736	75%	0.748	S	S	*	*			trans	-61.2	-179.8	141	0	0	0	0	0	111.6
800	P	30.1	Very low	29	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	75%	0.753	S	S	*	*			cis	-121.9	-118.7	-9.1	35.8	-16.4	0	0	0	110.2
801	I	26.8	Very low	28.9	Very low	146 Å²	146	132.4 Å²	132.4	75%	0.749	75%	0.751	S	S	*	*			trans	74.3	132.2	168.4	-64.8	162.1	0	0	0	114.9
802	Q	29.9	Very low	28.4	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.804	75%	0.754	S	S	*	*			cis	-161.8	145.3	-16.3	-175.3	168.5	-33.3	0	0	110.9
803	Y	27	Very low	28.2	Very low	215 Å²	215	130 Å²	130	84%	0.843	74%	0.744	S	S	*	*			trans	-56.8	-177.9	164.9	-77.7	-79.5	0	0	0	114.1
804	P	33.2	Very low	28	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	74%	0.744	S	S	*	*			cis	-127.6	-119.9	-33	29.4	-4.7	0	0	0	107.7
805	P	33.1	Very low	28	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	75%	0.747	S	S	*	*			cis	-130.9	-162.6	-37.8	32.9	-10.8	0	0	0	114.4
806	A	30	Very low	27.8	Very low	97 Å²	97	129.6 Å²	129.6	80%	0.802	75%	0.75	S	S	*	*			trans	80.7	136.6	163.3	0	0	0	0	0	116.5
807	S	33.3	Very low	27.6	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	75%	0.747	S	S	*	*			cis	-151.8	138.1	-7.1	51.4	0	0	0	0	108.1
808	V	26.8	Very low	27.6	Very low	124 Å²	124	131.4 Å²	131.4	75%	0.752	75%	0.75	S	S	*	*				48.5	126.4	74.8	-172	0	0	0	0	111.3
809	P	29.9	Very low	27.5	Very low	109 Å²	109	128.9 Å²	128.9	71%	0.708	75%	0.746	S	S	*	*			cis	-115.3	172.8	18.3	46.7	-36.6	0	0	0	112.6
810	N	24.4	Very low	27.5	Very low	114 Å²	114	136.3 Å²	136.3	61%	0.61	76%	0.755	S	S	*	*			cis	78.5	152.4	19.3	-152.7	2.7	0	0	0	115.8
811	Y	24.8	Very low	27.4	Very low	191 Å²	191	134.5 Å²	134.5	75%	0.749	76%	0.757	S	S	*	*			trans	65.1	125.4	-178.7	-55.1	-75.2	0	0	0	115.2
812	S	24.1	Very low	27.4	Very low	109 Å²	109	131 Å²	131	76%	0.762	76%	0.757	S	S	*	*			cis	81.6	172.4	47.3	-165.7	0	0	0	0	112.6
813	A	25.4	Very low	27.3	Very low	77 Å²	77	128.9 Å²	128.9	64%	0.636	76%	0.758	S	S	*	*			trans	69	107.9	-154.7	0	0	0	0	0	111.4
814	R	24.8	Very low	27.3	Very low	239 Å²	239	125.3 Å²	125.3	90%	0.902	75%	0.754	S	S	*	*				77.9	156.1	71.8	-79.4	175.8	165	-163.9	-2.9	112
815	S	25	Very low	27.1	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	76%	0.755	S	S	*	*			trans	69.5	147	169.5	-73.6	0	0	0	0	115.9
816	V	26.5	Very low	26.8	Very low	120 Å²	120	128.1 Å²	128.1	73%	0.727	76%	0.757	S	S	*	*			cis	-153.1	155.9	-29.4	102	0	0	0	0	108.5
817	C	23.4	Very low	26.7	Very low	92 Å²	92	129.1 Å²	129.1	62%	0.622	75%	0.753	S	S	*	*			trans	-24.5	152.8	168.9	-44.8	0	0	0	0	118.6
818	N	24.5	Very low	26.4	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	75%	0.753	S	S	*	*			trans	75.4	157.6	160	-37.7	-40.9	0	0	0	114.2
819	S	27.8	Very low	26.5	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	75%	0.753	S	S	*	*			cis	-141.3	167.6	7.6	-44.1	0	0	0	0	109.1
820	R	26.4	Very low	26.6	Very low	244 Å²	244	131 Å²	131	92%	0.921	75%	0.754	S	S	*	*			cis	-164.5	127.5	21.7	-164.8	-179.5	-172.2	-175.8	2.3	111.7
821	G	28.2	Very low	26.7	Very low	75 Å²	75	132 Å²	132	77%	0.773	76%	0.759	S	S	*	*			trans	75.5	145	170.3	0	0	0	0	0	115.1
822	G	28.1	Very low	26.8	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	76%	0.757	S	S	*	*			cis	78.6	143.3	5.1	0	0	0	0	0	113.3
823	P	27.4	Very low	26.9	Very low	128 Å²	128	130.4 Å²	130.4	83%	0.831	76%	0.755	S	S	*	*			cis	-98.4	177	19.1	39.1	-37.3	0	0	0	115.1
824	D	27	Very low	26.9	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	76%	0.763	S	S	*	*			trans	-75.2	172.9	179.2	-46.2	-97.3	0	0	0	114.6
825	N	27.5	Very low	27.1	Very low	139 Å²	139	129 Å²	129	74%	0.743	76%	0.76	S	S	*	*			trans	77.9	110.7	152	-63.2	-42.4	0	0	0	120.8
826	N	27.1	Very low	27.1	Very low	141 Å²	141	134.3 Å²	134.3	75%	0.754	76%	0.762	S	S	*	*				94.1	142.3	126.1	-75.8	-23.2	0	0	0	122.8
827	T	27.7	Very low	27	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	76%	0.764	S	S	*	*			trans	72.4	86.7	149.1	40.6	0	0	0	0	120.5
828	T	28.3	Very low	27.3	Very low	118 Å²	118	135.8 Å²	135.8	72%	0.724	77%	0.772	S	S	*	*				75.5	136.4	121.7	41.8	0	0	0	0	123.1
829	T	29.3	Very low	27.3	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	78%	0.777	S	S	*	*			trans	80.6	144.8	144.4	45.4	0	0	0	0	122.1
830	N	30.3	Very low	27.4	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	77%	0.774	S	S	*	*			trans	75.1	92.9	160.5	-66.2	-14.5	0	0	0	120
831	N	27	Very low	27.5	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	77%	0.772	S	S	*	*				54.4	116.9	116.5	-67.6	7	0	0	0	120.9
832	N	27	Very low	27.4	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	76%	0.761	S	S	*	*			trans	91.5	124.2	131.7	-63.9	2.1	0	0	0	120.5
833	N	26.6	Very low	27.3	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	76%	0.762	S	S	*	*			trans	87.2	111.5	149.1	-57.3	-12.9	0	0	0	119.4
834	N	25.2	Very low	27.3	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	75%	0.754	S	S	*	*			trans	61	122	150.2	-52.7	-22.7	0	0	0	116.7
835	V	28.1	Very low	27.2	Very low	137 Å²	137	132 Å²	132	83%	0.83	76%	0.756	S	S	*	*				-161.7	160.7	69.4	154.3	0	0	0	0	112
836	R	24.8	Very low	27.1	Very low	228 Å²	228	132.7 Å²	132.7	86%	0.86	76%	0.76	S	S	*	*			trans	-32.8	156.2	178.9	-61.4	177.1	166.5	-175.9	-5.6	121.5
837	S	25.5	Very low	27	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	76%	0.758	S	S	*	*			trans	103.3	152.1	130.9	-82.7	0	0	0	0	121.5
838	V	28.6	Very low	27	Very low	132 Å²	132	134.2 Å²	134.2	80%	0.8	77%	0.771	S	S	*	*			trans	77.7	95.3	-179.9	-165.1	0	0	0	0	113.7
839	E	26.4	Very low	26.9	Very low	192 Å²	192	133.9 Å²	133.9	90%	0.897	77%	0.773	S	S	*	*			cis	103.4	133.9	32.4	-169.7	169.9	-125.8	0	0	112.7
840	G	28.8	Very low	26.9	Very low	68 Å²	68	133 Å²	133	70%	0.701	78%	0.778	S	S	*	*			trans	99.2	126.6	-173.1	0	0	0	0	0	113.1
841	I	28.7	Very low	26.8	Very low	171 Å²	171	129.6 Å²	129.6	88%	0.877	78%	0.775	S	S	*	*			cis	-135.3	140.4	-1.1	-64.8	176.8	0	0	0	108.8
842	A	25.8	Very low	27	Very low	66 Å²	66	132.9 Å²	132.9	55%	0.545	79%	0.786	S	S	.	*			trans	-76.4	159.2	178.8	0	0	0	0	0	112.1	L844	A842-L844 HydrophobicContact CB-CD1 4.12Å; A842-L844 HydrophobicContact CB-CG 4.16Å
843	P	25.6	Very low	27.1	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	80%	0.795	S	S	*	*				-105	141.3	69.2	34.9	-37.9	0	0	0	112.9
844	L	27.1	Very low	27.1	Very low	129 Å²	129	129.7 Å²	129.7	68%	0.675	80%	0.795	S	S	*	*				56.6	78.7	63.2	-68	148.5	0	0	0	109.1	A842	A842-L844 HydrophobicContact CB-CD1 4.12Å; A842-L844 HydrophobicContact CB-CG 4.16Å
845	A	25	Very low	27.4	Very low	94 Å²	94	127.7 Å²	127.7	78%	0.777	79%	0.791	S	S	*	*			cis	45.7	81.3	47.1	0	0	0	0	0	110.9
846	N	26.1	Very low	27.4	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	79%	0.792	S	S	*	*			trans	-141.5	131.4	163.1	-103.8	-19.9	0	0	0	108.6
847	S	24.7	Very low	27.5	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	79%	0.786	S	S	*	*			trans	-74.9	141.9	179.2	-51.6	0	0	0	0	110.9	S849	S847-S849 PolarHBondContact O-N 3.46Å
848	L	28	Very low	27.9	Very low	189 Å²	189	124.2 Å²	124.2	99%	0.99	79%	0.789	S	S	*	*	S	Bend	trans	-82.9	66.4	158.7	-70.6	-179.4	0	0	0	110
849	S	27.2	Very low	27.9	Very low	111 Å²	111	123.8 Å²	123.8	78%	0.776	78%	0.782	S	S	*	*			trans	-145	76.2	166.8	-170.2	0	0	0	0	109	S847	S847-S849 PolarHBondContact O-N 3.46Å
850	A	28.2	Very low	28.1	Very low	102 Å²	102	122 Å²	122	84%	0.843	77%	0.774	S	S	*	*			trans	176.1	153.5	167.6	0	0	0	0	0	106.8
851	G	27.8	Very low	28.3	Very low	66 Å²	66	125 Å²	125	68%	0.68	78%	0.778	S	S	*	*			trans	179.1	-50.6	172.9	0	0	0	0	0	118.5
852	H	31.2	Very low	28.3	Very low	204 Å²	204	123 Å²	123	94%	0.944	78%	0.776	S	S	*	*			trans	-118.6	100.9	-178.4	-73.7	-40.5	0	0	0	111.8
853	S	29	Very low	28.3	Very low	129 Å²	129	123.3 Å²	123.3	90%	0.902	79%	0.787	S	S	*	*			trans	-93.1	133	-179.8	-49.9	0	0	0	0	111.1
854	G	27.3	Very low	28.4	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	79%	0.791	S	S	*	*			trans	-155.4	133.7	168.7	0	0	0	0	0	108.7
855	P	30.8	Very low	28.4	Very low	109 Å²	109	123 Å²	123	71%	0.708	79%	0.793	S	S	*	*			trans	-121.1	154.4	-139.3	39.3	-27.9	0	0	0	116.6
856	N	29.4	Very low	28.4	Very low	158 Å²	158	129 Å²	129	85%	0.845	80%	0.797	S	S	*	*			trans	160.9	104.3	143.1	-81.3	-17.1	0	0	0	106.5
857	S	27.3	Very low	28.8	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	79%	0.792	S	S	*	*			cis	71.5	77.8	32.4	-47	0	0	0	0	115.4
858	V	33.5	Very low	28.9	Very low	139 Å²	139	124.3 Å²	124.3	84%	0.842	79%	0.787	S	S	*	*			trans	-162.6	111.5	130.6	179.5	0	0	0	0	104.4
859	D	28.5	Very low	28.8	Very low	122 Å²	122	121.7 Å²	121.7	65%	0.652	78%	0.775	S	S	*	*			cis	88.3	132.8	36.4	-162.5	35.1	0	0	0	114.4
860	Q	29.8	Very low	29	Very low	155 Å²	155	121.5 Å²	121.5	72%	0.724	77%	0.773	S	S	*	*			trans	65	143.9	179.2	-63	155.8	64	0	0	116
861	T	32.8	Very low	29.1	Very low	130 Å²	130	122.1 Å²	122.1	80%	0.798	77%	0.766	S	S	*	*			cis	-153	160.4	4.9	0.2	0	0	0	0	110.1
862	P	29.8	Very low	29.2	Very low	129 Å²	129	122.9 Å²	122.9	84%	0.838	77%	0.766	S	S	*	*			trans	-104.5	141.6	-172.3	36.9	-30.6	0	0	0	116.1
863	G	26.2	Very low	29.3	Very low	74 Å²	74	119 Å²	119	76%	0.763	76%	0.756	S	S	*	*			trans	125.3	141.2	151.6	0	0	0	0	0	117
864	S	26.2	Very low	29.5	Very low	123 Å²	123	117.6 Å²	117.6	86%	0.86	75%	0.745	S	S	*	*			trans	66.2	153	169.5	-77.8	0	0	0	0	117.8
865	V	26.9	Very low	29.5	Very low	118 Å²	118	122 Å²	122	72%	0.715	75%	0.746	S	S	*	*			cis	-163.8	153	-29.2	87.8	0	0	0	0	109
866	Y	26.4	Very low	29.5	Very low	218 Å²	218	120.3 Å²	120.3	86%	0.855	75%	0.749	S	S	*	*			trans	67	159	172.3	-85	-118.2	0	0	0	117.9
867	G	32.9	Very low	29.3	Very low	69 Å²	69	120 Å²	120	71%	0.711	74%	0.744	S	S	*	*			trans	110.2	88.1	-170.9	0	0	0	0	0	110.5
868	S	27.5	Very low	29.3	Very low	89 Å²	89	124.6 Å²	124.6	62%	0.622	75%	0.747	S	S	*	*			cis	58.6	126.2	25.2	-73.2	0	0	0	0	113.3
869	D	27	Very low	29	Very low	135 Å²	135	122.4 Å²	122.4	72%	0.722	74%	0.743	S	S	*	*			cis	-166.2	-173	-1.1	-119.6	-57.7	0	0	0	109.3
870	S	30.1	Very low	29	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	75%	0.745	S	S	*	*			trans	74.9	152.9	157.1	-58.2	0	0	0	0	117.7
871	V	31.4	Very low	28.8	Very low	114 Å²	114	122.9 Å²	122.9	69%	0.691	75%	0.752	S	S	*	*			cis	-153.4	134.2	-11.6	119.9	0	0	0	0	105.7
872	A	29.8	Very low	28.6	Very low	82 Å²	82	121.8 Å²	121.8	68%	0.678	76%	0.756	S	S	*	*				58.1	161.6	82.3	0	0	0	0	0	113.5
873	T	32.5	Very low	28.4	Very low	122 Å²	122	118.5 Å²	118.5	75%	0.748	75%	0.746	S	S	*	*			cis	-162.1	-168.2	21.8	-5.5	0	0	0	0	106.6
874	P	33.5	Very low	28.6	Very low	101 Å²	101	121.2 Å²	121.2	66%	0.656	75%	0.748	S	S	*	*			cis	-117.3	-152.8	-5.5	41.1	-22.2	0	0	0	110.3
875	Q	27.4	Very low	28.8	Very low	162 Å²	162	121.4 Å²	121.4	76%	0.757	74%	0.744	S	S	*	*			cis	-152.9	170.3	-4.1	-156.5	138.2	-61.8	0	0	109.7
876	G	30	Very low	28.7	Very low	73 Å²	73	121 Å²	121	75%	0.753	75%	0.746	S	S	*	*			trans	137	92.8	164.7	0	0	0	0	0	114.4
877	M	25.6	Very low	29	Very low	151 Å²	151	116 Å²	116	74%	0.744	74%	0.741	S	S	*	*			trans	-85.9	158.5	178.5	-59.1	-155.8	-61.6	0	0	110.9
878	Y	27.9	Very low	28.8	Very low	204 Å²	204	119.9 Å²	119.9	80%	0.8	74%	0.744	S	S	*	*				-167.6	156.5	63.7	-99.9	-89.3	0	0	0	113.1
879	A	27.4	Very low	28.8	Very low	93 Å²	93	123.5 Å²	123.5	77%	0.769	75%	0.751	S	S	*	*			trans	46.6	142.3	142.4	0	0	0	0	0	120.6
880	S	27.5	Very low	28.9	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	75%	0.753	S	S	*	*			cis	-160.3	128.5	11.4	51.3	0	0	0	0	109.3
881	Q	26.5	Very low	28.7	Very low	187 Å²	187	122 Å²	122	87%	0.874	75%	0.75	S	S	*	*				98.2	145.7	90.8	-79.2	-163.7	1.2	0	0	116.1
882	A	27.4	Very low	28.5	Very low	106 Å²	106	123 Å²	123	88%	0.876	75%	0.752	S	S	*	*			trans	71.7	143.1	155.3	0	0	0	0	0	120.2
883	G	27.1	Very low	28.3	Very low	61 Å²	61	125.7 Å²	125.7	63%	0.629	76%	0.755	S	S	*	*			trans	114.5	55.6	172.7	0	0	0	0	0	115.6
884	T	29	Very low	28.4	Very low	131 Å²	131	125.2 Å²	125.2	80%	0.804	76%	0.757	S	S	*	*				43	127	94.5	65	0	0	0	0	114.7
885	V	30.4	Very low	28	Very low	127 Å²	127	127.7 Å²	127.7	77%	0.77	76%	0.763	S	S	*	*			cis	-148.9	128.1	9.7	-106.8	0	0	0	0	107
886	S	25.5	Very low	28.1	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	76%	0.764	S	S	*	*				77.8	143.8	84.8	-61.1	0	0	0	0	115
887	P	33.8	Very low	27.8	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	76%	0.761	S	S	*	*			trans	-93.5	-178.5	-169	40.4	-38.8	0	0	0	112.7
888	L	27.1	Very low	28.1	Very low	150 Å²	150	124 Å²	124	79%	0.785	76%	0.761	S	S	*	*			trans	-159.2	116.1	146.6	-90.1	132.8	0	0	0	106.3
889	Q	28.1	Very low	27.9	Very low	165 Å²	165	122.7 Å²	122.7	77%	0.771	76%	0.763	S	S	*	*				87	163.7	78.6	-84.3	-164.1	3.3	0	0	114.5
890	V	28.8	Very low	28	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	77%	0.765	S	S	*	*			trans	70	81.8	175.5	-161.7	0	0	0	0	113.5
891	A	26.2	Very low	28.1	Very low	83 Å²	83	128.6 Å²	128.6	69%	0.686	77%	0.767	S	S	*	*			cis	76.6	163.7	30	0	0	0	0	0	116.3
892	N	26.4	Very low	27.9	Very low	135 Å²	135	124.8 Å²	124.8	72%	0.722	76%	0.761	S	S	*	*			trans	82.8	122.1	160.1	-71.4	0.1	0	0	0	121.5
893	N	27.2	Very low	27.9	Very low	139 Å²	139	126 Å²	126	74%	0.743	76%	0.76	S	S	*	*			trans	77.5	144.9	138.5	-54.6	-11.9	0	0	0	117.9
894	S	33.6	Very low	27.7	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	77%	0.77	S	S	*	*			cis	-146.4	151.3	23.8	-36.4	0	0	0	0	114.6
895	L	26	Very low	27.5	Very low	152 Å²	152	128.5 Å²	128.5	80%	0.796	76%	0.764	S	S	*	*			trans	-62.9	153.1	152.5	-71.1	88.4	0	0	0	109.3
896	P	29.5	Very low	27.2	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	77%	0.767	S	S	*	*				-128.2	163	57.9	19.4	4.4	0	0	0	114.4
897	A	23.8	Very low	27.2	Very low	84 Å²	84	127 Å²	127	69%	0.694	77%	0.773	S	S	*	*			cis	76.5	56	29	0	0	0	0	0	115.8
898	S	30.5	Very low	26.8	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	77%	0.771	S	S	*	*			trans	-134.4	108.5	155	55.3	0	0	0	0	108
899	Q	24.8	Very low	26.8	Very low	177 Å²	177	125 Å²	125	83%	0.827	77%	0.772	S	S	*	*				47.3	92.2	79.8	-63.5	-170.3	3	0	0	113
900	L	28.4	Very low	26.7	Very low	155 Å²	155	124.5 Å²	124.5	81%	0.812	77%	0.77	S	S	*	*				-150.5	109	124.9	-78.3	-166.6	0	0	0	109.9
901	H	29.1	Very low	26.5	Very low	162 Å²	162	122.1 Å²	122.1	75%	0.75	76%	0.759	S	S	*	*			trans	37.6	101.6	143.2	-52.4	98.8	0	0	0	119.6
902	S	24.1	Very low	26.6	Very low	107 Å²	107	125.4 Å²	125.4	75%	0.748	76%	0.76	S	S	*	*			trans	-57.3	146	135.6	41.6	0	0	0	0	110.9	L904	S902-L904 PolarHBondContact O-N 3.27Å
903	P	25.5	Very low	26.7	Very low	131 Å²	131	126.7 Å²	126.7	85%	0.851	76%	0.761	S	S	*	*			trans	-81.7	100.2	158.4	31.8	-29.1	0	0	0	109.1
904	L	24.4	Very low	26.6	Very low	162 Å²	162	124.7 Å²	124.7	85%	0.848	76%	0.756	S	S	*	*			trans	-88.8	149.4	137.9	-172.8	68.2	0	0	0	107.5	S902	S902-L904 PolarHBondContact O-N 3.27Å
905	A	23.9	Very low	26.2	Very low	82 Å²	82	125.4 Å²	125.4	68%	0.678	76%	0.755	S	S	*	*			trans	83.5	144.4	159.3	0	0	0	0	0	120.4
906	S	25	Very low	26.3	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	75%	0.751	S	S	*	*			trans	85.4	84.8	143.6	-59.8	0	0	0	0	120.7
907	G	25	Very low	26	Very low	85 Å²	85	121.9 Å²	121.9	88%	0.876	74%	0.744	S	S	*	*			trans	86.7	144.8	144.1	0	0	0	0	0	116.4
908	G	25.4	Very low	26	Very low	69 Å²	69	122.2 Å²	122.2	71%	0.711	74%	0.741	S	S	*	*			cis	163.9	147.8	-8.4	0	0	0	0	0	112.3
909	L	27.4	Very low	25.7	Very low	154 Å²	154	123.6 Å²	123.6	81%	0.806	74%	0.739	S	S	*	*			trans	155	114.3	151.9	-87.3	166.3	0	0	0	108.1
910	H	25.8	Very low	25.8	Very low	154 Å²	154	123 Å²	123	71%	0.713	74%	0.736	S	S	*	*			trans	52.9	105.3	162.4	-54.9	101.6	0	0	0	117
911	S	25.3	Very low	25.6	Very low	77 Å²	77	121.3 Å²	121.3	54%	0.538	74%	0.737	S	S	.	*				60.5	134.3	72.9	85.9	0	0	0	0	112.5
912	H	27.8	Very low	25.4	Very low	151 Å²	151	117.9 Å²	117.9	70%	0.699	73%	0.731	S	S	*	*			cis	-129	133.1	19	-84.3	-82.8	0	0	0	110
913	Q	27.3	Very low	25.5	Very low	163 Å²	163	122.6 Å²	122.6	76%	0.762	73%	0.734	S	S	*	*				94.2	137.7	79.9	-165.7	171	-54.4	0	0	110.1
914	P	25.6	Very low	25.6	Very low	96 Å²	96	123.9 Å²	123.9	62%	0.623	73%	0.734	S	S	*	*			trans	-90	174	-170.3	38.9	-38.5	0	0	0	111.9
915	T	25.2	Very low	25.8	Very low	128 Å²	128	120 Å²	120	79%	0.785	73%	0.725	S	S	*	*			trans	59.7	-178.5	161.7	60.3	0	0	0	0	115.7
916	P	27.7	Very low	25.9	Very low	108 Å²	108	126.2 Å²	126.2	70%	0.701	73%	0.733	S	S	*	*			cis	-104.9	-125.8	-32.8	36	-25.5	0	0	0	108
917	S	24.2	Very low	26.2	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	73%	0.725	S	S	*	*			trans	49.8	95	149.8	55.8	0	0	0	0	117.3
918	S	24.1	Very low	26.3	Very low	90 Å²	90	130.1 Å²	130.1	63%	0.629	71%	0.714	S	S	*	*				97.3	152.2	63.7	62.9	0	0	0	0	112.6
919	I	24.8	Very low	26.5	Very low	137 Å²	137	132.9 Å²	132.9	70%	0.703	71%	0.713	S	S	*	*			trans	70.6	134.7	149.1	-72.1	159.5	0	0	0	116.5
920	Q	25.4	Very low	26.6	Very low	164 Å²	164	130.5 Å²	130.5	77%	0.766	71%	0.705	S	S	*	*			trans	53.5	112.3	161.4	-73	157	-15.7	0	0	117.3
921	S	25.3	Very low	26.7	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	69%	0.694	S	S	*	*				46.5	93.8	52.2	-166.9	0	0	0	0	113.6
922	S	23.6	Very low	27	Very low	90 Å²	90	130 Å²	130	63%	0.629	70%	0.702	S	S	*	*			trans	-169.3	147.8	168.3	-88.2	0	0	0	0	113.7
923	Y	27.6	Very low	26.8	Very low	206 Å²	206	128.7 Å²	128.7	81%	0.808	70%	0.699	S	S	*	*			trans	51.6	101.4	167.4	-57.1	-64.7	0	0	0	118
924	N	27.1	Very low	26.9	Very low	159 Å²	159	129.3 Å²	129.3	85%	0.85	70%	0.695	S	S	*	*			cis	62.8	107.4	42.8	-66.6	-23.4	0	0	0	116.6
925	A	28.2	Very low	26.9	Very low	80 Å²	80	131.6 Å²	131.6	66%	0.661	70%	0.697	S	S	*	*			trans	-172.1	108.3	148.7	0	0	0	0	0	107.3
926	Y	27	Very low	27	Very low	213 Å²	213	130.1 Å²	130.1	84%	0.835	69%	0.685	S	S	*	*			cis	-142.4	-178	5.6	-66.2	-85.1	0	0	0	108.4
927	H	30.5	Very low	26.9	Very low	143 Å²	143	131.3 Å²	131.3	66%	0.662	68%	0.681	S	S	*	*			cis	-151.5	-54.1	11.3	-152.5	-50.5	0	0	0	115
928	H	28.2	Very low	27	Very low	142 Å²	142	134.6 Å²	134.6	66%	0.657	69%	0.686	S	S	*	*			trans	-158.6	153.6	-164.1	-77.1	-39.8	0	0	0	109.6
929	N	28.3	Very low	27.1	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	69%	0.686	S	S	*	*			cis	-162.8	155	-9.7	-102	-5.9	0	0	0	105.7
930	T	29.6	Very low	27.1	Very low	104 Å²	104	134.8 Å²	134.8	64%	0.638	69%	0.688	S	S	*	*			cis	-155.3	130.5	-5.9	9.8	0	0	0	0	104.3
931	S	27.4	Very low	27.1	Very low	70 Å²	70	135 Å²	135	49%	0.49	68%	0.683	S	S	.	*				42.4	140.9	102.6	69.4	0	0	0	0	115.8
932	H	31.7	Very low	27.3	Very low	151 Å²	151	135.3 Å²	135.3	70%	0.699	68%	0.675	S	S	*	*			cis	-135.6	154.3	29.3	-70.5	-92.1	0	0	0	110.8
933	I	25.2	Very low	27.5	Very low	124 Å²	124	137.4 Å²	137.4	64%	0.636	68%	0.675	S	S	*	*			cis	73.6	149	48	-50.2	163.7	0	0	0	112.2
934	Y	27.6	Very low	27.4	Very low	175 Å²	175	133 Å²	133	69%	0.686	67%	0.666	S	S	*	*			trans	90.8	118.7	-176.1	-64	-86.6	0	0	0	113.5
935	Q	27	Very low	27.5	Very low	144 Å²	144	132 Å²	132	67%	0.673	66%	0.659	S	S	*	*				72.2	147.5	62.3	-72.4	-174.4	13	0	0	112.1
936	N	25.8	Very low	27.4	Very low	98 Å²	98	132 Å²	132	52%	0.524	65%	0.654	S	S	.	*			cis	-138.1	154.6	11.3	-118.4	-19.2	0	0	0	110.8
937	Q	25.8	Very low	27.4	Very low	132 Å²	132	130.3 Å²	130.3	62%	0.617	65%	0.651	S	S	*	*				39.3	140.9	103.8	-68.3	-175.9	86.1	0	0	116.8
938	Q	27	Very low	27.3	Very low	158 Å²	158	129.3 Å²	129.3	74%	0.738	66%	0.655	S	S	*	*			trans	73.3	144.5	151.2	-72.5	147	1.4	0	0	116.5
939	S	26.1	Very low	27.5	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	66%	0.663	S	S	*	*			cis	-174.7	151.3	-9.1	47.2	0	0	0	0	112.6
940	L	25.1	Very low	27.5	Very low	144 Å²	144	129.9 Å²	129.9	75%	0.754	67%	0.666	S	S	*	*			trans	65.4	157.4	146.1	-66.2	160.5	0	0	0	118
941	Y	25.6	Very low	27.4	Very low	167 Å²	167	128.5 Å²	128.5	66%	0.655	67%	0.672	S	S	*	*			trans	17.9	136.8	141	-66.6	-111.3	0	0	0	118.3	Q943	Y941-Q943 HydrophobicContact CD1-CG 4.42Å
942	D	29.1	Very low	27.5	Very low	126 Å²	126	130.5 Å²	130.5	67%	0.674	69%	0.686	S	S	*	*			cis	-136.7	137.5	36.2	-98.9	-52.2	0	0	0	110	N944	D942-N944 PolarHBondContact OD1-ND2 2.96Å
943	Q	26.6	Very low	27.3	Very low	135 Å²	135	127.9 Å²	127.9	63%	0.631	69%	0.69	S	S	*	*				48.9	152.6	63.2	-80.1	-156.9	18.2	0	0	114.7	Y941	Y941-Q943 HydrophobicContact CD1-CG 4.42Å
944	N	26.3	Very low	27.6	Very low	113 Å²	113	127.1 Å²	127.1	60%	0.604	69%	0.694	S	S	*	*			trans	75.2	135.4	165.6	-54.3	-51.8	0	0	0	117.6	D942	D942-N944 PolarHBondContact OD1-ND2 2.96Å
945	I	29.4	Very low	27.7	Very low	137 Å²	137	123.5 Å²	123.5	70%	0.703	69%	0.694	S	S	*	*			cis	-171.8	167.8	-21.9	-126.6	172.6	0	0	0	106
946	S	26	Very low	27.9	Very low	82 Å²	82	122.2 Å²	122.2	57%	0.573	70%	0.698	S	S	*	*			trans	70.6	150.2	162.9	-74.2	0	0	0	0	117.9
947	K	27.9	Very low	27.9	Very low	176 Å²	176	123.7 Å²	123.7	77%	0.765	71%	0.706	S	S	*	*			cis	-174.8	170	-17.7	-115.2	168.8	-159.2	160	0	107.6
948	V	28.2	Very low	27.9	Very low	122 Å²	122	123.1 Å²	123.1	74%	0.739	71%	0.711	S	S	*	*			trans	69.6	129.8	145.5	154.3	0	0	0	0	115.3
949	M	31.2	Very low	27.8	Very low	167 Å²	167	122.2 Å²	122.2	82%	0.823	71%	0.71	S	S	*	*			cis	-136.2	163.7	6.4	-99.5	-100.5	-167	0	0	111.7
950	P	29.4	Very low	27.7	Very low	115 Å²	115	124.9 Å²	124.9	75%	0.747	71%	0.713	S	S	*	*			trans	-104	171.7	-174.1	40.8	-32.8	0	0	0	113.5
951	G	27.7	Very low	27.6	Very low	74 Å²	74	124.1 Å²	124.1	76%	0.763	71%	0.71	S	S	*	*			trans	103.9	150.6	160.5	0	0	0	0	0	115.2
952	S	29.6	Very low	27.7	Very low	113 Å²	113	121.5 Å²	121.5	79%	0.79	72%	0.716	S	S	*	*			cis	-163.2	127.3	-6.5	52.7	0	0	0	0	114.1
953	A	27.2	Very low	27.5	Very low	95 Å²	95	124.7 Å²	124.7	79%	0.785	72%	0.724	S	S	*	*			trans	65.4	175.7	146.2	0	0	0	0	0	118.3
954	P	31.6	Very low	27.4	Very low	109 Å²	109	129 Å²	129	71%	0.708	73%	0.734	S	S	*	*				-116	157	-55.1	28.9	-13.9	0	0	0	110.6
955	S	29.9	Very low	27.9	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	74%	0.744	S	S	*	*				55	142.2	70.2	-34.3	0	0	0	0	113.5
956	P	30.3	Very low	27.7	Very low	118 Å²	118	128.4 Å²	128.4	77%	0.766	75%	0.749	S	S	*	*			cis	-116.6	159.6	23.3	44.7	-34.2	0	0	0	113.6
957	N	25.5	Very low	27.7	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	75%	0.75	S	S	*	*			cis	65.2	115.3	49.9	-77.5	-15.1	0	0	0	113
958	V	26	Very low	27.6	Very low	119 Å²	119	126.7 Å²	126.7	72%	0.721	75%	0.748	S	S	*	*				80.2	153.9	67.5	169	0	0	0	0	111.5
959	L	24.8	Very low	27.8	Very low	139 Å²	139	124.9 Å²	124.9	73%	0.728	75%	0.746	S	S	*	*			trans	81.7	147.3	-173.8	-45.4	179.2	0	0	0	113.7
960	Q	24.4	Very low	27.8	Very low	145 Å²	145	122.5 Å²	122.5	68%	0.678	74%	0.743	S	S	*	*			cis	-165.5	172.1	-20.6	-119.1	173.6	-5.3	0	0	109.5
961	N	24	Very low	27.7	Very low	128 Å²	128	121.7 Å²	121.7	68%	0.684	74%	0.74	S	S	*	*			trans	21.7	112.2	144.7	-49.8	-16.7	0	0	0	119.4
962	S	26.8	Very low	27.9	Very low	111 Å²	111	123 Å²	123	78%	0.776	74%	0.735	S	S	*	*				-171.5	133.5	121.4	-81.3	0	0	0	0	109.5
963	F	24.1	Very low	27.7	Very low	193 Å²	193	122.5 Å²	122.5	85%	0.846	73%	0.732	S	S	*	*				68.7	119.9	63.1	-96.9	-71.7	0	0	0	115.3
964	R	25.5	Very low	27.5	Very low	225 Å²	225	122 Å²	122	85%	0.849	72%	0.722	S	S	*	*			trans	77.8	134.6	164.9	-65.2	-178.3	167.9	-104.5	-6	117.8
965	P	36.8	Very low	27.2	Very low	124 Å²	124	124.1 Å²	124.1	81%	0.805	72%	0.723	S	S	*	*			trans	-79.9	144.7	171	34.8	-34.2	0	0	0	110.8
966	S	25.3	Very low	27.1	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	72%	0.724	S	S	*	*			trans	-166.2	144.4	157.4	-88.8	0	0	0	0	107.1
967	S	25.4	Very low	26.9	Very low	84 Å²	84	127.2 Å²	127.2	59%	0.587	72%	0.717	S	S	*	*			cis	-179.6	148	-11.6	48.8	0	0	0	0	106.3
968	N	26.6	Very low	27	Very low	137 Å²	137	126.1 Å²	126.1	73%	0.733	72%	0.716	S	S	*	*			trans	60.4	104.2	164.7	-42.5	-27.6	0	0	0	113.1	P970	N968-P970 VanDerWaalsContact C-CD 3.49Å; N968-P970 VanDerWaalsContact O-CD 3.25Å; N968-P970 WeakPolarHBondContact O-CD 3.32Å
969	A	32.6	Very low	27.1	Very low	85 Å²	85	126.4 Å²	126.4	70%	0.702	72%	0.719	S	S	*	*				34.1	76.7	59	0	0	0	0	0	113.2	S971	A969-S971 WeakPolarHBondContact O-CB 3.46Å
970	P	31.2	Very low	27.2	Very low	117 Å²	117	124.7 Å²	124.7	76%	0.76	71%	0.714	S	S	*	*				-81.1	119.6	122.9	33.4	-26.8	0	0	0	108.6	N968	N968-P970 VanDerWaalsContact C-CD 3.49Å; N968-P970 VanDerWaalsContact O-CD 3.25Å; N968-P970 WeakPolarHBondContact O-CD 3.32Å
971	S	27.2	Very low	27.4	Very low	97 Å²	97	123 Å²	123	68%	0.678	71%	0.713	S	S	*	*			cis	56.1	135	12.3	-98.6	0	0	0	0	115.8	A969	A969-S971 WeakPolarHBondContact O-CB 3.46Å
972	P	31.2	Very low	27.8	Very low	101 Å²	101	123.9 Å²	123.9	66%	0.656	72%	0.718	S	S	*	*			cis	-101.8	175.9	-7.1	45.5	-35.2	0	0	0	109.5
973	S	25.3	Very low	27.7	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	71%	0.709	S	S	*	*				45.3	169.1	90.6	109.5	0	0	0	0	116.3
974	S	23.1	Very low	28	Very low	84 Å²	84	119.9 Å²	119.9	59%	0.587	71%	0.711	S	S	*	*			trans	79.4	130.2	172.8	-42.9	0	0	0	0	112.8
975	Q	25.5	Very low	28.1	Very low	155 Å²	155	112.3 Å²	112.3	72%	0.724	70%	0.702	S	S	*	*			cis	-132.6	121.9	3.7	-69.9	-169.9	-7.6	0	0	108.9
976	F	27.6	Very low	27.6	Very low	161 Å²	161	114.3 Å²	114.3	71%	0.706	71%	0.705	S	S	*	*				96.8	150.6	90.2	-79.1	-168.4	0	0	0	111.2
977	I	25.7	Very low	27.5	Very low	119 Å²	119	113.6 Å²	113.6	61%	0.61	70%	0.701	S	S	*	*			cis	-146.9	151.4	-18.7	-116.6	169	0	0	0	106.1	T979	I977-T979 PolarHBondContact O-N 3.33Å
978	P	28.5	Very low	27.8	Very low	106 Å²	106	114.9 Å²	114.9	69%	0.688	71%	0.709	S	S	*	*			trans	-70	130.4	176.2	29.4	-34.4	0	0	0	111.6
979	T	28.1	Very low	27.7	Very low	126 Å²	126	113.7 Å²	113.7	77%	0.773	71%	0.709	S	S	*	*			trans	-124.8	86.6	149.1	47	0	0	0	0	107.4	I977	I977-T979 PolarHBondContact O-N 3.33Å
980	T	26.2	Very low	27.2	Very low	102 Å²	102	114.8 Å²	114.8	63%	0.626	71%	0.711	S	S	*	*				74.4	142.2	76.9	62.6	0	0	0	0	113.4
981	V	28.5	Very low	27	Very low	109 Å²	109	114.2 Å²	114.2	66%	0.661	71%	0.709	S	S	*	*			trans	55.3	125.4	171.4	-67.1	0	0	0	0	116.4	T983	V981-T983 HydrophobicContact CG1-CG2 4.24Å
982	N	31.8	Very low	26.8	Very low	147 Å²	147	114.3 Å²	114.3	79%	0.786	71%	0.71	S	S	*	*			cis	-120.8	135.4	18.5	-65.7	-73	0	0	0	110
983	T	25.1	Very low	26.6	Very low	95 Å²	95	120.4 Å²	120.4	58%	0.583	72%	0.72	S	S	*	*			cis	62.5	135.7	36.1	72.6	0	0	0	0	115	V981	V981-T983 HydrophobicContact CG1-CG2 4.24Å
984	S	30.4	Very low	26.7	Very low	126 Å²	126	120.9 Å²	120.9	88%	0.881	72%	0.718	S	S	*	*			trans	74	125.7	-167.2	-28.5	0	0	0	0	113
985	G	28.8	Very low	27	Very low	66 Å²	66	123.4 Å²	123.4	68%	0.68	73%	0.732	S	S	*	*			cis	-140.4	142.6	-12.9	0	0	0	0	0	108.4
986	L	25.4	Very low	27	Very low	165 Å²	165	120.4 Å²	120.4	86%	0.864	73%	0.729	S	S	*	*				57.6	127	70.9	-74.2	176.1	0	0	0	113.4
987	S	23.6	Very low	27.1	Very low	101 Å²	101	120.6 Å²	120.6	71%	0.706	73%	0.729	S	S	*	*			trans	57.6	115.6	155.4	62.5	0	0	0	0	117.9
988	S	31.5	Very low	27	Very low	110 Å²	110	120.6 Å²	120.6	77%	0.769	73%	0.726	S	S	*	*				8.7	134.5	111.3	-37.6	0	0	0	0	115
989	P	24.9	Very low	26.9	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	73%	0.725	S	S	*	*				-154.5	-151.8	72.6	40	-18.6	0	0	0	112.7
990	C	22.4	Very low	26.8	Very low	108 Å²	108	121.5 Å²	121.5	73%	0.73	72%	0.716	S	S	*	*			trans	41.1	119.6	145.4	-65.1	0	0	0	0	118.9
991	S	25	Very low	26.9	Very low	105 Å²	105	122 Å²	122	73%	0.734	72%	0.721	S	S	*	*				57.8	121.3	71.8	-169.3	0	0	0	0	114.5
992	S	24.5	Very low	26.8	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	73%	0.725	S	S	*	*			trans	77.5	164.3	170.7	85	0	0	0	0	118.4
993	R	25.4	Very low	26.6	Very low	230 Å²	230	124.3 Å²	124.3	87%	0.868	72%	0.724	S	S	*	*			trans	68.6	99.2	-176.7	-51	179.9	-173.5	-160.9	1	113.5
994	V	27.9	Very low	27	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.685	74%	0.736	S	S	*	*			cis	60.5	102.1	19.1	-163.7	0	0	0	0	114	S996	V994-S996 PolarHBondContact O-N 3.41Å; V994-S996 VanDerWaalsContact O-N 3.09Å
995	P	29.4	Very low	26.8	Very low	136 Å²	136	124.8 Å²	124.8	88%	0.883	72%	0.724	S	S	*	*			trans	-62.9	103.7	152.4	-16.8	31.8	0	0	0	108.4
996	S	26.3	Very low	26.7	Very low	93 Å²	93	129 Å²	129	65%	0.65	73%	0.725	S	S	*	*			trans	-58.7	135.1	-174.4	47.8	0	0	0	0	113.9	V994	V994-S996 PolarHBondContact O-N 3.41Å; V994-S996 VanDerWaalsContact O-N 3.09Å
997	K	28.7	Very low	26.8	Very low	165 Å²	165	127.2 Å²	127.2	72%	0.717	71%	0.712	S	S	*	*			trans	171.4	146.2	134.4	-93.2	151.6	-175.7	-179.2	0	112.3
998	Q	24.7	Very low	27	Very low	118 Å²	118	128.9 Å²	128.9	55%	0.551	71%	0.709	S	S	*	*			cis	-162.7	144.8	-36.6	-137.3	170.4	-25.3	0	0	107.3
999	Y	26.9	Very low	26.8	Very low	166 Å²	166	131.6 Å²	131.6	65%	0.651	71%	0.71	S	S	*	*			trans	66	130.2	175	-55.2	-65.2	0	0	0	116.7	Q1767	Y999-Q1767 PolarHBondContact O-NE2 3.28Å
1000	S	26	Very low	27.1	Very low	85 Å²	85	128.9 Å²	128.9	59%	0.594	70%	0.702	S	S	*	*			cis	82.4	157.4	47.5	-51.5	0	0	0	0	112.6
1001	P	28.2	Very low	27.5	Very low	113 Å²	113	128 Å²	128	73%	0.734	70%	0.697	S	S	*	*				-133.2	-134.4	-83.6	34.2	-11.8	0	0	0	110.5
1002	Q	25.5	Very low	27.9	Very low	160 Å²	160	128.9 Å²	128.9	75%	0.748	70%	0.7	S	S	*	*			trans	80.9	114.7	162.5	-70.7	-179.7	-17.6	0	0	119.5
1003	L	28.3	Very low	28.1	Very low	145 Å²	145	130.9 Å²	130.9	76%	0.759	70%	0.699	S	S	*	*				63	121.4	123.1	-60.9	169.1	0	0	0	119.3	P1005	L1003-P1005 WeakPolarHBondContact O-CD 3.25Å
1004	T	32.5	Very low	28.2	Very low	135 Å²	135	125 Å²	125	83%	0.828	68%	0.684	S	S	*	*			trans	-43.4	135.8	141.8	-27.2	0	0	0	0	109.8
1005	P	27.7	Very low	28.1	Very low	96 Å²	96	128.7 Å²	128.7	62%	0.623	69%	0.686	S	S	*	*				-136.2	169.7	113.7	41.5	-33.9	0	0	0	112.6	L1003	L1003-P1005 WeakPolarHBondContact O-CD 3.25Å
1006	H	26.4	Very low	27.9	Very low	154 Å²	154	124.6 Å²	124.6	71%	0.713	66%	0.657	S	S	*	*			trans	17.7	138.5	132.3	-59	-32.9	0	0	0	119.2
1007	Q	27.5	Very low	28	Very low	128 Å²	128	123.9 Å²	123.9	60%	0.598	65%	0.645	S	S	*	*			cis	-169.5	-168.4	15.5	-120.4	160.2	39.6	0	0	109.6
1008	Q	27.6	Very low	27.8	Very low	135 Å²	135	121.4 Å²	121.4	63%	0.631	65%	0.647	S	S	*	*			trans	23.4	134.9	135.3	-61.2	166	32.3	0	0	117.9
1009	Q	27.6	Very low	27.9	Very low	168 Å²	168	121.7 Å²	121.7	79%	0.785	66%	0.66	S	S	*	*			cis	-169.8	166.1	33	-127.5	156.4	43.4	0	0	109.9
1010	G	30.4	Very low	27.9	Very low	55 Å²	55	117.6 Å²	117.6	57%	0.567	67%	0.668	S	S	*	*			trans	46.2	111.8	156.9	0	0	0	0	0	118.8
1011	S	30.5	Very low	27.9	Very low	91 Å²	91	116.8 Å²	116.8	64%	0.636	67%	0.673	S	S	*	*				14.4	105	60.3	53.3	0	0	0	0	114.6
1012	P	33.3	Very low	27.8	Very low	123 Å²	123	117.5 Å²	117.5	80%	0.799	68%	0.676	S	S	*	*				-78.6	119.3	106.3	-28	36.4	0	0	0	107.3
1013	Q	28.7	Very low	27.9	Very low	139 Å²	139	118.9 Å²	118.9	65%	0.65	68%	0.682	S	S	*	*				45.4	117.2	55.6	-43.9	-169.8	8.2	0	0	109.1
1014	N	27.9	Very low	27.7	Very low	106 Å²	106	121.4 Å²	121.4	57%	0.567	69%	0.687	S	S	*	*				-175.3	145.5	53	-111.6	-44.3	0	0	0	106.9
1015	R	25.4	Very low	27.6	Very low	191 Å²	191	120 Å²	120	72%	0.721	68%	0.68	S	S	*	*				78.2	150	126.6	-69.7	179.8	175	-120.2	-1.5	119.4
1016	L	26.8	Very low	27.6	Very low	51 Å²	51	122.8 Å²	122.8	27%	0.267	69%	0.688	S	S	.	*			cis	-156.3	152	-15.8	-80.9	139.3	0	0	0	110.9	P1703 V1704 L1705	L1016-P1703 CarbonylContact C-O 3.28Å; L1016-P1703 VanDerWaalsContact C-O 3.28Å; L1016-P1703 WeakPolarHBondContact CA-O 3.39Å; L1016-P1703 WeakPolarHBondContact CB-O 3.38Å; L1016-P1703 HydrophobicContact CD2-CB 4.36Å; L1016-P1703 HydrophobicContact CD2-CG 3.65Å; L1016-P1703 WeakPolarHBondContact CD2-O 3.46Å; L1016-P1703 WeakPolarHBondContact CG-O 3.49Å; L1016-V1704 VanDerWaalsContact CB-CA 3.44Å; L1016-V1704 WeakPolarHBondContact CD1-O 3.2Å; L1016-V1704 VanDerWaalsContact CD2-N 3.26Å; L1016-V1704 VanDerWaalsContact CD2-O 3.26Å; L1016-V1704 WeakPolarHBondContact CD2-O 3.48Å; L1016-V1704 VanDerWaalsContact CG-C 3.42Å; L1016-V1704 WeakPolarHBondContact CG-O 3.07Å; L1016-L1705 HydrophobicContact CD1-CB 4.11Å; L1016-L1705 WeakPolarHBondContact CD1-O 3.31Å
1017	N	27.7	Very low	27.7	Very low	77 Å²	77	123.6 Å²	123.6	41%	0.412	69%	0.692	S	S	.	*	B	Isolated β-bridge	trans	-28.6	162.3	-175.8	-63.3	-4	0	0	0	123.2	P1703 V1704	N1017-P1703 PolarHBondContact N-O 3.39Å; N1017-P1703 WeakPolarHBondContact ND2-CA 3.44Å; N1017-P1703 VanDerWaalsContact OD1-C 3.25Å; N1017-P1703 WeakPolarHBondContact OD1-CA 3.33Å; N1017-P1703 PolarHBondContact OD1-O 3.19Å; N1017-V1704 HydrophobicContact CB-CB 4.06Å; N1017-V1704 HydrophobicContact CB-CG1 4.22Å; N1017-V1704 HydrophobicContact CB-CG2 3.84Å; N1017-V1704 WeakPolarHBondContact ND2-CG2 3.39Å
1018	C	23.3	Very low	27.7	Very low	113 Å²	113	121.7 Å²	121.7	76%	0.764	69%	0.693	S	S	*	*			trans	-48.3	155.7	154.4	-36.8	0	0	0	0	114.5
1019	P	27.1	Very low	27.8	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	70%	0.7	S	S	*	*				-124.7	-174.6	70.1	37.3	-25.2	0	0	0	111.9
1020	G	26.8	Very low	27.8	Very low	80 Å²	80	125.1 Å²	125.1	83%	0.825	71%	0.706	S	S	*	*			cis	123.5	122.5	7.8	0	0	0	0	0	110.8
1021	G	25.9	Very low	27.8	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	71%	0.711	S	S	*	*			trans	131.9	116.4	171.9	0	0	0	0	0	117.8
1022	T	27.1	Very low	27.6	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	72%	0.723	S	S	*	*			trans	48.2	119.6	139.2	51.6	0	0	0	0	123.5
1023	Q	26.9	Very low	27.3	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	71%	0.712	S	S	*	*			trans	84	145.5	139.5	-62.6	-178.8	17.4	0	0	122
1024	K	25.5	Very low	27.2	Very low	198 Å²	198	129.2 Å²	129.2	86%	0.861	70%	0.7	S	S	*	*			trans	-39.2	167.2	167.1	-75.2	175.2	-179.8	178.7	0	116.5
1025	P	29.8	Very low	27.3	Very low	106 Å²	106	127.4 Å²	127.4	69%	0.688	69%	0.69	S	S	*	*			cis	-146.1	-158.7	-18.9	38.5	-15.8	0	0	0	114.8
1026	I	27.3	Very low	27.5	Very low	154 Å²	154	121.9 Å²	121.9	79%	0.79	68%	0.681	S	S	*	*			trans	73.1	104.5	152.7	-68.3	170.2	0	0	0	120
1027	H	27.8	Very low	27.7	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.796	70%	0.698	S	S	*	*				63.6	105.9	123.6	-139.2	79.2	0	0	0	123.4
1028	S	28.3	Very low	27.8	Very low	88 Å²	88	126.7 Å²	126.7	62%	0.615	71%	0.714	S	S	*	*				96.4	153	124	80.4	0	0	0	0	124.9
1029	Q	29.7	Very low	28.1	Very low	167 Å²	167	126.6 Å²	126.6	78%	0.78	71%	0.706	S	S	*	*			trans	78	120.9	155.6	-60.7	-159	26	0	0	123.8
1030	F	28.1	Very low	28	Very low	208 Å²	208	128 Å²	128	91%	0.912	70%	0.702	S	S	*	*			trans	-149.9	142.6	139.5	-90.8	-82	0	0	0	104.8
1031	I	29.4	Very low	28	Very low	129 Å²	129	131.7 Å²	131.7	66%	0.662	70%	0.699	S	S	*	*	S	Bend	cis	-139.1	136.7	14.8	-62.2	179.1	0	0	0	109.7
1032	R	26.7	Very low	28.1	Very low	237 Å²	237	132.4 Å²	132.4	89%	0.894	69%	0.693	S	S	*	*			trans	52.2	126.6	164.2	-64.5	167.7	-147.8	-134.1	3.1	118.6
1033	G	26.2	Very low	28.1	Very low	56 Å²	56	132.8 Å²	132.8	58%	0.577	70%	0.695	S	S	*	*			cis	142.5	142.1	-11.9	0	0	0	0	0	114.2
1034	N	28.1	Very low	28	Very low	71 Å²	71	128.1 Å²	128.1	38%	0.38	68%	0.684	S	S	.	*			trans	75.7	140	160.8	-53.2	-55.6	0	0	0	117.9	R1714 H1715	N1034-R1714 WeakPolarHBondContact OD1-CA 3.48Å; N1034-H1715 VanDerWaalsContact CG-CA 3.44Å; N1034-H1715 PolarHBondContact ND2-N 2.64Å; N1034-H1715 PolarHBondContact ND2-O 3.21Å; N1034-H1715 VanDerWaalsContact ND2-O 3.14Å; N1034-H1715 PolarHBondContact OD1-N 3Å
1035	N	29.1	Very low	28.1	Very low	69 Å²	69	125 Å²	125	37%	0.369	68%	0.676	S	S	.	*			cis	-156.2	172.1	-10.7	-128.9	-15.4	0	0	0	115	H1715	N1035-H1715 PolarHBondContact ND2-CD2 3.18Å; N1035-H1715 VanDerWaalsContact ND2-CD2 3.29Å; N1035-H1715 PolarHBondContact ND2-CE1 2.68Å; N1035-H1715 PolarHBondContact ND2-N 2.84Å; N1035-H1715 VanDerWaalsContact ND2-N 3.19Å; N1035-H1715 PolarHBondContact ND2-ND1 2.78Å; N1035-H1715 VanDerWaalsContact ND2-ND1 3.17Å; N1035-H1715 PolarHBondContact ND2-NE2 3.39Å; N1035-H1715 VanDerWaalsContact ND2-NE2 3.19Å
1036	S	30.7	Very low	27.9	Very low	75 Å²	75	126.1 Å²	126.1	52%	0.524	68%	0.677	S	S	.	*			trans	-20.6	160.7	155.9	-42.8	0	0	0	0	117.5
1037	S	31.1	Very low	27.9	Very low	91 Å²	91	125.8 Å²	125.8	64%	0.636	67%	0.672	S	S	*	*			cis	-176.1	160.6	44.7	59.9	0	0	0	0	115.5
1038	N	29.3	Very low	27.8	Very low	137 Å²	137	125.1 Å²	125.1	73%	0.733	67%	0.669	S	S	*	*			trans	69.6	150.8	149.1	-61.9	-0.9	0	0	0	117.9
1039	N	28.3	Very low	27.6	Very low	112 Å²	112	126.8 Å²	126.8	60%	0.599	68%	0.675	S	S	*	*			cis	-153.6	163.2	-2.5	-120.5	-1.2	0	0	0	111.8
1040	Q	26.8	Very low	27.2	Very low	154 Å²	154	122.7 Å²	122.7	72%	0.72	66%	0.659	S	S	*	*			trans	20.3	146.7	136	-57.2	166	-11.1	0	0	119.5
1041	M	26.7	Very low	27	Very low	156 Å²	156	118.7 Å²	118.7	77%	0.768	64%	0.643	S	S	*	*			cis	-167.6	157.1	28.9	-157.4	109.5	162.3	0	0	112.9
1042	S	26.3	Very low	26.6	Very low	85 Å²	85	117.1 Å²	117.1	59%	0.594	64%	0.636	S	S	*	*			trans	52.4	132.4	145.3	-66.3	0	0	0	0	125.1
1043	T	27.8	Very low	26.4	Very low	134 Å²	134	110.5 Å²	110.5	82%	0.822	61%	0.614	S	S	*	*			trans	62.3	148	136.8	55.9	0	0	0	0	121
1044	S	25.6	Very low	26.4	Very low	92 Å²	92	111.8 Å²	111.8	64%	0.643	61%	0.611	S	S	*	*			cis	-173.6	164.8	-11	49.4	0	0	0	0	110.9
1045	N	26.1	Very low	26.3	Very low	131 Å²	131	113.7 Å²	113.7	70%	0.701	63%	0.625	S	S	*	*			trans	67.6	122	152.3	-69.6	0.9	0	0	0	121.7
1046	N	26.3	Very low	26.3	Very low	130 Å²	130	118.2 Å²	118.2	70%	0.695	64%	0.644	S	S	*	*				82.5	140.3	126.3	-69.1	-5	0	0	0	123.9
1047	H	28.2	Very low	26.1	Very low	148 Å²	148	119 Å²	119	69%	0.685	65%	0.649	S	S	*	*			trans	66.3	113.9	146.2	-76.5	-64.6	0	0	0	122
1048	Q	24.6	Very low	25.9	Very low	157 Å²	157	125.1 Å²	125.1	73%	0.734	66%	0.658	S	S	*	*				70.7	126.7	124.7	-76.5	169.9	-40.4	0	0	121.8
1049	T	24.2	Very low	25.7	Very low	123 Å²	123	123.5 Å²	123.5	76%	0.755	66%	0.657	S	S	*	*			trans	59.2	102.9	138.5	58.9	0	0	0	0	120.4
1050	N	22.5	Very low	25.7	Very low	81 Å²	81	124.7 Å²	124.7	43%	0.433	66%	0.664	S	S	.	*				85.6	150.5	113.7	-161.3	43	0	0	0	118.4	N1386	N1050-N1386 PolarHBondContact OD1-ND2 2.93Å
1051	E	23.1	Very low	25.7	Very low	125 Å²	125	123 Å²	123	58%	0.584	67%	0.665	S	S	*	*			trans	67.5	135.1	167	-81.6	164.5	-128.2	0	0	121.4
1052	N	22	Very low	25.8	Very low	96 Å²	96	120.5 Å²	120.5	51%	0.513	66%	0.66	S	S	.	*			trans	68.2	137.5	148.9	-71.7	-48.9	0	0	0	122.4
1053	F	22.5	Very low	25.8	Very low	97 Å²	97	121.7 Å²	121.7	43%	0.425	66%	0.663	S	S	.	*			trans	68.9	102.6	137	-81.8	-139.3	0	0	0	121.1	I1073 N1074	F1053-I1073 HydrophobicContact CD1-CG2 4.33Å; F1053-I1073 HydrophobicContact CE1-CD1 4.28Å; F1053-I1073 HydrophobicContact CE1-CG2 3.25Å; F1053-I1073 HydrophobicContact CE2-CG2 4.16Å; F1053-I1073 HydrophobicContact CZ-CG2 3.15Å; F1053-N1074 WeakPolarHBondContact CD1-ND2 3.3Å; F1053-N1074 HydrophobicContact CD2-CB 3.9Å; F1053-N1074 HydrophobicContact CE1-CB 4.41Å; F1053-N1074 HydrophobicContact CE2-CB 3.66Å; F1053-N1074 HydrophobicContact CG-CB 4.4Å; F1053-N1074 WeakPolarHBondContact CG-ND2 2.87Å; F1053-N1074 HydrophobicContact CZ-CB 3.95Å
1054	T	24.9	Very low	25.6	Very low	83 Å²	83	121.6 Å²	121.6	51%	0.509	66%	0.658	S	S	.	*			trans	60.4	163.5	131.5	38.4	0	0	0	0	122.2	N1074	T1054-N1074 WeakPolarHBondContact CG2-ND2 3.35Å; T1054-N1074 WeakPolarHBondContact CG2-OD1 3.32Å; T1054-N1074 PolarHBondContact OG1-ND2 3.4Å
1055	T	26	Very low	25.7	Very low	112 Å²	112	122 Å²	122	69%	0.687	66%	0.657	S	S	*	*			trans	76.6	144	165.2	81.6	0	0	0	0	115.9
1056	H	28.7	Very low	25.7	Very low	163 Å²	163	120.9 Å²	120.9	76%	0.755	66%	0.655	S	S	*	*			cis	-168	-173.2	-25	-102.9	-32.7	0	0	0	107.5
1057	S	26.6	Very low	25.8	Very low	91 Å²	91	124 Å²	124	64%	0.636	66%	0.658	S	S	*	*			trans	84.4	143.4	147	-63.1	0	0	0	0	118
1058	R	26.7	Very low	25.8	Very low	221 Å²	221	121.8 Å²	121.8	83%	0.834	66%	0.655	S	S	*	*			cis	-162.9	178.5	-7.3	-119.4	165.9	-172.5	176.4	1.4	111
1059	S	26.4	Very low	26.1	Very low	102 Å²	102	120.2 Å²	120.2	71%	0.713	65%	0.652	S	S	*	*			trans	71.7	132.6	159.9	68.9	0	0	0	0	116.7
1060	N	27.9	Very low	26.2	Very low	137 Å²	137	121.1 Å²	121.1	73%	0.733	65%	0.652	S	S	*	*			cis	-139.7	128.7	-8.8	-85.3	-30.6	0	0	0	106.9
1061	T	27.3	Very low	26.5	Very low	120 Å²	120	121 Å²	121	74%	0.736	66%	0.662	S	S	*	*				52.4	140.2	83	53.5	0	0	0	0	114.3
1062	P	28.5	Very low	26.7	Very low	102 Å²	102	120.9 Å²	120.9	66%	0.662	67%	0.67	S	S	*	*			cis	-134.1	150.8	29.3	43.9	-28.6	0	0	0	117.2
1063	T	26.1	Very low	27	Very low	110 Å²	110	121.9 Å²	121.9	68%	0.675	67%	0.674	S	S	*	*			trans	57.7	149.9	132.6	62.4	0	0	0	0	120.5
1064	N	24.7	Very low	27.3	Very low	132 Å²	132	120.9 Å²	120.9	71%	0.706	67%	0.673	S	S	*	*			cis	-168.5	162.2	-0.6	-108.4	-6.9	0	0	0	105.8
1065	T	25.8	Very low	27.3	Very low	102 Å²	102	119.7 Å²	119.7	63%	0.626	67%	0.668	S	S	*	*			cis	-168.5	145.2	12.5	11	0	0	0	0	108.2
1066	V	26.1	Very low	27.4	Very low	107 Å²	107	117.2 Å²	117.2	65%	0.648	66%	0.656	S	S	*	*			trans	70.6	136.1	132.8	168.4	0	0	0	0	118.2
1067	Y	28.6	Very low	27.7	Very low	194 Å²	194	113.9 Å²	113.9	76%	0.761	65%	0.649	S	S	*	*			cis	-149.3	151.2	9.8	-117.1	-22.4	0	0	0	113.4
1068	T	28.8	Very low	27.8	Very low	103 Å²	103	113 Å²	113	63%	0.632	64%	0.637	S	S	*	*			trans	51.1	142.8	145.2	61.1	0	0	0	0	122.1
1069	N	29.9	Very low	27.8	Very low	123 Å²	123	108 Å²	108	66%	0.658	63%	0.626	S	S	*	*			cis	-164.8	148.9	-6.3	-109.7	-4.5	0	0	0	111.7
1070	N	28.3	Very low	27.9	Very low	143 Å²	143	108.1 Å²	108.1	77%	0.765	62%	0.619	S	S	*	*			trans	50.8	143.6	141	-55	-9.2	0	0	0	121.6
1071	A	28.2	Very low	28.1	Very low	79 Å²	79	104.4 Å²	104.4	65%	0.653	60%	0.602	S	S	*	*			cis	-161.5	130.6	-16.1	0	0	0	0	0	108.6
1072	T	27.9	Very low	28.1	Very low	122 Å²	122	103.3 Å²	103.3	75%	0.748	59%	0.589	S	S	*	*				66.9	125.1	89.5	-24.8	0	0	0	0	113
1073	I	28.1	Very low	28.1	Very low	116 Å²	116	104.9 Å²	104.9	60%	0.595	58%	0.582	S	S	*	*				-179.2	138.1	80.2	-86.2	176.7	0	0	0	113.2	F1053	F1053-I1073 HydrophobicContact CD1-CG2 4.33Å; F1053-I1073 HydrophobicContact CE1-CD1 4.28Å; F1053-I1073 HydrophobicContact CE1-CG2 3.25Å; F1053-I1073 HydrophobicContact CE2-CG2 4.16Å; F1053-I1073 HydrophobicContact CZ-CG2 3.15Å
1074	N	27.1	Very low	28.4	Very low	76 Å²	76	105 Å²	105	41%	0.406	58%	0.582	S	S	.	*			trans	21.6	161.2	143.7	-41.6	-23.7	0	0	0	123.3	F1053 T1054	F1053-N1074 WeakPolarHBondContact CD1-ND2 3.3Å; F1053-N1074 HydrophobicContact CD2-CB 3.9Å; F1053-N1074 HydrophobicContact CE1-CB 4.41Å; F1053-N1074 HydrophobicContact CE2-CB 3.66Å; F1053-N1074 HydrophobicContact CG-CB 4.4Å; F1053-N1074 WeakPolarHBondContact CG-ND2 2.87Å; F1053-N1074 HydrophobicContact CZ-CB 3.95Å; T1054-N1074 WeakPolarHBondContact CG2-ND2 3.35Å; T1054-N1074 WeakPolarHBondContact CG2-OD1 3.32Å; T1054-N1074 PolarHBondContact OG1-ND2 3.4Å
1075	S	26.6	Very low	28.6	Very low	58 Å²	58	102.5 Å²	102.5	41%	0.406	57%	0.569	S	S	.	*			cis	-157.3	-144.5	12.6	-130.4	0	0	0	0	113.1	G1382	S1075-G1382 WeakPolarHBondContact CB-O 3.25Å; S1075-G1382 PolarHBondContact OG-O 3.05Å
1076	S	26.9	Very low	28.7	Very low	60 Å²	60	105.8 Å²	105.8	42%	0.42	57%	0.571	S	S	.	*			trans	-157.7	-171.2	-180	-38.1	0	0	0	0	114.4	G1382 N1383 N1384	S1076-G1382 VanDerWaalsContact N-C 3.32Å; S1076-G1382 PolarHBondContact N-O 2.86Å; S1076-G1382 VanDerWaalsContact N-O 3.12Å; S1076-G1382 PolarHBondContact OG-N 2.82Å; S1076-G1382 VanDerWaalsContact OG-N 3.17Å; S1076-N1383 CarbonylContact O-C 3.56Å; S1076-N1383 WeakPolarHBondContact O-CA 3.44Å; S1076-N1383 PolarHBondContact O-N 2.91Å; S1076-N1383 VanDerWaalsContact O-O 3.14Å; S1076-N1384 PolarHBondContact O-N 2.85Å; S1076-N1384 VanDerWaalsContact O-N 3.16Å
1077	P	35.3	Very low	29.1	Very low	94 Å²	94	106.9 Å²	106.9	61%	0.61	57%	0.572	S	S	*	*			trans	-120.4	176.1	-177.8	41.6	-31.4	0	0	0	117.8
1078	L	28	Very low	29.4	Very low	73 Å²	73	100.5 Å²	100.5	38%	0.382	56%	0.555	S	S	.	*			trans	-163.2	152.5	173.4	-129.7	149.5	0	0	0	118.4	N1383 N1385	L1078-N1383 WeakPolarHBondContact CD1-ND2 3.24Å; L1078-N1385 PolarHBondContact O-OD1 3.31Å; L1078-N1385 VanDerWaalsContact O-OD1 3.09Å
1079	N	27.7	Very low	29.6	Very low	115 Å²	115	102.8 Å²	102.8	62%	0.615	56%	0.556	S	S	*	*			trans	85.1	120.6	144	-118.7	-3.3	0	0	0	128
1080	N	28	Very low	29.6	Very low	105 Å²	105	101.9 Å²	101.9	56%	0.561	55%	0.551	S	S	*	*			trans	89	168.2	132.9	-113.4	13.3	0	0	0	123.2
1081	P	33.1	Very low	29.8	Very low	58 Å²	58	101.9 Å²	101.9	38%	0.377	55%	0.551	S	S	.	*				-142.4	-165.6	-111.3	45.4	-24.4	0	0	0	118.6	N1668	P1081-N1668 VanDerWaalsContact CB-OD1 3.25Å; P1081-N1668 WeakPolarHBondContact CB-OD1 3.24Å
1082	Q	27.1	Very low	30.1	Very low	98 Å²	98	104 Å²	104	46%	0.458	55%	0.55	S	S	.	*			trans	121.3	143.5	130	-132.2	-179.9	29.8	0	0	121.4
1083	Y	28.1	Very low	30.3	Very low	135 Å²	135	105.4 Å²	105.4	53%	0.529	55%	0.549	S	S	.	.			trans	67.4	140.9	169.7	-70.9	-70.2	0	0	0	118.8
1084	V	31.1	Very low	30.6	Very low	111 Å²	111	106.8 Å²	106.8	67%	0.673	55%	0.553	S	S	*	*			cis	94.2	133.8	-4.4	-147.7	0	0	0	0	120.2
1085	N	28.8	Very low	30.8	Very low	80 Å²	80	109 Å²	109	43%	0.428	56%	0.56	S	S	.	*			trans	110.8	152.6	160.3	-64.4	-16.5	0	0	0	117.8	S1393	N1085-S1393 VanDerWaalsContact O-CB 3.28Å; N1085-S1393 WeakPolarHBondContact O-CB 3.47Å; N1085-S1393 PolarHBondContact O-OG 3.01Å
1086	Y	28.9	Very low	30.9	Very low	171 Å²	171	113 Å²	113	67%	0.671	57%	0.572	S	S	*	*			cis	-162.9	-177.5	-9.9	-116.3	-163.9	0	0	0	114.3
1087	I	33.8	Very low	31.1	Very low	131 Å²	131	116.8 Å²	116.8	67%	0.672	58%	0.584	S	S	*	*			trans	-83.7	-90.5	-158.4	-41.7	173.4	0	0	0	116.1	C1395 N1396	I1087-C1395 VanDerWaalsContact O-CA 3.3Å; I1087-C1395 WeakPolarHBondContact O-CA 3.47Å; I1087-N1396 PolarHBondContact O-N 3.21Å
1088	P	34.7	Very low	30.7	Very low	60 Å²	60	120 Å²	120	39%	0.39	59%	0.591	S	S	.	*			cis	-128.7	-165.6	-39.9	27	-2	0	0	0	114.5
1089	K	33.7	Very low	30.7	Very low	151 Å²	151	119.9 Å²	119.9	66%	0.657	60%	0.595	S	S	*	*			trans	91	149.8	153	-54.9	-158.8	158.2	-106.6	0	122.5
1090	D	30.1	Very low	30.6	Very low	103 Å²	103	121.8 Å²	121.8	55%	0.551	60%	0.601	S	S	*	*			cis	-172.3	169.6	-27.7	-93.7	-20.8	0	0	0	110.3
1091	N	33.1	Very low	30.4	Very low	143 Å²	143	123.3 Å²	123.3	77%	0.765	61%	0.606	S	S	*	*			trans	82.5	151.4	156.7	-56.3	-43.9	0	0	0	119.4
1092	L	33.4	Very low	30	Very low	123 Å²	123	128.8 Å²	128.8	64%	0.644	62%	0.624	S	S	*	*			cis	-160.5	152.2	0.9	-146.9	63.4	0	0	0	114.3
1093	Q	33.3	Very low	29.9	Very low	153 Å²	153	130.8 Å²	130.8	72%	0.715	64%	0.637	S	S	*	*			trans	58.5	169.2	151.7	-82.7	159.3	12	0	0	120.1
1094	Q	33.4	Very low	29.9	Very low	145 Å²	145	129 Å²	129	68%	0.678	64%	0.644	S	S	*	*			cis	-166.1	175.3	-41.6	-107.7	179.1	9.8	0	0	106.5
1095	H	32.3	Very low	29.6	Very low	122 Å²	122	128.9 Å²	128.9	57%	0.565	65%	0.648	S	S	*	*			cis	-144.9	158.9	3.4	-126.3	84	0	0	0	105
1096	Q	27.5	Very low	29.8	Very low	141 Å²	141	129.7 Å²	129.7	66%	0.659	66%	0.657	S	S	*	*			cis	87.7	138.8	23.5	-154.1	-152.2	108.6	0	0	115.9
1097	Q	31.8	Very low	29.7	Very low	141 Å²	141	129.7 Å²	129.7	66%	0.659	66%	0.664	S	S	*	*			trans	79.6	153.6	170.1	-63.7	-174.9	32.8	0	0	119.6
1098	Q	27.7	Very low	29.4	Very low	162 Å²	162	127.9 Å²	127.9	76%	0.757	66%	0.662	S	S	*	*			cis	-170	168.8	-38	-142.4	-172.4	38.5	0	0	111.3
1099	S	26.4	Very low	29.1	Very low	69 Å²	69	130 Å²	130	48%	0.483	68%	0.679	S	S	.	*			trans	71.9	114.1	141.8	-77	0	0	0	0	123.3
1100	Q	25.6	Very low	28.7	Very low	156 Å²	156	127.5 Å²	127.5	73%	0.729	68%	0.679	S	S	*	*				96.2	137.7	117	-74.2	177.2	61.2	0	0	124.1
1101	M	24	Very low	28.5	Very low	137 Å²	137	129.4 Å²	129.4	68%	0.675	69%	0.689	S	S	*	*			trans	93.7	128.2	136.3	-93.7	-165.6	-69.7	0	0	122.5
1102	K	25	Very low	28.2	Very low	173 Å²	173	130.7 Å²	130.7	75%	0.752	69%	0.694	S	S	*	*			trans	71.3	158.2	142.5	-72.7	-172.3	177.2	179.6	0	118.5
1103	I	25.3	Very low	28.1	Very low	140 Å²	140	128.2 Å²	128.2	72%	0.718	70%	0.698	S	S	*	*			cis	-172.5	156.4	-37.2	-121	175.2	0	0	0	105.4
1104	S	27.3	Very low	27.8	Very low	98 Å²	98	123.9 Å²	123.9	69%	0.685	70%	0.695	S	S	*	*			trans	71.2	142.8	-175.9	-9	0	0	0	0	113.3
1105	S	24.8	Very low	27.5	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	70%	0.699	S	S	*	*			cis	67.7	158.5	17.1	98.1	0	0	0	0	115.5
1106	P	33	Very low	27.2	Very low	96 Å²	96	124.4 Å²	124.4	62%	0.623	71%	0.707	S	S	*	*			cis	-125.4	-149.1	-6.4	30.3	-6.5	0	0	0	110.7
1107	Q	28.2	Very low	27.1	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.804	71%	0.708	S	S	*	*			trans	73.9	147.4	155	-70.6	168.3	-5.7	0	0	117.3
1108	S	27.7	Very low	27	Very low	92 Å²	92	121.7 Å²	121.7	64%	0.643	70%	0.704	S	S	*	*			cis	-160.5	158.3	-6.7	-122.5	0	0	0	0	112.1
1109	S	27.5	Very low	26.9	Very low	105 Å²	105	119.8 Å²	119.8	73%	0.734	70%	0.703	S	S	*	*			trans	64.3	155	143.8	68	0	0	0	0	119.1
1110	C	25.3	Very low	26.9	Very low	99 Å²	99	123.5 Å²	123.5	67%	0.669	71%	0.713	S	S	*	*			cis	-158.3	138.6	-19.2	-108	0	0	0	0	106.8
1111	L	26.8	Very low	27.1	Very low	143 Å²	143	123.5 Å²	123.5	75%	0.749	71%	0.713	S	S	*	*				55.5	123.9	97	-60.1	-176.4	0	0	0	116.2
1112	L	27	Very low	27.2	Very low	169 Å²	169	121.9 Å²	121.9	89%	0.885	72%	0.715	S	S	*	*			trans	64.6	167	144.8	-85.7	77.5	0	0	0	117.9
1113	G	29.7	Very low	27.4	Very low	71 Å²	71	118.3 Å²	118.3	73%	0.732	71%	0.712	S	S	*	*			trans	100.4	97.4	176.2	0	0	0	0	0	112.1
1114	G	27.8	Very low	27.6	Very low	62 Å²	62	119.1 Å²	119.1	64%	0.639	72%	0.718	S	S	*	*			cis	75.1	108.3	7.7	0	0	0	0	0	111.4
1115	D	26.1	Very low	27.8	Very low	144 Å²	144	119 Å²	119	77%	0.77	72%	0.715	S	S	*	*			cis	-140.2	-128.3	-2.7	-71.6	-72.4	0	0	0	106
1116	N	27.2	Very low	27.8	Very low	135 Å²	135	119.3 Å²	119.3	72%	0.722	71%	0.714	S	S	*	*			trans	50.7	121.3	133.7	-68.7	-36.8	0	0	0	119
1117	N	25.9	Very low	27.4	Very low	128 Å²	128	118.9 Å²	118.9	68%	0.684	71%	0.713	S	S	*	*			cis	-174.7	-167.3	-6.2	-145.9	-56.5	0	0	0	105.2
1118	V	28.3	Very low	27.2	Very low	96 Å²	96	119.4 Å²	119.4	58%	0.582	72%	0.716	S	S	*	*			trans	57.1	104.7	147.3	166.1	0	0	0	0	115
1119	V	25.9	Very low	27	Very low	122 Å²	122	119.4 Å²	119.4	74%	0.739	72%	0.716	S	S	*	*				59.3	154.2	73	-178.9	0	0	0	0	111
1120	Q	26.9	Very low	26.7	Very low	147 Å²	147	118.6 Å²	118.6	69%	0.687	71%	0.71	S	S	*	*			trans	68.3	126.2	178.9	-75.2	162.3	2	0	0	114.2
1121	H	29.5	Very low	26.7	Very low	157 Å²	157	121.1 Å²	121.1	73%	0.727	72%	0.716	S	S	*	*			cis	-148	155	9.1	-93.9	-71.5	0	0	0	111.7
1122	S	27.1	Very low	26.6	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	71%	0.713	S	S	*	*			trans	45.9	142	138.5	69.7	0	0	0	0	120.8
1123	S	29.3	Very low	26.6	Very low	99 Å²	99	119 Å²	119	69%	0.692	71%	0.709	S	S	*	*			cis	-173.8	122.5	7.4	27.3	0	0	0	0	107.8
1124	N	28.8	Very low	26.4	Very low	156 Å²	156	119.4 Å²	119.4	83%	0.834	70%	0.701	S	S	*	*				-32.7	150.9	94.9	-61.4	-7.6	0	0	0	118
1125	P	31.4	Very low	26.5	Very low	96 Å²	96	124.2 Å²	124.2	62%	0.623	71%	0.707	S	S	*	*			cis	-89.2	-144.8	-14.8	43.5	-38	0	0	0	108.8
1126	P	25.5	Very low	26.6	Very low	115 Å²	115	123.7 Å²	123.7	75%	0.747	70%	0.7	S	S	*	*			cis	-70.5	173.8	1.3	29.5	-37.2	0	0	0	113.7
1127	S	23.6	Very low	26.6	Very low	86 Å²	86	122.5 Å²	122.5	60%	0.601	69%	0.693	S	S	*	*			cis	62.6	119	-10.4	79.1	0	0	0	0	122.2
1128	Q	24.4	Very low	26.6	Very low	183 Å²	183	121.7 Å²	121.7	86%	0.855	69%	0.689	S	S	*	*			trans	69.5	152.7	168.9	-60	177.9	6.5	0	0	114.8
1129	S	22.6	Very low	26.5	Very low	92 Å²	92	126.8 Å²	126.8	64%	0.643	70%	0.698	S	S	*	*			cis	-167.9	-169.1	-21.4	60.3	0	0	0	0	108
1130	S	22.4	Very low	26.4	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	70%	0.702	S	S	*	*			trans	77.3	119.8	155.4	-57.2	0	0	0	0	115.4
1131	L	24.8	Very low	26.2	Very low	152 Å²	152	128 Å²	128	80%	0.796	69%	0.694	S	S	*	*				61.8	127.5	93.7	-58.9	165.5	0	0	0	111.8
1132	T	24.4	Very low	26	Very low	112 Å²	112	128.4 Å²	128.4	69%	0.687	70%	0.696	S	S	*	*			cis	-161.7	175.2	18.2	-18.3	0	0	0	0	110.7
1133	I	26.7	Very low	25.9	Very low	154 Å²	154	131 Å²	131	79%	0.79	70%	0.7	S	S	*	*			trans	71.1	124.3	158.9	-63.9	152.4	0	0	0	114.9
1134	S	26.7	Very low	25.8	Very low	81 Å²	81	131.7 Å²	131.7	57%	0.566	70%	0.702	S	S	*	*			cis	-165.8	141.9	-13.3	54.2	0	0	0	0	110.6
1135	Q	28.1	Very low	25.6	Very low	162 Å²	162	127.7 Å²	127.7	76%	0.757	69%	0.691	S	S	*	*			trans	63.7	137.1	145.7	-65.8	-174.4	89.5	0	0	117.7
1136	Q	28.3	Very low	25.3	Very low	134 Å²	134	126.4 Å²	126.4	63%	0.626	68%	0.679	S	S	*	*			cis	-155.5	150.2	7	-127.3	-178.2	41	0	0	110.3
1137	N	28.1	Very low	25.4	Very low	109 Å²	109	123.8 Å²	123.8	58%	0.583	66%	0.661	S	S	*	*			trans	66.2	117	143.5	-67.4	-16.6	0	0	0	118.1
1138	N	26.3	Very low	25.5	Very low	111 Å²	111	125.6 Å²	125.6	59%	0.594	66%	0.664	S	S	*	*				68	136.8	88.4	-68.7	-52.6	0	0	0	112.7
1139	R	24.9	Very low	25.7	Very low	204 Å²	204	122.7 Å²	122.7	77%	0.77	65%	0.653	S	S	*	*			cis	-157.8	147	3.8	-111.4	156.7	-159.1	-172.8	0.9	107.4
1140	R	24.1	Very low	25.8	Very low	221 Å²	221	123 Å²	123	83%	0.834	66%	0.655	S	S	*	*				50	112.4	98.3	-152.4	-159.9	-169.3	-149.5	4.9	114.8
1141	S	23.5	Very low	26	Very low	74 Å²	74	124.7 Å²	124.7	52%	0.517	66%	0.661	S	S	.	*			trans	72.2	146.4	142.2	58.3	0	0	0	0	123
1142	H	25.7	Very low	26.2	Very low	165 Å²	165	125 Å²	125	76%	0.764	66%	0.658	S	S	*	*			trans	77.3	114.9	165.7	-46.1	-66.8	0	0	0	116.1
1143	I	23.5	Very low	26.4	Very low	155 Å²	155	126.4 Å²	126.4	80%	0.795	66%	0.657	S	S	*	*				47.9	124.6	70.2	-56.8	179.3	0	0	0	111.9
1144	P	28.3	Very low	26.4	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	66%	0.656	S	S	*	*			cis	-130.9	-169.9	-1.6	36.2	-15.7	0	0	0	114.8
1145	A	24.8	Very low	26.3	Very low	72 Å²	72	126.3 Å²	126.3	60%	0.595	66%	0.658	S	S	*	*			trans	83.8	98.8	134.1	0	0	0	0	0	124.2
1146	N	25.3	Very low	26.4	Very low	69 Å²	69	126.9 Å²	126.9	37%	0.369	66%	0.66	S	S	.	*				111.3	143.6	107.1	-62.6	-13.2	0	0	0	125	Y788 Q789	Y788-N1146 WeakPolarHBondContact CB-OD1 3.36Å; Q789-N1146 PolarHBondContact N-ND2 3.05Å; Q789-N1146 PolarHBondContact N-OD1 2.84Å; Q789-N1146 WeakPolarHBondContact O-CB 3.39Å; Q789-N1146 PolarHBondContact O-ND2 2.75Å; Q789-N1146 PolarHBondContact OE1-ND2 2.93Å
1147	T	26.9	Very low	26.3	Very low	60 Å²	60	128 Å²	128	37%	0.368	67%	0.669	S	S	.	*			trans	77.6	114.5	150.3	11.9	0	0	0	0	125.2	Y788 R790	Y788-T1147 WeakPolarHBondContact O-CG2 3.37Å; R790-T1147 VanDerWaalsContact N-CG2 3.31Å; R790-T1147 PolarHBondContact N-OG1 3.02Å; R790-T1147 PolarHBondContact O-OG1 2.7Å
1148	N	26.4	Very low	26.3	Very low	124 Å²	124	128 Å²	128	66%	0.663	68%	0.675	S	S	*	*				74.3	135.4	121.1	-90.3	9.9	0	0	0	126
1149	I	27.8	Very low	26.3	Very low	123 Å²	123	131.3 Å²	131.3	63%	0.631	69%	0.687	S	S	*	*			trans	87.5	97.5	137.9	-69.6	166.7	0	0	0	119
1150	S	25	Very low	26.5	Very low	97 Å²	97	131.1 Å²	131.1	68%	0.678	70%	0.695	S	S	*	*				64.9	111.9	125.6	-53.5	0	0	0	0	122.6
1151	V	26.8	Very low	26.5	Very low	125 Å²	125	129.3 Å²	129.3	76%	0.758	70%	0.695	S	S	*	*				34.7	119.1	109.3	-176.4	0	0	0	0	117.4
1152	H	29.2	Very low	26.6	Very low	160 Å²	160	130.6 Å²	130.6	74%	0.741	70%	0.704	S	S	*	*				-150.7	118.1	128.9	-117.8	-87.3	0	0	0	113.3
1153	Q	27.1	Very low	26.8	Very low	141 Å²	141	128.2 Å²	128.2	66%	0.659	69%	0.694	S	S	*	*			trans	45.3	124.8	136.8	-77.2	-177.9	-20.3	0	0	123.4
1154	L	27.3	Very low	27.1	Very low	148 Å²	148	126.1 Å²	126.1	78%	0.775	68%	0.683	S	S	*	*				62.9	139	107.7	-124.2	70.8	0	0	0	117.9
1155	S	25.6	Very low	27.1	Very low	85 Å²	85	124.4 Å²	124.4	59%	0.594	67%	0.674	S	S	*	*			cis	-167.2	176.1	40.6	-51.4	0	0	0	0	114.2
1156	Q	30.2	Very low	27.7	Very low	173 Å²	173	121.5 Å²	121.5	81%	0.808	65%	0.648	S	S	*	*			trans	79.5	108.1	162	-60	169.1	27.6	0	0	116
1157	I	26.2	Very low	28.4	Very low	158 Å²	158	120.7 Å²	120.7	81%	0.81	65%	0.648	S	S	*	*				78.5	122.3	60.8	-65.8	166.1	0	0	0	109.8
1158	P	26.8	Very low	29.3	Very low	108 Å²	108	124.4 Å²	124.4	70%	0.701	66%	0.655	S	S	*	*				-139.5	162	52.5	40.4	-23.3	0	0	0	119.7
1159	Q	27.5	Very low	30.3	Very low	181 Å²	181	119.5 Å²	119.5	85%	0.846	63%	0.631	S	S	*	*			trans	46.2	90	145.2	-66.3	177.8	-9.1	0	0	119.4
1160	Q	28.5	Very low	31.2	Very low	201 Å²	201	115.4 Å²	115.4	94%	0.939	61%	0.611	S	S	*	*			trans	-129.1	116.9	133.6	-71.6	-167.3	-1.8	0	0	109
1161	Q	25.3	Very low	32.6	Very low	182 Å²	182	115.4 Å²	115.4	85%	0.85	60%	0.599	S	S	*	*			trans	-112	155.4	-179.1	-166.3	172.6	8.7	0	0	109
1162	S	25.2	Very low	34.2	Very low	101 Å²	101	109.9 Å²	109.9	71%	0.706	57%	0.565	S	S	*	*			trans	69.9	75.9	173.3	-51.8	0	0	0	0	117
1163	Q	29	Very low	35.5	Very low	116 Å²	116	107.1 Å²	107.1	54%	0.542	55%	0.552	S	S	.	*	S	Bend	trans	-150.4	3	158.2	-142	161.2	95.2	0	0	117.8	T675	T675-Q1163 HydrophobicContact CG2-CG 3.85Å
1164	L	30.1	Very low	37.2	Very low	110 Å²	110	101 Å²	101	58%	0.576	53%	0.527	S	S	*	.			trans	-125.6	51.1	171.9	-72.1	-178.9	0	0	0	112.6	K668 F671	K668-L1164 HydrophobicContact CB-CD2 3.88Å; K668-L1164 HydrophobicContact CD-CD1 4.37Å; K668-L1164 HydrophobicContact CG-CD1 4.31Å; K668-L1164 HydrophobicContact CG-CD2 4.08Å; K668-L1164 WeakPolarHBondContact O-CD2 3.34Å; F671-L1164 VanDerWaalsContact CD2-O 3.24Å; F671-L1164 WeakPolarHBondContact CD2-O 3.37Å; F671-L1164 WeakPolarHBondContact CE2-O 3.18Å
1165	C	28.9	Very low	38.7	Very low	79 Å²	79	97.2 Å²	97.2	53%	0.534	51%	0.506	S	S	.	.			trans	-92.5	0	156	-136.2	0	0	0	0	125.5	L670 F671 S1167	L670-C1165 CarbonylContact C-O 3.57Å; F671-C1165 WeakPolarHBondContact CA-O 3.22Å; F671-C1165 VanDerWaalsContact CB-N 3.31Å; F671-C1165 VanDerWaalsContact CB-O 3.26Å; F671-C1165 WeakPolarHBondContact CB-O 3.45Å; F671-C1165 HydrophobicContact CD1-CB 2.88Å; F671-C1165 WeakPolarHBondContact CD1-O 3.41Å; F671-C1165 HydrophobicContact CD2-CB 3.93Å; F671-C1165 WeakPolarHBondContact CD2-O 3.38Å; F671-C1165 HydrophobicContact CE1-CB 2.61Å; F671-C1165 WeakPolarHBondContact CE1-O 3.46Å; F671-C1165 WeakPolarHBondContact CE1-SG 3.34Å; F671-C1165 HydrophobicContact CE2-CB 3.69Å; F671-C1165 VanDerWaalsContact CE2-N 3.33Å; F671-C1165 HydrophobicContact CG-CB 3.59Å; F671-C1165 WeakPolarHBondContact CG-O 3.45Å; F671-C1165 HydrophobicContact CZ-CB 3.04Å; F671-C1165 WeakPolarHBondContact CZ-O 3.47Å; F671-C1165 WeakPolarHBondContact CZ-SG 3.44Å; F671-C1165 PolarHBondContact N-O 3.05Å; C1165-S1167 PolarHBondContact O-N 2.91Å
1166	P	35.7	Very low	40.4	Very low	10 Å²	10	93.3 Å²	93.3	7%	0.065	48%	0.478	C	S	.	.				0	138.7	0	34.9	-38.4	0	0	0	108.5	H667 L670 F671 R1168 S1169	H667-P1166 VanDerWaalsContact ND1-CD 3.3Å; H667-P1166 WeakPolarHBondContact ND1-CD 3.42Å; L670-P1166 HydrophobicContact CB-CB 3.85Å; L670-P1166 HydrophobicContact CD1-CB 3.83Å; L670-P1166 HydrophobicContact CG-CB 4.5Å; F671-P1166 HydrophobicContact CE2-CG 4.28Å; F671-P1166 HydrophobicContact CZ-CG 4.29Å; P1166-R1168 PolarHBondContact O-N 2.76Å; P1166-S1169 WeakPolarHBondContact CG-OG 3.21Å; P1166-S1169 PolarHBondContact O-N 3.11Å
1167	S	41.4	Very low	41.8	Very low	52 Å²	52	88.4 Å²	88.4	36%	0.364	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	11	175.6	-23.4	0	0	0	0	115.3	Q674 C1165	Q674-S1167 VanDerWaalsContact CD-CB 3.42Å; Q674-S1167 WeakPolarHBondContact CG-OG 3.4Å; Q674-S1167 PolarHBondContact NE2-OG 3.02Å; Q674-S1167 VanDerWaalsContact OE1-CB 3.29Å; Q674-S1167 PolarHBondContact OE1-OG 3.34Å; C1165-S1167 PolarHBondContact O-N 2.91Å
1168	R	45.7	Very low	43.2	Very low	139 Å²	139	81.5 Å²	81.5	53%	0.525	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-1.2	-156.3	-58.5	-168.2	-177	-91.2	3.8	114	P1166 Q1198	P1166-R1168 PolarHBondContact O-N 2.76Å; R1168-Q1198 HydrophobicContact CB-CB 4.09Å; R1168-Q1198 VanDerWaalsContact O-CB 3.3Å; R1168-Q1198 WeakPolarHBondContact O-CB 3.2Å; R1168-Q1198 PolarHBondContact O-N 2.88Å
1169	S	46.2	Very low	44.3	Very low	20 Å²	20	78.9 Å²	78.9	14%	0.14	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.7	170.3	71	0	0	0	0	111.5	P1166 L1196	P1166-S1169 WeakPolarHBondContact CG-OG 3.21Å; P1166-S1169 PolarHBondContact O-N 3.11Å; S1169-L1196 VanDerWaalsContact CA-O 3.25Å; S1169-L1196 WeakPolarHBondContact CA-O 3.38Å
1170	V	47.7	Very low	45.3	Very low	37 Å²	37	72.1 Å²	72.1	22%	0.224	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.5	174	-160.7	0	0	0	0	108.8	L1196 V1204 L1209	V1170-L1196 HydrophobicContact CB-CB 4.5Å; V1170-L1196 PolarHBondContact N-O 2.77Å; V1170-L1196 PolarHBondContact O-N 3.09Å; V1170-V1204 HydrophobicContact CG2-CB 4.14Å; V1170-V1204 HydrophobicContact CG2-CG1 3.63Å; V1170-L1209 HydrophobicContact CB-CD1 3.72Å; V1170-L1209 HydrophobicContact CB-CG 4.18Å; V1170-L1209 HydrophobicContact CG1-CB 3.81Å; V1170-L1209 HydrophobicContact CG1-CD1 3.58Å; V1170-L1209 HydrophobicContact CG1-CG 3.66Å; V1170-L1209 WeakPolarHBondContact O-CD1 3.39Å
1171	F	54.7	Low	46	Very low	97 Å²	97	67.9 Å²	67.9	43%	0.425	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.8	-177.3	-178.2	-99.4	0	0	0	110.4	E1173 R1193 L1194 L1195	F1171-E1173 HydrophobicContact CD1-CB 4.46Å; F1171-E1173 HydrophobicContact CE1-CB 3.6Å; F1171-E1173 HydrophobicContact CZ-CB 3.94Å; F1171-R1193 HydrophobicContact CE2-CB 3.85Å; F1171-R1193 HydrophobicContact CE2-CG 3.99Å; F1171-R1193 HydrophobicContact CZ-CB 4.15Å; F1171-R1193 HydrophobicContact CZ-CG 3.79Å; F1171-L1194 WeakPolarHBondContact CA-O 3.34Å; F1171-L1195 HydrophobicContact CB-CD1 4.46Å; F1171-L1195 HydrophobicContact CD2-CD1 4.21Å
1172	W	59.8	Low	46.8	Very low	9 Å²	9	65.4 Å²	65.4	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.7	163.5	179.3	81.9	0	0	0	109.2	G1174 I1176 R1193 L1194 L1209 W1212 G1213 A1216	W1172-G1174 VanDerWaalsContact CH2-C 3.41Å; W1172-I1176 HydrophobicContact CH2-CG1 3.99Å; W1172-I1176 HydrophobicContact CZ3-CD1 4.41Å; W1172-I1176 HydrophobicContact CZ3-CG1 3.89Å; W1172-R1193 CarbonylContact O-C 3.57Å; W1172-R1193 WeakPolarHBondContact O-CA 3.43Å; W1172-L1194 HydrophobicContact CB-CB 4.25Å; W1172-L1194 HydrophobicContact CB-CD1 4.4Å; W1172-L1194 HydrophobicContact CD2-CD1 4.15Å; W1172-L1194 HydrophobicContact CE3-CB 4.43Å; W1172-L1194 HydrophobicContact CE3-CD1 3.52Å; W1172-L1194 HydrophobicContact CE3-CG 3.75Å; W1172-L1194 HydrophobicContact CZ3-CD1 4.08Å; W1172-L1194 HydrophobicContact CZ3-CG 4.33Å; W1172-L1194 PolarHBondContact N-O 3.06Å; W1172-L1194 PolarHBondContact O-N 2.92Å; W1172-L1209 HydrophobicContact CB-CB 4.12Å; W1172-L1209 HydrophobicContact CB-CD1 3.89Å; W1172-L1209 HydrophobicContact CB-CG 4.4Å; W1172-W1212 HydrophobicContact CD2-CE3 4.33Å; W1172-W1212 HydrophobicContact CG-CE3 4.23Å; W1172-W1212 PolarHBondContact NE1-O 2.9Å; W1172-G1213 WeakPolarHBondContact CZ2-O 3.45Å; W1172-G1213 PolarHBondContact NE1-O 3.38Å; W1172-G1213 VanDerWaalsContact NE1-O 3.08Å; W1172-A1216 HydrophobicContact CH2-CB 3.65Å; W1172-A1216 HydrophobicContact CZ2-CB 3.66Å; W1172-A1216 HydrophobicContact CZ3-CB 4.47Å
1173	E	56.7	Low	47.5	Very low	102 Å²	102	63.3 Å²	63.3	48%	0.477	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126	175	177.5	166.2	-147.5	0	0	107.9	F1171 R1193	F1171-E1173 HydrophobicContact CD1-CB 4.46Å; F1171-E1173 HydrophobicContact CE1-CB 3.6Å; F1171-E1173 HydrophobicContact CZ-CB 3.94Å; E1173-R1193 HydrophobicContact CB-CG 4.29Å; E1173-R1193 HydrophobicContact CG-CG 4.06Å; E1173-R1193 IonicContact OE1-CZ 3.05Å; E1173-R1193 IonicContact OE1-NE 3.28Å; E1173-R1193 PolarHBondContact OE1-NE 2.94Å; E1173-R1193 IonicContact OE1-NH2 3.52Å; E1173-R1193 PolarHBondContact OE1-NH2 2.98Å; E1173-R1193 IonicContact OE2-NE 3.25Å; E1173-R1193 IonicContact OE2-NH2 3.65Å
1174	G	62.3	Low	48	Very low	13 Å²	13	64 Å²	64	13%	0.134	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-175.7	-177	0	0	0	0	0	112.4	W1172 L1192	W1172-G1174 VanDerWaalsContact CH2-C 3.41Å; G1174-L1192 PolarHBondContact N-O 3.49Å; G1174-L1192 PolarHBondContact O-N 3.3Å
1175	E	59.2	Low	48.5	Very low	69 Å²	69	63.2 Å²	63.2	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.7	-179.4	-63.9	179.8	153.3	0	0	110.4	R1189 F1190 P1214 V1215 A1216	E1175-R1189 HydrophobicContact CB-CB 4.31Å; E1175-R1189 IonicContact OE1-NH1 3.66Å; E1175-R1189 WeakPolarHBondContact OE2-CD 3.48Å; E1175-R1189 IonicContact OE2-CZ 3.85Å; E1175-R1189 IonicContact OE2-NE 2.68Å; E1175-R1189 IonicContact OE2-NH1 2.8Å; E1175-R1189 PolarHBondContact OE2-NH1 2.85Å; E1175-F1190 CarbonylContact C-O 2.98Å; E1175-F1190 WeakPolarHBondContact CA-O 3.45Å; E1175-P1214 PolarHBondContact N-O 2.85Å; E1175-V1215 HydrophobicContact CB-CG2 4.45Å; E1175-V1215 VanDerWaalsContact O-CA 3.27Å; E1175-V1215 WeakPolarHBondContact O-CA 3.29Å; E1175-A1216 PolarHBondContact O-N 2.78Å
1176	I	60.6	Low	49.4	Very low	2 Å²	2	64.7 Å²	64.7	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124	167.9	-71.4	-157	0	0	0	109.9	W1172 V1178 R1189 F1190 L1192 A1216 L1218 L1298	W1172-I1176 HydrophobicContact CH2-CG1 3.99Å; W1172-I1176 HydrophobicContact CZ3-CD1 4.41Å; W1172-I1176 HydrophobicContact CZ3-CG1 3.89Å; I1176-V1178 HydrophobicContact CG2-CG2 4.01Å; I1176-R1189 WeakPolarHBondContact O-CA 3.28Å; I1176-F1190 PolarHBondContact N-O 3.28Å; I1176-F1190 PolarHBondContact O-N 3.09Å; I1176-L1192 HydrophobicContact CB-CD1 4.28Å; I1176-L1192 HydrophobicContact CD1-CD1 3.86Å; I1176-L1192 HydrophobicContact CD1-CD2 3.84Å; I1176-L1192 HydrophobicContact CD1-CG 4.35Å; I1176-L1192 HydrophobicContact CG1-CB 4.26Å; I1176-L1192 HydrophobicContact CG1-CD1 4.1Å; I1176-L1192 HydrophobicContact CG1-CD2 4.27Å; I1176-L1192 HydrophobicContact CG1-CG 4.46Å; I1176-A1216 WeakPolarHBondContact CA-O 3.41Å; I1176-L1218 HydrophobicContact CD1-CD1 4.25Å; I1176-L1218 HydrophobicContact CG2-CB 3.55Å; I1176-L1298 HydrophobicContact CD1-CD2 3.72Å
1177	H	60.4	Low	50	Low	70 Å²	70	70 Å²	70	32%	0.324	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.3	162.5	-78	-138.8	0	0	0	108.7	R1189 V1215 A1216 L1218	H1177-R1189 WeakPolarHBondContact NE2-CD 3.36Å; H1177-R1189 PolarHBondContact NE2-NE 2.77Å; H1177-V1215 VanDerWaalsContact CD2-CG1 3.42Å; H1177-V1215 WeakPolarHBondContact CD2-CG1 3.39Å; H1177-A1216 PolarHBondContact N-O 3.04Å; H1177-L1218 PolarHBondContact O-N 3.46Å
1178	V	55.1	Low	50.7	Low	13 Å²	13	70.2 Å²	70.2	8%	0.079	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.3	170.4	-175.8	0	0	0	0	108.6	I1176 F1190 L1218 L1259 L1262	I1176-V1178 HydrophobicContact CG2-CG2 4.01Å; V1178-F1190 HydrophobicContact CB-CE2 4.43Å; V1178-F1190 HydrophobicContact CG2-CD2 3.8Å; V1178-F1190 HydrophobicContact CG2-CE2 3.72Å; V1178-L1218 HydrophobicContact CG2-CD2 4.27Å; V1178-L1259 HydrophobicContact CG2-CD1 3.9Å; V1178-L1262 HydrophobicContact CB-CD1 4.14Å; V1178-L1262 HydrophobicContact CG1-CB 4.15Å; V1178-L1262 HydrophobicContact CG1-CD1 4.25Å; V1178-L1262 HydrophobicContact CG1-CD2 4.28Å; V1178-L1262 HydrophobicContact CG1-CG 4.48Å
1179	V	50.5	Low	51.3	Low	54 Å²	54	70.2 Å²	70.2	33%	0.327	39%	0.387	S	S	.	.			trans	-116.2	124.4	177	-176.5	0	0	0	0	108.1	Q1217	V1179-Q1217 HydrophobicContact CG2-CG 4.42Å
1180	D	48.2	Very low	52	Low	39 Å²	39	69.3 Å²	69.3	21%	0.209	38%	0.381	C	S	.	.			trans	-58.4	133.5	172.6	177.9	-4.5	0	0	0	109.5	N1182 G1183 M1184	D1180-N1182 VanDerWaalsContact CG-ND2 3.32Å; D1180-N1182 PolarHBondContact O-N 3.01Å; D1180-N1182 PolarHBondContact OD1-N 3.33Å; D1180-N1182 PolarHBondContact OD1-ND2 3.09Å; D1180-N1182 WeakPolarHBondContact OD2-CB 3.24Å; D1180-N1182 PolarHBondContact OD2-ND2 2.84Å; D1180-G1183 PolarHBondContact O-N 2.85Å; D1180-M1184 HydrophobicContact CB-CB 4.36Å; D1180-M1184 WeakPolarHBondContact CB-O 3.37Å
1181	P	43.7	Very low	52.4	Low	112 Å²	112	70.1 Å²	70.1	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-22.4	169.5	20.7	-34	0	0	0	114.8	G1183	P1181-G1183 PolarHBondContact O-N 3.46Å
1182	N	42	Very low	52.7	Low	130 Å²	130	65.8 Å²	65.8	70%	0.695	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.6	171.7	-54.9	-59.5	0	0	0	114.2	D1180 M1184	D1180-N1182 VanDerWaalsContact CG-ND2 3.32Å; D1180-N1182 PolarHBondContact O-N 3.01Å; D1180-N1182 PolarHBondContact OD1-N 3.33Å; D1180-N1182 PolarHBondContact OD1-ND2 3.09Å; D1180-N1182 WeakPolarHBondContact OD2-CB 3.24Å; D1180-N1182 PolarHBondContact OD2-ND2 2.84Å; N1182-M1184 VanDerWaalsContact C-N 3.3Å; N1182-M1184 PolarHBondContact O-N 3.41Å
1183	G	40	Very low	52.4	Low	57 Å²	57	70.3 Å²	70.3	59%	0.588	39%	0.385	S	S	*	.			trans	79.4	3.5	-178.6	0	0	0	0	0	115	D1180 P1181 S1185	D1180-G1183 PolarHBondContact O-N 2.85Å; P1181-G1183 PolarHBondContact O-N 3.46Å; G1183-S1185 PolarHBondContact O-N 2.81Å
1184	M	38.3	Very low	52.3	Low	130 Å²	130	65.5 Å²	65.5	64%	0.64	36%	0.362	S	S	*	.			trans	-73.1	111	174.2	-75.5	-164	157.2	0	0	111	D1180 N1182 M1186	D1180-M1184 HydrophobicContact CB-CB 4.36Å; D1180-M1184 WeakPolarHBondContact CB-O 3.37Å; N1182-M1184 VanDerWaalsContact C-N 3.3Å; N1182-M1184 PolarHBondContact O-N 3.41Å; M1184-M1186 VanDerWaalsContact C-N 3.27Å; M1184-M1186 PolarHBondContact O-N 3.15Å
1185	S	41.5	Very low	51.8	Low	93 Å²	93	66.3 Å²	66.3	65%	0.65	36%	0.363	S	S	*	.			trans	-75.5	72.5	177.7	174.4	0	0	0	0	111.7	G1183 T1187	G1183-S1185 PolarHBondContact O-N 2.81Å; S1185-T1187 PolarHBondContact O-N 3.33Å
1186	M	46.8	Very low	51.5	Low	111 Å²	111	63 Å²	63	55%	0.547	35%	0.348	S	S	.	.			trans	-67.1	119.4	169.2	-66	-62.2	-76.7	0	0	109.4	M1184 N1188	M1184-M1186 VanDerWaalsContact C-N 3.27Å; M1184-M1186 PolarHBondContact O-N 3.15Å; M1186-N1188 PolarHBondContact O-N 3.16Å
1187	T	49.7	Very low	50.8	Low	122 Å²	122	65.4 Å²	65.4	75%	0.748	36%	0.359	S	S	*	.			trans	-80.4	34.8	-164.7	52.6	0	0	0	0	114.8	S1185 R1189	S1185-T1187 PolarHBondContact O-N 3.33Å; T1187-R1189 PolarHBondContact O-N 3.2Å
1188	N	54.7	Low	50.2	Low	56 Å²	56	63.9 Å²	63.9	30%	0.299	35%	0.352	S	S	.	.			trans	-83.2	110.9	178.3	-67.6	2.7	0	0	0	109.3	M1186 F1190 L1262	M1186-N1188 PolarHBondContact O-N 3.16Å; N1188-F1190 HydrophobicContact CB-CE1 4.39Å; N1188-F1190 HydrophobicContact CB-CE2 3.84Å; N1188-F1190 HydrophobicContact CB-CZ 3.63Å; N1188-L1262 HydrophobicContact CB-CD1 4.25Å
1189	R	58.8	Low	49.7	Very low	138 Å²	138	65.6 Å²	65.6	52%	0.521	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123	170.5	-56.9	-162.6	-163.2	172.4	4.6	108.8	E1175 I1176 H1177 T1187	E1175-R1189 HydrophobicContact CB-CB 4.31Å; E1175-R1189 IonicContact OE1-NH1 3.66Å; E1175-R1189 WeakPolarHBondContact OE2-CD 3.48Å; E1175-R1189 IonicContact OE2-CZ 3.85Å; E1175-R1189 IonicContact OE2-NE 2.68Å; E1175-R1189 IonicContact OE2-NH1 2.8Å; E1175-R1189 PolarHBondContact OE2-NH1 2.85Å; I1176-R1189 WeakPolarHBondContact O-CA 3.28Å; H1177-R1189 WeakPolarHBondContact NE2-CD 3.36Å; H1177-R1189 PolarHBondContact NE2-NE 2.77Å; T1187-R1189 PolarHBondContact O-N 3.2Å
1190	F	60.4	Low	49.3	Very low	2 Å²	2	65.5 Å²	65.5	1%	0.009	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.5	176.7	-60.4	-70.8	0	0	0	109.8	E1175 I1176 V1178 N1188 L1192 L1250 D1255 N1258 L1259 L1262	E1175-F1190 CarbonylContact C-O 2.98Å; E1175-F1190 WeakPolarHBondContact CA-O 3.45Å; I1176-F1190 PolarHBondContact N-O 3.28Å; I1176-F1190 PolarHBondContact O-N 3.09Å; V1178-F1190 HydrophobicContact CB-CE2 4.43Å; V1178-F1190 HydrophobicContact CG2-CD2 3.8Å; V1178-F1190 HydrophobicContact CG2-CE2 3.72Å; N1188-F1190 HydrophobicContact CB-CE1 4.39Å; N1188-F1190 HydrophobicContact CB-CE2 3.84Å; N1188-F1190 HydrophobicContact CB-CZ 3.63Å; F1190-L1192 HydrophobicContact CB-CD1 4.48Å; F1190-L1192 WeakPolarHBondContact O-CB 3.35Å; F1190-L1192 PolarHBondContact O-N 2.96Å; F1190-L1250 HydrophobicContact CB-CD2 4.31Å; F1190-D1255 HydrophobicContact CD1-CB 4Å; F1190-D1255 HydrophobicContact CE1-CB 4.41Å; F1190-N1258 HydrophobicContact CE1-CB 3.6Å; F1190-N1258 HydrophobicContact CZ-CB 3.76Å; F1190-L1259 HydrophobicContact CD2-CD1 4.18Å; F1190-L1259 HydrophobicContact CE1-CB 4.45Å; F1190-L1259 HydrophobicContact CE2-CD1 4.18Å; F1190-L1259 HydrophobicContact CZ-CB 4.37Å; F1190-L1262 HydrophobicContact CE2-CD1 3.68Å; F1190-L1262 HydrophobicContact CZ-CD1 3.75Å
1191	P	56.6	Low	48.9	Very low	53 Å²	53	70.9 Å²	70.9	34%	0.344	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	118.2	169.2	29.1	-32.8	0	0	0	108.1	L1251	P1191-L1251 HydrophobicContact CB-CD1 3.98Å; P1191-L1251 HydrophobicContact CG-CD1 3.87Å
1192	L	60.6	Low	48.7	Very low	7 Å²	7	72.9 Å²	72.9	4%	0.037	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.9	-159.5	-167.1	151.4	0	0	0	111.6	G1174 I1176 F1190 L1194 V1248 L1250	G1174-L1192 PolarHBondContact N-O 3.49Å; G1174-L1192 PolarHBondContact O-N 3.3Å; I1176-L1192 HydrophobicContact CB-CD1 4.28Å; I1176-L1192 HydrophobicContact CD1-CD1 3.86Å; I1176-L1192 HydrophobicContact CD1-CD2 3.84Å; I1176-L1192 HydrophobicContact CD1-CG 4.35Å; I1176-L1192 HydrophobicContact CG1-CB 4.26Å; I1176-L1192 HydrophobicContact CG1-CD1 4.1Å; I1176-L1192 HydrophobicContact CG1-CD2 4.27Å; I1176-L1192 HydrophobicContact CG1-CG 4.46Å; F1190-L1192 HydrophobicContact CB-CD1 4.48Å; F1190-L1192 WeakPolarHBondContact O-CB 3.35Å; F1190-L1192 PolarHBondContact O-N 2.96Å; L1192-L1194 HydrophobicContact CD2-CD2 3.26Å; L1192-L1194 HydrophobicContact CD2-CG 3.63Å; L1192-V1248 HydrophobicContact CD1-CG1 3.69Å; L1192-V1248 HydrophobicContact CD2-CG1 4.28Å; L1192-V1248 HydrophobicContact CD2-CG2 4.26Å; L1192-V1248 HydrophobicContact CG-CG1 3.9Å; L1192-L1250 HydrophobicContact CD1-CD2 4.06Å; L1192-L1250 HydrophobicContact CG-CD2 4.46Å
1193	R	53.8	Low	48.7	Very low	103 Å²	103	72.3 Å²	72.3	39%	0.389	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.2	174.9	-63	173.5	168.3	-179.6	-4.5	110.2	F1171 W1172 E1173 L1247 V1248 D1249	F1171-R1193 HydrophobicContact CE2-CB 3.85Å; F1171-R1193 HydrophobicContact CE2-CG 3.99Å; F1171-R1193 HydrophobicContact CZ-CB 4.15Å; F1171-R1193 HydrophobicContact CZ-CG 3.79Å; W1172-R1193 CarbonylContact O-C 3.57Å; W1172-R1193 WeakPolarHBondContact O-CA 3.43Å; E1173-R1193 HydrophobicContact CB-CG 4.29Å; E1173-R1193 HydrophobicContact CG-CG 4.06Å; E1173-R1193 IonicContact OE1-CZ 3.05Å; E1173-R1193 IonicContact OE1-NE 3.28Å; E1173-R1193 PolarHBondContact OE1-NE 2.94Å; E1173-R1193 IonicContact OE1-NH2 3.52Å; E1173-R1193 PolarHBondContact OE1-NH2 2.98Å; E1173-R1193 IonicContact OE2-NE 3.25Å; E1173-R1193 IonicContact OE2-NH2 3.65Å; R1193-L1247 VanDerWaalsContact O-O 3.06Å; R1193-V1248 WeakPolarHBondContact O-CA 3.18Å; R1193-D1249 HydrophobicContact CB-CB 3.99Å; R1193-D1249 WeakPolarHBondContact CD-OD2 3.42Å; R1193-D1249 HydrophobicContact CG-CB 4.41Å; R1193-D1249 PolarHBondContact O-N 3.3Å
1194	L	55	Low	49	Very low	1 Å²	1	70.1 Å²	70.1	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.6	173.8	-58.6	172.6	0	0	0	109.1	F1171 W1172 L1192 L1196 W1212 L1246 L1247 V1248 L1298	F1171-L1194 WeakPolarHBondContact CA-O 3.34Å; W1172-L1194 HydrophobicContact CB-CB 4.25Å; W1172-L1194 HydrophobicContact CB-CD1 4.4Å; W1172-L1194 HydrophobicContact CD2-CD1 4.15Å; W1172-L1194 HydrophobicContact CE3-CB 4.43Å; W1172-L1194 HydrophobicContact CE3-CD1 3.52Å; W1172-L1194 HydrophobicContact CE3-CG 3.75Å; W1172-L1194 HydrophobicContact CZ3-CD1 4.08Å; W1172-L1194 HydrophobicContact CZ3-CG 4.33Å; W1172-L1194 PolarHBondContact N-O 3.06Å; W1172-L1194 PolarHBondContact O-N 2.92Å; L1192-L1194 HydrophobicContact CD2-CD2 3.26Å; L1192-L1194 HydrophobicContact CD2-CG 3.63Å; L1194-L1196 HydrophobicContact CB-CD1 4.18Å; L1194-W1212 HydrophobicContact CD1-CE3 4.37Å; L1194-W1212 HydrophobicContact CD1-CZ3 3.69Å; L1194-L1246 HydrophobicContact CB-CD1 4.08Å; L1194-L1246 HydrophobicContact CD2-CD1 3.67Å; L1194-L1246 HydrophobicContact CD2-CD2 4.1Å; L1194-L1246 HydrophobicContact CD2-CG 3.8Å; L1194-L1246 HydrophobicContact CG-CD1 4.3Å; L1194-L1247 WeakPolarHBondContact CA-O 3.26Å; L1194-V1248 HydrophobicContact CD2-CG2 4.1Å; L1194-L1298 HydrophobicContact CD1-CD1 3.64Å; L1194-L1298 HydrophobicContact CD1-CD2 4.31Å; L1194-L1298 HydrophobicContact CD2-CD1 4.26Å
1195	L	52.5	Low	49	Very low	30 Å²	30	68.5 Å²	68.5	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.5	166.7	-163.8	77.8	0	0	0	109.8	F1171 E1197 L1247	F1171-L1195 HydrophobicContact CB-CD1 4.46Å; F1171-L1195 HydrophobicContact CD2-CD1 4.21Å; L1195-E1197 HydrophobicContact CD2-CG 4.06Å; L1195-E1197 HydrophobicContact CG-CG 4.47Å; L1195-L1247 HydrophobicContact CB-CB 4.03Å; L1195-L1247 HydrophobicContact CB-CD1 4.25Å; L1195-L1247 HydrophobicContact CB-CG 4.35Å; L1195-L1247 HydrophobicContact CD2-CD1 3.86Å; L1195-L1247 PolarHBondContact N-O 3.33Å; L1195-L1247 PolarHBondContact O-N 3.41Å
1196	L	51.7	Low	49.1	Very low	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	92.3	175.5	-90.2	72.2	0	0	0	111.2	S1169 V1170 L1194 I1207 L1209 A1244 R1245 L1246 F1308	S1169-L1196 VanDerWaalsContact CA-O 3.25Å; S1169-L1196 WeakPolarHBondContact CA-O 3.38Å; V1170-L1196 HydrophobicContact CB-CB 4.5Å; V1170-L1196 PolarHBondContact N-O 2.77Å; V1170-L1196 PolarHBondContact O-N 3.09Å; L1194-L1196 HydrophobicContact CB-CD1 4.18Å; L1196-I1207 HydrophobicContact CD2-CD1 4.1Å; L1196-I1207 HydrophobicContact CD2-CG2 4.17Å; L1196-L1209 HydrophobicContact CD1-CD1 3.93Å; L1196-L1209 HydrophobicContact CD2-CD1 4.43Å; L1196-A1244 HydrophobicContact CB-CB 4.18Å; L1196-A1244 HydrophobicContact CD2-CB 4.1Å; L1196-A1244 HydrophobicContact CG-CB 3.91Å; L1196-R1245 WeakPolarHBondContact CA-O 3.1Å; L1196-L1246 HydrophobicContact CD1-CD1 3.46Å; L1196-L1246 VanDerWaalsContact CD1-CD1 3.46Å; L1196-L1246 HydrophobicContact CG-CD1 4.31Å; L1196-F1308 HydrophobicContact CD1-CE1 4.24Å; L1196-F1308 HydrophobicContact CD1-CZ 4.32Å; L1196-F1308 HydrophobicContact CD2-CE1 4.06Å; L1196-F1308 HydrophobicContact CD2-CZ 4.15Å; L1196-F1308 HydrophobicContact CG-CE1 3.99Å; L1196-F1308 HydrophobicContact CG-CZ 4.38Å
1197	E	46	Very low	49.3	Very low	52 Å²	52	67.3 Å²	67.3	24%	0.243	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.4	174.1	-55.9	-174.2	146.2	0	0	112.1	L1195 C1199 A1244 R1245	L1195-E1197 HydrophobicContact CD2-CG 4.06Å; L1195-E1197 HydrophobicContact CG-CG 4.47Å; E1197-C1199 PolarHBondContact O-N 2.83Å; E1197-A1244 WeakPolarHBondContact O-CA 3.29Å; E1197-R1245 HydrophobicContact CB-CB 4.17Å; E1197-R1245 PolarHBondContact O-N 2.88Å; E1197-R1245 WeakPolarHBondContact OE2-CD 3.49Å; E1197-R1245 IonicContact OE2-CZ 3.53Å; E1197-R1245 IonicContact OE2-NE 3.17Å; E1197-R1245 IonicContact OE2-NH1 3.91Å; E1197-R1245 PolarHBondContact OE2-NH1 3.32Å
1198	Q	47.9	Very low	49.3	Very low	39 Å²	39	64.6 Å²	64.6	18%	0.182	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-71.7	115.3	179	-176.7	-174.1	47.7	0	0	113	R1168 A1200 R1202 V1204	R1168-Q1198 HydrophobicContact CB-CB 4.09Å; R1168-Q1198 VanDerWaalsContact O-CB 3.3Å; R1168-Q1198 WeakPolarHBondContact O-CB 3.2Å; R1168-Q1198 PolarHBondContact O-N 2.88Å; Q1198-A1200 WeakPolarHBondContact CG-O 3.41Å; Q1198-R1202 PolarHBondContact NE2-O 3.36Å; Q1198-V1204 HydrophobicContact CB-CG2 3.71Å; Q1198-V1204 HydrophobicContact CG-CG2 3.72Å
1199	C	44.3	Very low	49.3	Very low	49 Å²	49	62 Å²	62	33%	0.331	32%	0.32	S	S	.	.			trans	-97.7	-5	178.4	-54.4	0	0	0	0	115.4	E1197 L1243	E1197-C1199 PolarHBondContact O-N 2.83Å; C1199-L1243 HydrophobicContact CB-CB 3.82Å; C1199-L1243 PolarHBondContact N-O 2.61Å; C1199-L1243 VanDerWaalsContact N-O 3.15Å
1200	A	43.8	Very low	49	Very low	51 Å²	51	64 Å²	64	42%	0.421	34%	0.335	S	S	.	.	S	Bend	trans	-152	169.8	-175.4	0	0	0	0	0	114.4	Q1198 R1202 L1243	Q1198-A1200 WeakPolarHBondContact CG-O 3.41Å; A1200-R1202 VanDerWaalsContact C-N 3.26Å; A1200-R1202 PolarHBondContact O-N 2.93Å; A1200-L1243 HydrophobicContact CB-CD1 4.42Å
1201	V	39	Very low	48.6	Very low	152 Å²	152	68.3 Å²	68.3	92%	0.921	36%	0.356	S	S	*	.	S	Bend	trans	-78.2	53.8	-169.5	-159.6	0	0	0	0	113.8
1202	R	39.2	Very low	48.7	Very low	154 Å²	154	66.5 Å²	66.5	58%	0.581	34%	0.342	S	S	*	.	S	Bend	trans	-140.9	146.5	166.4	-76.3	-166.3	174.3	-161.8	-3.8	111.1	Q1198 A1200 V1204	Q1198-R1202 PolarHBondContact NE2-O 3.36Å; A1200-R1202 VanDerWaalsContact C-N 3.26Å; A1200-R1202 PolarHBondContact O-N 2.93Å; R1202-V1204 PolarHBondContact O-N 2.9Å
1203	D	42.7	Very low	48.5	Very low	119 Å²	119	67.4 Å²	67.4	64%	0.636	35%	0.353	S	S	*	.			trans	-67.1	124.4	-175.3	-64.2	-53.4	0	0	0	112.7	S1205	D1203-S1205 WeakPolarHBondContact CB-OG 3.25Å; D1203-S1205 PolarHBondContact O-N 3.31Å
1204	V	46.4	Very low	48.6	Very low	10 Å²	10	67.3 Å²	67.3	6%	0.061	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-74.6	-7	172.9	-163.1	0	0	0	0	111.6	V1170 Q1198 R1202 Q1206 I1207 L1242	V1170-V1204 HydrophobicContact CG2-CB 4.14Å; V1170-V1204 HydrophobicContact CG2-CG1 3.63Å; Q1198-V1204 HydrophobicContact CB-CG2 3.71Å; Q1198-V1204 HydrophobicContact CG-CG2 3.72Å; R1202-V1204 PolarHBondContact O-N 2.9Å; V1204-Q1206 PolarHBondContact O-N 3.33Å; V1204-I1207 HydrophobicContact CG1-CB 4.38Å; V1204-I1207 PolarHBondContact O-N 3.19Å; V1204-L1242 HydrophobicContact CG1-CD1 4.46Å; V1204-L1242 HydrophobicContact CG1-CD2 4.23Å; V1204-L1242 HydrophobicContact CG2-CD2 4.4Å
1205	S	38	Very low	48.6	Very low	96 Å²	96	70.3 Å²	70.3	67%	0.671	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-58	-18.1	177	63.2	0	0	0	0	114.5	D1203	D1203-S1205 WeakPolarHBondContact CB-OG 3.25Å; D1203-S1205 PolarHBondContact O-N 3.31Å
1206	Q	43.6	Very low	49	Very low	165 Å²	165	69 Å²	69	77%	0.771	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-76	-22.9	172	-60.9	-167.7	7	0	0	113.4	V1204 N1208	V1204-Q1206 PolarHBondContact O-N 3.33Å; Q1206-N1208 PolarHBondContact O-N 3.33Å
1207	I	50.1	Low	49.2	Very low	14 Å²	14	72.6 Å²	72.6	7%	0.072	40%	0.395	C	S	.	.	S	Bend	trans	-89.5	78.9	167.1	-53.5	-173.8	0	0	0	108	L1196 V1204 L1209 W1212 L1242	L1196-I1207 HydrophobicContact CD2-CD1 4.1Å; L1196-I1207 HydrophobicContact CD2-CG2 4.17Å; V1204-I1207 HydrophobicContact CG1-CB 4.38Å; V1204-I1207 PolarHBondContact O-N 3.19Å; I1207-L1209 VanDerWaalsContact C-N 3.33Å; I1207-L1209 HydrophobicContact CG2-CD2 3.58Å; I1207-L1209 HydrophobicContact CG2-CG 4.06Å; I1207-L1209 PolarHBondContact O-N 3.38Å; I1207-W1212 HydrophobicContact CG2-CZ2 4.42Å; I1207-L1242 HydrophobicContact CD1-CD1 3.75Å; I1207-L1242 HydrophobicContact CD1-CD2 3.9Å; I1207-L1242 HydrophobicContact CD1-CG 4.27Å; I1207-L1242 HydrophobicContact CG1-CD1 3.95Å
1208	N	50.2	Low	49.8	Very low	66 Å²	66	70.9 Å²	70.9	35%	0.353	39%	0.387	S	S	.	.			trans	-73.6	89.5	169.8	-173.8	-5.6	0	0	0	110.1	Q1206 Q1210 M1211	Q1206-N1208 PolarHBondContact O-N 3.33Å; N1208-Q1210 PolarHBondContact O-N 3.05Å; N1208-Q1210 WeakPolarHBondContact OD1-CA 2.95Å; N1208-Q1210 VanDerWaalsContact OD1-CB 3.26Å; N1208-Q1210 WeakPolarHBondContact OD1-CB 3.5Å; N1208-Q1210 PolarHBondContact OD1-N 2.94Å; N1208-M1211 HydrophobicContact CB-CE 4.3Å; N1208-M1211 HydrophobicContact CB-CG 4.05Å; N1208-M1211 WeakPolarHBondContact O-CB 3.48Å; N1208-M1211 PolarHBondContact O-N 3.1Å; N1208-M1211 VanDerWaalsContact O-N 3.09Å
1209	L	55.2	Low	50.1	Low	2 Å²	2	70.1 Å²	70.1	1%	0.01	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-63.3	-20	173.9	-65.2	-176.7	0	0	0	113.2	V1170 W1172 L1196 I1207 M1211 W1212	V1170-L1209 HydrophobicContact CB-CD1 3.72Å; V1170-L1209 HydrophobicContact CB-CG 4.18Å; V1170-L1209 HydrophobicContact CG1-CB 3.81Å; V1170-L1209 HydrophobicContact CG1-CD1 3.58Å; V1170-L1209 HydrophobicContact CG1-CG 3.66Å; V1170-L1209 WeakPolarHBondContact O-CD1 3.39Å; W1172-L1209 HydrophobicContact CB-CB 4.12Å; W1172-L1209 HydrophobicContact CB-CD1 3.89Å; W1172-L1209 HydrophobicContact CB-CG 4.4Å; L1196-L1209 HydrophobicContact CD1-CD1 3.93Å; L1196-L1209 HydrophobicContact CD2-CD1 4.43Å; I1207-L1209 VanDerWaalsContact C-N 3.33Å; I1207-L1209 HydrophobicContact CG2-CD2 3.58Å; I1207-L1209 HydrophobicContact CG2-CG 4.06Å; I1207-L1209 PolarHBondContact O-N 3.38Å; L1209-M1211 PolarHBondContact O-N 3.44Å; L1209-W1212 HydrophobicContact CD2-CD2 3.63Å; L1209-W1212 VanDerWaalsContact CD2-CE2 3.43Å; L1209-W1212 HydrophobicContact CD2-CE3 3.87Å; L1209-W1212 HydrophobicContact CD2-CG 4.26Å; L1209-W1212 HydrophobicContact CD2-CH2 3.77Å; L1209-W1212 HydrophobicContact CD2-CZ2 3.52Å; L1209-W1212 HydrophobicContact CD2-CZ3 3.94Å; L1209-W1212 VanDerWaalsContact O-CB 3.29Å; L1209-W1212 WeakPolarHBondContact O-CB 3.47Å; L1209-W1212 PolarHBondContact O-N 3.39Å
1210	Q	51.9	Low	50.6	Low	178 Å²	178	70.4 Å²	70.4	83%	0.832	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-71	-13.8	173.5	-54.8	179.3	-39	0	0	112.4	N1208 W1212	N1208-Q1210 PolarHBondContact O-N 3.05Å; N1208-Q1210 WeakPolarHBondContact OD1-CA 2.95Å; N1208-Q1210 VanDerWaalsContact OD1-CB 3.26Å; N1208-Q1210 WeakPolarHBondContact OD1-CB 3.5Å; N1208-Q1210 PolarHBondContact OD1-N 2.94Å; Q1210-W1212 VanDerWaalsContact C-N 3.34Å
1211	M	52.7	Low	51.1	Low	94 Å²	94	71 Å²	71	46%	0.463	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-77	-22.3	165.8	-61	-166.1	-50.2	0	0	112.3	N1208 L1209 G1213 Y1300	N1208-M1211 HydrophobicContact CB-CE 4.3Å; N1208-M1211 HydrophobicContact CB-CG 4.05Å; N1208-M1211 WeakPolarHBondContact O-CB 3.48Å; N1208-M1211 PolarHBondContact O-N 3.1Å; N1208-M1211 VanDerWaalsContact O-N 3.09Å; L1209-M1211 PolarHBondContact O-N 3.44Å; M1211-G1213 PolarHBondContact O-N 3.36Å; M1211-Y1300 HydrophobicContact CB-CE1 4.44Å; M1211-Y1300 WeakPolarHBondContact O-CE1 3.26Å; M1211-Y1300 PolarHBondContact O-OH 2.96Å
1212	W	58.6	Low	51.7	Low	14 Å²	14	70 Å²	70	5%	0.053	37%	0.365	C	S	.	.	S	Bend	trans	-70.9	121.1	179	-64	19.9	0	0	0	107.6	W1172 L1194 I1207 L1209 Q1210 L1298 Y1300 H1306	W1172-W1212 HydrophobicContact CD2-CE3 4.33Å; W1172-W1212 HydrophobicContact CG-CE3 4.23Å; W1172-W1212 PolarHBondContact NE1-O 2.9Å; L1194-W1212 HydrophobicContact CD1-CE3 4.37Å; L1194-W1212 HydrophobicContact CD1-CZ3 3.69Å; I1207-W1212 HydrophobicContact CG2-CZ2 4.42Å; L1209-W1212 HydrophobicContact CD2-CD2 3.63Å; L1209-W1212 VanDerWaalsContact CD2-CE2 3.43Å; L1209-W1212 HydrophobicContact CD2-CE3 3.87Å; L1209-W1212 HydrophobicContact CD2-CG 4.26Å; L1209-W1212 HydrophobicContact CD2-CH2 3.77Å; L1209-W1212 HydrophobicContact CD2-CZ2 3.52Å; L1209-W1212 HydrophobicContact CD2-CZ3 3.94Å; L1209-W1212 VanDerWaalsContact O-CB 3.29Å; L1209-W1212 WeakPolarHBondContact O-CB 3.47Å; L1209-W1212 PolarHBondContact O-N 3.39Å; Q1210-W1212 VanDerWaalsContact C-N 3.34Å; W1212-L1298 HydrophobicContact CH2-CB 3.71Å; W1212-L1298 HydrophobicContact CH2-CD1 3.94Å; W1212-L1298 HydrophobicContact CH2-CG 4.33Å; W1212-L1298 HydrophobicContact CZ3-CB 4Å; W1212-L1298 HydrophobicContact CZ3-CD1 3.91Å; W1212-L1298 HydrophobicContact CZ3-CD2 4.28Å; W1212-L1298 HydrophobicContact CZ3-CG 4.28Å; W1212-Y1300 HydrophobicContact CB-CD2 4.15Å; W1212-Y1300 HydrophobicContact CB-CE2 4.4Å; W1212-Y1300 HydrophobicContact CB-CG 4.39Å; W1212-Y1300 AromaticContact CD1-CD1 3.6Å; W1212-Y1300 AromaticContact CD1-CG 3.73Å; W1212-Y1300 HydrophobicContact CD2-CG 4.43Å; W1212-Y1300 HydrophobicContact CG-CD1 4.21Å; W1212-Y1300 HydrophobicContact CG-CD2 4.16Å; W1212-Y1300 AromaticContact CG-CG 3.92Å; W1212-Y1300 HydrophobicContact CG-CG 3.92Å; W1212-H1306 HydrophobicContact CZ2-CB 4.41Å; W1212-H1306 AromaticContact CZ2-CD2 3.81Å
1213	G	55.3	Low	52.4	Low	26 Å²	26	63.3 Å²	63.3	27%	0.268	34%	0.342	S	S	.	.			trans	-63.6	177.5	179.1	0	0	0	0	0	112.1	W1172 M1211 V1215	W1172-G1213 WeakPolarHBondContact CZ2-O 3.45Å; W1172-G1213 PolarHBondContact NE1-O 3.38Å; W1172-G1213 VanDerWaalsContact NE1-O 3.08Å; M1211-G1213 PolarHBondContact O-N 3.36Å; G1213-V1215 PolarHBondContact O-N 3.35Å
1214	P	56.1	Low	53	Low	102 Å²	102	64.5 Å²	64.5	66%	0.662	34%	0.339	S	S	*	.	S	Bend	trans	-66	0.6	178.2	30.1	-37.1	0	0	0	113.8	E1175	E1175-P1214 PolarHBondContact N-O 2.85Å
1215	V	55.1	Low	53.5	Low	63 Å²	63	67.5 Å²	67.5	38%	0.382	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.9	174.7	-178.2	0	0	0	0	110	E1175 H1177 G1213	E1175-V1215 HydrophobicContact CB-CG2 4.45Å; E1175-V1215 VanDerWaalsContact O-CA 3.27Å; E1175-V1215 WeakPolarHBondContact O-CA 3.29Å; H1177-V1215 VanDerWaalsContact CD2-CG1 3.42Å; H1177-V1215 WeakPolarHBondContact CD2-CG1 3.39Å; G1213-V1215 PolarHBondContact O-N 3.35Å
1216	A	60.6	Low	54.3	Low	3 Å²	3	67 Å²	67	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.7	171	0	0	0	0	0	111.1	W1172 E1175 I1176 H1177 L1298	W1172-A1216 HydrophobicContact CH2-CB 3.65Å; W1172-A1216 HydrophobicContact CZ2-CB 3.66Å; W1172-A1216 HydrophobicContact CZ3-CB 4.47Å; E1175-A1216 PolarHBondContact O-N 2.78Å; I1176-A1216 WeakPolarHBondContact CA-O 3.41Å; H1177-A1216 PolarHBondContact N-O 3.04Å; A1216-L1298 HydrophobicContact CB-CD2 4.41Å
1217	Q	56.2	Low	54.9	Low	75 Å²	75	60.6 Å²	60.6	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.4	175.1	178.6	177.5	-0	0	0	109.9	V1179 I1299	V1179-Q1217 HydrophobicContact CG2-CG 4.42Å; Q1217-I1299 HydrophobicContact CB-CB 4.25Å; Q1217-I1299 PolarHBondContact N-O 3.06Å; Q1217-I1299 PolarHBondContact O-N 3.28Å
1218	L	60	Low	55	Low	16 Å²	16	65.4 Å²	65.4	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.6	168.2	-165.9	83.2	0	0	0	109	I1176 H1177 V1178 L1263 I1296 L1298	I1176-L1218 HydrophobicContact CD1-CD1 4.25Å; I1176-L1218 HydrophobicContact CG2-CB 3.55Å; H1177-L1218 PolarHBondContact O-N 3.46Å; V1178-L1218 HydrophobicContact CG2-CD2 4.27Å; L1218-L1263 HydrophobicContact CD2-CD2 4.35Å; L1218-I1296 HydrophobicContact CD1-CG2 3.62Å; L1218-I1296 HydrophobicContact CG-CG2 4.32Å; L1218-L1298 HydrophobicContact CD1-CD2 3.95Å; L1218-L1298 HydrophobicContact CD1-CG 4.24Å
1219	S	52.4	Low	55.2	Low	23 Å²	23	65.6 Å²	65.6	16%	0.161	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.7	172.4	-63.6	0	0	0	0	111.1	C1297 I1299	S1219-C1297 PolarHBondContact N-O 2.81Å; S1219-C1297 PolarHBondContact O-N 2.92Å; S1219-I1299 WeakPolarHBondContact OG-CD1 3.29Å
1220	I	54.9	Low	55.3	Low	56 Å²	56	65.5 Å²	65.5	29%	0.287	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.8	171.7	-38.4	172.5	0	0	0	107.8	Q1222 L1263 F1295	I1220-Q1222 HydrophobicContact CG2-CG 4.37Å; I1220-L1263 HydrophobicContact CD1-CD2 3.5Å; I1220-L1263 HydrophobicContact CG1-CD2 3.85Å; I1220-F1295 CarbonylContact C-O 3.57Å; I1220-F1295 WeakPolarHBondContact CA-O 3.46Å
1221	I	54.4	Low	55.3	Low	62 Å²	62	60.9 Å²	60.9	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.2	167.1	-56.7	-178.1	0	0	0	107.3	L1229 F1295	I1221-L1229 HydrophobicContact CG2-CD1 4.34Å; I1221-F1295 HydrophobicContact CB-CB 4.36Å; I1221-F1295 PolarHBondContact N-O 3.18Å; I1221-F1295 PolarHBondContact O-N 3.41Å
1222	Q	51.9	Low	55.2	Low	133 Å²	133	64.7 Å²	64.7	62%	0.621	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	127	165.7	-64.1	-174.1	10.1	0	0	108.8	I1220 T1292 V1293	I1220-Q1222 HydrophobicContact CG2-CG 4.37Å; Q1222-T1292 HydrophobicContact CB-CG2 4Å; Q1222-V1293 WeakPolarHBondContact CA-O 3.41Å
1223	A	54.2	Low	54.9	Low	13 Å²	13	66.1 Å²	66.1	11%	0.107	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.8	178	0	0	0	0	0	110.8	L1229 V1230 V1293 F1295	A1223-L1229 HydrophobicContact CB-CD2 4.41Å; A1223-V1230 HydrophobicContact CB-CG2 4.44Å; A1223-V1293 PolarHBondContact N-O 3.21Å; A1223-V1293 PolarHBondContact O-N 3.12Å; A1223-F1295 HydrophobicContact CB-CD2 4.48Å; A1223-F1295 HydrophobicContact CB-CE2 4.25Å
1224	Y	55.7	Low	54.5	Low	144 Å²	144	65.9 Å²	65.9	57%	0.565	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	146.9	175.9	-65.9	-72.6	0	0	0	111.7	D1226 S1227 V1230 G1291	Y1224-D1226 PolarHBondContact O-N 3.36Å; Y1224-D1226 VanDerWaalsContact O-N 3.13Å; Y1224-S1227 WeakPolarHBondContact O-CB 3.41Å; Y1224-S1227 PolarHBondContact O-N 2.82Å; Y1224-S1227 PolarHBondContact O-OG 3.2Å; Y1224-V1230 VanDerWaalsContact O-CG2 3.29Å; Y1224-V1230 WeakPolarHBondContact O-CG2 3.22Å; Y1224-G1291 CarbonylContact C-O 3.5Å; Y1224-G1291 VanDerWaalsContact CA-O 3.28Å; Y1224-G1291 WeakPolarHBondContact CA-O 3.42Å
1225	R	56.8	Low	53.8	Low	72 Å²	72	63.6 Å²	63.6	27%	0.272	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.6	177.8	-75.6	-177.5	-178	-175.3	-7.5	112.8	S1227 V1230 G1291 V1293	R1225-S1227 VanDerWaalsContact C-N 3.34Å; R1225-V1230 WeakPolarHBondContact O-CB 2.95Å; R1225-V1230 VanDerWaalsContact O-CG1 3.29Å; R1225-V1230 WeakPolarHBondContact O-CG1 3.08Å; R1225-G1291 WeakPolarHBondContact CG-O 3.21Å; R1225-G1291 PolarHBondContact N-O 3.04Å; R1225-V1293 HydrophobicContact CG-CG2 3.71Å
1226	D	55.3	Low	53.1	Low	87 Å²	87	65.9 Å²	65.9	47%	0.465	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.7	-179.6	-57.3	-38	0	0	0	112.7	Y1224 N1327	Y1224-D1226 PolarHBondContact O-N 3.36Å; Y1224-D1226 VanDerWaalsContact O-N 3.13Å; D1226-N1327 PolarHBondContact OD2-ND2 3.48Å
1227	S	55.8	Low	52.1	Low	30 Å²	30	70.1 Å²	70.1	21%	0.21	35%	0.352	C	S	.	.	S	Bend	trans	-74.2	150.2	176.4	70.6	0	0	0	0	112.9	Y1224 R1225 L1229 V1230 E1231	Y1224-S1227 WeakPolarHBondContact O-CB 3.41Å; Y1224-S1227 PolarHBondContact O-N 2.82Å; Y1224-S1227 PolarHBondContact O-OG 3.2Å; R1225-S1227 VanDerWaalsContact C-N 3.34Å; S1227-L1229 PolarHBondContact O-N 3.43Å; S1227-L1229 VanDerWaalsContact O-N 3.09Å; S1227-V1230 PolarHBondContact O-N 3.23Å; S1227-V1230 VanDerWaalsContact O-N 3.11Å; S1227-V1230 WeakPolarHBondContact OG-CG2 3.11Å; S1227-V1230 PolarHBondContact OG-N 2.93Å; S1227-E1231 PolarHBondContact O-N 2.72Å
1228	L	52.5	Low	51.1	Low	115 Å²	115	70 Å²	70	60%	0.602	37%	0.371	S	S	*	.	H	α-helix	trans	-58.5	-21.5	173.7	-69.2	169.6	0	0	0	113.4	R1232	L1228-R1232 WeakPolarHBondContact O-CB 3.38Å; L1228-R1232 WeakPolarHBondContact O-CD 3.48Å; L1228-R1232 WeakPolarHBondContact O-CG 3.34Å; L1228-R1232 PolarHBondContact O-N 2.72Å; L1228-R1232 VanDerWaalsContact O-N 3.1Å
1229	L	53.8	Low	49.8	Very low	69 Å²	69	76 Å²	76	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-73.4	-49.5	175.2	-171.7	150.5	0	0	0	110.4	I1221 A1223 S1227 E1231 R1232 L1233 F1295	I1221-L1229 HydrophobicContact CG2-CD1 4.34Å; A1223-L1229 HydrophobicContact CB-CD2 4.41Å; S1227-L1229 PolarHBondContact O-N 3.43Å; S1227-L1229 VanDerWaalsContact O-N 3.09Å; L1229-E1231 VanDerWaalsContact C-N 3.31Å; L1229-E1231 PolarHBondContact O-N 2.87Å; L1229-R1232 PolarHBondContact O-N 3.1Å; L1229-L1233 HydrophobicContact CD2-CD1 3.76Å; L1229-L1233 WeakPolarHBondContact O-CG 3.32Å; L1229-L1233 PolarHBondContact O-N 3.05Å; L1229-F1295 HydrophobicContact CD2-CD2 3.67Å; L1229-F1295 HydrophobicContact CD2-CE2 3.36Å; L1229-F1295 HydrophobicContact CD2-CG 4.37Å; L1229-F1295 HydrophobicContact CD2-CZ 3.84Å
1230	V	56.9	Low	48.7	Very low	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-63.8	-37.3	174.6	178	0	0	0	0	111.3	A1223 Y1224 R1225 S1227 L1233 S1234 V1293 F1295 I1320	A1223-V1230 HydrophobicContact CB-CG2 4.44Å; Y1224-V1230 VanDerWaalsContact O-CG2 3.29Å; Y1224-V1230 WeakPolarHBondContact O-CG2 3.22Å; R1225-V1230 WeakPolarHBondContact O-CB 2.95Å; R1225-V1230 VanDerWaalsContact O-CG1 3.29Å; R1225-V1230 WeakPolarHBondContact O-CG1 3.08Å; S1227-V1230 PolarHBondContact O-N 3.23Å; S1227-V1230 VanDerWaalsContact O-N 3.11Å; S1227-V1230 WeakPolarHBondContact OG-CG2 3.11Å; S1227-V1230 PolarHBondContact OG-N 2.93Å; V1230-L1233 PolarHBondContact O-N 2.8Å; V1230-S1234 WeakPolarHBondContact O-CB 3.16Å; V1230-S1234 PolarHBondContact O-N 2.93Å; V1230-S1234 PolarHBondContact O-OG 2.87Å; V1230-V1293 HydrophobicContact CG2-CB 4.23Å; V1230-V1293 HydrophobicContact CG2-CG2 4.14Å; V1230-F1295 HydrophobicContact CG2-CE2 3.8Å; V1230-F1295 HydrophobicContact CG2-CZ 3.9Å; V1230-I1320 HydrophobicContact CG1-CD1 3.5Å; V1230-I1320 HydrophobicContact CG1-CG1 3.87Å; V1230-I1320 HydrophobicContact CG1-CG2 4.1Å
1231	E	52.9	Low	47.8	Very low	82 Å²	82	78.9 Å²	78.9	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-44.9	175.5	-174.1	149.6	-96	0	0	113.1	S1227 L1229 L1233 S1234 S1235 R1324	S1227-E1231 PolarHBondContact O-N 2.72Å; L1229-E1231 VanDerWaalsContact C-N 3.31Å; L1229-E1231 PolarHBondContact O-N 2.87Å; E1231-L1233 VanDerWaalsContact C-N 3.28Å; E1231-L1233 PolarHBondContact O-N 2.61Å; E1231-S1234 WeakPolarHBondContact CA-OG 3.49Å; E1231-S1234 PolarHBondContact O-N 3.48Å; E1231-S1234 PolarHBondContact O-OG 2.92Å; E1231-S1235 WeakPolarHBondContact O-CB 3.4Å; E1231-S1235 PolarHBondContact O-N 2.8Å; E1231-R1324 IonicContact OE1-CZ 3.86Å; E1231-R1324 VanDerWaalsContact OE1-CZ 3.23Å; E1231-R1324 IonicContact OE1-NH1 3.41Å; E1231-R1324 PolarHBondContact OE1-NH1 3.34Å; E1231-R1324 IonicContact OE1-NH2 2.74Å; E1231-R1324 PolarHBondContact OE1-NH2 2.85Å
1232	R	50.4	Low	46.9	Very low	174 Å²	174	78.7 Å²	78.7	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-67.2	-27.6	177.8	-75.1	170.5	-179.4	-171.3	0.4	113	L1228 L1229 L1237	L1228-R1232 WeakPolarHBondContact O-CB 3.38Å; L1228-R1232 WeakPolarHBondContact O-CD 3.48Å; L1228-R1232 WeakPolarHBondContact O-CG 3.34Å; L1228-R1232 PolarHBondContact O-N 2.72Å; L1228-R1232 VanDerWaalsContact O-N 3.1Å; L1229-R1232 PolarHBondContact O-N 3.1Å; R1232-L1237 WeakPolarHBondContact O-CD1 3.38Å
1233	L	52.7	Low	46.3	Very low	44 Å²	44	74.4 Å²	74.4	23%	0.23	41%	0.405	C	S	.	.	H	α-helix	trans	-85.8	-26.6	177.2	-64.1	175.7	0	0	0	113.3	L1229 V1230 E1231 F1295	L1229-L1233 HydrophobicContact CD2-CD1 3.76Å; L1229-L1233 WeakPolarHBondContact O-CG 3.32Å; L1229-L1233 PolarHBondContact O-N 3.05Å; V1230-L1233 PolarHBondContact O-N 2.8Å; E1231-L1233 VanDerWaalsContact C-N 3.28Å; E1231-L1233 PolarHBondContact O-N 2.61Å; L1233-F1295 HydrophobicContact CD1-CD1 3.94Å; L1233-F1295 HydrophobicContact CD1-CE1 3.32Å; L1233-F1295 HydrophobicContact CD1-CE2 4.43Å; L1233-F1295 HydrophobicContact CD1-CZ 3.6Å
1234	S	46.6	Very low	45.4	Very low	21 Å²	21	74.2 Å²	74.2	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-84.9	-26.3	176.9	47.1	0	0	0	0	113.7	V1230 E1231	V1230-S1234 WeakPolarHBondContact O-CB 3.16Å; V1230-S1234 PolarHBondContact O-N 2.93Å; V1230-S1234 PolarHBondContact O-OG 2.87Å; E1231-S1234 WeakPolarHBondContact CA-OG 3.49Å; E1231-S1234 PolarHBondContact O-N 3.48Å; E1231-S1234 PolarHBondContact O-OG 2.92Å
1235	S	41.6	Very low	44.5	Very low	53 Å²	53	71.9 Å²	71.9	37%	0.371	39%	0.393	S	S	.	.	S	Bend	trans	-59.2	141.2	174	-176.6	0	0	0	0	112.7	E1231 L1237	E1231-S1235 WeakPolarHBondContact O-CB 3.4Å; E1231-S1235 PolarHBondContact O-N 2.8Å; S1235-L1237 PolarHBondContact O-N 2.72Å
1236	P	40.2	Very low	43.8	Very low	112 Å²	112	69.4 Å²	69.4	73%	0.727	39%	0.385	S	S	*	.			trans	-74.7	66.8	172.8	33	-36.1	0	0	0	111.2	G1238	P1236-G1238 PolarHBondContact O-N 3.23Å
1237	L	38.3	Very low	43.2	Very low	92 Å²	92	69.3 Å²	69.3	48%	0.482	38%	0.384	S	S	.	.			trans	-62.9	115	173.9	-66.6	176.3	0	0	0	109.9	R1232 S1235 N1239	R1232-L1237 WeakPolarHBondContact O-CD1 3.38Å; S1235-L1237 PolarHBondContact O-N 2.72Å; L1237-N1239 PolarHBondContact O-N 3.36Å
1238	G	36.8	Very low	43	Very low	72 Å²	72	70.1 Å²	70.1	74%	0.742	39%	0.388	S	S	*	.	S	Bend	trans	-63.8	-2.7	-179.8	0	0	0	0	0	115.6	P1236	P1236-G1238 PolarHBondContact O-N 3.23Å
1239	N	32.3	Very low	42.7	Very low	141 Å²	141	68.8 Å²	68.8	75%	0.754	38%	0.381	S	S	*	.	S	Bend	trans	-104.4	97.1	176.8	-66.1	-24.9	0	0	0	108.6	L1237 Q1241	L1237-N1239 PolarHBondContact O-N 3.36Å; N1239-Q1241 PolarHBondContact O-N 3.05Å
1240	G	28	Very low	42.8	Very low	42 Å²	42	67.5 Å²	67.5	43%	0.433	38%	0.375	S	S	.	.			trans	-59.6	129.2	-163.3	0	0	0	0	0	115.6
1241	Q	36.4	Very low	42.4	Very low	98 Å²	98	74.2 Å²	74.2	46%	0.458	41%	0.41	S	S	.	.			trans	-81.3	154.9	164.3	-63.4	174.1	17.1	0	0	109.9	N1239 L1243	N1239-Q1241 PolarHBondContact O-N 3.05Å; Q1241-L1243 PolarHBondContact O-N 3.36Å
1242	L	36.1	Very low	42.6	Very low	58 Å²	58	73.6 Å²	73.6	30%	0.304	41%	0.409	S	S	.	.			trans	-95.5	102.1	-169.4	-159.8	151.6	0	0	0	110.4	V1204 I1207 A1244	V1204-L1242 HydrophobicContact CG1-CD1 4.46Å; V1204-L1242 HydrophobicContact CG1-CD2 4.23Å; V1204-L1242 HydrophobicContact CG2-CD2 4.4Å; I1207-L1242 HydrophobicContact CD1-CD1 3.75Å; I1207-L1242 HydrophobicContact CD1-CD2 3.9Å; I1207-L1242 HydrophobicContact CD1-CG 4.27Å; I1207-L1242 HydrophobicContact CG1-CD1 3.95Å; L1242-A1244 HydrophobicContact CD2-CB 3.84Å; L1242-A1244 PolarHBondContact O-N 3.38Å; L1242-A1244 VanDerWaalsContact O-N 3.16Å
1243	L	38.7	Very low	42.8	Very low	43 Å²	43	68.8 Å²	68.8	23%	0.225	40%	0.402	C	S	.	.			trans	-70.4	105.2	171.3	-67.7	169.9	0	0	0	109.2	C1199 A1200 Q1241 V1309	C1199-L1243 HydrophobicContact CB-CB 3.82Å; C1199-L1243 PolarHBondContact N-O 2.61Å; C1199-L1243 VanDerWaalsContact N-O 3.15Å; A1200-L1243 HydrophobicContact CB-CD1 4.42Å; Q1241-L1243 PolarHBondContact O-N 3.36Å; L1243-V1309 HydrophobicContact CD2-CB 4.11Å; L1243-V1309 HydrophobicContact CD2-CG1 4.09Å
1244	A	36.4	Very low	42.9	Very low	9 Å²	9	70.9 Å²	70.9	7%	0.074	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-124	136	170.9	0	0	0	0	0	109.5	L1196 E1197 L1242 F1308	L1196-A1244 HydrophobicContact CB-CB 4.18Å; L1196-A1244 HydrophobicContact CD2-CB 4.1Å; L1196-A1244 HydrophobicContact CG-CB 3.91Å; E1197-A1244 WeakPolarHBondContact O-CA 3.29Å; L1242-A1244 HydrophobicContact CD2-CB 3.84Å; L1242-A1244 PolarHBondContact O-N 3.38Å; L1242-A1244 VanDerWaalsContact O-N 3.16Å; A1244-F1308 HydrophobicContact CB-CD1 4.38Å; A1244-F1308 HydrophobicContact CB-CE1 4.07Å
1245	R	37	Very low	43.2	Very low	95 Å²	95	71.3 Å²	71.3	36%	0.358	41%	0.414	S	S	.	.			trans	-66.9	158.5	160.3	-75	166.5	162	-171.9	-3.3	109.5	L1196 E1197 Y1311	L1196-R1245 WeakPolarHBondContact CA-O 3.1Å; E1197-R1245 HydrophobicContact CB-CB 4.17Å; E1197-R1245 PolarHBondContact O-N 2.88Å; E1197-R1245 WeakPolarHBondContact OE2-CD 3.49Å; E1197-R1245 IonicContact OE2-CZ 3.53Å; E1197-R1245 IonicContact OE2-NE 3.17Å; E1197-R1245 IonicContact OE2-NH1 3.91Å; E1197-R1245 PolarHBondContact OE2-NH1 3.32Å; R1245-Y1311 HydrophobicContact CG-CD2 3.7Å; R1245-Y1311 HydrophobicContact CG-CE2 4.31Å; R1245-Y1311 HydrophobicContact CG-CG 4.46Å; R1245-Y1311 VanDerWaalsContact NH2-CZ 3.35Å
1246	L	41.9	Very low	43.8	Very low	21 Å²	21	71.5 Å²	71.5	11%	0.11	41%	0.413	C	S	.	.			trans	-131.6	90.4	174.4	-158.2	64.9	0	0	0	108	L1194 L1196 V1248 L1274 L1298 F1308	L1194-L1246 HydrophobicContact CB-CD1 4.08Å; L1194-L1246 HydrophobicContact CD2-CD1 3.67Å; L1194-L1246 HydrophobicContact CD2-CD2 4.1Å; L1194-L1246 HydrophobicContact CD2-CG 3.8Å; L1194-L1246 HydrophobicContact CG-CD1 4.3Å; L1196-L1246 HydrophobicContact CD1-CD1 3.46Å; L1196-L1246 VanDerWaalsContact CD1-CD1 3.46Å; L1196-L1246 HydrophobicContact CG-CD1 4.31Å; L1246-V1248 HydrophobicContact CG-CG2 4.5Å; L1246-L1274 HydrophobicContact CB-CD1 4.42Å; L1246-L1274 HydrophobicContact CD2-CD1 4.3Å; L1246-L1298 HydrophobicContact CD1-CD1 4.23Å; L1246-L1298 HydrophobicContact CD2-CD1 3.78Å; L1246-F1308 HydrophobicContact CB-CD1 4.18Å; L1246-F1308 HydrophobicContact CB-CE1 4.44Å; L1246-F1308 HydrophobicContact CD1-CD1 4.19Å; L1246-F1308 HydrophobicContact CD1-CE1 3.64Å; L1246-F1308 HydrophobicContact CD1-CZ 3.87Å; L1246-F1308 HydrophobicContact CD2-CD1 4.3Å; L1246-F1308 HydrophobicContact CD2-CD2 4.27Å; L1246-F1308 HydrophobicContact CD2-CE1 4.4Å; L1246-F1308 HydrophobicContact CD2-CE2 4.4Å; L1246-F1308 HydrophobicContact CD2-CG 4.24Å; L1246-F1308 HydrophobicContact CD2-CZ 4.45Å; L1246-F1308 HydrophobicContact CG-CD1 4.48Å; L1246-F1308 HydrophobicContact CG-CE1 4.39Å
1247	L	42.9	Very low	44.2	Very low	85 Å²	85	70.1 Å²	70.1	45%	0.445	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	145.9	165.4	-57.8	-177	0	0	0	108.6	R1193 L1194 L1195	R1193-L1247 VanDerWaalsContact O-O 3.06Å; L1194-L1247 WeakPolarHBondContact CA-O 3.26Å; L1195-L1247 HydrophobicContact CB-CB 4.03Å; L1195-L1247 HydrophobicContact CB-CD1 4.25Å; L1195-L1247 HydrophobicContact CB-CG 4.35Å; L1195-L1247 HydrophobicContact CD2-CD1 3.86Å; L1195-L1247 PolarHBondContact N-O 3.33Å; L1195-L1247 PolarHBondContact O-N 3.41Å
1248	V	50.1	Low	44.8	Very low	46 Å²	46	69 Å²	69	28%	0.279	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	96.9	-176.1	166.5	0	0	0	0	106.9	L1192 R1193 L1194 L1246 L1250 L1274	L1192-V1248 HydrophobicContact CD1-CG1 3.69Å; L1192-V1248 HydrophobicContact CD2-CG1 4.28Å; L1192-V1248 HydrophobicContact CD2-CG2 4.26Å; L1192-V1248 HydrophobicContact CG-CG1 3.9Å; R1193-V1248 WeakPolarHBondContact O-CA 3.18Å; L1194-V1248 HydrophobicContact CD2-CG2 4.1Å; L1246-V1248 HydrophobicContact CG-CG2 4.5Å; V1248-L1250 HydrophobicContact CG1-CD1 4.21Å; V1248-L1250 HydrophobicContact CG1-CD2 4.26Å; V1248-L1250 HydrophobicContact CG1-CG 3.93Å; V1248-L1274 HydrophobicContact CB-CD1 4.39Å; V1248-L1274 HydrophobicContact CG2-CD1 3.52Å
1249	D	46.3	Very low	45.5	Very low	87 Å²	87	66.5 Å²	66.5	47%	0.465	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.9	169.2	-58.2	-29.8	0	0	0	108.3	R1193	R1193-D1249 HydrophobicContact CB-CB 3.99Å; R1193-D1249 WeakPolarHBondContact CD-OD2 3.42Å; R1193-D1249 HydrophobicContact CG-CB 4.41Å; R1193-D1249 PolarHBondContact O-N 3.3Å
1250	L	55.7	Low	46.4	Very low	43 Å²	43	60.4 Å²	60.4	23%	0.225	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.1	171.4	-66.5	166.8	0	0	0	108	F1190 L1192 V1248 D1255 V1256 L1259	F1190-L1250 HydrophobicContact CB-CD2 4.31Å; L1192-L1250 HydrophobicContact CD1-CD2 4.06Å; L1192-L1250 HydrophobicContact CG-CD2 4.46Å; V1248-L1250 HydrophobicContact CG1-CD1 4.21Å; V1248-L1250 HydrophobicContact CG1-CD2 4.26Å; V1248-L1250 HydrophobicContact CG1-CG 3.93Å; L1250-D1255 HydrophobicContact CB-CB 4.24Å; L1250-D1255 HydrophobicContact CD2-CB 4.24Å; L1250-V1256 HydrophobicContact CB-CG2 4.01Å; L1250-V1256 HydrophobicContact CD1-CB 4.45Å; L1250-V1256 HydrophobicContact CD1-CG2 3.87Å; L1250-L1259 HydrophobicContact CD1-CD2 3.8Å; L1250-L1259 HydrophobicContact CD2-CD2 4.43Å
1251	L	49.9	Very low	47.2	Very low	140 Å²	140	61.3 Å²	61.3	73%	0.733	34%	0.336	S	S	*	.	S	Bend	trans	-83.1	-22.5	-167	-81.2	156.3	0	0	0	114	P1191	P1191-L1251 HydrophobicContact CB-CD1 3.98Å; P1191-L1251 HydrophobicContact CG-CD1 3.87Å
1252	D	56.5	Low	47.6	Very low	70 Å²	70	58.8 Å²	58.8	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-136	149.4	176.7	-171.7	-0.9	0	0	0	111.7	N1254 D1255 V1256	D1252-N1254 HydrophobicContact CB-CB 4.45Å; D1252-N1254 PolarHBondContact O-N 3.09Å; D1252-N1254 PolarHBondContact OD1-N 3.29Å; D1252-N1254 VanDerWaalsContact OD1-N 3.17Å; D1252-N1254 WeakPolarHBondContact OD2-CB 3.39Å; D1252-N1254 PolarHBondContact OD2-ND2 3.13Å; D1252-D1255 WeakPolarHBondContact O-CB 3.4Å; D1252-D1255 PolarHBondContact O-N 3.49Å; D1252-V1256 PolarHBondContact O-N 2.66Å; D1252-V1256 VanDerWaalsContact O-N 3.11Å
1253	S	54.2	Low	48.2	Very low	73 Å²	73	57.8 Å²	57.8	51%	0.51	32%	0.319	S	S	.	.	H	α-helix	trans	-45.7	-35.7	160.3	64.7	0	0	0	0	113.6	V1256 N1257	S1253-V1256 PolarHBondContact O-N 3.19Å; S1253-N1257 WeakPolarHBondContact O-CB 3.17Å; S1253-N1257 VanDerWaalsContact O-CG 3.27Å; S1253-N1257 PolarHBondContact O-N 2.73Å; S1253-N1257 PolarHBondContact O-ND2 2.74Å
1254	N	55.2	Low	48.3	Very low	88 Å²	88	57.9 Å²	57.9	47%	0.471	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-37.3	174.5	-68.9	-59.7	0	0	0	112.4	D1252 N1257 N1258	D1252-N1254 HydrophobicContact CB-CB 4.45Å; D1252-N1254 PolarHBondContact O-N 3.09Å; D1252-N1254 PolarHBondContact OD1-N 3.29Å; D1252-N1254 VanDerWaalsContact OD1-N 3.17Å; D1252-N1254 WeakPolarHBondContact OD2-CB 3.39Å; D1252-N1254 PolarHBondContact OD2-ND2 3.13Å; N1254-N1257 PolarHBondContact O-N 2.85Å; N1254-N1258 VanDerWaalsContact O-CB 3.25Å; N1254-N1258 WeakPolarHBondContact O-CB 3.44Å; N1254-N1258 VanDerWaalsContact O-CG 3.25Å; N1254-N1258 PolarHBondContact O-N 3.27Å; N1254-N1258 PolarHBondContact O-ND2 3.4Å
1255	D	53.4	Low	48.3	Very low	30 Å²	30	62.5 Å²	62.5	16%	0.16	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-37.7	174.2	-68.9	-34.3	0	0	0	111.4	F1190 L1250 D1252 N1258 L1259	F1190-D1255 HydrophobicContact CD1-CB 4Å; F1190-D1255 HydrophobicContact CE1-CB 4.41Å; L1250-D1255 HydrophobicContact CB-CB 4.24Å; L1250-D1255 HydrophobicContact CD2-CB 4.24Å; D1252-D1255 WeakPolarHBondContact O-CB 3.4Å; D1252-D1255 PolarHBondContact O-N 3.49Å; D1255-N1258 PolarHBondContact O-N 3.25Å; D1255-L1259 WeakPolarHBondContact O-CB 3.47Å; D1255-L1259 PolarHBondContact O-N 2.96Å
1256	V	53.5	Low	48.1	Very low	57 Å²	57	64.7 Å²	64.7	35%	0.345	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-44.1	172.1	-178.4	0	0	0	0	110.9	L1250 D1252 S1253 S1260	L1250-V1256 HydrophobicContact CB-CG2 4.01Å; L1250-V1256 HydrophobicContact CD1-CB 4.45Å; L1250-V1256 HydrophobicContact CD1-CG2 3.87Å; D1252-V1256 PolarHBondContact O-N 2.66Å; D1252-V1256 VanDerWaalsContact O-N 3.11Å; S1253-V1256 PolarHBondContact O-N 3.19Å; V1256-S1260 VanDerWaalsContact O-CB 3.24Å; V1256-S1260 WeakPolarHBondContact O-CB 3.43Å; V1256-S1260 PolarHBondContact O-N 3.08Å; V1256-S1260 PolarHBondContact O-OG 2.83Å
1257	N	48.3	Very low	47.5	Very low	82 Å²	82	66.6 Å²	66.6	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-67.9	-41.6	178	-73.3	-31.8	0	0	0	112.3	S1253 N1254 S1260 A1261	S1253-N1257 WeakPolarHBondContact O-CB 3.17Å; S1253-N1257 VanDerWaalsContact O-CG 3.27Å; S1253-N1257 PolarHBondContact O-N 2.73Å; S1253-N1257 PolarHBondContact O-ND2 2.74Å; N1254-N1257 PolarHBondContact O-N 2.85Å; N1257-S1260 WeakPolarHBondContact CA-OG 3.36Å; N1257-S1260 PolarHBondContact O-OG 3.3Å; N1257-A1261 WeakPolarHBondContact O-CB 3.4Å; N1257-A1261 PolarHBondContact O-N 3.32Å
1258	N	51.3	Low	46.7	Very low	70 Å²	70	69.2 Å²	69.2	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-69.1	-43.2	177.8	-78.4	-40.2	0	0	0	112.1	F1190 N1254 D1255 L1262	F1190-N1258 HydrophobicContact CE1-CB 3.6Å; F1190-N1258 HydrophobicContact CZ-CB 3.76Å; N1254-N1258 VanDerWaalsContact O-CB 3.25Å; N1254-N1258 WeakPolarHBondContact O-CB 3.44Å; N1254-N1258 VanDerWaalsContact O-CG 3.25Å; N1254-N1258 PolarHBondContact O-N 3.27Å; N1254-N1258 PolarHBondContact O-ND2 3.4Å; D1255-N1258 PolarHBondContact O-N 3.25Å; N1258-L1262 WeakPolarHBondContact O-CB 3.43Å; N1258-L1262 WeakPolarHBondContact O-CG 3.2Å; N1258-L1262 PolarHBondContact O-N 3.01Å
1259	L	52.2	Low	45.5	Very low	19 Å²	19	75 Å²	75	10%	0.099	42%	0.423	C	S	.	.	H	α-helix	trans	-67.2	-44.8	175.8	-175.6	67.6	0	0	0	110.7	V1178 F1190 L1250 D1255 A1261 L1262 L1263	V1178-L1259 HydrophobicContact CG2-CD1 3.9Å; F1190-L1259 HydrophobicContact CD2-CD1 4.18Å; F1190-L1259 HydrophobicContact CE1-CB 4.45Å; F1190-L1259 HydrophobicContact CE2-CD1 4.18Å; F1190-L1259 HydrophobicContact CZ-CB 4.37Å; L1250-L1259 HydrophobicContact CD1-CD2 3.8Å; L1250-L1259 HydrophobicContact CD2-CD2 4.43Å; D1255-L1259 WeakPolarHBondContact O-CB 3.47Å; D1255-L1259 PolarHBondContact O-N 2.96Å; L1259-A1261 PolarHBondContact O-N 3.02Å; L1259-L1262 PolarHBondContact O-N 2.92Å; L1259-L1263 HydrophobicContact CD1-CD1 4.2Å; L1259-L1263 HydrophobicContact CD1-CG 4.27Å; L1259-L1263 HydrophobicContact CD2-CD1 4.33Å; L1259-L1263 HydrophobicContact CG-CD1 3.86Å; L1259-L1263 HydrophobicContact CG-CG 4.27Å; L1259-L1263 WeakPolarHBondContact O-CB 3.24Å; L1259-L1263 VanDerWaalsContact O-CG 3.25Å; L1259-L1263 WeakPolarHBondContact O-CG 3.5Å; L1259-L1263 PolarHBondContact O-N 3.2Å
1260	S	50.4	Low	44.5	Very low	12 Å²	12	73.6 Å²	73.6	8%	0.084	41%	0.414	C	S	.	.	H	α-helix	trans	-63.1	-40.6	176.1	56.8	0	0	0	0	111.9	V1256 N1257 L1262 L1263 S1264	V1256-S1260 VanDerWaalsContact O-CB 3.24Å; V1256-S1260 WeakPolarHBondContact O-CB 3.43Å; V1256-S1260 PolarHBondContact O-N 3.08Å; V1256-S1260 PolarHBondContact O-OG 2.83Å; N1257-S1260 WeakPolarHBondContact CA-OG 3.36Å; N1257-S1260 PolarHBondContact O-OG 3.3Å; S1260-L1262 VanDerWaalsContact C-N 3.31Å; S1260-L1262 PolarHBondContact O-N 2.86Å; S1260-L1263 CarbonylContact O-C 3.51Å; S1260-L1263 PolarHBondContact O-N 3.21Å; S1260-L1263 VanDerWaalsContact O-N 3.17Å; S1260-S1264 WeakPolarHBondContact O-CB 3.44Å; S1260-S1264 PolarHBondContact O-N 2.87Å; S1260-S1264 PolarHBondContact O-OG 3.5Å
1261	A	43.7	Very low	43.2	Very low	62 Å²	62	78.8 Å²	78.8	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-63.6	-31	173.5	0	0	0	0	0	114	N1257 L1259 S1264	N1257-A1261 WeakPolarHBondContact O-CB 3.4Å; N1257-A1261 PolarHBondContact O-N 3.32Å; L1259-A1261 PolarHBondContact O-N 3.02Å; A1261-S1264 VanDerWaalsContact O-O 3.09Å
1262	L	46.5	Very low	42.2	Very low	44 Å²	44	75.4 Å²	75.4	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-76.8	-31.1	172.5	-82.8	160.4	0	0	0	113.2	V1178 N1188 F1190 N1258 L1259 S1260	V1178-L1262 HydrophobicContact CB-CD1 4.14Å; V1178-L1262 HydrophobicContact CG1-CB 4.15Å; V1178-L1262 HydrophobicContact CG1-CD1 4.25Å; V1178-L1262 HydrophobicContact CG1-CD2 4.28Å; V1178-L1262 HydrophobicContact CG1-CG 4.48Å; N1188-L1262 HydrophobicContact CB-CD1 4.25Å; F1190-L1262 HydrophobicContact CE2-CD1 3.68Å; F1190-L1262 HydrophobicContact CZ-CD1 3.75Å; N1258-L1262 WeakPolarHBondContact O-CB 3.43Å; N1258-L1262 WeakPolarHBondContact O-CG 3.2Å; N1258-L1262 PolarHBondContact O-N 3.01Å; L1259-L1262 PolarHBondContact O-N 2.92Å; S1260-L1262 VanDerWaalsContact C-N 3.31Å; S1260-L1262 PolarHBondContact O-N 2.86Å
1263	L	48.5	Very low	41	Very low	37 Å²	37	76.2 Å²	76.2	19%	0.194	43%	0.432	C	S	.	.	H	α-helix	trans	-83.9	-23.4	176.4	-64.4	178.1	0	0	0	112.4	L1218 I1220 L1259 S1260 I1272	L1218-L1263 HydrophobicContact CD2-CD2 4.35Å; I1220-L1263 HydrophobicContact CD1-CD2 3.5Å; I1220-L1263 HydrophobicContact CG1-CD2 3.85Å; L1259-L1263 HydrophobicContact CD1-CD1 4.2Å; L1259-L1263 HydrophobicContact CD1-CG 4.27Å; L1259-L1263 HydrophobicContact CD2-CD1 4.33Å; L1259-L1263 HydrophobicContact CG-CD1 3.86Å; L1259-L1263 HydrophobicContact CG-CG 4.27Å; L1259-L1263 WeakPolarHBondContact O-CB 3.24Å; L1259-L1263 VanDerWaalsContact O-CG 3.25Å; L1259-L1263 WeakPolarHBondContact O-CG 3.5Å; L1259-L1263 PolarHBondContact O-N 3.2Å; S1260-L1263 CarbonylContact O-C 3.51Å; S1260-L1263 PolarHBondContact O-N 3.21Å; S1260-L1263 VanDerWaalsContact O-N 3.17Å; L1263-I1272 HydrophobicContact CB-CD1 3.91Å; L1263-I1272 HydrophobicContact CD1-CD1 3.61Å; L1263-I1272 HydrophobicContact CG-CD1 4.38Å
1264	S	40.9	Very low	39.8	Very low	45 Å²	45	76 Å²	76	32%	0.315	43%	0.425	S	S	.	.	S	Bend	trans	-107.3	96.1	176	74.4	0	0	0	0	111.4	S1260 A1261 Q1266	S1260-S1264 WeakPolarHBondContact O-CB 3.44Å; S1260-S1264 PolarHBondContact O-N 2.87Å; S1260-S1264 PolarHBondContact O-OG 3.5Å; A1261-S1264 VanDerWaalsContact O-O 3.09Å; S1264-Q1266 PolarHBondContact O-N 3.11Å
1265	T	35.7	Very low	38.6	Very low	106 Å²	106	73.6 Å²	73.6	65%	0.65	42%	0.42	S	S	*	.	S	Bend	trans	-60.2	105.9	162.5	49.4	0	0	0	0	108.9
1266	Q	33.2	Very low	37.4	Very low	142 Å²	142	74.7 Å²	74.7	66%	0.664	43%	0.425	S	S	*	.	S	Bend	trans	77.8	92.3	-173.7	-57.6	-177.7	-7.7	0	0	117.5	S1264 S1285 N1286	S1264-Q1266 PolarHBondContact O-N 3.11Å; Q1266-S1285 PolarHBondContact O-OG 2.69Å; Q1266-N1286 WeakPolarHBondContact CB-ND2 3.34Å; Q1266-N1286 PolarHBondContact OE1-ND2 2.74Å
1267	A	28.6	Very low	36.2	Very low	61 Å²	61	76.2 Å²	76.2	50%	0.504	43%	0.431	S	S	.	.			trans	69.5	123.6	139.2	0	0	0	0	0	121.6	S1285	A1267-S1285 WeakPolarHBondContact O-CB 3.4Å; A1267-S1285 PolarHBondContact O-OG 2.9Å
1268	N	25.7	Very low	35.1	Very low	140 Å²	140	75.6 Å²	75.6	75%	0.749	43%	0.433	S	S	*	.			trans	72	108.7	156.5	-71.2	-13.7	0	0	0	120.5
1269	Q	24.8	Very low	34	Very low	166 Å²	166	76.4 Å²	76.4	78%	0.776	44%	0.442	S	S	*	.			trans	49.9	90.6	144.7	-60.2	-170.9	18.9	0	0	117.8
1270	M	26.5	Very low	32.8	Very low	59 Å²	59	78.7 Å²	78.7	29%	0.291	46%	0.46	S	S	.	.			trans	-140.5	131.9	157.1	-168.9	159.2	-68.4	0	0	110.7	I1272 L1277 R1283 L1284	M1270-I1272 PolarHBondContact O-N 3.33Å; M1270-L1277 HydrophobicContact SD-CD2 4.4Å; M1270-R1283 HydrophobicContact CE-CB 4.4Å; M1270-R1283 WeakPolarHBondContact CE-O 3.42Å; M1270-L1284 HydrophobicContact CE-CD2 3.55Å; M1270-L1284 HydrophobicContact CE-CG 3.93Å; M1270-L1284 HydrophobicContact SD-CD2 3.74Å; M1270-L1284 HydrophobicContact SD-CG 4.45Å
1271	I	28	Very low	32	Very low	152 Å²	152	83.2 Å²	83.2	78%	0.779	49%	0.487	S	S	*	.			trans	-67.5	125.1	163.5	-61.5	169.4	0	0	0	106.4	P1273	I1271-P1273 WeakPolarHBondContact O-CD 3.37Å
1272	I	29	Very low	31.4	Very low	69 Å²	69	90.2 Å²	90.2	35%	0.354	50%	0.502	S	S	.	.			trans	-101.1	95.2	-173.6	-61.5	173.4	0	0	0	110.3	L1263 M1270 L1274	L1263-I1272 HydrophobicContact CB-CD1 3.91Å; L1263-I1272 HydrophobicContact CD1-CD1 3.61Å; L1263-I1272 HydrophobicContact CG-CD1 4.38Å; M1270-I1272 PolarHBondContact O-N 3.33Å; I1272-L1274 HydrophobicContact CG2-CD2 4.09Å
1273	P	30.4	Very low	30.8	Very low	87 Å²	87	98.1 Å²	98.1	57%	0.565	53%	0.529	S	S	*	.			trans	-70	127.3	161.1	30.5	-33.4	0	0	0	109	I1271 G1275	I1271-P1273 WeakPolarHBondContact O-CD 3.37Å; P1273-G1275 PolarHBondContact O-N 3.36Å
1274	L	29.3	Very low	30	Very low	69 Å²	69	98.7 Å²	98.7	36%	0.361	53%	0.532	S	S	.	.	S	Bend	trans	-79	70.3	-179.2	-68.5	172.3	0	0	0	111.9	L1246 V1248 I1272 I1296	L1246-L1274 HydrophobicContact CB-CD1 4.42Å; L1246-L1274 HydrophobicContact CD2-CD1 4.3Å; V1248-L1274 HydrophobicContact CB-CD1 4.39Å; V1248-L1274 HydrophobicContact CG2-CD1 3.52Å; I1272-L1274 HydrophobicContact CG2-CD2 4.09Å; L1274-I1296 HydrophobicContact CD2-CD1 3.43Å; L1274-I1296 VanDerWaalsContact CD2-CD1 3.43Å
1275	G	29.9	Very low	29.7	Very low	37 Å²	37	100.1 Å²	100.1	38%	0.381	54%	0.542	S	S	.	.	S	Bend	trans	-178.4	129.5	174	0	0	0	0	0	112.8	P1273	P1273-G1275 PolarHBondContact O-N 3.36Å
1276	I	29.7	Very low	29.6	Very low	52 Å²	52	99 Å²	99	27%	0.267	53%	0.532	S	S	.	.			trans	24.7	93.1	177.3	-39.7	-178.7	0	0	0	115.5	S1278 P1310 Q1315 F1316	I1276-S1278 PolarHBondContact O-N 3.45Å; I1276-P1310 HydrophobicContact CD1-CB 4.1Å; I1276-P1310 HydrophobicContact CG1-CB 3.46Å; I1276-P1310 VanDerWaalsContact CG1-CB 3.46Å; I1276-P1310 HydrophobicContact CG1-CG 3.76Å; I1276-Q1315 HydrophobicContact CD1-CB 4.38Å; I1276-F1316 HydrophobicContact CD1-CB 3.85Å
1277	L	27	Very low	29.9	Very low	89 Å²	89	95.8 Å²	95.8	47%	0.466	52%	0.523	S	S	.	.			trans	-70.7	84.7	156	-76	172.4	0	0	0	109.5	M1270 I1288	M1270-L1277 HydrophobicContact SD-CD2 4.4Å; L1277-I1288 HydrophobicContact CB-CD1 4.45Å; L1277-I1288 HydrophobicContact CD1-CD1 3.99Å
1278	S	25.8	Very low	30.6	Very low	69 Å²	69	96.7 Å²	96.7	48%	0.483	52%	0.519	S	S	.	.			trans	-60.7	130	156.7	-58.1	0	0	0	0	107.4	I1276 S1280	I1276-S1278 PolarHBondContact O-N 3.45Å; S1278-S1280 PolarHBondContact O-N 3.33Å
1279	P	28	Very low	31.4	Very low	87 Å²	87	96 Å²	96	57%	0.565	51%	0.511	S	S	*	.			trans	-71.7	95.3	-167.1	27.5	-35	0	0	0	111.7	T1281	P1279-T1281 PolarHBondContact O-N 3.35Å; P1279-T1281 PolarHBondContact O-OG1 3.06Å
1280	S	27.3	Very low	32	Very low	68 Å²	68	94.2 Å²	94.2	48%	0.476	51%	0.514	S	S	.	.			trans	-74.3	89.6	165.3	50.7	0	0	0	0	109	S1278 Y1282 R1283	S1278-S1280 PolarHBondContact O-N 3.33Å; S1280-Y1282 PolarHBondContact O-N 2.87Å; S1280-R1283 PolarHBondContact O-N 3.09Å
1281	T	33.7	Very low	32.8	Very low	107 Å²	107	92.2 Å²	92.2	66%	0.656	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	8.8	-168	-25.4	0	0	0	0	116.6	P1279	P1279-T1281 PolarHBondContact O-N 3.35Å; P1279-T1281 PolarHBondContact O-OG1 3.06Å
1282	Y	30.9	Very low	33.7	Very low	208 Å²	208	85.9 Å²	85.9	82%	0.816	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	5.6	-169.9	-62.8	-75.2	0	0	0	114.7	S1280	S1280-Y1282 PolarHBondContact O-N 2.87Å
1283	R	33.9	Very low	34.7	Very low	210 Å²	210	83.4 Å²	83.4	79%	0.792	47%	0.465	S	S	*	.	S	Bend	trans	-136.2	6.2	175.3	-71.2	-164.1	-178.1	-131.3	2.8	116	M1270 S1280	M1270-R1283 HydrophobicContact CE-CB 4.4Å; M1270-R1283 WeakPolarHBondContact CE-O 3.42Å; S1280-R1283 PolarHBondContact O-N 3.09Å
1284	L	32.7	Very low	35.6	Very low	50 Å²	50	81.4 Å²	81.4	26%	0.262	46%	0.46	S	S	.	.			trans	-102.7	124.2	169.1	-76	167.5	0	0	0	109.4	M1270 N1286	M1270-L1284 HydrophobicContact CE-CD2 3.55Å; M1270-L1284 HydrophobicContact CE-CG 3.93Å; M1270-L1284 HydrophobicContact SD-CD2 3.74Å; M1270-L1284 HydrophobicContact SD-CG 4.45Å; L1284-N1286 VanDerWaalsContact C-N 3.25Å; L1284-N1286 PolarHBondContact O-N 3.13Å
1285	S	33.8	Very low	36.7	Very low	75 Å²	75	78.9 Å²	78.9	52%	0.524	45%	0.446	S	S	.	.	S	Bend	trans	-58.9	-36.9	172.3	46.3	0	0	0	0	112.3	Q1266 A1267	Q1266-S1285 PolarHBondContact O-OG 2.69Å; A1267-S1285 WeakPolarHBondContact O-CB 3.4Å; A1267-S1285 PolarHBondContact O-OG 2.9Å
1286	N	34.2	Very low	37.8	Very low	81 Å²	81	78.9 Å²	78.9	43%	0.433	44%	0.437	S	S	.	.	S	Bend	trans	-132.6	116.6	164.4	-80.9	-67.9	0	0	0	109.3	Q1266 L1284	Q1266-N1286 WeakPolarHBondContact CB-ND2 3.34Å; Q1266-N1286 PolarHBondContact OE1-ND2 2.74Å; L1284-N1286 VanDerWaalsContact C-N 3.25Å; L1284-N1286 PolarHBondContact O-N 3.13Å
1287	P	38.1	Very low	39	Very low	75 Å²	75	76.8 Å²	76.8	49%	0.487	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-70.3	145	172.9	29.1	-33.6	0	0	0	111.1	Q1289	P1287-Q1289 PolarHBondContact O-N 2.95Å
1288	I	45.1	Very low	40.4	Very low	80 Å²	80	72.6 Å²	72.6	41%	0.41	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-53.6	132	167	-63.1	171.8	0	0	0	108.1	L1277 T1292	L1277-I1288 HydrophobicContact CB-CD1 4.45Å; L1277-I1288 HydrophobicContact CD1-CD1 3.99Å; I1288-T1292 HydrophobicContact CG2-CG2 4.24Å
1289	Q	40.7	Very low	41.7	Very low	125 Å²	125	71 Å²	71	58%	0.584	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-50	130.7	-175.9	-80.4	-167.3	-7.5	0	0	111.4	P1287 G1291 T1292	P1287-Q1289 PolarHBondContact O-N 2.95Å; Q1289-G1291 PolarHBondContact O-N 3.12Å; Q1289-G1291 VanDerWaalsContact O-N 3.13Å; Q1289-T1292 WeakPolarHBondContact O-CB 2.97Å; Q1289-T1292 PolarHBondContact O-N 2.72Å
1290	P	38.3	Very low	42.7	Very low	130 Å²	130	69.2 Å²	69.2	84%	0.844	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	121.7	175.2	-27.9	35.6	0	0	0	110.9
1291	G	43.8	Very low	43.8	Very low	16 Å²	16	71.2 Å²	71.2	17%	0.165	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	96	3.2	-174.3	0	0	0	0	0	115.6	Y1224 R1225 Q1289	Y1224-G1291 CarbonylContact C-O 3.5Å; Y1224-G1291 VanDerWaalsContact CA-O 3.28Å; Y1224-G1291 WeakPolarHBondContact CA-O 3.42Å; R1225-G1291 WeakPolarHBondContact CG-O 3.21Å; R1225-G1291 PolarHBondContact N-O 3.04Å; Q1289-G1291 PolarHBondContact O-N 3.12Å; Q1289-G1291 VanDerWaalsContact O-N 3.13Å
1292	T	46.1	Very low	44.5	Very low	19 Å²	19	77.3 Å²	77.3	12%	0.117	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147	173.7	-58.4	0	0	0	0	112.1	Q1222 I1288 Q1289	Q1222-T1292 HydrophobicContact CB-CG2 4Å; I1288-T1292 HydrophobicContact CG2-CG2 4.24Å; Q1289-T1292 WeakPolarHBondContact O-CB 2.97Å; Q1289-T1292 PolarHBondContact O-N 2.72Å
1293	V	50.5	Low	44.8	Very low	18 Å²	18	74.6 Å²	74.6	11%	0.109	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.6	175.1	-177.3	0	0	0	0	108.6	Q1222 A1223 R1225 V1230 F1295 F1316	Q1222-V1293 WeakPolarHBondContact CA-O 3.41Å; A1223-V1293 PolarHBondContact N-O 3.21Å; A1223-V1293 PolarHBondContact O-N 3.12Å; R1225-V1293 HydrophobicContact CG-CG2 3.71Å; V1230-V1293 HydrophobicContact CG2-CB 4.23Å; V1230-V1293 HydrophobicContact CG2-CG2 4.14Å; V1293-F1295 HydrophobicContact CB-CE2 3.98Å; V1293-F1295 HydrophobicContact CB-CZ 4.31Å; V1293-F1295 HydrophobicContact CG1-CD2 4.21Å; V1293-F1295 HydrophobicContact CG1-CE1 4.13Å; V1293-F1295 HydrophobicContact CG1-CE2 3.61Å; V1293-F1295 HydrophobicContact CG1-CZ 3.57Å; V1293-F1316 HydrophobicContact CG1-CE2 3.79Å; V1293-F1316 HydrophobicContact CG1-CZ 4Å
1294	G	48.4	Very low	45.1	Very low	45 Å²	45	71.9 Å²	71.9	46%	0.464	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.6	172	0	0	0	0	0	111.3
1295	F	52.8	Low	45.5	Very low	15 Å²	15	75 Å²	75	7%	0.066	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.1	169.5	-62.1	-83.3	0	0	0	109.8	I1220 I1221 A1223 L1229 V1230 L1233 V1293 F1316	I1220-F1295 CarbonylContact C-O 3.57Å; I1220-F1295 WeakPolarHBondContact CA-O 3.46Å; I1221-F1295 HydrophobicContact CB-CB 4.36Å; I1221-F1295 PolarHBondContact N-O 3.18Å; I1221-F1295 PolarHBondContact O-N 3.41Å; A1223-F1295 HydrophobicContact CB-CD2 4.48Å; A1223-F1295 HydrophobicContact CB-CE2 4.25Å; L1229-F1295 HydrophobicContact CD2-CD2 3.67Å; L1229-F1295 HydrophobicContact CD2-CE2 3.36Å; L1229-F1295 HydrophobicContact CD2-CG 4.37Å; L1229-F1295 HydrophobicContact CD2-CZ 3.84Å; V1230-F1295 HydrophobicContact CG2-CE2 3.8Å; V1230-F1295 HydrophobicContact CG2-CZ 3.9Å; L1233-F1295 HydrophobicContact CD1-CD1 3.94Å; L1233-F1295 HydrophobicContact CD1-CE1 3.32Å; L1233-F1295 HydrophobicContact CD1-CE2 4.43Å; L1233-F1295 HydrophobicContact CD1-CZ 3.6Å; V1293-F1295 HydrophobicContact CB-CE2 3.98Å; V1293-F1295 HydrophobicContact CB-CZ 4.31Å; V1293-F1295 HydrophobicContact CG1-CD2 4.21Å; V1293-F1295 HydrophobicContact CG1-CE1 4.13Å; V1293-F1295 HydrophobicContact CG1-CE2 3.61Å; V1293-F1295 HydrophobicContact CG1-CZ 3.57Å; F1295-F1316 HydrophobicContact CE1-CE1 4.35Å; F1295-F1316 AromaticContact CE1-CZ 3.76Å; F1295-F1316 HydrophobicContact CE1-CZ 3.76Å; F1295-F1316 AromaticContact CZ-CZ 3.9Å; F1295-F1316 HydrophobicContact CZ-CZ 3.9Å
1296	I	53.9	Low	46.2	Very low	38 Å²	38	73.7 Å²	73.7	20%	0.195	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.5	171.8	-74.3	168.4	0	0	0	108.7	L1218 L1274 F1308	L1218-I1296 HydrophobicContact CD1-CG2 3.62Å; L1218-I1296 HydrophobicContact CG-CG2 4.32Å; L1274-I1296 HydrophobicContact CD2-CD1 3.43Å; L1274-I1296 VanDerWaalsContact CD2-CD1 3.43Å; I1296-F1308 PolarHBondContact O-N 3.41Å
1297	C	53.5	Low	46.4	Very low	7 Å²	7	72 Å²	72	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.4	-177.7	-69.2	0	0	0	0	109.4	S1219 I1305	S1219-C1297 PolarHBondContact N-O 2.81Å; S1219-C1297 PolarHBondContact O-N 2.92Å; C1297-I1305 HydrophobicContact CB-CG2 3.91Å
1298	L	56.3	Low	46.9	Very low	1 Å²	1	69.9 Å²	69.9	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.3	164.4	-78.1	156.6	0	0	0	107.9	I1176 L1194 W1212 A1216 L1218 L1246 H1306 F1308	I1176-L1298 HydrophobicContact CD1-CD2 3.72Å; L1194-L1298 HydrophobicContact CD1-CD1 3.64Å; L1194-L1298 HydrophobicContact CD1-CD2 4.31Å; L1194-L1298 HydrophobicContact CD2-CD1 4.26Å; W1212-L1298 HydrophobicContact CH2-CB 3.71Å; W1212-L1298 HydrophobicContact CH2-CD1 3.94Å; W1212-L1298 HydrophobicContact CH2-CG 4.33Å; W1212-L1298 HydrophobicContact CZ3-CB 4Å; W1212-L1298 HydrophobicContact CZ3-CD1 3.91Å; W1212-L1298 HydrophobicContact CZ3-CD2 4.28Å; W1212-L1298 HydrophobicContact CZ3-CG 4.28Å; A1216-L1298 HydrophobicContact CB-CD2 4.41Å; L1218-L1298 HydrophobicContact CD1-CD2 3.95Å; L1218-L1298 HydrophobicContact CD1-CG 4.24Å; L1246-L1298 HydrophobicContact CD1-CD1 4.23Å; L1246-L1298 HydrophobicContact CD2-CD1 3.78Å; L1298-H1306 PolarHBondContact N-O 2.87Å; L1298-H1306 PolarHBondContact O-N 3.05Å; L1298-F1308 HydrophobicContact CB-CE2 4.14Å; L1298-F1308 HydrophobicContact CD1-CD2 4.36Å; L1298-F1308 HydrophobicContact CD1-CE2 3.6Å; L1298-F1308 HydrophobicContact CD1-CZ 4Å; L1298-F1308 HydrophobicContact CG-CE2 4.26Å
1299	I	54.2	Low	46.7	Very low	37 Å²	37	67.1 Å²	67.1	19%	0.19	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.6	179.3	-56.4	179.7	0	0	0	107.3	Q1217 S1219	Q1217-I1299 HydrophobicContact CB-CB 4.25Å; Q1217-I1299 PolarHBondContact N-O 3.06Å; Q1217-I1299 PolarHBondContact O-N 3.28Å; S1219-I1299 WeakPolarHBondContact OG-CD1 3.29Å
1300	Y	48.1	Very low	46.7	Very low	48 Å²	48	62.3 Å²	62.3	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.3	172.7	-178.2	-113.5	0	0	0	111.3	M1211 W1212 R1302 R1304	M1211-Y1300 HydrophobicContact CB-CE1 4.44Å; M1211-Y1300 WeakPolarHBondContact O-CE1 3.26Å; M1211-Y1300 PolarHBondContact O-OH 2.96Å; W1212-Y1300 HydrophobicContact CB-CD2 4.15Å; W1212-Y1300 HydrophobicContact CB-CE2 4.4Å; W1212-Y1300 HydrophobicContact CB-CG 4.39Å; W1212-Y1300 AromaticContact CD1-CD1 3.6Å; W1212-Y1300 AromaticContact CD1-CG 3.73Å; W1212-Y1300 HydrophobicContact CD2-CG 4.43Å; W1212-Y1300 HydrophobicContact CG-CD1 4.21Å; W1212-Y1300 HydrophobicContact CG-CD2 4.16Å; W1212-Y1300 AromaticContact CG-CG 3.92Å; W1212-Y1300 HydrophobicContact CG-CG 3.92Å; Y1300-R1302 VanDerWaalsContact C-N 3.32Å; Y1300-R1302 PolarHBondContact O-N 2.89Å; Y1300-R1304 PolarHBondContact N-O 3.22Å; Y1300-R1304 PolarHBondContact O-N 2.95Å
1301	N	51	Low	46.6	Very low	111 Å²	111	63.1 Å²	63.1	59%	0.594	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.1	172.1	-148.7	-18.9	0	0	0	115	N1303	N1301-N1303 PolarHBondContact O-N 3.11Å
1302	R	48.2	Very low	46.8	Very low	234 Å²	234	66.2 Å²	66.2	88%	0.883	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-20.2	-178.5	-70.8	-174.3	173.3	-177.8	-1.8	117.8	Y1300	Y1300-R1302 VanDerWaalsContact C-N 3.32Å; Y1300-R1302 PolarHBondContact O-N 2.89Å
1303	N	38.4	Very low	46.7	Very low	151 Å²	151	66.5 Å²	66.5	81%	0.807	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-1.5	-165.4	-67	-20.8	0	0	0	113.9	N1301	N1301-N1303 PolarHBondContact O-N 3.11Å
1304	R	39.9	Very low	46.4	Very low	154 Å²	154	70.2 Å²	70.2	58%	0.581	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.9	175.1	-67.6	-170.9	179.7	-169.2	1	111.2	Y1300	Y1300-R1304 PolarHBondContact N-O 3.22Å; Y1300-R1304 PolarHBondContact O-N 2.95Å
1305	I	40.9	Very low	46.4	Very low	115 Å²	115	71.4 Å²	71.4	59%	0.59	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.8	173.9	-59.6	174.6	0	0	0	107.4	C1297	C1297-I1305 HydrophobicContact CB-CG2 3.91Å
1306	H	47.8	Very low	46.2	Very low	47 Å²	47	71.4 Å²	71.4	22%	0.218	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	102.3	166.5	-69.7	-87.9	0	0	0	107.9	W1212 L1298 F1308	W1212-H1306 HydrophobicContact CZ2-CB 4.41Å; W1212-H1306 AromaticContact CZ2-CD2 3.81Å; L1298-H1306 PolarHBondContact N-O 2.87Å; L1298-H1306 PolarHBondContact O-N 3.05Å; H1306-F1308 HydrophobicContact CB-CE2 4.04Å; H1306-F1308 WeakPolarHBondContact O-CD2 3.29Å; H1306-F1308 WeakPolarHBondContact O-CE2 3.49Å
1307	G	39.3	Very low	45.9	Very low	45 Å²	45	73.5 Å²	73.5	46%	0.464	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.9	175.5	0	0	0	0	0	110.7
1308	F	47.8	Very low	45.8	Very low	31 Å²	31	75.8 Å²	75.8	14%	0.136	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-92.8	117.2	-178.1	-71	-98	0	0	0	110.1	L1196 A1244 L1246 I1296 L1298 H1306	L1196-F1308 HydrophobicContact CD1-CE1 4.24Å; L1196-F1308 HydrophobicContact CD1-CZ 4.32Å; L1196-F1308 HydrophobicContact CD2-CE1 4.06Å; L1196-F1308 HydrophobicContact CD2-CZ 4.15Å; L1196-F1308 HydrophobicContact CG-CE1 3.99Å; L1196-F1308 HydrophobicContact CG-CZ 4.38Å; A1244-F1308 HydrophobicContact CB-CD1 4.38Å; A1244-F1308 HydrophobicContact CB-CE1 4.07Å; L1246-F1308 HydrophobicContact CB-CD1 4.18Å; L1246-F1308 HydrophobicContact CB-CE1 4.44Å; L1246-F1308 HydrophobicContact CD1-CD1 4.19Å; L1246-F1308 HydrophobicContact CD1-CE1 3.64Å; L1246-F1308 HydrophobicContact CD1-CZ 3.87Å; L1246-F1308 HydrophobicContact CD2-CD1 4.3Å; L1246-F1308 HydrophobicContact CD2-CD2 4.27Å; L1246-F1308 HydrophobicContact CD2-CE1 4.4Å; L1246-F1308 HydrophobicContact CD2-CE2 4.4Å; L1246-F1308 HydrophobicContact CD2-CG 4.24Å; L1246-F1308 HydrophobicContact CD2-CZ 4.45Å; L1246-F1308 HydrophobicContact CG-CD1 4.48Å; L1246-F1308 HydrophobicContact CG-CE1 4.39Å; I1296-F1308 PolarHBondContact O-N 3.41Å; L1298-F1308 HydrophobicContact CB-CE2 4.14Å; L1298-F1308 HydrophobicContact CD1-CD2 4.36Å; L1298-F1308 HydrophobicContact CD1-CE2 3.6Å; L1298-F1308 HydrophobicContact CD1-CZ 4Å; L1298-F1308 HydrophobicContact CG-CE2 4.26Å; H1306-F1308 HydrophobicContact CB-CE2 4.04Å; H1306-F1308 WeakPolarHBondContact O-CD2 3.29Å; H1306-F1308 WeakPolarHBondContact O-CE2 3.49Å
1309	V	40.4	Very low	45.5	Very low	23 Å²	23	77.2 Å²	77.2	14%	0.139	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-85.6	134.5	173.1	179.4	0	0	0	0	108.1	L1243	L1243-V1309 HydrophobicContact CD2-CB 4.11Å; L1243-V1309 HydrophobicContact CD2-CG1 4.09Å
1310	P	40.7	Very low	45.3	Very low	24 Å²	24	75.6 Å²	75.6	16%	0.156	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.8	151	-178.2	-26.9	35.4	0	0	0	114	I1276 D1312 S1313	I1276-P1310 HydrophobicContact CD1-CB 4.1Å; I1276-P1310 HydrophobicContact CG1-CB 3.46Å; I1276-P1310 VanDerWaalsContact CG1-CB 3.46Å; I1276-P1310 HydrophobicContact CG1-CG 3.76Å; P1310-D1312 PolarHBondContact O-N 3.24Å; P1310-D1312 VanDerWaalsContact O-N 3.15Å; P1310-S1313 PolarHBondContact O-N 2.99Å
1311	Y	37.7	Very low	45.4	Very low	147 Å²	147	76.9 Å²	76.9	58%	0.576	37%	0.371	S	S	*	.	S	Bend	trans	-53.3	-36.1	-176	-179.8	-103.6	0	0	0	113.9	R1245 S1313	R1245-Y1311 HydrophobicContact CG-CD2 3.7Å; R1245-Y1311 HydrophobicContact CG-CE2 4.31Å; R1245-Y1311 HydrophobicContact CG-CG 4.46Å; R1245-Y1311 VanDerWaalsContact NH2-CZ 3.35Å; Y1311-S1313 PolarHBondContact O-N 2.74Å
1312	D	47.7	Very low	45.3	Very low	81 Å²	81	75.5 Å²	75.5	43%	0.433	36%	0.362	S	S	.	.			trans	-97.5	76.5	171.2	-158.7	-26.6	0	0	0	111.2	P1310 E1314 Q1315 F1316	P1310-D1312 PolarHBondContact O-N 3.24Å; P1310-D1312 VanDerWaalsContact O-N 3.15Å; D1312-E1314 PolarHBondContact O-N 3.33Å; D1312-E1314 PolarHBondContact OD1-N 3.46Å; D1312-Q1315 HydrophobicContact CB-CB 3.96Å; D1312-Q1315 VanDerWaalsContact CG-CB 3.42Å; D1312-Q1315 PolarHBondContact O-N 2.89Å; D1312-Q1315 WeakPolarHBondContact OD1-CB 3.12Å; D1312-Q1315 PolarHBondContact OD1-N 2.82Å; D1312-F1316 PolarHBondContact O-N 2.95Å
1313	S	43.7	Very low	45.1	Very low	25 Å²	25	64.7 Å²	64.7	18%	0.175	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-20	177.3	61.4	0	0	0	0	113.2	P1310 Y1311 R1317	P1310-S1313 PolarHBondContact O-N 2.99Å; Y1311-S1313 PolarHBondContact O-N 2.74Å; S1313-R1317 WeakPolarHBondContact O-CB 3.44Å; S1313-R1317 WeakPolarHBondContact O-CD 3.47Å; S1313-R1317 WeakPolarHBondContact O-CG 3.42Å; S1313-R1317 PolarHBondContact O-N 3.13Å
1314	E	43.4	Very low	45.1	Very low	96 Å²	96	61.1 Å²	61.1	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-83.2	-34.9	176.3	-76.5	-59.3	123.6	0	0	112.2	D1312 R1317 Q1318	D1312-E1314 PolarHBondContact O-N 3.33Å; D1312-E1314 PolarHBondContact OD1-N 3.46Å; E1314-R1317 WeakPolarHBondContact OE1-CD 3.43Å; E1314-R1317 IonicContact OE1-CZ 3.73Å; E1314-R1317 IonicContact OE1-NE 2.66Å; E1314-R1317 IonicContact OE1-NH1 3.48Å; E1314-R1317 PolarHBondContact OE1-NH1 3.37Å; E1314-Q1318 WeakPolarHBondContact O-CB 3.49Å; E1314-Q1318 WeakPolarHBondContact O-CG 3.27Å; E1314-Q1318 PolarHBondContact O-N 3.03Å; E1314-Q1318 PolarHBondContact O-NE2 3.36Å
1315	Q	48.1	Very low	44.9	Very low	69 Å²	69	62.1 Å²	62.1	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-43.6	166.8	-169.1	62.4	44.7	0	0	110.3	I1276 D1312 R1317 Q1318 D1319	I1276-Q1315 HydrophobicContact CD1-CB 4.38Å; D1312-Q1315 HydrophobicContact CB-CB 3.96Å; D1312-Q1315 VanDerWaalsContact CG-CB 3.42Å; D1312-Q1315 PolarHBondContact O-N 2.89Å; D1312-Q1315 WeakPolarHBondContact OD1-CB 3.12Å; D1312-Q1315 PolarHBondContact OD1-N 2.82Å; Q1315-R1317 VanDerWaalsContact C-N 3.32Å; Q1315-R1317 PolarHBondContact O-N 2.9Å; Q1315-Q1318 CarbonylContact O-C 3.58Å; Q1315-Q1318 PolarHBondContact O-N 3.34Å; Q1315-Q1318 VanDerWaalsContact O-N 3.11Å; Q1315-D1319 PolarHBondContact NE2-OD1 2.88Å; Q1315-D1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-D1319 PolarHBondContact O-N 2.72Å
1316	F	49.1	Very low	44.8	Very low	16 Å²	16	60.5 Å²	60.5	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-42.1	174.4	-175.7	-117.7	0	0	0	112.8	I1276 V1293 F1295 D1312 I1320	I1276-F1316 HydrophobicContact CD1-CB 3.85Å; V1293-F1316 HydrophobicContact CG1-CE2 3.79Å; V1293-F1316 HydrophobicContact CG1-CZ 4Å; F1295-F1316 HydrophobicContact CE1-CE1 4.35Å; F1295-F1316 AromaticContact CE1-CZ 3.76Å; F1295-F1316 HydrophobicContact CE1-CZ 3.76Å; F1295-F1316 AromaticContact CZ-CZ 3.9Å; F1295-F1316 HydrophobicContact CZ-CZ 3.9Å; D1312-F1316 PolarHBondContact O-N 2.95Å; F1316-I1320 HydrophobicContact CD1-CD1 3.84Å; F1316-I1320 HydrophobicContact CD2-CD1 4.19Å; F1316-I1320 HydrophobicContact CE1-CD1 3.51Å; F1316-I1320 HydrophobicContact CE2-CD1 3.89Å; F1316-I1320 HydrophobicContact CG-CD1 4.18Å; F1316-I1320 HydrophobicContact CZ-CD1 3.55Å; F1316-I1320 WeakPolarHBondContact O-CD1 3.48Å; F1316-I1320 WeakPolarHBondContact O-CG1 3.19Å; F1316-I1320 PolarHBondContact O-N 2.79Å
1317	R	48.3	Very low	44.2	Very low	82 Å²	82	63.2 Å²	63.2	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-46.8	172.4	-80.6	166.5	171	167.6	1.8	112.1	S1313 E1314 Q1315 D1319 I1320 V1321	S1313-R1317 WeakPolarHBondContact O-CB 3.44Å; S1313-R1317 WeakPolarHBondContact O-CD 3.47Å; S1313-R1317 WeakPolarHBondContact O-CG 3.42Å; S1313-R1317 PolarHBondContact O-N 3.13Å; E1314-R1317 WeakPolarHBondContact OE1-CD 3.43Å; E1314-R1317 IonicContact OE1-CZ 3.73Å; E1314-R1317 IonicContact OE1-NE 2.66Å; E1314-R1317 IonicContact OE1-NH1 3.48Å; E1314-R1317 PolarHBondContact OE1-NH1 3.37Å; Q1315-R1317 VanDerWaalsContact C-N 3.32Å; Q1315-R1317 PolarHBondContact O-N 2.9Å; R1317-D1319 PolarHBondContact O-N 2.69Å; R1317-I1320 PolarHBondContact O-N 2.75Å; R1317-V1321 WeakPolarHBondContact O-CB 3.41Å; R1317-V1321 VanDerWaalsContact O-CG2 3.24Å; R1317-V1321 WeakPolarHBondContact O-CG2 3.28Å; R1317-V1321 PolarHBondContact O-N 3.17Å
1318	Q	50	Low	44	Very low	54 Å²	54	66.1 Å²	66.1	25%	0.252	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-43.6	176.5	-78	167	103.8	0	0	111.2	E1314 Q1315 I1320 V1321 M1322	E1314-Q1318 WeakPolarHBondContact O-CB 3.49Å; E1314-Q1318 WeakPolarHBondContact O-CG 3.27Å; E1314-Q1318 PolarHBondContact O-N 3.03Å; E1314-Q1318 PolarHBondContact O-NE2 3.36Å; Q1315-Q1318 CarbonylContact O-C 3.58Å; Q1315-Q1318 PolarHBondContact O-N 3.34Å; Q1315-Q1318 VanDerWaalsContact O-N 3.11Å; Q1318-I1320 PolarHBondContact O-N 3.05Å; Q1318-V1321 PolarHBondContact O-N 2.82Å; Q1318-M1322 WeakPolarHBondContact O-CB 3.47Å; Q1318-M1322 VanDerWaalsContact O-CG 3.28Å; Q1318-M1322 WeakPolarHBondContact O-CG 3.05Å; Q1318-M1322 PolarHBondContact O-N 3.19Å
1319	D	50.8	Low	43.2	Very low	32 Å²	32	76.1 Å²	76.1	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-36.5	179.3	-66.9	-10.9	0	0	0	112.8	Q1315 R1317 G1323	Q1315-D1319 PolarHBondContact NE2-OD1 2.88Å; Q1315-D1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-D1319 PolarHBondContact O-N 2.72Å; R1317-D1319 PolarHBondContact O-N 2.69Å; D1319-G1323 WeakPolarHBondContact O-CA 3.41Å; D1319-G1323 PolarHBondContact O-N 2.83Å
1320	I	50	Low	42.7	Very low	3 Å²	3	80.5 Å²	80.5	2%	0.015	39%	0.393	C	S	.	.	H	α-helix	trans	-70.3	-44.5	173.2	-70.2	163.7	0	0	0	110.9	V1230 F1316 R1317 Q1318 G1323 R1324	V1230-I1320 HydrophobicContact CG1-CD1 3.5Å; V1230-I1320 HydrophobicContact CG1-CG1 3.87Å; V1230-I1320 HydrophobicContact CG1-CG2 4.1Å; F1316-I1320 HydrophobicContact CD1-CD1 3.84Å; F1316-I1320 HydrophobicContact CD2-CD1 4.19Å; F1316-I1320 HydrophobicContact CE1-CD1 3.51Å; F1316-I1320 HydrophobicContact CE2-CD1 3.89Å; F1316-I1320 HydrophobicContact CG-CD1 4.18Å; F1316-I1320 HydrophobicContact CZ-CD1 3.55Å; F1316-I1320 WeakPolarHBondContact O-CD1 3.48Å; F1316-I1320 WeakPolarHBondContact O-CG1 3.19Å; F1316-I1320 PolarHBondContact O-N 2.79Å; R1317-I1320 PolarHBondContact O-N 2.75Å; Q1318-I1320 PolarHBondContact O-N 3.05Å; I1320-G1323 PolarHBondContact O-N 2.88Å; I1320-R1324 WeakPolarHBondContact O-CG 3.39Å; I1320-R1324 PolarHBondContact O-N 3.19Å
1321	V	50.9	Low	42.1	Very low	75 Å²	75	84.4 Å²	84.4	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-64.6	-47.9	179.5	169.1	0	0	0	0	110.7	R1317 Q1318 R1324 Y1325	R1317-V1321 WeakPolarHBondContact O-CB 3.41Å; R1317-V1321 VanDerWaalsContact O-CG2 3.24Å; R1317-V1321 WeakPolarHBondContact O-CG2 3.28Å; R1317-V1321 PolarHBondContact O-N 3.17Å; Q1318-V1321 PolarHBondContact O-N 2.82Å; V1321-R1324 PolarHBondContact O-N 3.02Å; V1321-Y1325 HydrophobicContact CG1-CD2 4.14Å; V1321-Y1325 HydrophobicContact CG1-CE2 3.74Å; V1321-Y1325 WeakPolarHBondContact O-CD2 3.49Å; V1321-Y1325 PolarHBondContact O-N 2.88Å
1322	M	47.8	Very low	41.7	Very low	82 Å²	82	84.9 Å²	84.9	40%	0.404	43%	0.433	S	S	.	.	H	α-helix	trans	-64.6	-39.9	174.1	-64.9	-161.3	-51.7	0	0	111.3	Q1318 R1324 Y1325 T1326	Q1318-M1322 WeakPolarHBondContact O-CB 3.47Å; Q1318-M1322 VanDerWaalsContact O-CG 3.28Å; Q1318-M1322 WeakPolarHBondContact O-CG 3.05Å; Q1318-M1322 PolarHBondContact O-N 3.19Å; M1322-R1324 VanDerWaalsContact C-N 3.35Å; M1322-R1324 PolarHBondContact O-N 3.46Å; M1322-Y1325 CarbonylContact O-C 2.78Å; M1322-Y1325 WeakPolarHBondContact O-CA 3.41Å; M1322-Y1325 PolarHBondContact O-N 3.15Å; M1322-T1326 PolarHBondContact O-N 2.88Å
1323	G	44.9	Very low	40.9	Very low	6 Å²	6	88.1 Å²	88.1	6%	0.062	45%	0.45	C	S	.	.	H	α-helix	trans	-54	-47.6	173.2	0	0	0	0	0	113	D1319 I1320 Y1325 T1326 N1327	D1319-G1323 WeakPolarHBondContact O-CA 3.41Å; D1319-G1323 PolarHBondContact O-N 2.83Å; I1320-G1323 PolarHBondContact O-N 2.88Å; G1323-Y1325 VanDerWaalsContact C-N 3.29Å; G1323-Y1325 PolarHBondContact O-N 2.7Å; G1323-T1326 WeakPolarHBondContact CA-OG1 3.42Å; G1323-T1326 PolarHBondContact O-N 2.87Å; G1323-T1326 VanDerWaalsContact O-N 3.09Å; G1323-T1326 PolarHBondContact O-OG1 3.17Å; G1323-N1327 PolarHBondContact O-N 3.2Å; G1323-N1327 VanDerWaalsContact O-N 3.12Å
1324	R	38.9	Very low	40.2	Very low	77 Å²	77	95.9 Å²	95.9	29%	0.291	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-32.1	175.9	-74.2	171.4	170.3	-136	-11.5	113	E1231 I1320 V1321 M1322	E1231-R1324 IonicContact OE1-CZ 3.86Å; E1231-R1324 VanDerWaalsContact OE1-CZ 3.23Å; E1231-R1324 IonicContact OE1-NH1 3.41Å; E1231-R1324 PolarHBondContact OE1-NH1 3.34Å; E1231-R1324 IonicContact OE1-NH2 2.74Å; E1231-R1324 PolarHBondContact OE1-NH2 2.85Å; I1320-R1324 WeakPolarHBondContact O-CG 3.39Å; I1320-R1324 PolarHBondContact O-N 3.19Å; V1321-R1324 PolarHBondContact O-N 3.02Å; M1322-R1324 VanDerWaalsContact C-N 3.35Å; M1322-R1324 PolarHBondContact O-N 3.46Å
1325	Y	35.1	Very low	39.4	Very low	175 Å²	175	97 Å²	97	69%	0.686	50%	0.499	S	S	*	.	H	α-helix	trans	-76.2	-31	171.5	-69.6	-61	0	0	0	113.5	V1321 M1322 G1323 T1328	V1321-Y1325 HydrophobicContact CG1-CD2 4.14Å; V1321-Y1325 HydrophobicContact CG1-CE2 3.74Å; V1321-Y1325 WeakPolarHBondContact O-CD2 3.49Å; V1321-Y1325 PolarHBondContact O-N 2.88Å; M1322-Y1325 CarbonylContact O-C 2.78Å; M1322-Y1325 WeakPolarHBondContact O-CA 3.41Å; M1322-Y1325 PolarHBondContact O-N 3.15Å; G1323-Y1325 VanDerWaalsContact C-N 3.29Å; G1323-Y1325 PolarHBondContact O-N 2.7Å; Y1325-T1328 PolarHBondContact O-OG1 2.74Å; Y1325-T1328 VanDerWaalsContact O-OG1 3.13Å
1326	T	38.3	Very low	38.3	Very low	80 Å²	80	99.1 Å²	99.1	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-69.8	-35.9	175.6	56.2	0	0	0	0	113.5	M1322 G1323 T1328	M1322-T1326 PolarHBondContact O-N 2.88Å; G1323-T1326 WeakPolarHBondContact CA-OG1 3.42Å; G1323-T1326 PolarHBondContact O-N 2.87Å; G1323-T1326 VanDerWaalsContact O-N 3.09Å; G1323-T1326 PolarHBondContact O-OG1 3.17Å; T1326-T1328 PolarHBondContact O-N 2.93Å
1327	N	35.8	Very low	37.2	Very low	105 Å²	105	105.4 Å²	105.4	56%	0.561	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-7.3	-175.9	-116.2	5.1	0	0	0	114.8	D1226 G1323	D1226-N1327 PolarHBondContact OD2-ND2 3.48Å; G1323-N1327 PolarHBondContact O-N 3.2Å; G1323-N1327 VanDerWaalsContact O-N 3.12Å
1328	T	34.1	Very low	36.3	Very low	106 Å²	106	108.8 Å²	108.8	65%	0.65	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	13.3	-171.4	50.5	0	0	0	0	114.7	Y1325 T1326	Y1325-T1328 PolarHBondContact O-OG1 2.74Å; Y1325-T1328 VanDerWaalsContact O-OG1 3.13Å; T1326-T1328 PolarHBondContact O-N 2.93Å
1329	R	30.8	Very low	35.2	Very low	241 Å²	241	113.9 Å²	113.9	91%	0.909	61%	0.606	S	S	*	*	S	Bend	trans	-135.4	9.8	-177.4	-130.4	176.3	-173.6	-173.9	0.3	117.5
1330	S	30.8	Very low	34	Very low	115 Å²	115	116.8 Å²	116.8	80%	0.804	63%	0.629	S	S	*	*			trans	-125.4	61.1	179	-175.2	0	0	0	0	112.4
1331	S	27.5	Very low	33	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	67%	0.668	S	S	*	*			trans	-141.9	58.4	-179.9	68.8	0	0	0	0	113
1332	N	30.7	Very low	32.1	Very low	156 Å²	156	128.3 Å²	128.3	83%	0.834	69%	0.687	S	S	*	*	S	Bend	trans	-125	121.1	166.7	-79.7	-33.1	0	0	0	109.4
1333	N	29.1	Very low	31.3	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	71%	0.709	S	S	*	*	S	Bend	trans	62.4	67.4	163.4	-56.7	-9	0	0	0	118.7
1334	M	29.6	Very low	30.5	Very low	189 Å²	189	133.2 Å²	133.2	93%	0.931	74%	0.739	S	S	*	*				-166.5	156.6	108.6	-105.7	168.6	-83.2	0	0	112.1
1335	T	27.7	Very low	30.1	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	76%	0.763	S	S	*	*			trans	-84.8	154.6	-169.6	30.3	0	0	0	0	114	D1337	T1335-D1337 PolarHBondContact O-N 3.38Å
1336	P	24.5	Very low	29.8	Very low	114 Å²	114	136 Å²	136	74%	0.74	77%	0.766	S	S	*	*			trans	-85.3	101.9	178.8	33.4	-32.6	0	0	0	111.7	L1338	P1336-L1338 VanDerWaalsContact C-N 3.27Å; P1336-L1338 PolarHBondContact O-N 3.39Å
1337	D	25.8	Very low	29.1	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	78%	0.78	S	S	*	*			trans	-75.7	79.8	171.1	-79.6	-22.3	0	0	0	111.2	T1335 N1339	T1335-D1337 PolarHBondContact O-N 3.38Å; D1337-N1339 PolarHBondContact O-N 2.68Å
1338	L	28.8	Very low	28.6	Very low	153 Å²	153	144.1 Å²	144.1	80%	0.801	79%	0.792	S	S	*	*			trans	-64.7	86.7	158.1	-84.5	168	0	0	0	108.5	P1336 S1340	P1336-L1338 VanDerWaalsContact C-N 3.27Å; P1336-L1338 PolarHBondContact O-N 3.39Å; L1338-S1340 PolarHBondContact O-N 3.44Å
1339	N	26.5	Very low	28.1	Very low	161 Å²	161	149.8 Å²	149.8	86%	0.861	80%	0.802	S	S	*	*			trans	-79.3	64.7	-173.5	-148.5	-7.5	0	0	0	111.6	D1337	D1337-N1339 PolarHBondContact O-N 2.68Å
1340	S	26.9	Very low	27.9	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	79%	0.792	S	S	*	*			trans	-123.3	82	176.2	63.5	0	0	0	0	110.1	L1338	L1338-S1340 PolarHBondContact O-N 3.44Å
1341	N	29.5	Very low	27.7	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	80%	0.795	S	S	*	*			trans	-149.2	132.3	160.5	-101.5	-42.7	0	0	0	111.3
1342	L	31.8	Very low	27.8	Very low	163 Å²	163	146.5 Å²	146.5	85%	0.853	79%	0.788	S	S	*	*			trans	-74.9	148.5	167.3	-80.2	70	0	0	0	109.4
1343	S	29.7	Very low	27.5	Very low	125 Å²	125	146.1 Å²	146.1	87%	0.874	79%	0.786	S	S	*	*			trans	9.4	121.6	144.8	-178.1	0	0	0	0	118.1
1344	G	29.2	Very low	27.4	Very low	66 Å²	66	145 Å²	145	68%	0.68	79%	0.79	S	S	*	*			trans	163.6	70.1	158.9	0	0	0	0	0	119
1345	N	29.6	Very low	27.3	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	79%	0.785	S	S	*	*			trans	58.3	118.2	149.5	-61.6	-19	0	0	0	121.5
1346	H	28.6	Very low	27.3	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.745	79%	0.787	S	S	*	*			trans	65.5	107.4	144.1	-78.5	-81.6	0	0	0	121.5
1347	F	23.6	Very low	27.4	Very low	178 Å²	178	147.2 Å²	147.2	78%	0.781	79%	0.786	S	S	*	*				24.8	123.8	108.1	-64.2	-79	0	0	0	116
1348	Q	26.1	Very low	27.6	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	79%	0.787	S	S	*	*				-163.1	140.1	52.1	-126.5	157.1	40.5	0	0	114.6
1349	R	23.3	Very low	27.6	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.849	79%	0.787	S	S	*	*			trans	-8.6	144.5	142	-163	-165.4	-62.1	-140	-1.2	117.3
1350	V	26	Very low	27.7	Very low	117 Å²	117	141.1 Å²	141.1	71%	0.709	77%	0.769	S	S	*	*			trans	128.9	108.1	145.6	175.7	0	0	0	0	116.6
1351	H	26.3	Very low	27.9	Very low	184 Å²	184	144.5 Å²	144.5	85%	0.852	77%	0.774	S	S	*	*			trans	78.4	159	147.1	-88.1	-123.5	0	0	0	123.4
1352	P	29.5	Very low	27.8	Very low	92 Å²	92	142.6 Å²	142.6	60%	0.597	77%	0.768	S	S	*	*			trans	-112.5	-177.6	-163.1	44.1	-35.7	0	0	0	114.9
1353	N	24.9	Very low	27.6	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	76%	0.758	S	S	*	*			trans	66.6	93.4	161.4	-60.9	-14.9	0	0	0	117.5
1354	S	27.6	Very low	27.4	Very low	126 Å²	126	140.3 Å²	140.3	88%	0.881	76%	0.756	S	S	*	*			trans	-157.5	142.9	131.8	-85.7	0	0	0	0	113.2
1355	Q	27	Very low	27.3	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	77%	0.767	S	S	*	*			trans	-57	161.5	178	-63	152.6	-11.2	0	0	111.8
1356	T	27.2	Very low	27.4	Very low	126 Å²	126	138.8 Å²	138.8	77%	0.773	77%	0.765	S	S	*	*				-163.1	161.8	57.7	-57.1	0	0	0	0	113.2
1357	F	28	Very low	27.3	Very low	163 Å²	163	137.1 Å²	137.1	72%	0.715	77%	0.766	S	S	*	*			trans	-53	159.2	175.1	-71.2	-105.4	0	0	0	113.7
1358	S	28.8	Very low	27.2	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	77%	0.768	S	S	*	*				-174.4	169	60.4	-58.8	0	0	0	0	111.9
1359	Q	29.1	Very low	27.1	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	76%	0.764	S	S	*	*			cis	-178.6	138	-31.2	176.8	175.4	-93.6	0	0	108.3
1360	G	28	Very low	27.2	Very low	46 Å²	46	130.9 Å²	130.9	47%	0.474	76%	0.76	S	S	.	*			trans	163	90.9	167.4	0	0	0	0	0	117.7
1361	H	31	Very low	27.1	Very low	164 Å²	164	131.9 Å²	131.9	76%	0.759	76%	0.76	S	S	*	*			trans	52.5	147.9	132.8	-108.7	-22.6	0	0	0	120.7	D1363	H1361-D1363 IonicContact CE1-OD1 3.92Å; H1361-D1363 PolarHBondContact CE1-OD1 3.34Å; H1361-D1363 IonicContact CE1-OD2 3.58Å; H1361-D1363 IonicContact ND1-OD1 3.72Å; H1361-D1363 PolarHBondContact ND1-OD1 3.39Å
1362	V	29	Very low	27	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.715	76%	0.755	S	S	*	*			cis	-143.1	123.5	18.3	-166.7	0	0	0	0	112.7
1363	D	27.1	Very low	26.9	Very low	120 Å²	120	130.2 Å²	130.2	64%	0.642	76%	0.759	S	S	*	*			trans	42.5	130.4	140.3	-45.4	-2.5	0	0	0	125.7	H1361	H1361-D1363 IonicContact CE1-OD1 3.92Å; H1361-D1363 PolarHBondContact CE1-OD1 3.34Å; H1361-D1363 IonicContact CE1-OD2 3.58Å; H1361-D1363 IonicContact ND1-OD1 3.72Å; H1361-D1363 PolarHBondContact ND1-OD1 3.39Å
1364	S	24.7	Very low	26.9	Very low	120 Å²	120	128.3 Å²	128.3	84%	0.839	75%	0.746	S	S	*	*				77.5	76.3	129.2	-64.9	0	0	0	0	123.8
1365	A	28.7	Very low	26.8	Very low	109 Å²	109	130.7 Å²	130.7	90%	0.901	74%	0.737	S	S	*	*				-161.4	150.2	129.4	0	0	0	0	0	109
1366	G	30.4	Very low	26.8	Very low	75 Å²	75	128.9 Å²	128.9	77%	0.773	73%	0.73	S	S	*	*			cis	168.2	51.9	1	0	0	0	0	0	110.4
1367	T	26.3	Very low	26.8	Very low	126 Å²	126	128.6 Å²	128.6	77%	0.773	72%	0.724	S	S	*	*			trans	-129.1	107.9	-162.6	-47.8	0	0	0	0	113
1368	M	22	Very low	26.9	Very low	165 Å²	165	126.6 Å²	126.6	81%	0.813	73%	0.725	S	S	*	*			trans	-177.9	148.5	131.3	-90.9	-124.2	-69.6	0	0	111.9
1369	L	23.8	Very low	27.1	Very low	142 Å²	142	126.2 Å²	126.2	74%	0.743	72%	0.72	S	S	*	*			trans	-9	128.6	152	-55.2	164.4	0	0	0	116.5
1370	N	25.1	Very low	27.2	Very low	142 Å²	142	125.7 Å²	125.7	76%	0.759	72%	0.717	S	S	*	*				-168.1	136.8	114	-100.7	-15.1	0	0	0	115
1371	I	24.9	Very low	27.3	Very low	138 Å²	138	130 Å²	130	71%	0.708	73%	0.727	S	S	*	*			trans	42.9	126.1	133.2	-43.7	167	0	0	0	118.9
1372	N	24.5	Very low	27.4	Very low	141 Å²	141	122.8 Å²	122.8	75%	0.754	70%	0.696	S	S	*	*			trans	-15.5	175.8	137.1	-100.9	-27.1	0	0	0	119
1373	S	26	Very low	27.6	Very low	99 Å²	99	119.5 Å²	119.5	69%	0.692	68%	0.675	S	S	*	*			trans	77.4	84.7	163.9	-52.1	0	0	0	0	116
1374	Q	25.2	Very low	27.8	Very low	110 Å²	110	117.1 Å²	117.1	51%	0.514	66%	0.662	S	S	.	*				37	153.9	114.4	-52.7	-173	-21.4	0	0	121.6	S211	S211-Q1374 PolarHBondContact O-NE2 2.9Å; S211-Q1374 PolarHBondContact OG-NE2 3.45Å; S211-Q1374 PolarHBondContact OG-OE1 3.36Å; S211-Q1374 VanDerWaalsContact OG-OE1 3.11Å
1375	Y	25.8	Very low	28.2	Very low	176 Å²	176	114.9 Å²	114.9	69%	0.69	64%	0.641	S	S	*	*			trans	80.1	101.5	164	-73.2	-86.5	0	0	0	119
1376	M	26.5	Very low	28.4	Very low	139 Å²	139	114.2 Å²	114.2	69%	0.685	62%	0.622	S	S	*	*			trans	85.6	119.3	130.7	-62.5	-69.2	-176.3	0	0	121.1
1377	N	28.3	Very low	28.4	Very low	121 Å²	121	117.2 Å²	117.2	65%	0.647	62%	0.619	S	S	*	*				67.6	97.8	127.9	-59.8	-8.4	0	0	0	120.4
1378	T	30	Very low	28.9	Very low	120 Å²	120	115.9 Å²	115.9	74%	0.736	61%	0.612	S	S	*	*				35.3	150.8	102.6	64.5	0	0	0	0	120.4
1379	P	32.2	Very low	29.4	Very low	106 Å²	106	114 Å²	114	69%	0.688	61%	0.612	S	S	*	*			cis	-145.8	-165.1	-28.8	39.6	-19	0	0	0	113.1
1380	H	31.3	Very low	29.7	Very low	163 Å²	163	115.4 Å²	115.4	76%	0.755	61%	0.608	S	S	*	*			trans	33.7	158.3	133.3	-81.2	-21.8	0	0	0	123.2
1381	M	30.2	Very low	29.9	Very low	137 Å²	137	113.1 Å²	113.1	68%	0.675	60%	0.595	S	S	*	*			cis	-163.1	160.2	8.4	-132.8	-158.4	-150.8	0	0	112.4
1382	G	32.7	Very low	30.3	Very low	11 Å²	11	112.3 Å²	112.3	11%	0.113	60%	0.599	C	S	.	*				98.8	147.1	110.9	0	0	0	0	0	121.1	S1075 S1076	S1075-G1382 WeakPolarHBondContact CB-O 3.25Å; S1075-G1382 PolarHBondContact OG-O 3.05Å; S1076-G1382 VanDerWaalsContact N-C 3.32Å; S1076-G1382 PolarHBondContact N-O 2.86Å; S1076-G1382 VanDerWaalsContact N-O 3.12Å; S1076-G1382 PolarHBondContact OG-N 2.82Å; S1076-G1382 VanDerWaalsContact OG-N 3.17Å
1383	N	33.2	Very low	30.6	Very low	50 Å²	50	108.7 Å²	108.7	27%	0.267	59%	0.585	S	S	.	*			trans	147.2	68.7	131	-45.4	54.5	0	0	0	121.4	S1076 L1078	S1076-N1383 CarbonylContact O-C 3.56Å; S1076-N1383 WeakPolarHBondContact O-CA 3.44Å; S1076-N1383 PolarHBondContact O-N 2.91Å; S1076-N1383 VanDerWaalsContact O-O 3.14Å; L1078-N1383 WeakPolarHBondContact CD1-ND2 3.24Å
1384	N	32.2	Very low	30.9	Very low	70 Å²	70	109.3 Å²	109.3	37%	0.374	59%	0.586	S	S	.	*			trans	74.2	154.1	158.2	-58.5	-18.7	0	0	0	119.7	S1076	S1076-N1384 PolarHBondContact O-N 2.85Å; S1076-N1384 VanDerWaalsContact O-N 3.16Å
1385	N	32.8	Very low	31	Very low	73 Å²	73	107.3 Å²	107.3	39%	0.39	58%	0.584	S	S	.	*			cis	-153.9	-140	-14.8	-97.7	9	0	0	0	107.1	L1078	L1078-N1385 PolarHBondContact O-OD1 3.31Å; L1078-N1385 VanDerWaalsContact O-OD1 3.09Å
1386	N	33	Very low	31.2	Very low	94 Å²	94	105.3 Å²	105.3	50%	0.503	59%	0.585	S	S	.	*			cis	-152.5	122.6	-4.5	-88.9	-52.1	0	0	0	108.3	N1050	N1050-N1386 PolarHBondContact OD1-ND2 2.93Å
1387	I	30.8	Very low	31.4	Very low	139 Å²	139	103.4 Å²	103.4	71%	0.713	59%	0.585	S	S	*	*				88.5	126.8	100.5	-65.9	175.1	0	0	0	118.3
1388	P	36.6	Very low	31.5	Very low	97 Å²	97	102.8 Å²	102.8	63%	0.63	59%	0.586	S	S	*	*			trans	-121.3	-167.1	-174.1	45.8	-35.2	0	0	0	115.9
1389	P	33.2	Very low	31.4	Very low	126 Å²	126	102.4 Å²	102.4	82%	0.818	58%	0.579	S	S	*	*				-154.8	138.3	123.5	37	-17.8	0	0	0	120.8
1390	R	29.8	Very low	31.3	Very low	171 Å²	171	103.4 Å²	103.4	65%	0.645	59%	0.586	S	S	*	*			trans	28.7	134	139.6	-83.3	-175	-176.3	165.1	1.2	127.7
1391	D	29.2	Very low	31.1	Very low	94 Å²	94	99 Å²	99	50%	0.503	57%	0.571	S	S	.	*				49.1	160.4	122.4	-86.1	-39.5	0	0	0	123.7
1392	P	33.7	Very low	31.1	Very low	122 Å²	122	103.4 Å²	103.4	79%	0.792	58%	0.581	S	S	*	*			cis	-143.5	-174.6	26.6	43.2	-22.3	0	0	0	119.9
1393	S	29.7	Very low	30.7	Very low	64 Å²	64	109.4 Å²	109.4	45%	0.448	61%	0.606	S	S	.	*			trans	-74.4	173.6	-179.4	-22.2	0	0	0	0	117	N1085	N1085-S1393 VanDerWaalsContact O-CB 3.28Å; N1085-S1393 WeakPolarHBondContact O-CB 3.47Å; N1085-S1393 PolarHBondContact O-OG 3.01Å
1394	P	33.2	Very low	30.5	Very low	112 Å²	112	117.8 Å²	117.8	73%	0.727	64%	0.636	S	S	*	*				-162.7	154	81.5	41.7	-19.9	0	0	0	122
1395	C	26	Very low	30.2	Very low	69 Å²	69	120.7 Å²	120.7	47%	0.466	65%	0.647	S	S	.	*			trans	52.1	158.1	137.5	-54.4	0	0	0	0	126.4	I1087	I1087-C1395 VanDerWaalsContact O-CA 3.3Å; I1087-C1395 WeakPolarHBondContact O-CA 3.47Å
1396	N	30.9	Very low	29.8	Very low	134 Å²	134	122.6 Å²	122.6	72%	0.717	66%	0.657	S	S	*	*			trans	81.6	144.5	166.8	-58.3	-13.7	0	0	0	117.6	I1087	I1087-N1396 PolarHBondContact O-N 3.21Å
1397	S	31.4	Very low	29.4	Very low	98 Å²	98	125.8 Å²	125.8	69%	0.685	67%	0.669	S	S	*	*			cis	-165	142.8	-12.9	52	0	0	0	0	113.6
1398	V	29.1	Very low	29.3	Very low	109 Å²	109	124.6 Å²	124.6	66%	0.661	67%	0.673	S	S	*	*			trans	41	108.7	138.5	-174.2	0	0	0	0	119.1
1399	N	27.6	Very low	28.9	Very low	111 Å²	111	124.5 Å²	124.5	59%	0.594	68%	0.675	S	S	*	*				79.3	143.4	80.2	-147.8	14.1	0	0	0	115	T1401	N1399-T1401 VanDerWaalsContact CG-OG1 3.25Å; N1399-T1401 PolarHBondContact ND2-OG1 3.04Å; N1399-T1401 PolarHBondContact OD1-N 3.06Å; N1399-T1401 PolarHBondContact OD1-OG1 3.39Å
1400	P	31	Very low	28.7	Very low	128 Å²	128	126.2 Å²	126.2	83%	0.831	67%	0.672	S	S	*	*				-131.4	159.1	95.9	39.4	-32.7	0	0	0	115
1401	T	27	Very low	28.6	Very low	70 Å²	70	125.2 Å²	125.2	43%	0.429	68%	0.678	S	S	.	*			trans	-127.8	133.2	-170.9	-74.2	0	0	0	0	112	N1399 Q1403	N1399-T1401 VanDerWaalsContact CG-OG1 3.25Å; N1399-T1401 PolarHBondContact ND2-OG1 3.04Å; N1399-T1401 PolarHBondContact OD1-N 3.06Å; N1399-T1401 PolarHBondContact OD1-OG1 3.39Å; T1401-Q1403 HydrophobicContact CG2-CB 3.93Å; T1401-Q1403 HydrophobicContact CG2-CG 3.79Å
1402	Y	30.7	Very low	28.5	Very low	229 Å²	229	125 Å²	125	90%	0.898	68%	0.681	S	S	*	*			trans	-147.5	118.6	153.3	-73	-72.3	0	0	0	105.2
1403	Q	24.8	Very low	28	Very low	137 Å²	137	128.3 Å²	128.3	64%	0.64	69%	0.686	S	S	*	*			cis	75.8	72.5	20.9	-88.9	-161.7	-19.6	0	0	117.4	T1401	T1401-Q1403 HydrophobicContact CG2-CB 3.93Å; T1401-Q1403 HydrophobicContact CG2-CG 3.79Å
1404	Y	28.7	Very low	27.8	Very low	226 Å²	226	134.7 Å²	134.7	89%	0.886	70%	0.702	S	S	*	*			trans	-138.9	116	131.4	-93.6	-87.5	0	0	0	106.2
1405	Q	24.9	Very low	27.4	Very low	132 Å²	132	136.8 Å²	136.8	62%	0.617	70%	0.704	S	S	*	*			cis	101.1	130.8	15.7	-159	-175.2	-4.7	0	0	114.6
1406	N	24.4	Very low	27.5	Very low	113 Å²	113	139.4 Å²	139.4	60%	0.604	72%	0.72	S	S	*	*			trans	83	108	166.5	-75.3	-43.8	0	0	0	121.2
1407	Q	26	Very low	27.2	Very low	160 Å²	160	140.2 Å²	140.2	75%	0.748	72%	0.719	S	S	*	*				87.6	143.8	126.2	-65.7	169	39.8	0	0	120.8
1408	S	27.6	Very low	26.9	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	72%	0.724	S	S	*	*			trans	65.6	149	172.8	-58	0	0	0	0	115.5
1409	S	28	Very low	26.9	Very low	94 Å²	94	147 Å²	147	66%	0.657	74%	0.737	S	S	*	*			cis	-176.5	149	-14.9	45.7	0	0	0	0	106.4
1410	H	28.3	Very low	26.8	Very low	162 Å²	162	148.2 Å²	148.2	75%	0.75	74%	0.743	S	S	*	*			cis	-165.1	152	0.2	-112.1	-46.1	0	0	0	108.5
1411	I	29.6	Very low	26.5	Very low	151 Å²	151	146.5 Å²	146.5	77%	0.774	73%	0.734	S	S	*	*			trans	71.9	142.6	144.5	-69.3	167.2	0	0	0	117
1412	P	25.2	Very low	26.5	Very low	88 Å²	88	150.6 Å²	150.6	57%	0.571	75%	0.748	S	S	*	*				-136.3	174.4	-127.8	44.5	-30.7	0	0	0	117.6	Y1414	P1412-Y1414 HydrophobicContact CB-CD2 3.86Å; P1412-Y1414 HydrophobicContact CG-CD2 3.78Å; P1412-Y1414 HydrophobicContact CG-CG 4.37Å; P1412-Y1414 PolarHBondContact O-N 3.33Å; P1412-Y1414 VanDerWaalsContact O-N 3.14Å
1413	Q	24.5	Very low	26.3	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	74%	0.737	S	S	*	*	S	Bend	trans	-62	96	140.2	-71.3	-179.1	-13.9	0	0	109.7
1414	Y	24.7	Very low	26.4	Very low	198 Å²	198	142.6 Å²	142.6	78%	0.776	73%	0.733	S	S	*	*			trans	-150.9	124.2	156	-88.3	-66.4	0	0	0	112.1	P1412 P1416	P1412-Y1414 HydrophobicContact CB-CD2 3.86Å; P1412-Y1414 HydrophobicContact CG-CD2 3.78Å; P1412-Y1414 HydrophobicContact CG-CG 4.37Å; P1412-Y1414 PolarHBondContact O-N 3.33Å; P1412-Y1414 VanDerWaalsContact O-N 3.14Å; Y1414-P1416 WeakPolarHBondContact O-CD 3.43Å
1415	M	24.4	Very low	26.4	Very low	156 Å²	156	139.5 Å²	139.5	77%	0.768	73%	0.732	S	S	*	*			trans	-77.4	126.5	144.5	-65.7	175.4	68.9	0	0	108.1	Q1417	M1415-Q1417 HydrophobicContact CE-CG 4.34Å
1416	P	28.9	Very low	26.7	Very low	124 Å²	124	139 Å²	139	81%	0.805	74%	0.74	S	S	*	*			trans	-90.2	96.2	153.6	1	19.5	0	0	0	107.2	Y1414 H1418	Y1414-P1416 WeakPolarHBondContact O-CD 3.43Å; P1416-H1418 PolarHBondContact O-N 3.24Å
1417	Q	25.4	Very low	26.9	Very low	151 Å²	151	139.7 Å²	139.7	71%	0.706	75%	0.751	S	S	*	*			trans	-61.6	133.8	159.8	-85.3	-168.8	5.1	0	0	108.8	M1415	M1415-Q1417 HydrophobicContact CE-CG 4.34Å
1418	H	24.9	Very low	27.1	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.787	76%	0.757	S	S	*	*			trans	50.8	116.4	163.5	-70.2	-104.7	0	0	0	118.3	P1416	P1416-H1418 PolarHBondContact O-N 3.24Å
1419	I	28.9	Very low	27	Very low	180 Å²	180	141.4 Å²	141.4	92%	0.923	76%	0.755	S	S	*	*				-149.5	156.7	115.3	-101.4	148.9	0	0	0	108.1
1420	N	25.4	Very low	27	Very low	136 Å²	136	144.8 Å²	144.8	73%	0.727	76%	0.76	S	S	*	*			trans	-124.8	148	-160.8	-172.1	3.1	0	0	0	111.7
1421	S	24.6	Very low	27.1	Very low	92 Å²	92	144 Å²	144	64%	0.643	76%	0.76	S	S	*	*			trans	76.4	157.7	158.5	-61.3	0	0	0	0	119.5
1422	Q	26.8	Very low	26.9	Very low	156 Å²	156	144.6 Å²	144.6	73%	0.729	76%	0.764	S	S	*	*			trans	65.8	97.9	173.8	-53.2	-170.7	2	0	0	114.7
1423	A	25.8	Very low	27.2	Very low	80 Å²	80	143.6 Å²	143.6	66%	0.661	77%	0.77	S	S	*	*			cis	77.5	97.5	30.1	0	0	0	0	0	115.9
1424	Q	27.5	Very low	27.3	Very low	117 Å²	117	141.4 Å²	141.4	55%	0.547	76%	0.764	S	S	.	*			trans	-171.3	136.5	148.2	-101.4	141.8	77.9	0	0	112.6	M1689 S1690	Q1424-M1689 PolarHBondContact NE2-O 2.92Å; Q1424-S1690 WeakPolarHBondContact CG-OG 3.25Å; Q1424-S1690 PolarHBondContact OE1-OG 3.34Å
1425	N	28.2	Very low	27.6	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	77%	0.768	S	S	*	*			trans	-113.3	141.6	163.9	-79.3	-31.3	0	0	0	108.9
1426	P	31.3	Very low	27.6	Very low	122 Å²	122	134.5 Å²	134.5	79%	0.792	76%	0.758	S	S	*	*			trans	-93.2	164.9	147.6	-13.6	31.9	0	0	0	112.1
1427	P	29.7	Very low	27.7	Very low	127 Å²	127	138.8 Å²	138.8	83%	0.825	76%	0.76	S	S	*	*			trans	-116.1	178.6	-151.6	42.2	-34.8	0	0	0	117.4
1428	K	28.7	Very low	27.8	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	77%	0.765	S	S	*	*			trans	-57.4	149.4	174.4	-53.8	173.2	178.4	-179.4	0	114.6
1429	S	27.3	Very low	28.2	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	76%	0.757	S	S	*	*			trans	175.5	153.1	143.1	35.5	0	0	0	0	109.1
1430	Q	27.5	Very low	28.2	Very low	166 Å²	166	134.1 Å²	134.1	78%	0.776	75%	0.746	S	S	*	*			cis	-164.5	166.1	-10.6	-119.6	179	1	0	0	109.4
1431	I	29.3	Very low	28.4	Very low	145 Å²	145	135.5 Å²	135.5	74%	0.744	75%	0.748	S	S	*	*			trans	69	156.9	152	-71.7	161.2	0	0	0	117.3
1432	L	27.1	Very low	28.7	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	75%	0.752	S	S	*	*			cis	-177.2	146.6	-43.3	-159.6	74.9	0	0	0	106.8
1433	G	29.8	Very low	28.9	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	75%	0.746	S	S	*	*			trans	143.5	76.9	161.1	0	0	0	0	0	120.4
1434	N	26.7	Very low	29.1	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	75%	0.751	S	S	*	*			trans	36.1	152.4	131.4	-62.7	6.1	0	0	0	125
1435	T	31.7	Very low	29.1	Very low	140 Å²	140	144.8 Å²	144.8	86%	0.859	77%	0.765	S	S	*	*			trans	68.5	150.1	155.6	48.1	0	0	0	0	119.4
1436	A	25.6	Very low	29	Very low	69 Å²	69	142 Å²	142	57%	0.57	76%	0.759	S	S	*	*			cis	-171.8	169.5	-24.9	0	0	0	0	0	110.2
1437	Y	29.3	Very low	28.9	Very low	215 Å²	215	142.5 Å²	142.5	84%	0.843	76%	0.759	S	S	*	*			trans	68.8	129.8	177.8	-57.9	-90.8	0	0	0	114.9
1438	Q	28.2	Very low	28.9	Very low	174 Å²	174	142 Å²	142	81%	0.813	76%	0.756	S	S	*	*			cis	87.1	144.3	43.1	-78.8	-136	-14.4	0	0	114.7
1439	P	33.1	Very low	28.6	Very low	95 Å²	95	137.7 Å²	137.7	62%	0.617	75%	0.752	S	S	*	*			cis	-141.1	-154.3	-42.7	34.3	-11.9	0	0	0	112.7
1440	I	29.1	Very low	28.7	Very low	133 Å²	133	138 Å²	138	68%	0.682	75%	0.751	S	S	*	*			trans	94.6	107.1	155.6	-66	156.7	0	0	0	120.1
1441	Q	29	Very low	28.8	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	75%	0.749	S	S	*	*			trans	61	157.6	142.9	-61.4	173.5	15.6	0	0	119.5
1442	L	31.5	Very low	28.6	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	75%	0.749	S	S	*	*			cis	-142.1	140.1	18.4	-127.9	123.7	0	0	0	113.3
1443	N	30.1	Very low	28.7	Very low	116 Å²	116	137 Å²	137	62%	0.62	75%	0.747	S	S	*	*			trans	31.6	121.6	155.3	-75.2	-33.7	0	0	0	124.8
1444	Q	31	Very low	28.7	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.762	75%	0.753	S	S	*	*				65.9	142.6	123.9	-61.4	176.5	52.2	0	0	121.2
1445	R	27.2	Very low	28.8	Very low	223 Å²	223	141.9 Å²	141.9	84%	0.842	75%	0.751	S	S	*	*			cis	-163.7	111.4	-26.1	-156.4	179.5	-169	-154.3	3.5	105.5
1446	S	27	Very low	28.7	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	75%	0.748	S	S	*	*				39.2	128.1	99.3	-45.6	0	0	0	0	114
1447	T	29.1	Very low	28.8	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	76%	0.759	S	S	*	*			cis	-143.7	148.7	40.7	48.5	0	0	0	0	115.5
1448	P	28	Very low	28.7	Very low	116 Å²	116	145 Å²	145	75%	0.753	76%	0.761	S	S	*	*			trans	-87.8	170.8	160.5	38.5	-34.7	0	0	0	112.3
1449	S	23.6	Very low	28.7	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	76%	0.763	S	S	*	*			trans	-61.4	152.5	159.2	-39.7	0	0	0	0	110.5
1450	P	28.6	Very low	28.3	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	77%	0.768	S	S	*	*				-155.9	-177.9	84	42.3	-22.9	0	0	0	117.2
1451	H	29.5	Very low	28.1	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.736	77%	0.773	S	S	*	*			trans	-6.2	145.5	156.3	-70	-74.9	0	0	0	122.8
1452	N	25.3	Very low	27.9	Very low	139 Å²	139	138 Å²	138	74%	0.743	77%	0.77	S	S	*	*			trans	44.9	116.6	135.2	-55.8	-10	0	0	0	119.3
1453	L	29.2	Very low	27.6	Very low	157 Å²	157	141.1 Å²	141.1	82%	0.822	77%	0.774	S	S	*	*				-167.6	139.9	113.8	-102.5	156.6	0	0	0	111.5
1454	H	29.6	Very low	27.4	Very low	178 Å²	178	143.4 Å²	143.4	82%	0.824	78%	0.782	S	S	*	*			trans	-133.1	101.6	150	-105.7	41.2	0	0	0	106.4
1455	D	29.8	Very low	27.3	Very low	137 Å²	137	139.5 Å²	139.5	73%	0.733	77%	0.771	S	S	*	*			trans	38	140.1	130.8	-55.9	-25.9	0	0	0	120.7
1456	N	28.6	Very low	27.1	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.77	S	S	*	*			trans	-137.1	112.1	175.6	-138.7	-19	0	0	0	111.4
1457	L	28.3	Very low	27.1	Very low	155 Å²	155	142.5 Å²	142.5	81%	0.812	78%	0.776	S	S	*	*	S	Bend	trans	83.8	136.6	161.7	-55.3	169	0	0	0	119.6
1458	Q	28.1	Very low	26.9	Very low	188 Å²	188	140.3 Å²	140.3	88%	0.879	76%	0.764	S	S	*	*	S	Bend	trans	65.6	112.1	175.6	-66.7	-179.6	-25.1	0	0	115.5
1459	T	27.2	Very low	26.8	Very low	140 Å²	140	141.5 Å²	141.5	86%	0.859	76%	0.763	S	S	*	*	S	Bend	cis	-153.7	149.7	-1.1	46.9	0	0	0	0	109.1
1460	G	25.3	Very low	26.8	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	76%	0.763	S	S	*	*			cis	171.8	170.3	-2.4	0	0	0	0	0	111.5
1461	A	24.6	Very low	26.7	Very low	96 Å²	96	143.5 Å²	143.5	79%	0.793	76%	0.761	S	S	*	*			trans	71.7	122	175.4	0	0	0	0	0	119.8
1462	T	24.4	Very low	26.5	Very low	115 Å²	115	144.6 Å²	144.6	71%	0.706	77%	0.767	S	S	*	*			trans	72.8	120.1	151.5	28.5	0	0	0	0	122.3
1463	Y	25.1	Very low	26.5	Very low	203 Å²	203	144.6 Å²	144.6	80%	0.796	77%	0.765	S	S	*	*			trans	54.9	120.9	156.1	-60.1	-68.3	0	0	0	118
1464	M	27	Very low	26.2	Very low	163 Å²	163	142.3 Å²	142.3	80%	0.803	76%	0.762	S	S	*	*			cis	-146.8	168.3	35.1	-92.1	-60.8	174.4	0	0	113
1465	P	27	Very low	26.1	Very low	82 Å²	82	139.7 Å²	139.7	53%	0.532	76%	0.759	S	S	.	*			trans	-88.7	143.6	-170.7	35	-35.4	0	0	0	115.6	Y1467	P1465-Y1467 HydrophobicContact CG-CD2 4.25Å; P1465-Y1467 HydrophobicContact CG-CE2 3.85Å; P1465-Y1467 PolarHBondContact O-N 2.92Å
1466	Q	23.5	Very low	25.9	Very low	175 Å²	175	140.4 Å²	140.4	82%	0.818	76%	0.758	S	S	*	*			trans	-35.9	119.4	146.3	-179.2	-175.9	17.1	0	0	113
1467	Y	27.6	Very low	25.8	Very low	215 Å²	215	145.5 Å²	145.5	84%	0.843	77%	0.766	S	S	*	*			trans	-116.5	98.9	168	-93.1	-77	0	0	0	110.9	P1465	P1465-Y1467 HydrophobicContact CG-CD2 4.25Å; P1465-Y1467 HydrophobicContact CG-CE2 3.85Å; P1465-Y1467 PolarHBondContact O-N 2.92Å
1468	P	25.3	Very low	25.6	Very low	86 Å²	86	143.5 Å²	143.5	56%	0.558	76%	0.755	S	S	*	*			trans	-97.1	164.5	171.9	38.2	-30.7	0	0	0	111.8
1469	L	24.7	Very low	25.4	Very low	140 Å²	140	139.6 Å²	139.6	73%	0.733	74%	0.744	S	S	*	*			trans	61.9	143.2	155.5	-104.9	69.1	0	0	0	120.7
1470	E	25.2	Very low	25.2	Very low	168 Å²	168	138.6 Å²	138.6	79%	0.785	73%	0.734	S	S	*	*			trans	18.9	119.8	130.1	-62.2	163.5	-161.2	0	0	118.7
1471	S	24.7	Very low	25.2	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	73%	0.734	S	S	*	*				-159.2	166.2	95.1	57.6	0	0	0	0	111.9
1472	E	26.1	Very low	25.3	Very low	183 Å²	183	146 Å²	146	86%	0.855	73%	0.734	S	S	*	*			trans	-74.1	-133.5	158.8	-58.3	176.2	109.9	0	0	109.2
1473	I	25.8	Very low	25.4	Very low	139 Å²	139	146.3 Å²	146.3	71%	0.713	73%	0.731	S	S	*	*			trans	67.6	78.3	174	-45.7	166	0	0	0	111.5
1474	S	23.3	Very low	25.4	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	73%	0.728	S	S	*	*				45.5	100.7	79.8	-169.6	0	0	0	0	114
1475	T	26.5	Very low	25.3	Very low	123 Å²	123	138 Å²	138	76%	0.755	71%	0.711	S	S	*	*			trans	-156.5	142.1	132.6	-0.6	0	0	0	0	112.7	W1477	T1475-W1477 PolarHBondContact O-N 3.43Å
1476	Q	24.9	Very low	25.3	Very low	153 Å²	153	140 Å²	140	72%	0.715	73%	0.726	S	S	*	*			trans	-68	120.9	173.1	-61.5	156.9	-0.1	0	0	109.6	I1478	Q1476-I1478 HydrophobicContact CB-CB 4.34Å; Q1476-I1478 HydrophobicContact CB-CD1 4.38Å; Q1476-I1478 HydrophobicContact CB-CG1 4.12Å; Q1476-I1478 PolarHBondContact O-N 3.02Å; Q1476-I1478 VanDerWaalsContact O-N 3.08Å; Q1476-I1478 VanDerWaalsContact OE1-CD1 3.3Å
1477	W	26.7	Very low	25.5	Very low	253 Å²	253	137.2 Å²	137.2	96%	0.958	71%	0.713	S	S	*	*			trans	-84.2	70.1	154.9	-79.3	77.2	0	0	0	109.2	T1475 T1479	T1475-W1477 PolarHBondContact O-N 3.43Å; W1477-T1479 PolarHBondContact O-N 3.34Å
1478	I	23.7	Very low	25.3	Very low	114 Å²	114	133.7 Å²	133.7	59%	0.585	70%	0.704	S	S	*	*			trans	-61	121	167.9	-104.2	176.6	0	0	0	107.7	Q1476	Q1476-I1478 HydrophobicContact CB-CB 4.34Å; Q1476-I1478 HydrophobicContact CB-CD1 4.38Å; Q1476-I1478 HydrophobicContact CB-CG1 4.12Å; Q1476-I1478 PolarHBondContact O-N 3.02Å; Q1476-I1478 VanDerWaalsContact O-N 3.08Å; Q1476-I1478 VanDerWaalsContact OE1-CD1 3.3Å
1479	T	24.8	Very low	25.4	Very low	106 Å²	106	135.2 Å²	135.2	65%	0.65	71%	0.708	S	S	*	*			trans	66.5	128.5	131.4	-50.8	0	0	0	0	115.9	W1477	W1477-T1479 PolarHBondContact O-N 3.34Å
1480	N	23.5	Very low	25.4	Very low	118 Å²	118	136 Å²	136	63%	0.631	71%	0.708	S	S	*	*				-175.6	171.6	55.5	-144.3	-15.5	0	0	0	112.1
1481	R	24.7	Very low	25.6	Very low	195 Å²	195	131 Å²	131	74%	0.736	68%	0.684	S	S	*	*			trans	49.4	114.3	152.6	-65.7	161.4	-166.9	-174.2	-0.1	118.9
1482	T	27.4	Very low	25.6	Very low	128 Å²	128	131.7 Å²	131.7	79%	0.785	69%	0.687	S	S	*	*				-152.1	117.3	89.8	29.5	0	0	0	0	106.9
1483	D	26.6	Very low	25.6	Very low	121 Å²	121	125.4 Å²	125.4	65%	0.647	66%	0.662	S	S	*	*				74.2	90.2	88.1	-65.8	-13.6	0	0	0	110.9
1484	T	24.8	Very low	25.6	Very low	120 Å²	120	125.9 Å²	125.9	74%	0.736	67%	0.665	S	S	*	*				82.2	111.1	93	56.1	0	0	0	0	115.4
1485	V	24.8	Very low	25.6	Very low	72 Å²	72	124 Å²	124	44%	0.436	65%	0.652	S	S	.	*			trans	56.6	88.2	141.9	-166.2	0	0	0	0	117.2	N197 T199	N197-V1485 WeakPolarHBondContact OD1-CG1 3.21Å; T199-V1485 HydrophobicContact CG2-CG2 3.66Å
1486	S	26.5	Very low	25.5	Very low	122 Å²	122	123.3 Å²	123.3	85%	0.853	64%	0.644	S	S	*	*			trans	-133.7	50.3	153.2	62.1	0	0	0	0	112.5	Q1488	S1486-Q1488 PolarHBondContact O-N 3Å
1487	H	27.4	Very low	25.4	Very low	117 Å²	117	122.6 Å²	122.6	54%	0.542	65%	0.645	S	S	.	*			trans	-64.4	107	152.5	-106.2	-58.9	0	0	0	108.4	N197	N197-H1487 HydrophobicContact CB-CB 4.16Å; N197-H1487 WeakPolarHBondContact ND2-CB 3.49Å
1488	Q	24.5	Very low	25.4	Very low	141 Å²	141	116.3 Å²	116.3	66%	0.659	63%	0.634	S	S	*	*			trans	-153.4	126.1	144.1	-143	170.6	1.8	0	0	111.8	S1486	S1486-Q1488 PolarHBondContact O-N 3Å
1489	N	25.7	Very low	25.5	Very low	119 Å²	119	118 Å²	118	64%	0.636	64%	0.643	S	S	*	*			trans	66.7	138.6	171.4	-56.8	-20.2	0	0	0	118
1490	Q	25.7	Very low	25.4	Very low	157 Å²	157	119.8 Å²	119.8	73%	0.734	65%	0.648	S	S	*	*			cis	-156.6	155.6	-34.6	-133.9	170.5	99.9	0	0	109.6
1491	Q	29.7	Very low	25.5	Very low	62 Å²	62	120 Å²	120	29%	0.29	65%	0.649	S	S	.	*			trans	-63.2	157.4	166.4	-128.1	176.6	-11.7	0	0	109.7	Q194 S1493	Q194-Q1491 VanDerWaalsContact N-OE1 3.1Å; Q1491-S1493 PolarHBondContact NE2-OG 3.49Å
1492	P	24.4	Very low	25.6	Very low	115 Å²	115	118.9 Å²	118.9	75%	0.747	65%	0.652	S	S	*	*				-137.2	141.6	84.3	36.7	-24.1	0	0	0	115.1
1493	S	27	Very low	25.4	Very low	50 Å²	50	118.4 Å²	118.4	35%	0.35	65%	0.654	S	S	.	*			trans	-91.5	119.7	160.6	45.1	0	0	0	0	109.3	Q1491	Q1491-S1493 PolarHBondContact NE2-OG 3.49Å
1494	I	25.3	Very low	25.3	Very low	149 Å²	149	118.8 Å²	118.8	76%	0.764	66%	0.661	S	S	*	*			trans	-143.7	107.8	164.9	-59.1	-178.4	0	0	0	104.3
1495	S	23	Very low	25.1	Very low	68 Å²	68	122.9 Å²	122.9	48%	0.476	66%	0.662	S	S	.	*			cis	102.9	113.7	32	77.1	0	0	0	0	112.9
1496	N	23.8	Very low	25.2	Very low	110 Å²	110	125.6 Å²	125.6	59%	0.588	68%	0.679	S	S	*	*			trans	68.9	121.2	143.7	-62.9	2.3	0	0	0	121.6
1497	N	23.8	Very low	25	Very low	137 Å²	137	127.7 Å²	127.7	73%	0.733	68%	0.679	S	S	*	*			trans	88.1	153.7	133.1	-63.4	-3.6	0	0	0	121.7
1498	T	26	Very low	25	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	69%	0.689	S	S	*	*			trans	79.6	75.9	157.6	11.8	0	0	0	0	118.7
1499	I	25	Very low	25	Very low	149 Å²	149	128.6 Å²	128.6	76%	0.764	70%	0.697	S	S	*	*				67.3	142.3	107.2	-69.6	168.9	0	0	0	119.9
1500	L	24.1	Very low	25	Very low	145 Å²	145	126.2 Å²	126.2	76%	0.759	70%	0.701	S	S	*	*			trans	86.8	133.8	159.8	-85	163.3	0	0	0	121.8
1501	N	26.1	Very low	25	Very low	121 Å²	121	127.7 Å²	127.7	65%	0.647	71%	0.708	S	S	*	*			trans	76.6	100.8	148.6	-68.8	-27.2	0	0	0	121.9
1502	Q	25.2	Very low	24.8	Very low	173 Å²	173	131.2 Å²	131.2	81%	0.808	73%	0.728	S	S	*	*				24.1	122.6	112.2	-55.6	-178.2	17.6	0	0	117.9
1503	S	23.8	Very low	24.8	Very low	118 Å²	118	128.9 Å²	128.9	83%	0.825	72%	0.715	S	S	*	*				-177.5	161.3	109.4	52.3	0	0	0	0	112.8
1504	V	23.7	Very low	24.9	Very low	129 Å²	129	130.8 Å²	130.8	78%	0.782	72%	0.718	S	S	*	*			trans	-92.5	112.5	172.6	179.1	0	0	0	0	110.1
1505	R	22.2	Very low	25	Very low	205 Å²	205	129.1 Å²	129.1	77%	0.774	71%	0.714	S	S	*	*			trans	-176.8	153.2	135	-112.8	160.2	-78.9	-142.1	-0.2	116.2
1506	T	25.7	Very low	25.2	Very low	129 Å²	129	132.2 Å²	132.2	79%	0.791	72%	0.724	S	S	*	*			trans	-40.8	139.4	154.4	-42	0	0	0	0	113.5
1507	I	23.3	Very low	25.6	Very low	166 Å²	166	134.9 Å²	134.9	85%	0.851	73%	0.733	S	S	*	*			trans	-155.2	144.2	147.7	-104.8	148.6	0	0	0	109.9
1508	Q	26.5	Very low	26	Very low	159 Å²	159	137 Å²	137	74%	0.743	74%	0.739	S	S	*	*			trans	-111.8	155.4	177.4	-175.5	-174.6	19	0	0	109
1509	S	25.3	Very low	26.3	Very low	118 Å²	118	136.3 Å²	136.3	83%	0.825	74%	0.736	S	S	*	*			trans	75.3	164.3	165.8	84.6	0	0	0	0	118.3
1510	G	25.7	Very low	26.4	Very low	70 Å²	70	135 Å²	135	72%	0.722	74%	0.735	S	S	*	*			trans	108.1	129.1	-177.6	0	0	0	0	0	112.3
1511	Q	26.4	Very low	26.8	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	73%	0.734	S	S	*	*			cis	-144.9	134.5	-0.7	-65.1	178.5	-10.3	0	0	110.9
1512	N	24	Very low	27.1	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	74%	0.738	S	S	*	*	S	Bend	trans	-149.9	61.9	145.2	-135.6	-18	0	0	0	111.8	P1540	N1512-P1540 WeakPolarHBondContact O-CB 3.47Å
1513	S	24.9	Very low	27.2	Very low	67 Å²	67	137.7 Å²	137.7	47%	0.469	74%	0.739	S	S	.	*			trans	79	147.7	139.4	-42.8	0	0	0	0	120.4	P1540	S1513-P1540 WeakPolarHBondContact O-CB 3.18Å
1514	H	28.2	Very low	27.3	Very low	89 Å²	89	137.1 Å²	137.1	41%	0.412	74%	0.735	S	S	.	*			trans	77	138.9	165	-51.7	-76	0	0	0	120	P1541 S1542	H1514-P1541 PolarHBondContact CD2-O 2.82Å; H1514-P1541 PolarHBondContact CE1-O 2.91Å; H1514-P1541 VanDerWaalsContact CG-O 3.31Å; H1514-P1541 PolarHBondContact NE2-O 2.9Å; H1514-P1541 VanDerWaalsContact NE2-O 3.13Å; H1514-S1542 PolarHBondContact CE1-O 3.22Å; H1514-S1542 PolarHBondContact NE2-O 3.02Å
1515	V	27.6	Very low	27.5	Very low	114 Å²	114	135.1 Å²	135.1	69%	0.691	73%	0.732	S	S	*	*			cis	-165.1	137.1	-26.7	100.6	0	0	0	0	112.9
1516	I	28.8	Very low	27.7	Very low	133 Å²	133	133.3 Å²	133.3	68%	0.682	74%	0.736	S	S	*	*			trans	78.2	138.1	148.4	-70.3	171.3	0	0	0	124.1
1517	Q	31.5	Very low	27.8	Very low	166 Å²	166	131.8 Å²	131.8	78%	0.776	73%	0.73	S	S	*	*			trans	71.3	99.5	156	-81.3	148.4	11.2	0	0	124.7
1518	Q	31.3	Very low	28	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	73%	0.729	S	S	*	*				41.1	159	100.5	-67.6	-177	-5.3	0	0	121.8
1519	P	33.5	Very low	28.1	Very low	107 Å²	107	126.4 Å²	126.4	70%	0.695	73%	0.732	S	S	*	*			cis	-136.2	160.8	-2.5	31.8	-9.9	0	0	0	118.6
1520	V	27.6	Very low	28.2	Very low	122 Å²	122	131.8 Å²	131.8	74%	0.739	74%	0.736	S	S	*	*			trans	35.7	128.8	134	-165.8	0	0	0	0	119.5
1521	T	32.4	Very low	28.1	Very low	120 Å²	120	133 Å²	133	74%	0.736	73%	0.733	S	S	*	*				-170.4	127.8	84.7	-55.1	0	0	0	0	116.2
1522	Q	31.2	Very low	28	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	73%	0.728	S	S	*	*			trans	23.8	137.5	152.2	-53.8	-171.7	19.8	0	0	126.4
1523	R	27.2	Very low	28	Very low	218 Å²	218	130.4 Å²	130.4	82%	0.823	73%	0.73	S	S	*	*			trans	74.4	102.6	133	-83.1	-177.3	174.3	-133.9	-2.4	122.5
1524	S	27.6	Very low	28.1	Very low	105 Å²	105	134 Å²	134	73%	0.734	75%	0.749	S	S	*	*				136.3	133	96.7	-80.6	0	0	0	0	118.1
1525	A	27.4	Very low	27.9	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	75%	0.753	S	S	*	*			trans	80.2	103.8	143.6	0	0	0	0	0	123.3
1526	I	26.8	Very low	27.9	Very low	168 Å²	168	137 Å²	137	86%	0.862	76%	0.759	S	S	*	*				85.6	126.6	124.8	-65.2	169	0	0	0	121.3
1527	S	26.3	Very low	28	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	76%	0.763	S	S	*	*			trans	81.5	115.7	156.2	-142.4	0	0	0	0	122.6
1528	T	27.5	Very low	27.8	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	76%	0.755	S	S	*	*			trans	37.7	118.1	141.3	57.7	0	0	0	0	121.3
1529	G	30.2	Very low	27.9	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	75%	0.754	S	S	*	*			trans	-158.1	156.9	163.5	0	0	0	0	0	111.2
1530	Y	25.7	Very low	28.3	Very low	231 Å²	231	131.1 Å²	131.1	91%	0.906	74%	0.739	S	S	*	*			trans	-99.3	161.8	-173.6	-91.3	-100.7	0	0	0	113.8
1531	S	23.5	Very low	28.7	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	73%	0.731	S	S	*	*			trans	81	133.8	148.4	-62.4	0	0	0	0	123.1
1532	N	25.2	Very low	28.7	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	73%	0.73	S	S	*	*			trans	65.7	107	136.5	-60.8	3.2	0	0	0	123.4
1533	T	23.8	Very low	28.7	Very low	125 Å²	125	132.3 Å²	132.3	77%	0.767	74%	0.737	S	S	*	*				16.1	135.2	125	53	0	0	0	0	121.9
1534	T	26.7	Very low	29	Very low	144 Å²	144	127.8 Å²	127.8	88%	0.883	74%	0.736	S	S	*	*				-171.8	174.3	115.5	-68.9	0	0	0	0	109.6
1535	A	25.1	Very low	29	Very low	60 Å²	60	129.7 Å²	129.7	50%	0.496	74%	0.738	S	S	.	*			trans	-129.2	-161.8	-160.4	0	0	0	0	0	116.7
1536	Y	26.5	Very low	29	Very low	206 Å²	206	132.5 Å²	132.5	81%	0.808	74%	0.74	S	S	*	*			trans	77.6	144.7	-177.9	-55.4	-85.9	0	0	0	115.5
1537	H	30.7	Very low	29.2	Very low	166 Å²	166	131.3 Å²	131.3	77%	0.769	74%	0.735	S	S	*	*			cis	-159.2	179.8	-4.2	-118.4	-39.2	0	0	0	108.5
1538	G	28.2	Very low	29.2	Very low	58 Å²	58	136.8 Å²	136.8	60%	0.598	74%	0.741	S	S	*	*			cis	164.4	129.9	-7.8	0	0	0	0	0	115.7
1539	H	32.5	Very low	29.2	Very low	178 Å²	178	137.7 Å²	137.7	82%	0.824	74%	0.74	S	S	*	*			trans	77.9	158.4	157.1	-68.4	-70.5	0	0	0	124.2
1540	P	43.1	Very low	29.1	Very low	61 Å²	61	138.9 Å²	138.9	40%	0.396	74%	0.736	S	S	.	*			trans	-129.3	-176.4	-153.3	46.4	-32.6	0	0	0	117.3	N1512 S1513	N1512-P1540 WeakPolarHBondContact O-CB 3.47Å; S1513-P1540 WeakPolarHBondContact O-CB 3.18Å
1541	P	35.2	Very low	29.2	Very low	85 Å²	85	132.7 Å²	132.7	55%	0.552	73%	0.733	S	S	*	*				-161.4	148.6	127.4	37	-16.5	0	0	0	121.4	H1514	H1514-P1541 PolarHBondContact CD2-O 2.82Å; H1514-P1541 PolarHBondContact CE1-O 2.91Å; H1514-P1541 VanDerWaalsContact CG-O 3.31Å; H1514-P1541 PolarHBondContact NE2-O 2.9Å; H1514-P1541 VanDerWaalsContact NE2-O 3.13Å
1542	S	31.9	Very low	30	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	72%	0.721	S	S	*	*			trans	100.5	147	143.4	79	0	0	0	0	124.5	H1514	H1514-S1542 PolarHBondContact CE1-O 3.22Å; H1514-S1542 PolarHBondContact NE2-O 3.02Å
1543	R	31.9	Very low	30.3	Very low	237 Å²	237	130.4 Å²	130.4	89%	0.894	72%	0.722	S	S	*	*			trans	-119.4	161.8	-177.2	-91.8	-174.5	173.1	-178.3	-1.3	112.5
1544	P	33.1	Very low	31	Very low	122 Å²	122	127.3 Å²	127.3	79%	0.792	70%	0.703	S	S	*	*				-139	-163.9	106.9	43.6	-31.9	0	0	0	111.3
1545	N	28.2	Very low	31.2	Very low	145 Å²	145	126.7 Å²	126.7	78%	0.775	70%	0.699	S	S	*	*			cis	-150.6	-169.9	-3.1	-156.1	3.2	0	0	0	111.1
1546	L	27.2	Very low	31.6	Very low	146 Å²	146	128.7 Å²	128.7	76%	0.764	71%	0.707	S	S	*	*			trans	-111.6	154.6	168.2	-74.3	70.4	0	0	0	112
1547	D	31.3	Very low	32	Very low	143 Å²	143	125.2 Å²	125.2	77%	0.765	71%	0.707	S	S	*	*				-175.8	-177.6	107.4	-129.9	-36.6	0	0	0	116
1548	R	25.4	Very low	32	Very low	212 Å²	212	125.4 Å²	125.4	80%	0.8	71%	0.708	S	S	*	*			trans	-81	155.6	-155.4	-76.9	154.7	177.3	-171.7	-1.8	123.1
1549	L	27.8	Very low	32	Very low	154 Å²	154	127 Å²	127	81%	0.806	71%	0.71	S	S	*	*			trans	82.4	129.1	134.3	-76.6	164.6	0	0	0	125.6
1550	S	27.5	Very low	32	Very low	102 Å²	102	126 Å²	126	71%	0.713	71%	0.71	S	S	*	*			trans	89.5	103.9	134.4	-63.7	0	0	0	0	126.9
1551	A	29.4	Very low	31.9	Very low	102 Å²	102	128.7 Å²	128.7	84%	0.843	73%	0.728	S	S	*	*				72.3	157.8	125.2	0	0	0	0	0	125.6
1552	P	39	Very low	31.7	Very low	65 Å²	65	132.8 Å²	132.8	42%	0.422	74%	0.741	S	S	.	*			trans	-138.5	172.8	-159.4	44.4	-26.5	0	0	0	120.5	V1595	P1552-V1595 HydrophobicContact CB-CG1 3.97Å
1553	T	33.1	Very low	31.7	Very low	125 Å²	125	132.7 Å²	132.7	77%	0.767	74%	0.737	S	S	*	*			trans	-166.8	159.8	160.6	14.6	0	0	0	0	116.1
1554	P	38.2	Very low	31.6	Very low	59 Å²	59	128.8 Å²	128.8	38%	0.383	73%	0.734	S	S	.	*			trans	-132.5	-165.1	-172.1	45.6	-32.5	0	0	0	120.1	P1596 S1597	P1554-P1596 HydrophobicContact CB-CB 4.46Å; P1554-P1596 HydrophobicContact CG-CB 4.32Å; P1554-S1597 WeakPolarHBondContact CG-O 3.43Å
1555	V	31.1	Very low	31.8	Very low	131 Å²	131	128 Å²	128	79%	0.794	73%	0.729	S	S	*	*			trans	92.4	146.6	154.7	154.8	0	0	0	0	119.5
1556	P	33.6	Very low	31.7	Very low	103 Å²	103	126.4 Å²	126.4	67%	0.669	73%	0.728	S	S	*	*			cis	-147.8	178.9	-31.4	45.1	-25.5	0	0	0	119.5
1557	V	33	Very low	31.9	Very low	132 Å²	132	126.5 Å²	126.5	80%	0.8	73%	0.728	S	S	*	*			trans	62.3	137.5	142.3	163.9	0	0	0	0	121.5
1558	Q	32.1	Very low	31.7	Very low	170 Å²	170	127 Å²	127	79%	0.794	73%	0.728	S	S	*	*				-177.2	156.7	64.3	-151.5	178.8	-20.9	0	0	117.7
1559	C	27.1	Very low	31.8	Very low	93 Å²	93	123.2 Å²	123.2	63%	0.628	72%	0.723	S	S	*	*			trans	73.5	105	146.2	-91.4	0	0	0	0	128.4
1560	N	32.1	Very low	31.7	Very low	157 Å²	157	121.8 Å²	121.8	84%	0.84	72%	0.716	S	S	*	*				80.2	153.4	116.1	-73.5	24.9	0	0	0	128.5
1561	P	41.3	Very low	31.7	Very low	117 Å²	117	124.2 Å²	124.2	76%	0.76	72%	0.716	S	S	*	*			trans	-133.7	-173.3	-165.2	45.2	-26.9	0	0	0	117.3
1562	M	31.2	Very low	31.5	Very low	170 Å²	170	124.7 Å²	124.7	84%	0.837	71%	0.709	S	S	*	*			trans	-163.5	136.9	162.4	-135.9	176.9	140.1	0	0	119.2
1563	T	32.1	Very low	30.9	Very low	102 Å²	102	127 Å²	127	63%	0.626	73%	0.726	S	S	*	*			trans	61.8	117.5	147.4	36.4	0	0	0	0	127.7
1564	D	29.3	Very low	30.7	Very low	155 Å²	155	128.2 Å²	128.2	83%	0.829	73%	0.727	S	S	*	*				80.1	146.5	123.7	-81	-17.5	0	0	0	128.2
1565	P	38.5	Very low	30.2	Very low	106 Å²	106	133 Å²	133	69%	0.688	74%	0.743	S	S	*	*			trans	-125.4	-163.4	-177.7	46.7	-31.9	0	0	0	116
1566	S	26.4	Very low	30	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	75%	0.748	S	S	*	*			trans	92.8	156.3	179.5	-40.7	0	0	0	0	114.2
1567	I	30.6	Very low	29.7	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	75%	0.748	S	S	*	*			cis	-148.5	147.7	16.4	-20.9	173	0	0	0	112.2
1568	M	26.1	Very low	29.5	Very low	155 Å²	155	134 Å²	134	76%	0.764	75%	0.748	S	S	*	*			trans	63.2	146.1	142.4	-94	162.8	61.3	0	0	125.6
1569	L	29	Very low	29.4	Very low	132 Å²	132	134 Å²	134	69%	0.691	75%	0.753	S	S	*	*			trans	80	118.1	149.6	-74.2	164.1	0	0	0	121.6
1570	D	25.9	Very low	29.3	Very low	123 Å²	123	134.6 Å²	134.6	66%	0.658	75%	0.754	S	S	*	*				45.7	145.8	121.1	-73.1	28.9	0	0	0	121.8
1571	Q	25.9	Very low	29	Very low	153 Å²	153	134 Å²	134	72%	0.715	75%	0.751	S	S	*	*			cis	-155.8	142.9	18.7	-135.5	155.7	56.5	0	0	113.6
1572	T	26.7	Very low	28.3	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.693	75%	0.746	S	S	*	*			trans	32.2	136.1	146.1	57	0	0	0	0	124
1573	S	25.2	Very low	28.1	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	74%	0.737	S	S	*	*			trans	73.5	155	150.4	-131.6	0	0	0	0	116.3
1574	I	29.7	Very low	27.9	Very low	150 Å²	150	130 Å²	130	77%	0.769	73%	0.732	S	S	*	*			cis	-133.4	157.5	18	-61.4	167	0	0	0	111.2
1575	H	27.5	Very low	27.9	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.736	73%	0.733	S	S	*	*			trans	-24.7	146.6	166.9	-90	-121.9	0	0	0	117.9
1576	N	27.3	Very low	27.4	Very low	166 Å²	166	129.6 Å²	129.6	89%	0.888	73%	0.733	S	S	*	*			trans	-152	141.7	133.9	-108.1	-52.8	0	0	0	113
1577	S	26.9	Very low	27.6	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	74%	0.735	S	S	*	*			trans	-83.3	164	174.3	-62.4	0	0	0	0	111.1
1578	P	28.2	Very low	27.6	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	73%	0.733	S	S	*	*			trans	-81.2	141.4	-159.4	31.5	-35.7	0	0	0	114
1579	L	29.7	Very low	27.7	Very low	171 Å²	171	134.2 Å²	134.2	90%	0.895	74%	0.738	S	S	*	*			trans	-157.9	161.8	148.8	-112.3	170.7	0	0	0	111.7
1580	T	25.3	Very low	27.9	Very low	105 Å²	105	132.9 Å²	132.9	64%	0.644	74%	0.737	S	S	*	*			trans	-88.8	163.7	-166.6	51.4	0	0	0	0	115.1
1581	N	26.7	Very low	27.9	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	75%	0.747	S	S	*	*			trans	99.1	149.8	154.5	-61	-39.1	0	0	0	118.8
1582	V	26.5	Very low	28	Very low	107 Å²	107	132.6 Å²	132.6	65%	0.648	74%	0.741	S	S	*	*			cis	-172.2	153.1	-30.6	79.7	0	0	0	0	109.6
1583	L	27	Very low	27.9	Very low	124 Å²	124	135.2 Å²	135.2	65%	0.649	75%	0.746	S	S	*	*			trans	65.5	158.3	166.2	-94.9	67.9	0	0	0	117.3
1584	S	28	Very low	27.8	Very low	74 Å²	74	137.9 Å²	137.9	52%	0.517	74%	0.743	S	S	.	*			cis	-165.8	161.4	-20.8	-134.6	0	0	0	0	115.4
1585	H	29.4	Very low	27.7	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.856	73%	0.728	S	S	*	*			trans	61.3	129.8	145.6	-58.2	-39.8	0	0	0	124.6
1586	G	27.9	Very low	28.1	Very low	68 Å²	68	130.4 Å²	130.4	70%	0.701	72%	0.717	S	S	*	*			trans	171.2	99.2	152.6	0	0	0	0	0	109.3
1587	Q	29.2	Very low	28.3	Very low	171 Å²	171	125.9 Å²	125.9	80%	0.799	70%	0.699	S	S	*	*				55.2	128.7	93	-70.8	-145.7	22.2	0	0	113.7
1588	Q	31.2	Very low	28.6	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.724	70%	0.698	S	S	*	*			cis	-147	140	24.9	-104.6	144.5	33.8	0	0	110.5
1589	Q	28.4	Very low	28.6	Very low	183 Å²	183	123.8 Å²	123.8	86%	0.855	70%	0.697	S	S	*	*				80.1	156.1	91.1	-89.9	-150.7	-19.3	0	0	116.7
1590	P	32.6	Very low	28.4	Very low	105 Å²	105	127 Å²	127	68%	0.682	70%	0.697	S	S	*	*			trans	-134.7	-147.5	-134.2	45.3	-26.8	0	0	0	114.9
1591	Q	27.3	Very low	28.6	Very low	183 Å²	183	128.9 Å²	128.9	86%	0.855	70%	0.702	S	S	*	*			trans	102.1	148.7	171.7	-62.3	-177.3	-20.2	0	0	116.1
1592	S	26.4	Very low	28.5	Very low	86 Å²	86	129.1 Å²	129.1	60%	0.601	70%	0.698	S	S	*	*			cis	-175.6	135.7	-28.4	54.4	0	0	0	0	112.4
1593	Q	25.1	Very low	28.5	Very low	168 Å²	168	130.5 Å²	130.5	79%	0.785	70%	0.702	S	S	*	*			trans	59.1	163.1	143.1	-62.5	-177.6	-17.4	0	0	119.4
1594	F	23.6	Very low	28.4	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	70%	0.701	S	S	*	*			cis	-158.7	135.1	-14.8	-125.8	-145.2	0	0	0	109.9
1595	V	27.2	Very low	28.4	Very low	74 Å²	74	133.2 Å²	133.2	45%	0.448	72%	0.715	S	S	.	*				92.1	149.1	108.9	153.1	0	0	0	0	119	P1552	P1552-V1595 HydrophobicContact CB-CG1 3.97Å
1596	P	36.8	Very low	28.6	Very low	77 Å²	77	129 Å²	129	50%	0.5	70%	0.704	S	S	.	*			trans	-130.1	-178	-158.9	42.9	-24.8	0	0	0	118.2	P1554	P1554-P1596 HydrophobicContact CB-CB 4.46Å; P1554-P1596 HydrophobicContact CG-CB 4.32Å
1597	S	30.8	Very low	28.5	Very low	72 Å²	72	130.4 Å²	130.4	50%	0.503	70%	0.702	S	S	.	*			trans	-170.5	151.3	157.8	-77.3	0	0	0	0	107.2	P1554	P1554-S1597 WeakPolarHBondContact CG-O 3.43Å
1598	G	32.5	Very low	28.3	Very low	65 Å²	65	129.3 Å²	129.3	67%	0.67	70%	0.702	S	S	*	*			cis	109	140.2	31.8	0	0	0	0	0	108.9
1599	S	29.1	Very low	28	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	70%	0.7	S	S	*	*			cis	-166.3	165.5	5.6	-42.2	0	0	0	0	111.1
1600	R	25.6	Very low	27.8	Very low	238 Å²	238	123.3 Å²	123.3	90%	0.898	69%	0.692	S	S	*	*			trans	67.4	164.8	166.4	-65.2	-175.1	170.8	-172.3	-2.3	115.1
1601	I	29.6	Very low	27.4	Very low	146 Å²	146	124.4 Å²	124.4	75%	0.749	69%	0.692	S	S	*	*			cis	-134.7	165.8	28.5	-76.2	174.8	0	0	0	113.4
1602	Q	24.5	Very low	27.1	Very low	149 Å²	149	120.2 Å²	120.2	70%	0.696	68%	0.684	S	S	*	*			trans	-58.7	153.9	177.5	-48.8	130.4	-78	0	0	115
1603	N	27.2	Very low	27	Very low	136 Å²	136	125.9 Å²	125.9	73%	0.727	69%	0.693	S	S	*	*				162.2	105.1	118.7	-86.1	-10.3	0	0	0	110.6
1604	T	24.5	Very low	26.9	Very low	101 Å²	101	125.5 Å²	125.5	62%	0.62	69%	0.691	S	S	*	*				83.5	110.3	74.5	58.3	0	0	0	0	115.7
1605	L	27.6	Very low	26.8	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	69%	0.692	S	S	*	*			trans	69.7	166.9	138.5	-83.4	92.2	0	0	0	118.1
1606	P	33.4	Very low	26.6	Very low	97 Å²	97	130.4 Å²	130.4	63%	0.63	71%	0.707	S	S	*	*			cis	-149.8	-177.2	-46	43.6	-27.1	0	0	0	116
1607	S	25.4	Very low	26.1	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	72%	0.721	S	S	*	*			trans	71.9	158.3	137.2	-70.1	0	0	0	0	122
1608	N	25	Very low	26.1	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	73%	0.731	S	S	*	*			trans	74.8	143	157.4	-62	-19.6	0	0	0	116.5
1609	S	24.9	Very low	25.7	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	73%	0.733	S	S	*	*			cis	-160.6	143.4	-4.9	36.7	0	0	0	0	113.5
1610	V	24.4	Very low	25.5	Very low	116 Å²	116	141.2 Å²	141.2	70%	0.703	73%	0.734	S	S	*	*				33.1	142.6	121.6	-159.7	0	0	0	0	119.5
1611	N	24.3	Very low	25.4	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	73%	0.73	S	S	*	*			trans	92.1	131.6	175.1	-58.2	-62.2	0	0	0	113.2
1612	S	22	Very low	25.2	Very low	96 Å²	96	136 Å²	136	67%	0.671	74%	0.735	S	S	*	*			cis	76.7	144.1	43.1	-56	0	0	0	0	112.9
1613	Y	22.8	Very low	25.4	Very low	205 Å²	205	132.3 Å²	132.3	80%	0.804	74%	0.737	S	S	*	*			trans	74.2	125.7	-169	-53.8	-83.2	0	0	0	114.1
1614	H	23	Very low	25.3	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.736	75%	0.745	S	S	*	*				77.1	132.2	57.7	-124.6	-29.6	0	0	0	113
1615	R	22.8	Very low	25.7	Very low	205 Å²	205	136.9 Å²	136.9	77%	0.774	75%	0.751	S	S	*	*			trans	77.7	115	166.9	-60.5	-177.3	-178.7	-151.7	-0.4	114
1616	N	23.4	Very low	25.6	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	75%	0.753	S	S	*	*				87.3	167.3	68.6	-67.9	5.1	0	0	0	111.3
1617	I	24.7	Very low	25.4	Very low	154 Å²	154	138.7 Å²	138.7	79%	0.79	76%	0.756	S	S	*	*			trans	83	85.6	170.5	-48.5	168.7	0	0	0	111.8
1618	V	30.9	Very low	25.4	Very low	116 Å²	116	141.6 Å²	141.6	70%	0.703	76%	0.759	S	S	*	*				76.1	117.2	63.8	175.7	0	0	0	0	113.5
1619	P	25.5	Very low	25.5	Very low	112 Å²	112	140.4 Å²	140.4	73%	0.727	76%	0.762	S	S	*	*	S	Bend	trans	-88.7	113.8	143.8	32.6	-26.5	0	0	0	110.8
1620	Q	24.5	Very low	25.4	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	76%	0.761	S	S	*	*			trans	50.5	114.7	131.5	-60.9	167	11.4	0	0	119
1621	N	22.9	Very low	25.5	Very low	151 Å²	151	144.6 Å²	144.6	81%	0.807	77%	0.766	S	S	*	*				82.5	147.1	70.4	-98.7	-13	0	0	0	115.3
1622	S	25.4	Very low	25.6	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	76%	0.763	S	S	*	*			trans	78.1	119.8	171.2	-42.6	0	0	0	0	115.3
1623	G	28.2	Very low	25.7	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	77%	0.766	S	S	*	*			trans	-170.4	-29	-178.9	0	0	0	0	0	118.2
1624	Y	25.9	Very low	25.8	Very low	225 Å²	225	144.9 Å²	144.9	88%	0.882	76%	0.756	S	S	*	*			trans	64.6	163.7	174.1	-85.6	-97.3	0	0	0	118.5
1625	S	32.3	Very low	25.9	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	75%	0.754	S	S	*	*			trans	64.1	117.8	-178.9	-3.9	0	0	0	0	114.4
1626	Q	25.8	Very low	26	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	75%	0.752	S	S	*	*			cis	56.6	144.5	38	-63.7	-161.9	2.7	0	0	115.7
1627	P	28.6	Very low	26.2	Very low	107 Å²	107	144.6 Å²	144.6	70%	0.695	75%	0.754	S	S	*	*			cis	-122.2	160.8	-1.9	39.4	-25.9	0	0	0	115.8
1628	Q	25.3	Very low	26.3	Very low	158 Å²	158	140.8 Å²	140.8	74%	0.738	75%	0.745	S	S	*	*			trans	-6.1	126.7	150.5	-60.3	157.6	-21.4	0	0	118	F1630	Q1628-F1630 HydrophobicContact CB-CD2 4.26Å; Q1628-F1630 HydrophobicContact CG-CD2 4.42Å
1629	S	27.5	Very low	26.2	Very low	123 Å²	123	140.5 Å²	140.5	86%	0.86	74%	0.744	S	S	*	*			trans	-99	97.6	135.8	49.4	0	0	0	0	108.8	N1631	S1629-N1631 PolarHBondContact O-N 3.38Å
1630	F	23.2	Very low	26.4	Very low	146 Å²	146	143.4 Å²	143.4	64%	0.64	75%	0.748	S	S	*	*			trans	-57.8	123.7	151.7	-93.6	-110.2	0	0	0	106.8	Q1628	Q1628-F1630 HydrophobicContact CB-CD2 4.26Å; Q1628-F1630 HydrophobicContact CG-CD2 4.42Å
1631	N	27.6	Very low	26.5	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	74%	0.741	S	S	*	*				-159.7	138.8	101.8	-99.3	-33.3	0	0	0	113.2	S1629	S1629-N1631 PolarHBondContact O-N 3.38Å
1632	Q	25.7	Very low	26.7	Very low	132 Å²	132	140.3 Å²	140.3	62%	0.617	74%	0.739	S	S	*	*			trans	-74.5	178.8	157.6	-58	172.1	-12.7	0	0	108.8
1633	R	23.5	Very low	26.7	Very low	193 Å²	193	139 Å²	139	73%	0.728	73%	0.726	S	S	*	*			trans	81.5	142.5	140.8	-90.9	-179.6	166.4	107.2	-6.8	119.4
1634	D	25.1	Very low	26.6	Very low	109 Å²	109	143.2 Å²	143.2	58%	0.583	73%	0.726	S	S	*	*			trans	71	110.8	142.4	-54.6	-11.3	0	0	0	119.7
1635	H	26	Very low	26.7	Very low	152 Å²	152	139.2 Å²	139.2	70%	0.704	72%	0.719	S	S	*	*				45.7	133.3	126.5	-43.7	-58.1	0	0	0	118.6
1636	Y	24.7	Very low	26.3	Very low	188 Å²	188	139 Å²	139	74%	0.737	72%	0.717	S	S	*	*				-165.4	135.6	65.7	-112.3	-103.4	0	0	0	111
1637	M	27	Very low	26.7	Very low	162 Å²	162	136.2 Å²	136.2	80%	0.798	72%	0.715	S	S	*	*			trans	60.4	163.1	147.1	-62.1	-60	179.1	0	0	118.1
1638	A	27.6	Very low	26.5	Very low	74 Å²	74	135.1 Å²	135.1	61%	0.612	72%	0.724	S	S	*	*			cis	-175.1	162.8	-23.1	0	0	0	0	0	105.5
1639	T	28.4	Very low	26.6	Very low	109 Å²	109	131.5 Å²	131.5	67%	0.669	73%	0.729	S	S	*	*			cis	-159.5	143.1	5.3	-8.3	0	0	0	0	107.6
1640	Q	28.4	Very low	26.4	Very low	174 Å²	174	133 Å²	133	81%	0.813	73%	0.727	S	S	*	*			trans	56.7	156.6	139	-75.9	165	12.8	0	0	119.2
1641	S	27.6	Very low	26.6	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	73%	0.734	S	S	*	*			cis	-178.9	159.5	-4.8	47.3	0	0	0	0	106.8
1642	Q	26.6	Very low	26.5	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.762	73%	0.732	S	S	*	*			cis	-167.2	145	-6.8	-117.9	175.7	-11.8	0	0	109
1643	T	26.3	Very low	26.5	Very low	97 Å²	97	127.1 Å²	127.1	60%	0.595	74%	0.742	S	S	*	*				32.4	150.8	129.1	65.2	0	0	0	0	121.7
1644	H	26	Very low	26.6	Very low	159 Å²	159	120.8 Å²	120.8	74%	0.736	74%	0.736	S	S	*	*			cis	-174.6	169.6	1.4	-113.6	-32.2	0	0	0	111.8
1645	L	27.4	Very low	26.6	Very low	141 Å²	141	125.9 Å²	125.9	74%	0.738	75%	0.749	S	S	*	*			trans	60.6	113.9	145.1	-66.3	162.2	0	0	0	121.5
1646	S	25.1	Very low	26.7	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	75%	0.75	S	S	*	*				32.9	157.8	101.6	-53.5	0	0	0	0	121.7
1647	P	32.4	Very low	26.6	Very low	125 Å²	125	120.5 Å²	120.5	81%	0.812	75%	0.749	S	S	*	*			cis	-143.9	169.9	-29.2	38.7	-21.1	0	0	0	115.9
1648	G	26.1	Very low	26.7	Very low	84 Å²	84	122.5 Å²	122.5	87%	0.866	75%	0.75	S	S	*	*			trans	80.8	177.1	154.3	0	0	0	0	0	116.8
1649	G	25.6	Very low	26.6	Very low	82 Å²	82	125.7 Å²	125.7	85%	0.845	75%	0.752	S	S	*	*			trans	120.4	81.6	176.6	0	0	0	0	0	115.2
1650	N	24.3	Very low	26.5	Very low	153 Å²	153	124.6 Å²	124.6	82%	0.818	75%	0.748	S	S	*	*			trans	-54.1	174.9	164.6	-175.4	21.5	0	0	0	113.9
1651	I	26.4	Very low	26.4	Very low	154 Å²	154	124.9 Å²	124.9	79%	0.79	74%	0.742	S	S	*	*			trans	95.7	133.4	162.4	-52.7	156.8	0	0	0	117.1
1652	G	26.3	Very low	26.4	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	74%	0.742	S	S	*	*			trans	103.6	95.5	137.3	0	0	0	0	0	116.9
1653	G	25.3	Very low	26.4	Very low	80 Å²	80	124.7 Å²	124.7	83%	0.825	74%	0.739	S	S	*	*			trans	-115.2	-168.5	170.4	0	0	0	0	0	113.4
1654	G	25.2	Very low	26.3	Very low	59 Å²	59	128.4 Å²	128.4	61%	0.608	75%	0.752	S	S	*	*			trans	125.5	153.5	163	0	0	0	0	0	115.2
1655	Y	26.8	Very low	26.3	Very low	217 Å²	217	125.4 Å²	125.4	85%	0.851	76%	0.755	S	S	*	*			trans	71.6	139.1	162.3	-40.9	-71.8	0	0	0	116.4
1656	T	27.3	Very low	26.3	Very low	119 Å²	119	122.5 Å²	122.5	73%	0.73	75%	0.751	S	S	*	*			cis	-157.8	143.2	-7.3	4.3	0	0	0	0	113.3
1657	C	23.4	Very low	26.3	Very low	107 Å²	107	123 Å²	123	72%	0.723	75%	0.746	S	S	*	*			trans	6.7	135.7	143.2	-48.1	0	0	0	0	121.6
1658	Y	28.4	Very low	26	Very low	205 Å²	205	122 Å²	122	80%	0.804	73%	0.734	S	S	*	*				-163	116.7	117.2	-100.5	-80	0	0	0	107.8
1659	Q	25.1	Very low	26.1	Very low	141 Å²	141	124.7 Å²	124.7	66%	0.659	73%	0.727	S	S	*	*				58.4	144.3	105.5	-65	-161.6	33.1	0	0	115.5
1660	S	26.2	Very low	26.3	Very low	85 Å²	85	126.4 Å²	126.4	59%	0.594	72%	0.723	S	S	*	*			cis	-178.5	158	12.8	141.3	0	0	0	0	107.7
1661	R	26.7	Very low	26.4	Very low	180 Å²	180	125.7 Å²	125.7	68%	0.679	72%	0.719	S	S	*	*			cis	-166.5	177.2	-5.1	-93.9	166.6	-174.6	93.6	-3.3	104.3
1662	N	28.6	Very low	26.8	Very low	121 Å²	121	123 Å²	123	65%	0.647	71%	0.711	S	S	*	*			cis	-152.4	144.3	2.4	-122.4	13.5	0	0	0	105.7
1663	N	25.9	Very low	27	Very low	131 Å²	131	124.4 Å²	124.4	70%	0.701	71%	0.709	S	S	*	*				55.1	103.4	81.2	-69.7	-23.5	0	0	0	118.1
1664	M	25	Very low	27.1	Very low	175 Å²	175	124 Å²	124	86%	0.862	71%	0.705	S	S	*	*				174.1	130	113.3	-88.2	176.3	-66.1	0	0	108
1665	A	25.9	Very low	27.3	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	71%	0.714	S	S	*	*			cis	74.7	140.9	43	0	0	0	0	0	113.8
1666	A	25.9	Very low	27.2	Very low	80 Å²	80	130.2 Å²	130.2	66%	0.661	72%	0.715	S	S	*	*			cis	-169.9	170.3	-19.5	0	0	0	0	0	110.2
1667	N	25.9	Very low	27.2	Very low	113 Å²	113	133.7 Å²	133.7	60%	0.604	72%	0.721	S	S	*	*			trans	64.9	124.3	158.4	-56.3	-28.2	0	0	0	120.6
1668	N	26.2	Very low	27.3	Very low	104 Å²	104	134.7 Å²	134.7	56%	0.556	72%	0.723	S	S	*	*				-171.7	113.1	105	-91	-30.4	0	0	0	115.8	P1081	P1081-N1668 VanDerWaalsContact CB-OD1 3.25Å; P1081-N1668 WeakPolarHBondContact CB-OD1 3.24Å
1669	I	28.6	Very low	27.4	Very low	140 Å²	140	130.9 Å²	130.9	72%	0.718	72%	0.724	S	S	*	*			trans	-33	145.1	144.2	-71.6	160.2	0	0	0	112.1	N1671	I1669-N1671 HydrophobicContact CG2-CB 4.14Å
1670	P	29.4	Very low	27.4	Very low	117 Å²	117	127.6 Å²	127.6	76%	0.76	73%	0.728	S	S	*	*			cis	-130.5	163.7	49.9	18.5	7.6	0	0	0	116.4
1671	N	26.6	Very low	27.9	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	74%	0.738	S	S	*	*			cis	83.2	144.8	30.8	-158.7	63.7	0	0	0	113	I1669	I1669-N1671 HydrophobicContact CG2-CB 4.14Å
1672	P	34.7	Very low	28.1	Very low	97 Å²	97	126.8 Å²	126.8	63%	0.63	74%	0.744	S	S	*	*			cis	-140.7	-147.7	-48.6	43.9	-26.9	0	0	0	113.1
1673	S	30.2	Very low	27.9	Very low	105 Å²	105	128 Å²	128	73%	0.734	75%	0.75	S	S	*	*			trans	80.9	140.3	168.3	80.3	0	0	0	0	116.5
1674	G	26.6	Very low	27.9	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	76%	0.758	S	S	*	*			cis	88.9	79.8	-16	0	0	0	0	0	116.8
1675	H	29.6	Very low	28	Very low	175 Å²	175	123.7 Å²	123.7	81%	0.81	75%	0.753	S	S	*	*			trans	-147.4	105.4	158.7	-105.6	-73.4	0	0	0	113.8
1676	R	25.3	Very low	28	Very low	232 Å²	232	125.5 Å²	125.5	88%	0.875	75%	0.754	S	S	*	*			trans	-34.6	129.5	155.4	168.6	-151.6	-114	-161.5	-1.3	114
1677	F	26.7	Very low	28.1	Very low	193 Å²	193	128.4 Å²	128.4	85%	0.846	76%	0.758	S	S	*	*			trans	-156.2	151.4	146.5	-98.3	-64.7	0	0	0	114.4
1678	V	26	Very low	28.1	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	76%	0.763	S	S	*	*			trans	-158.3	153.3	-175.1	172	0	0	0	0	105.3
1679	P	30.4	Very low	28	Very low	125 Å²	125	132.5 Å²	132.5	81%	0.812	77%	0.772	S	S	*	*			cis	-123.8	-170.9	-18.7	39	-22.8	0	0	0	113.4
1680	G	25.1	Very low	28	Very low	72 Å²	72	129.6 Å²	129.6	74%	0.742	76%	0.764	S	S	*	*			trans	117.4	134.9	143.5	0	0	0	0	0	119.4
1681	P	36.4	Very low	28	Very low	126 Å²	126	129.7 Å²	129.7	82%	0.818	76%	0.758	S	S	*	*			trans	-92.1	161.9	168.6	40.1	-36.1	0	0	0	111.7
1682	P	29.9	Very low	28.2	Very low	122 Å²	122	130 Å²	130	79%	0.792	76%	0.755	S	S	*	*				-158.5	175.8	74.9	43.9	-22.7	0	0	0	119.2
1683	N	25.4	Very low	28	Very low	147 Å²	147	133.5 Å²	133.5	79%	0.786	76%	0.763	S	S	*	*			trans	18.7	136.3	149.1	-85.1	-15.4	0	0	0	124.9
1684	V	26.4	Very low	28	Very low	142 Å²	142	132.2 Å²	132.2	86%	0.861	75%	0.754	S	S	*	*			trans	66.6	129.7	133.6	178.7	0	0	0	0	120.4
1685	G	27	Very low	28.2	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	76%	0.755	S	S	*	*			trans	170.9	122.5	159.7	0	0	0	0	0	115.3
1686	T	25.1	Very low	28.2	Very low	135 Å²	135	134.8 Å²	134.8	83%	0.828	75%	0.75	S	S	*	*			trans	-114.4	136.1	-178.5	51	0	0	0	0	113.6
1687	L	28.2	Very low	28.4	Very low	141 Å²	141	129.6 Å²	129.6	74%	0.738	74%	0.744	S	S	*	*			trans	-147.4	109.9	159.1	-66.2	175.1	0	0	0	107.2
1688	Q	26.4	Very low	28.5	Very low	154 Å²	154	128.1 Å²	128.1	72%	0.72	74%	0.737	S	S	*	*				68	117.3	60.9	-170.1	-176.7	-5.5	0	0	113.8
1689	M	24.3	Very low	28.8	Very low	149 Å²	149	128.1 Å²	128.1	73%	0.734	73%	0.728	S	S	*	*			trans	169.7	69.3	137.7	-92.2	-75.3	-80.4	0	0	114.1	Q1424	Q1424-M1689 PolarHBondContact NE2-O 2.92Å
1690	S	28.5	Very low	28.8	Very low	79 Å²	79	128.6 Å²	128.6	55%	0.552	72%	0.72	S	S	*	*			trans	-163.1	176.5	131.6	89.7	0	0	0	0	111.8	Q1424	Q1424-S1690 WeakPolarHBondContact CG-OG 3.25Å; Q1424-S1690 PolarHBondContact OE1-OG 3.34Å
1691	N	29.9	Very low	29.1	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	72%	0.716	S	S	*	*				-158.1	128.8	-81.9	-155.2	1.9	0	0	0	107.9
1692	Q	30.4	Very low	28.6	Very low	146 Å²	146	130.6 Å²	130.6	68%	0.682	71%	0.705	S	S	*	*			trans	64.7	153.6	171.4	-56.3	161.2	48.2	0	0	115.2
1693	Q	30.9	Very low	28.7	Very low	169 Å²	169	128.1 Å²	128.1	79%	0.79	69%	0.689	S	S	*	*			cis	-161.7	155.4	-20.8	-109.8	165.6	-1	0	0	104.9
1694	S	29.9	Very low	28.8	Very low	79 Å²	79	124 Å²	124	55%	0.552	67%	0.669	S	S	*	*			cis	-168.2	172.8	10.2	48	0	0	0	0	110.4
1695	H	31.4	Very low	28.8	Very low	163 Å²	163	123.6 Å²	123.6	76%	0.755	66%	0.661	S	S	*	*			trans	71.2	138.3	154.3	-60.2	-40.6	0	0	0	118.7
1696	I	28.6	Very low	28.7	Very low	136 Å²	136	123.9 Å²	123.9	70%	0.697	65%	0.652	S	S	*	*			cis	-160.2	150.5	-5	-129.9	164.6	0	0	0	112.2
1697	V	29.1	Very low	28.8	Very low	123 Å²	123	126.6 Å²	126.6	75%	0.745	66%	0.655	S	S	*	*			trans	62	128.5	158	163.8	0	0	0	0	117.4
1698	K	29.4	Very low	28.7	Very low	162 Å²	162	122.7 Å²	122.7	70%	0.704	65%	0.649	S	S	*	*			cis	-158.7	173.3	8.4	-118.5	169.6	168.6	-149.2	0	106.2
1699	H	32.5	Very low	28.7	Very low	127 Å²	127	124.1 Å²	124.1	59%	0.588	66%	0.656	S	S	*	*			cis	-138	153.4	-4.7	-99	-69.6	0	0	0	104.9
1700	Q	30.4	Very low	28.8	Very low	135 Å²	135	122.5 Å²	122.5	63%	0.631	65%	0.65	S	S	*	*				70.1	126.8	55.4	-61.7	-172.8	-28.1	0	0	114.7
1701	H	30.6	Very low	28.7	Very low	146 Å²	146	124.9 Å²	124.9	68%	0.676	66%	0.656	S	S	*	*			cis	-157.9	141.7	-3.4	-91.9	-52.4	0	0	0	108.1
1702	T	26.8	Very low	28.6	Very low	95 Å²	95	125.4 Å²	125.4	58%	0.583	66%	0.658	S	S	*	*				59.4	165.7	66.8	59.6	0	0	0	0	115.4
1703	P	31.9	Very low	28.4	Very low	70 Å²	70	124 Å²	124	46%	0.455	66%	0.655	S	S	.	*			cis	-125.8	-140.8	10.9	44.8	-32	0	0	0	119.4	L1016 N1017	L1016-P1703 CarbonylContact C-O 3.28Å; L1016-P1703 VanDerWaalsContact C-O 3.28Å; L1016-P1703 WeakPolarHBondContact CA-O 3.39Å; L1016-P1703 WeakPolarHBondContact CB-O 3.38Å; L1016-P1703 HydrophobicContact CD2-CB 4.36Å; L1016-P1703 HydrophobicContact CD2-CG 3.65Å; L1016-P1703 WeakPolarHBondContact CD2-O 3.46Å; L1016-P1703 WeakPolarHBondContact CG-O 3.49Å; N1017-P1703 PolarHBondContact N-O 3.39Å; N1017-P1703 WeakPolarHBondContact ND2-CA 3.44Å; N1017-P1703 VanDerWaalsContact OD1-C 3.25Å; N1017-P1703 WeakPolarHBondContact OD1-CA 3.33Å; N1017-P1703 PolarHBondContact OD1-O 3.19Å
1704	V	26.4	Very low	28.2	Very low	61 Å²	61	123.4 Å²	123.4	37%	0.37	65%	0.646	S	S	.	*	B	Isolated β-bridge	trans	-104.3	151.7	-160.3	-157.4	0	0	0	0	119.1	L1016 N1017	L1016-V1704 VanDerWaalsContact CB-CA 3.44Å; L1016-V1704 WeakPolarHBondContact CD1-O 3.2Å; L1016-V1704 VanDerWaalsContact CD2-N 3.26Å; L1016-V1704 VanDerWaalsContact CD2-O 3.26Å; L1016-V1704 WeakPolarHBondContact CD2-O 3.48Å; L1016-V1704 VanDerWaalsContact CG-C 3.42Å; L1016-V1704 WeakPolarHBondContact CG-O 3.07Å; N1017-V1704 HydrophobicContact CB-CB 4.06Å; N1017-V1704 HydrophobicContact CB-CG1 4.22Å; N1017-V1704 HydrophobicContact CB-CG2 3.84Å; N1017-V1704 WeakPolarHBondContact ND2-CG2 3.39Å
1705	L	26.7	Very low	28	Very low	132 Å²	132	125.6 Å²	125.6	69%	0.691	65%	0.647	S	S	*	*			trans	128.3	155.2	155.3	-68.9	167.2	0	0	0	117.9	L1016	L1016-L1705 HydrophobicContact CD1-CB 4.11Å; L1016-L1705 WeakPolarHBondContact CD1-O 3.31Å
1706	S	25.5	Very low	27.9	Very low	80 Å²	80	120.5 Å²	120.5	56%	0.559	64%	0.639	S	S	*	*			cis	-176	160	-12.8	178.8	0	0	0	0	113.2
1707	Q	27	Very low	27.8	Very low	191 Å²	191	119.5 Å²	119.5	89%	0.893	64%	0.639	S	S	*	*			trans	61.6	147	162.3	-76	153.2	5.3	0	0	118.5
1708	G	26.8	Very low	27.7	Very low	60 Å²	60	123 Å²	123	62%	0.619	65%	0.645	S	S	*	*			cis	157.5	149.8	-6.9	0	0	0	0	0	111.5
1709	E	26.7	Very low	27.6	Very low	184 Å²	184	118 Å²	118	86%	0.86	64%	0.64	S	S	*	*			trans	65.1	162.9	169	-60.1	-164.9	-163.8	0	0	115.7
1710	N	25.4	Very low	27.4	Very low	114 Å²	114	119.2 Å²	119.2	61%	0.61	65%	0.645	S	S	*	*			cis	-158.4	170.2	-20.6	-122.6	-41	0	0	0	109.9
1711	I	26.8	Very low	27.3	Very low	130 Å²	130	120 Å²	120	67%	0.667	65%	0.649	S	S	*	*			trans	60.7	107.2	139.2	-70.8	166.3	0	0	0	120.6
1712	N	27.7	Very low	27	Very low	130 Å²	130	118.1 Å²	118.1	70%	0.695	65%	0.652	S	S	*	*				76.2	142.5	126.1	-68.2	-5.9	0	0	0	125.9
1713	N	27.2	Very low	27.1	Very low	116 Å²	116	117.3 Å²	117.3	62%	0.62	66%	0.655	S	S	*	*			trans	80.4	111.1	131.2	-77	-21.3	0	0	0	124.3
1714	R	25.6	Very low	26.8	Very low	157 Å²	157	122.2 Å²	122.2	59%	0.592	67%	0.672	S	S	*	*				63	150.3	110.6	-65.7	-179.5	-178.6	-164.4	1.8	123.3	N1034	N1034-R1714 WeakPolarHBondContact OD1-CA 3.48Å
1715	H	26.9	Very low	26.9	Very low	125 Å²	125	126.9 Å²	126.9	58%	0.579	69%	0.693	S	S	*	*			trans	66.4	147.8	165.8	-65.5	-75.8	0	0	0	116.9	N1034 N1035	N1034-H1715 VanDerWaalsContact CG-CA 3.44Å; N1034-H1715 PolarHBondContact ND2-N 2.64Å; N1034-H1715 PolarHBondContact ND2-O 3.21Å; N1034-H1715 VanDerWaalsContact ND2-O 3.14Å; N1034-H1715 PolarHBondContact OD1-N 3Å; N1035-H1715 PolarHBondContact ND2-CD2 3.18Å; N1035-H1715 VanDerWaalsContact ND2-CD2 3.29Å; N1035-H1715 PolarHBondContact ND2-CE1 2.68Å; N1035-H1715 PolarHBondContact ND2-N 2.84Å; N1035-H1715 VanDerWaalsContact ND2-N 3.19Å; N1035-H1715 PolarHBondContact ND2-ND1 2.78Å; N1035-H1715 VanDerWaalsContact ND2-ND1 3.17Å; N1035-H1715 PolarHBondContact ND2-NE2 3.39Å; N1035-H1715 VanDerWaalsContact ND2-NE2 3.19Å
1716	G	27.3	Very low	27	Very low	56 Å²	56	131.7 Å²	131.7	58%	0.577	70%	0.702	S	S	*	*			cis	-162.2	174.8	-1.3	0	0	0	0	0	114
1717	T	27.2	Very low	27.4	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	71%	0.705	S	S	*	*			trans	-79.5	159.7	174.5	21.7	0	0	0	0	112.9
1718	F	26.7	Very low	27.3	Very low	197 Å²	197	127.9 Å²	127.9	86%	0.864	69%	0.694	S	S	*	*			trans	169	145.6	144.8	-88.4	-62.6	0	0	0	107.9	H1720	F1718-H1720 AromaticContact CD1-NE2 3.93Å
1719	G	27.2	Very low	27.3	Very low	58 Å²	58	132.4 Å²	132.4	60%	0.598	70%	0.703	S	S	*	*			cis	161.3	159.1	-10.3	0	0	0	0	0	112
1720	H	29.8	Very low	27.4	Very low	151 Å²	151	128.2 Å²	128.2	70%	0.699	69%	0.694	S	S	*	*			trans	69.7	157.8	160.6	-53	-63	0	0	0	117.7	F1718	F1718-H1720 AromaticContact CD1-NE2 3.93Å
1721	Q	26.6	Very low	27.3	Very low	152 Å²	152	130 Å²	130	71%	0.71	70%	0.704	S	S	*	*			cis	-162.7	150.3	-15.8	-118	177.4	79.3	0	0	111.2
1722	S	25.9	Very low	27.3	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	71%	0.708	S	S	*	*			trans	61.9	162.8	146.8	-51.5	0	0	0	0	118.2
1723	A	27	Very low	27.1	Very low	79 Å²	79	131.6 Å²	131.6	65%	0.653	71%	0.712	S	S	*	*			cis	-145.6	164.9	1.5	0	0	0	0	0	112.1
1724	H	26.4	Very low	26.9	Very low	173 Å²	173	130.2 Å²	130.2	80%	0.801	71%	0.71	S	S	*	*			trans	11.5	147.8	134.7	-66.4	-78.1	0	0	0	120.4
1725	I	29.4	Very low	26.8	Very low	159 Å²	159	130 Å²	130	82%	0.815	72%	0.721	S	S	*	*			cis	-155.3	168.6	25.7	-133.8	154.7	0	0	0	113.2
1726	R	28.7	Very low	26.6	Very low	232 Å²	232	129.9 Å²	129.9	88%	0.875	73%	0.73	S	S	*	*			trans	-96.8	-158.9	179.3	-125.2	-173.9	-178.9	-172.8	1.1	109
1727	P	32.5	Very low	26.4	Very low	97 Å²	97	131.8 Å²	131.8	63%	0.63	73%	0.734	S	S	*	*			cis	-134.4	-164.3	-13.6	27.2	-1.7	0	0	0	113.9
1728	S	25.7	Very low	26.3	Very low	95 Å²	95	132.4 Å²	132.4	66%	0.664	74%	0.737	S	S	*	*			trans	73.4	147.9	135.4	53.2	0	0	0	0	121
1729	L	27.2	Very low	26.2	Very low	154 Å²	154	129.5 Å²	129.5	81%	0.806	73%	0.731	S	S	*	*			cis	-162.2	171.4	-11.5	-114.4	168.9	0	0	0	110.2
1730	S	27.2	Very low	26.1	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	73%	0.733	S	S	*	*			trans	52.3	120.8	159.2	46.4	0	0	0	0	119.1
1731	N	23.9	Very low	26	Very low	153 Å²	153	132 Å²	132	82%	0.818	74%	0.741	S	S	*	*			cis	74.2	152.6	46.7	-161.3	20.5	0	0	0	114.1
1732	I	27.8	Very low	26.1	Very low	145 Å²	145	127.7 Å²	127.7	74%	0.744	74%	0.738	S	S	*	*			trans	79.6	93.2	-172.5	-49.2	165.3	0	0	0	111.8
1733	N	23.7	Very low	26.7	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	74%	0.738	S	S	*	*				66.6	149.4	72.3	-158.6	20.7	0	0	0	115.4
1734	C	22.7	Very low	26.9	Very low	87 Å²	87	131.9 Å²	131.9	59%	0.588	74%	0.741	S	S	*	*			trans	75.2	97.1	167.2	-61.2	0	0	0	0	120.1
1735	N	22.3	Very low	26.8	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	74%	0.742	S	S	*	*				66.2	169.1	128.4	-71.1	-5.2	0	0	0	122.1
1736	T	24	Very low	26.7	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	74%	0.743	S	S	*	*			trans	63.6	83.6	156.8	35.9	0	0	0	0	118.4
1737	S	22.6	Very low	26.6	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	74%	0.742	S	S	*	*				62.1	117.5	111.8	65.8	0	0	0	0	121.3
1738	V	25.1	Very low	26.8	Very low	128 Å²	128	127.9 Å²	127.9	78%	0.776	75%	0.745	S	S	*	*				85.5	141.3	122.8	171.5	0	0	0	0	119.2
1739	D	24.8	Very low	26.7	Very low	137 Å²	137	127.5 Å²	127.5	73%	0.733	74%	0.742	S	S	*	*			trans	78.2	99.2	158	-85.5	-38	0	0	0	123.6
1740	S	25.1	Very low	26.6	Very low	92 Å²	92	128 Å²	128	64%	0.643	74%	0.74	S	S	*	*				92.4	160.5	103.9	-84.1	0	0	0	0	122.9
1741	I	28.5	Very low	26.6	Very low	169 Å²	169	130 Å²	130	87%	0.867	74%	0.744	S	S	*	*			trans	75.8	109.7	164.8	-60.8	137.3	0	0	0	117
1742	G	27.8	Very low	27	Very low	62 Å²	62	130.8 Å²	130.8	64%	0.639	75%	0.747	S	S	*	*			trans	-99.4	-132.5	150.8	0	0	0	0	0	109
1743	P	37.7	Very low	27.2	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	74%	0.741	S	S	*	*			cis	-111	-163.7	-32.6	41.1	-30.8	0	0	0	110.4
1744	H	31.1	Very low	27.4	Very low	157 Å²	157	128.7 Å²	128.7	73%	0.727	74%	0.737	S	S	*	*				173.5	129.2	127.3	-104.7	-110	0	0	0	113.9
1745	Y	25.9	Very low	27.7	Very low	207 Å²	207	130.8 Å²	130.8	81%	0.812	74%	0.738	S	S	*	*			trans	26.9	132.4	144.4	-66	-110.9	0	0	0	122.4
1746	A	27.2	Very low	27.8	Very low	102 Å²	102	130 Å²	130	84%	0.843	73%	0.732	S	S	*	*				168.8	151.5	110.8	0	0	0	0	0	114.5
1747	L	27.1	Very low	27.9	Very low	163 Å²	163	129.4 Å²	129.4	85%	0.853	72%	0.722	S	S	*	*			trans	-113.8	177.6	172.3	-83.8	165	0	0	0	108.2
1748	P	35.3	Very low	28.2	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	73%	0.726	S	S	*	*			cis	-136.4	-151.2	-26	32.4	-9	0	0	0	111.6
1749	S	24	Very low	28.2	Very low	86 Å²	86	130.4 Å²	130.4	60%	0.601	72%	0.717	S	S	*	*			trans	94.1	141.1	149.5	-65.3	0	0	0	0	120
1750	Q	24.6	Very low	28.3	Very low	164 Å²	164	130.2 Å²	130.2	77%	0.766	72%	0.716	S	S	*	*			trans	43.3	134.3	134.2	-63.4	173.3	-88.7	0	0	118.7
1751	D	28.4	Very low	28.5	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	72%	0.72	S	S	*	*			cis	-153.5	165.8	39.4	-100.1	-46.2	0	0	0	114.4
1752	L	32.3	Very low	28.5	Very low	168 Å²	168	133 Å²	133	88%	0.88	72%	0.718	S	S	*	*			trans	-93.4	126	159.4	-163.3	86.6	0	0	0	109.6
1753	P	32.4	Very low	28.4	Very low	96 Å²	96	133.1 Å²	133.1	62%	0.623	72%	0.72	S	S	*	*			trans	-144	160.1	134.6	37.1	-22.7	0	0	0	111.6
1754	Q	27.1	Very low	27.9	Very low	152 Å²	152	132.9 Å²	132.9	71%	0.71	72%	0.721	S	S	*	*			cis	-168.2	-174.9	-5.1	-120.1	175.5	-7.7	0	0	108.6
1755	H	28.5	Very low	27.7	Very low	132 Å²	132	132.3 Å²	132.3	61%	0.611	72%	0.723	S	S	*	*			trans	48.1	138.5	139.4	-70.7	-33.8	0	0	0	122.6
1756	M	25.3	Very low	27.8	Very low	136 Å²	136	130 Å²	130	67%	0.67	71%	0.712	S	S	*	*			cis	-174.3	165.2	-10.1	-137.8	-175.3	-20.6	0	0	112.6
1757	I	26.4	Very low	27.8	Very low	111 Å²	111	130.8 Å²	130.8	57%	0.569	70%	0.699	S	S	*	*			trans	76.9	113.3	139.8	-90.8	175.3	0	0	0	120.8
1758	H	28.9	Very low	28	Very low	161 Å²	161	131.6 Å²	131.6	75%	0.745	70%	0.698	S	S	*	*			trans	66.2	149.6	134.2	-58.8	161.7	0	0	0	121.7
1759	S	25	Very low	27.9	Very low	83 Å²	83	131.7 Å²	131.7	58%	0.58	70%	0.699	S	S	*	*			cis	-172.8	169.7	-19.2	-98	0	0	0	0	110.8
1760	N	26.9	Very low	28	Very low	132 Å²	132	132 Å²	132	71%	0.706	70%	0.701	S	S	*	*			trans	77.5	118.7	141.1	-77.1	-5.5	0	0	0	122.1
1761	L	28.4	Very low	28	Very low	140 Å²	140	134.5 Å²	134.5	73%	0.733	71%	0.705	S	S	*	*				71.7	152.2	124.4	-60.1	171.7	0	0	0	120
1762	H	27.5	Very low	27.8	Very low	179 Å²	179	135 Å²	135	83%	0.829	71%	0.707	S	S	*	*			cis	-173.7	160.9	-35.2	-140.8	-113.3	0	0	0	109
1763	G	27.6	Very low	27.5	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	70%	0.697	S	S	*	*			trans	93.4	118.7	167.3	0	0	0	0	0	114.9
1764	S	25.9	Very low	27.1	Very low	110 Å²	110	133 Å²	133	77%	0.769	71%	0.708	S	S	*	*			cis	95.4	151.1	12.1	-157.7	0	0	0	0	117.3
1765	L	27.8	Very low	27	Very low	144 Å²	144	129.1 Å²	129.1	75%	0.754	71%	0.709	S	S	*	*			trans	74.9	145.8	173.9	-64.4	111.5	0	0	0	119.2
1766	R	28	Very low	27.2	Very low	158 Å²	158	128.8 Å²	128.8	60%	0.596	72%	0.719	S	S	*	*			cis	-174.8	163.8	-34.4	-126.3	179.3	168.4	-137.4	8.4	111.6
1767	Q	26.7	Very low	27.3	Very low	119 Å²	119	128.7 Å²	128.7	56%	0.556	73%	0.732	S	S	*	*			trans	76.9	113.8	144.5	-77.7	172.7	141.5	0	0	122.7	Y999	Y999-Q1767 PolarHBondContact O-NE2 3.28Å
1768	Q	32	Very low	27.4	Very low	180 Å²	180	127.1 Å²	127.1	84%	0.841	74%	0.742	S	S	*	*			trans	-44.5	174.7	135.5	-102.6	-177.3	2.5	0	0	113.7
1769	P	32.7	Very low	27.4	Very low	108 Å²	108	123.5 Å²	123.5	70%	0.701	75%	0.748	S	S	*	*			cis	-163.2	-173.5	49.4	47.5	-24.7	0	0	0	120.9
1770	S	25.7	Very low	27.6	Very low	92 Å²	92	122.8 Å²	122.8	64%	0.643	75%	0.754	S	S	*	*			trans	73.9	126.6	140.2	-69.5	0	0	0	0	123.8
1771	Y	23.9	Very low	27.8	Very low	217 Å²	217	124.2 Å²	124.2	85%	0.851	76%	0.761	S	S	*	*			trans	31.3	127.4	133.9	-61.2	-90.8	0	0	0	120.1
1772	D	25.9	Very low	27.9	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	76%	0.758	S	S	*	*				-161.3	-174.8	85.9	-137	-44.7	0	0	0	113.2
1773	S	24.1	Very low	27.9	Very low	93 Å²	93	118.8 Å²	118.8	65%	0.65	75%	0.745	S	S	*	*			trans	-77.8	-179	-163.7	-52.8	0	0	0	0	116
1774	C	25.2	Very low	28	Very low	129 Å²	129	124.6 Å²	124.6	87%	0.872	76%	0.755	S	S	*	*			trans	84.8	115	167.6	-53.5	0	0	0	0	118
1775	G	24.8	Very low	28.1	Very low	70 Å²	70	122 Å²	122	72%	0.722	75%	0.746	S	S	*	*			trans	-96.1	-148.7	143.6	0	0	0	0	0	109.7
1776	P	33.1	Very low	28.2	Very low	126 Å²	126	124.7 Å²	124.7	82%	0.818	75%	0.752	S	S	*	*			cis	-127.2	136.4	-21	36.3	-21.5	0	0	0	112.5
1777	S	27	Very low	28.6	Very low	134 Å²	134	128.8 Å²	128.8	94%	0.937	78%	0.783	S	S	*	*			trans	-162.6	145.2	170	-61.1	0	0	0	0	109.8
1778	G	28.8	Very low	28.7	Very low	77 Å²	77	129.3 Å²	129.3	79%	0.794	79%	0.794	S	S	*	*			cis	163	129.2	-6.3	0	0	0	0	0	110.8
1779	G	29.5	Very low	28.5	Very low	85 Å²	85	126.6 Å²	126.6	88%	0.876	79%	0.792	S	S	*	*			trans	78.5	122.7	-176.1	0	0	0	0	0	113.5
1780	G	28.9	Very low	28.3	Very low	68 Å²	68	127.7 Å²	127.7	70%	0.701	80%	0.797	S	S	*	*			cis	116.6	162.3	0.6	0	0	0	0	0	112.7
1781	L	29.8	Very low	28.4	Very low	162 Å²	162	129.8 Å²	129.8	85%	0.848	81%	0.806	S	S	*	*			trans	67.4	144.2	-178.3	-44.7	175.6	0	0	0	113.6
1782	N	30.9	Very low	28.7	Very low	126 Å²	126	124.3 Å²	124.3	67%	0.674	80%	0.803	S	S	*	*			cis	-152.9	128.1	-12	-110.9	-5.5	0	0	0	106.2
1783	S	28.4	Very low	28.9	Very low	80 Å²	80	122.5 Å²	122.5	56%	0.559	80%	0.803	S	S	*	*				69	131.2	85.2	89.8	0	0	0	0	114.6
1784	Q	29.3	Very low	29.3	Very low	187 Å²	187	124.6 Å²	124.6	87%	0.874	81%	0.814	S	S	*	*			trans	72.4	136.2	173.1	-48.8	179.5	12.6	0	0	115.7
1785	G	28.6	Very low	29.6	Very low	57 Å²	57	124.3 Å²	124.3	59%	0.588	81%	0.809	S	S	*	*			cis	157.1	158.5	-8.4	0	0	0	0	0	113.1
1786	F	29.8	Very low	30	Very low	200 Å²	200	128.8 Å²	128.8	88%	0.877	82%	0.816	S	S	*	*			trans	63.5	126.1	176.6	-49.4	-84.5	0	0	0	114.6
1787	I	35.7	Very low	29.7	Very low	244 Å²	244	129.1 Å²	129.1	100%	1.251	82%	0.816	S	S	*	*			cis	-114.3	0	9.4	-61.9	172.2	0	0	0	109.4

Retrieved 1,787 of 1,787 residues in 1722.9 ms (Link to these results)

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