A0A5K4F8V6_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8V6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,132 aa.

						>A0A5K4F8V6_SCHMA|A0A5K4F8V6
MMSCFPYGHRGSASSQFDRSEVTQNWVNNPTRGTDTTGGRTPAPPLRTTSAPLGSSIENISFKPNKPLPLTPVEEEKRDKKKYKSGTSKLGKFKPSIMLNISAPVNVMHKVHITIDPVTGEFEGMPPEWSHMLTVAGITKWEQQQNPTVVLNVLNLLSRKDDTPQKYMTSIIGPPSALDLSSTDQINSSNDSNISQALSLPASSCTKCCTPDTERVTSLTRISCSVDVGPRSSSLSSGRGSSEGIGSRSGSGSGGAVSRSSSSGHGGVGGSSGIQMSGMVLSPSGSSNVAIPPSSSYSSSGSSYSSSTGSGPAPPAVINGVELIPAPLLPHKLSFSPSGQALNYSAISNSSMDSAANTTILNSMSDSQAIHQSSLTLPPLAPAIHNHTCIVGNTTCTPGSYQHHHHTNMASHRGATESGIHSDHEIRSVTMGSCTNFNTVTSVNSRSIPPHPSPYVMQPTSSSLSSRQSHLDYTNQTNQKTPWRPQIHSHLNNPPPPLSPGLPRRFADGILPPPDISNNTTIQYCSSGQSSPSPAGSATPVPTPRRESLAGTPSCQRTVLPINTNNTNNVIIVNSSGVHPPPIATRPEKTKSIYTQPIGGGDINSTAQSFNNSDDSSTSIHSTSLQLPDVYLQSANPISTVKKSNSYEFDDESSTMLLPTNTSTIPTIVNDHIDKSINDQLDFLNTNSICTTMVPSTNTTTTTNNNSILSTMCNATNTLISMTSSSSSTTTTMPMTNLSSIHNHSLTCNQHHFHNATSTTNTNTDTSTTTCTVKSINHQQISSNNTMITNPIDNNNNNHQQQQHHHHHSNNDNNHTIGTLERNNLNKKCKSKMTDEMIQEKLRMIVSIGDPNRKYQRLEKIGQGASGVVYSGIESSTGRRVAIKQMNLKKQPKKELIVNEIYVMKVKKHPNVVNYLDSYLVGDELWVVMEYLDGGSLTEVVTETLMDEGQIAAVCRECLQALEFLHKNQVIHRDIKSDNILLGLDGSVKLTDFGFCAQLSAEQTKRSTMVGTPYWMAPEVVTRKQYGPKVDIWSLGIMAIEMIDGEPPYLNENPVRALYLIGTNGKPEIKERDKLSAEFLDFLDRCLEVNVDLRASAFELLKHPFIVRRSKPLSSLTPLILVARDQARNQTQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.9	Very low	35.6	Very low	224 Å²	224	150.1 Å²	150.1	100%	1.103	80%	0.797	S	S	*	*				0	104.4	0	-67.5	163	179.9	0	0	105.6
2	M	31.3	Very low	35.4	Very low	178 Å²	178	148.4 Å²	148.4	88%	0.877	81%	0.806	S	S	*	*				75.9	119.8	86.1	-70.1	151	156.1	0	0	111.1
3	S	36	Very low	35.5	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	81%	0.807	S	S	*	*			cis	-157.7	143.1	-6.4	46.9	0	0	0	0	108
4	C	33.1	Very low	35.2	Very low	103 Å²	103	142.5 Å²	142.5	70%	0.696	81%	0.807	S	S	*	*				44	129.8	87	-43.3	0	0	0	0	112.5
5	F	35.9	Very low	35.3	Very low	195 Å²	195	140.5 Å²	140.5	86%	0.855	81%	0.805	S	S	*	*				-141.7	164.4	51.3	-95.7	-96.6	0	0	0	116.3
6	P	43.4	Very low	35.1	Very low	91 Å²	91	141.7 Å²	141.7	59%	0.591	80%	0.802	S	S	*	*			trans	-126.6	-159.5	-171.4	35.3	-12.7	0	0	0	114
7	Y	35.9	Very low	35	Very low	220 Å²	220	145.5 Å²	145.5	86%	0.863	81%	0.808	S	S	*	*			trans	75.7	144.9	177.9	-58.1	-86.2	0	0	0	116.6
8	G	33.9	Very low	35	Very low	61 Å²	61	144.3 Å²	144.3	63%	0.629	80%	0.8	S	S	*	*			cis	160.4	172.9	-9.1	0	0	0	0	0	114.3
9	H	38.2	Very low	34.8	Very low	168 Å²	168	148.4 Å²	148.4	78%	0.778	80%	0.802	S	S	*	*			trans	72.8	115.5	175	-70.3	20.6	0	0	0	114.8
10	R	33.9	Very low	34.8	Very low	237 Å²	237	145.4 Å²	145.4	89%	0.894	79%	0.793	S	S	*	*				94.7	111.3	61.6	-90.5	-170.2	173.1	-148	0.6	110.6
11	G	33.7	Very low	34.7	Very low	78 Å²	78	147.8 Å²	147.8	80%	0.804	80%	0.798	S	S	*	*			trans	-167.6	62.8	178.8	0	0	0	0	0	110.6	A13	G11-A13 PolarHBondContact O-N 3.4Å
12	S	33.3	Very low	34.6	Very low	130 Å²	130	143.2 Å²	143.2	91%	0.909	78%	0.783	S	S	*	*			trans	-79	110	-178	49.1	0	0	0	0	111.2
13	A	36.6	Very low	34.8	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	78%	0.777	S	S	*	*			trans	-119.4	115.1	166.7	0	0	0	0	0	108.7	G11	G11-A13 PolarHBondContact O-N 3.4Å
14	S	31.9	Very low	34.6	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	79%	0.785	S	S	*	*			trans	-89.2	126.8	-177.5	48.8	0	0	0	0	111.5
15	S	36.9	Very low	34.7	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	79%	0.79	S	S	*	*			trans	-116	89.1	157.1	62	0	0	0	0	109	F17	S15-F17 PolarHBondContact O-N 3.38Å
16	Q	31.5	Very low	34.3	Very low	160 Å²	160	149.5 Å²	149.5	75%	0.748	80%	0.795	S	S	*	*			trans	-60.6	127.5	156	-72.7	167.3	-91.9	0	0	107.2
17	F	34	Very low	34.1	Very low	206 Å²	206	151 Å²	151	90%	0.904	80%	0.802	S	S	*	*			trans	-112.9	109.4	149.1	-118.9	-81.9	0	0	0	106.2	S15	S15-F17 PolarHBondContact O-N 3.38Å
18	D	34	Very low	34.1	Very low	125 Å²	125	147.5 Å²	147.5	67%	0.668	80%	0.798	S	S	*	*			trans	-73.8	156.8	-168.5	-143.7	-27.5	0	0	0	111.7
19	R	31.7	Very low	34.1	Very low	221 Å²	221	151.8 Å²	151.8	83%	0.834	81%	0.807	S	S	*	*			trans	-120.9	45.2	-167.1	-157.5	-173.7	-178.7	179	1.3	112.3
20	S	34.7	Very low	34.1	Very low	89 Å²	89	148.6 Å²	148.6	62%	0.622	80%	0.801	S	S	*	*			trans	-150.3	106.2	178.5	52.7	0	0	0	0	111.6
21	E	33.6	Very low	34.2	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	80%	0.797	S	S	*	*				-164.2	136.6	105.2	-103	-174.5	153.4	0	0	110.9
22	V	33.8	Very low	34.2	Very low	128 Å²	128	151.7 Å²	151.7	78%	0.776	80%	0.803	S	S	*	*			trans	-122.7	131.9	170.1	170.7	0	0	0	0	106.3
23	T	34	Very low	34.3	Very low	124 Å²	124	149 Å²	149	76%	0.761	80%	0.795	S	S	*	*			trans	54.5	111.2	174.9	51.7	0	0	0	0	117.5
24	Q	33.4	Very low	34.4	Very low	177 Å²	177	150.6 Å²	150.6	83%	0.827	80%	0.795	S	S	*	*				-169	-172.9	105.4	-103.2	-171.3	35.5	0	0	112.3
25	N	34.4	Very low	34.6	Very low	150 Å²	150	152.6 Å²	152.6	80%	0.802	80%	0.797	S	S	*	*			trans	69.4	69	170.4	-60.4	-19.5	0	0	0	118
26	W	28.2	Very low	34.5	Very low	254 Å²	254	153.6 Å²	153.6	96%	0.962	80%	0.799	S	S	*	*			trans	-75.9	142.4	133.8	-85.9	32.7	0	0	0	109.5
27	V	38	Very low	34.8	Very low	121 Å²	121	153 Å²	153	73%	0.733	81%	0.806	S	S	*	*			trans	155	118.6	138.8	159.5	0	0	0	0	111
28	N	37	Very low	34.8	Very low	148 Å²	148	146.3 Å²	146.3	79%	0.791	80%	0.796	S	S	*	*			trans	63	149.6	168.6	-54.4	-19.1	0	0	0	116.9
29	N	34	Very low	34.8	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	80%	0.804	S	S	*	*			cis	-144.1	163.1	4.7	-138.8	13.7	0	0	0	110.2
30	P	37.5	Very low	35	Very low	101 Å²	101	145.3 Å²	145.3	66%	0.656	81%	0.808	S	S	*	*			trans	-107.4	162.4	-163.4	39.8	-36.2	0	0	0	116.6
31	T	36.8	Very low	35.4	Very low	132 Å²	132	147.1 Å²	147.1	81%	0.81	82%	0.816	S	S	*	*				-175.7	145.7	129.2	17.3	0	0	0	0	113
32	R	34.1	Very low	35.8	Very low	247 Å²	247	143.7 Å²	143.7	93%	0.932	81%	0.81	S	S	*	*			trans	31.4	122.8	160.5	-64.1	173.7	169.1	169.1	-5.2	118.3
33	G	34.5	Very low	36.3	Very low	73 Å²	73	141.9 Å²	141.9	75%	0.753	81%	0.809	S	S	*	*			cis	106.1	135	41.7	0	0	0	0	0	109.1
34	T	39.6	Very low	36.8	Very low	134 Å²	134	141.3 Å²	141.3	82%	0.822	81%	0.807	S	S	*	*			cis	-149	155.3	23.2	47.4	0	0	0	0	114.9
35	D	35.3	Very low	37.1	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	81%	0.806	S	S	*	*			trans	70.1	131.6	151.8	-66.7	9.1	0	0	0	122.9
36	T	34.9	Very low	37.3	Very low	133 Å²	133	139.5 Å²	139.5	82%	0.816	81%	0.809	S	S	*	*			trans	-146.9	148.6	-177.8	59	0	0	0	0	109.7
37	T	37.4	Very low	37.7	Very low	147 Å²	147	138 Å²	138	90%	0.902	80%	0.803	S	S	*	*			trans	-125.4	44.6	170.7	50.1	0	0	0	0	113.4	G39	T37-G39 PolarHBondContact O-N 3.48Å
38	G	34	Very low	37.3	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	81%	0.807	S	S	*	*			trans	-62.4	123.3	165.9	0	0	0	0	0	111.2	R40	G38-R40 PolarHBondContact O-N 2.66Å
39	G	33.6	Very low	37.4	Very low	82 Å²	82	136.9 Å²	136.9	85%	0.845	80%	0.802	S	S	*	*			trans	-69.9	88.6	-169.9	0	0	0	0	0	114.8	T37 T41	T37-G39 PolarHBondContact O-N 3.48Å; G39-T41 PolarHBondContact O-N 2.66Å
40	R	35.5	Very low	37.4	Very low	243 Å²	243	135.6 Å²	135.6	92%	0.917	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.1	125.8	162.9	-77.1	-172.5	174	-170.4	-1.3	109.9	G38	G38-R40 PolarHBondContact O-N 2.66Å
41	T	43.1	Very low	37.6	Very low	127 Å²	127	135.2 Å²	135.2	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-59.5	137.4	166.8	48.2	0	0	0	0	110.2	G39	G39-T41 PolarHBondContact O-N 2.66Å
42	P	42.9	Very low	37.6	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.1	143.9	178.3	27.3	-34.8	0	0	0	110.8
43	A	45.3	Very low	37.7	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60.5	142.7	175.6	0	0	0	0	0	110.8
44	P	42.8	Very low	37.7	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.9	174.5	27.2	-34.3	0	0	0	110.3	L46	P44-L46 PolarHBondContact O-N 2.89Å
45	P	40.3	Very low	37.4	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.2	126.7	-174.9	24.9	-34	0	0	0	111.5	R47	P45-R47 PolarHBondContact O-N 3.27Å
46	L	37.8	Very low	37.4	Very low	165 Å²	165	128.3 Å²	128.3	86%	0.864	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.2	176.9	-77.4	168.4	0	0	0	110.5	P44 T48	P44-L46 PolarHBondContact O-N 2.89Å; L46-T48 PolarHBondContact O-N 2.8Å; L46-T48 VanDerWaalsContact O-N 3.07Å
47	R	38	Very low	37.4	Very low	223 Å²	223	129.4 Å²	129.4	84%	0.842	80%	0.802	S	S	*	*			trans	-84.7	81.4	-176	-169.7	178	-175.4	139.7	1.9	111.2	P45 T49	P45-R47 PolarHBondContact O-N 3.27Å; R47-T49 PolarHBondContact O-N 3.06Å
48	T	29.4	Very low	37.1	Very low	133 Å²	133	130.1 Å²	130.1	82%	0.816	80%	0.795	S	S	*	*			trans	-71.6	91.4	173.7	55.1	0	0	0	0	111.2	L46	L46-T48 PolarHBondContact O-N 2.8Å; L46-T48 VanDerWaalsContact O-N 3.07Å
49	T	38.2	Very low	37.1	Very low	112 Å²	112	133.1 Å²	133.1	69%	0.687	80%	0.796	S	S	*	*			trans	-132.6	113.7	168.1	48.7	0	0	0	0	109.9	R47	R47-T49 PolarHBondContact O-N 3.06Å
50	S	34.8	Very low	37.3	Very low	124 Å²	124	137.4 Å²	137.4	87%	0.867	80%	0.797	S	S	*	*			trans	-90.2	148.6	-170.3	46.2	0	0	0	0	113.8
51	A	40.8	Very low	37	Very low	93 Å²	93	130.3 Å²	130.3	77%	0.769	79%	0.785	S	S	*	*			trans	-135.2	127.9	157	0	0	0	0	0	107.5
52	P	36.5	Very low	36.7	Very low	132 Å²	132	133.9 Å²	133.9	86%	0.857	79%	0.79	S	S	*	*			trans	-81.1	127.5	-176.5	31	-32.7	0	0	0	111.2
53	L	37.6	Very low	36.3	Very low	178 Å²	178	137 Å²	137	93%	0.932	79%	0.791	S	S	*	*			trans	-87.4	146	166.2	-146.3	75.9	0	0	0	109.6
54	G	33.3	Very low	35.9	Very low	61 Å²	61	138.6 Å²	138.6	63%	0.629	79%	0.794	S	S	*	*			trans	-88.4	174.4	-179.9	0	0	0	0	0	114.4
55	S	34.8	Very low	35.6	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	80%	0.798	S	S	*	*			trans	62.4	90.3	167.7	51.5	0	0	0	0	119.3
56	S	33.7	Very low	35.5	Very low	114 Å²	114	143.9 Å²	143.9	80%	0.797	80%	0.8	S	S	*	*				93	148.6	118.1	-53.8	0	0	0	0	121.5
57	I	35.3	Very low	35.4	Very low	156 Å²	156	142.1 Å²	142.1	80%	0.8	80%	0.798	S	S	*	*			trans	76.4	70.4	169	-41.1	-172.3	0	0	0	117
58	E	32.5	Very low	35.3	Very low	162 Å²	162	139.4 Å²	139.4	76%	0.757	80%	0.8	S	S	*	*				56.5	138.1	118.3	-68.2	-169	-168.2	0	0	124.7
59	N	33.4	Very low	35.9	Very low	131 Å²	131	138.9 Å²	138.9	70%	0.701	80%	0.798	S	S	*	*			trans	70.3	90.1	147	-60.5	-28.1	0	0	0	120.7
60	I	36.6	Very low	35.9	Very low	172 Å²	172	141.9 Å²	141.9	88%	0.882	81%	0.81	S	S	*	*				-170.5	158.4	95.1	-91.8	158.2	0	0	0	109.7
61	S	30.7	Very low	36.3	Very low	93 Å²	93	142 Å²	142	65%	0.65	81%	0.805	S	S	*	*			trans	-118.8	131.8	-157.6	-177.9	0	0	0	0	115.5
62	F	37.1	Very low	36.1	Very low	203 Å²	203	143.6 Å²	143.6	89%	0.89	81%	0.808	S	S	*	*			trans	-139	146.8	156.3	-87.4	-80.4	0	0	0	110.9
63	K	33.8	Very low	36.1	Very low	188 Å²	188	143.7 Å²	143.7	82%	0.817	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-99.7	125.4	-157.7	-57.4	172	-176	172.6	0	114.1
64	P	37.5	Very low	36.3	Very low	124 Å²	124	144.4 Å²	144.4	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90	143.4	159	34.2	-30.6	0	0	0	111.3
65	N	35.8	Very low	36.5	Very low	151 Å²	151	150.5 Å²	150.5	81%	0.807	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-98	138.9	-177.6	-86.7	-48.2	0	0	0	113.2
66	K	37.4	Very low	36.5	Very low	194 Å²	194	153.8 Å²	153.8	84%	0.843	82%	0.819	S	S	*	*			trans	62.3	98.7	160.7	-62.8	178.1	179.8	178.7	0	117.8
67	P	37.2	Very low	36.7	Very low	128 Å²	128	156.4 Å²	156.4	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.5	159.8	160.9	33.9	-34.3	0	0	0	112
68	L	36.1	Very low	36.8	Very low	166 Å²	166	158.5 Å²	158.5	87%	0.869	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.9	155.7	171.2	-74.3	168.9	0	0	0	111.4
69	P	39.9	Very low	37.1	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72	153.5	-170.5	28.9	-36	0	0	0	114.1
70	L	38.4	Very low	37.6	Very low	176 Å²	176	158.6 Å²	158.6	92%	0.921	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.6	146.5	177.6	-68.5	164.5	0	0	0	111.9
71	T	43.1	Very low	37.6	Very low	125 Å²	125	159.1 Å²	159.1	77%	0.767	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.2	144.8	171.8	47.7	0	0	0	0	111.4
72	P	37.1	Very low	38	Very low	127 Å²	127	163 Å²	163	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.4	152	-177.3	-22.1	33.9	0	0	0	114.1
73	V	37.7	Very low	37.9	Very low	134 Å²	134	162.6 Å²	162.6	81%	0.812	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-97.6	127	167.7	178.8	0	0	0	0	107.9
74	E	40.7	Very low	38	Very low	193 Å²	193	162.6 Å²	162.6	90%	0.902	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.5	127.2	169.9	-67.9	-168.6	142.3	0	0	110.3
75	E	37.9	Very low	37.7	Very low	189 Å²	189	162.7 Å²	162.7	88%	0.883	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.8	130.1	174.5	-68.6	-168.4	101.2	0	0	111.5
76	E	34.3	Very low	37.5	Very low	181 Å²	181	158.6 Å²	158.6	85%	0.846	80%	0.803	S	S	*	*			trans	-105.7	126.9	170.3	-173.4	-173.2	-131.4	0	0	110.9
77	K	39.2	Very low	37.2	Very low	170 Å²	170	155.6 Å²	155.6	74%	0.739	80%	0.802	S	S	*	*			trans	-164.8	126.8	159.1	-106	137	-169	164.4	0	115.7
78	R	37	Very low	36.9	Very low	200 Å²	200	155.1 Å²	155.1	76%	0.755	80%	0.801	S	S	*	*			trans	85.2	111.8	138.3	-69.4	171.5	176.6	160.7	-1.6	122.1
79	D	38.8	Very low	36.9	Very low	115 Å²	115	157.3 Å²	157.3	62%	0.615	80%	0.804	S	S	*	*				63.6	118.5	120.9	-49.2	-16.5	0	0	0	119.7
80	K	42.3	Very low	36.7	Very low	179 Å²	179	159.7 Å²	159.7	78%	0.778	81%	0.809	S	S	*	*				-170.5	130.2	57.5	-98.9	113.5	-171.2	165.7	0	114.1
81	K	37.9	Very low	36.4	Very low	183 Å²	183	154.4 Å²	154.4	80%	0.796	80%	0.797	S	S	*	*				49.4	105.2	114.7	-151.1	-177.7	-168.3	170.8	0	119.8
82	K	39.4	Very low	36.1	Very low	174 Å²	174	158.1 Å²	158.1	76%	0.757	80%	0.803	S	S	*	*				165.3	123.7	111.4	-89.6	-159.4	171.2	-179.4	0	116.5
83	Y	35.2	Very low	36.2	Very low	195 Å²	195	162.1 Å²	162.1	77%	0.765	81%	0.807	S	S	*	*			trans	56.1	110.8	133.9	-77.2	-66.4	0	0	0	124.7
84	K	35.7	Very low	36.4	Very low	189 Å²	189	165 Å²	165	82%	0.822	81%	0.809	S	S	*	*				113.4	119.5	99.7	-164	170.8	-174.9	-175.8	0	120.1
85	S	30.9	Very low	36.4	Very low	125 Å²	125	161.9 Å²	161.9	87%	0.874	81%	0.805	S	S	*	*			trans	69.4	155.8	153.4	-160	0	0	0	0	118.9
86	G	31.8	Very low	36.7	Very low	66 Å²	66	158.3 Å²	158.3	68%	0.68	80%	0.801	S	S	*	*			trans	131.5	53.6	168	0	0	0	0	0	117.3
87	T	31.7	Very low	37.4	Very low	131 Å²	131	156.6 Å²	156.6	80%	0.804	80%	0.797	S	S	*	*			trans	8.8	142.3	156.9	48	0	0	0	0	122
88	S	30.6	Very low	37.5	Very low	118 Å²	118	156 Å²	156	83%	0.825	80%	0.798	S	S	*	*			trans	70.1	109.4	164.8	74.4	0	0	0	0	117.1
89	K	34.8	Very low	37.7	Very low	211 Å²	211	153.8 Å²	153.8	92%	0.917	80%	0.8	S	S	*	*			trans	-150.3	122.7	160.8	-133.2	165.5	-168.5	167.4	0	113.1	G91	K89-G91 PolarHBondContact O-N 3.43Å
90	L	36.4	Very low	38	Very low	172 Å²	172	155.1 Å²	155.1	90%	0.901	81%	0.808	S	S	*	*			trans	-55.5	112.1	171.1	-175.1	68.9	0	0	0	110.4
91	G	32.5	Very low	38.2	Very low	66 Å²	66	154.4 Å²	154.4	68%	0.68	81%	0.811	S	S	*	*			trans	-85.9	110.7	-174.1	0	0	0	0	0	113.2	K89	K89-G91 PolarHBondContact O-N 3.43Å
92	K	36.4	Very low	39.6	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.2	126.7	173.1	-62.7	179.6	-179.8	-178.4	0	110.2	K94	K92-K94 PolarHBondContact O-N 2.71Å
93	F	39.4	Very low	41.3	Very low	211 Å²	211	146 Å²	146	93%	0.925	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-62.1	123.7	170.5	-79.8	-94.5	0	0	0	110.4
94	K	41.2	Very low	42.8	Very low	196 Å²	196	141.9 Å²	141.9	85%	0.852	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.2	148	164.9	-99.4	-173.9	171.7	-176	0	109.5	K92	K92-K94 PolarHBondContact O-N 2.71Å
95	P	41.2	Very low	44.4	Very low	126 Å²	126	138.8 Å²	138.8	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.2	158.3	176.9	28.5	-34.8	0	0	0	112.3
96	S	43.9	Very low	46	Very low	115 Å²	115	140 Å²	140	80%	0.804	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-60.1	152	-169	-171.8	0	0	0	0	114.8	M98	S96-M98 PolarHBondContact O-N 3.08Å
97	I	49	Very low	47.4	Very low	145 Å²	145	142.1 Å²	142.1	74%	0.744	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.9	164.9	-64.4	167.2	0	0	0	109.4	L99	I97-L99 PolarHBondContact O-N 3.41Å
98	M	42.3	Very low	48.3	Very low	157 Å²	157	142.6 Å²	142.6	77%	0.773	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.5	117	169.6	-168.6	175.2	76.2	0	0	109	S96 N100	S96-M98 PolarHBondContact O-N 3.08Å; M98-N100 PolarHBondContact O-N 3.03Å
99	L	40.5	Very low	49.8	Very low	153 Å²	153	143.8 Å²	143.8	80%	0.801	78%	0.779	S	S	*	*			trans	-72.9	95.8	-177.4	-71.7	169	0	0	0	111	I97 I101	I97-L99 PolarHBondContact O-N 3.41Å; L99-I101 PolarHBondContact O-N 3.17Å
100	N	45	Very low	51	Low	143 Å²	143	142.5 Å²	142.5	77%	0.765	77%	0.773	S	S	*	*			trans	-65.6	103.8	165.2	-88.5	2.5	0	0	0	109.4	M98 S102	M98-N100 PolarHBondContact O-N 3.03Å; N100-S102 PolarHBondContact O-N 3.19Å
101	I	46.3	Very low	52.5	Low	164 Å²	164	137.6 Å²	137.6	84%	0.841	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.5	172.1	-54.4	175.3	0	0	0	108	L99	L99-I101 PolarHBondContact O-N 3.17Å
102	S	68.3	Low	54.5	Low	99 Å²	99	140.2 Å²	140.2	69%	0.692	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.5	159.7	176.9	49.8	0	0	0	0	112.3	N100	N100-S102 PolarHBondContact O-N 3.19Å
103	A	74	Confident	56.5	Low	81 Å²	81	132.7 Å²	132.7	67%	0.669	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-59.9	139.5	167.4	0	0	0	0	0	109.7	V105	A103-V105 PolarHBondContact O-N 3.11Å; A103-V105 VanDerWaalsContact O-N 3.12Å
104	P	66.1	Low	58.3	Low	109 Å²	109	125.1 Å²	125.1	71%	0.708	69%	0.685	S	S	*	*			trans	-69.8	113.1	-175.7	29.1	-35.1	0	0	0	110.5	V107	P104-V107 HydrophobicContact CB-CG2 3.7Å; P104-V107 HydrophobicContact CG-CG2 3.95Å; P104-V107 WeakPolarHBondContact O-CG2 3.33Å
105	V	70.9	Confident	60.2	Low	125 Å²	125	118.9 Å²	118.9	76%	0.758	66%	0.66	S	S	*	*			trans	-82.3	153.2	173.1	-66.3	0	0	0	0	110.9	A103 V107	A103-V105 PolarHBondContact O-N 3.11Å; A103-V105 VanDerWaalsContact O-N 3.12Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V105-V107 PolarHBondContact O-N 2.88Å
106	N	63.6	Low	62.1	Low	149 Å²	149	114.2 Å²	114.2	80%	0.797	63%	0.628	S	S	*	*	S	Bend	trans	51.6	42.6	178.2	-63.2	12	0	0	0	115	M108	N106-M108 VanDerWaalsContact C-N 3.35Å; N106-M108 PolarHBondContact O-N 2.94Å
107	V	62.2	Low	63.7	Low	112 Å²	112	114.9 Å²	114.9	68%	0.679	63%	0.63	S	S	*	*			trans	-67.6	89.8	170.9	-177.8	0	0	0	0	110	P104 V105	P104-V107 HydrophobicContact CB-CG2 3.7Å; P104-V107 HydrophobicContact CG-CG2 3.95Å; P104-V107 WeakPolarHBondContact O-CG2 3.33Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V105-V107 PolarHBondContact O-N 2.88Å
108	M	50.7	Low	65.1	Low	141 Å²	141	114.2 Å²	114.2	70%	0.695	63%	0.632	S	S	*	*			trans	-87.3	114.3	175.3	-66.5	-172.2	-71	0	0	111.1	N106 K110	N106-M108 VanDerWaalsContact C-N 3.35Å; N106-M108 PolarHBondContact O-N 2.94Å; M108-K110 VanDerWaalsContact C-N 3.29Å; M108-K110 HydrophobicContact CB-CG 4.42Å; M108-K110 PolarHBondContact O-N 3.44Å
109	H	61.6	Low	66.9	Low	143 Å²	143	110.1 Å²	110.1	66%	0.662	62%	0.616	S	S	*	*			trans	-80	76.9	172.1	-161.8	-89.2	0	0	0	110.1	V111 H112	H109-V111 PolarHBondContact CE1-O 3.13Å; H109-V111 PolarHBondContact ND1-O 3.22Å; H109-V111 VanDerWaalsContact ND1-O 3.11Å; H109-V111 PolarHBondContact O-N 2.84Å; H109-V111 VanDerWaalsContact O-N 3.09Å; H109-H112 AromaticContact CE1-CD2 3.85Å
110	K	60.6	Low	68.5	Low	183 Å²	183	103.9 Å²	103.9	80%	0.796	59%	0.588	S	S	*	*			trans	-56.2	-27.6	-166.9	-74	-167	172.5	-168.3	0	116.1	M108	M108-K110 VanDerWaalsContact C-N 3.29Å; M108-K110 HydrophobicContact CB-CG 4.42Å; M108-K110 PolarHBondContact O-N 3.44Å
111	V	66.3	Low	70.1	Confident	70 Å²	70	100.2 Å²	100.2	42%	0.424	57%	0.567	S	S	.	*			trans	-141.8	129.5	-179.8	179.6	0	0	0	0	107.8	H109 I113 G124 P126	H109-V111 PolarHBondContact CE1-O 3.13Å; H109-V111 PolarHBondContact ND1-O 3.22Å; H109-V111 VanDerWaalsContact ND1-O 3.11Å; H109-V111 PolarHBondContact O-N 2.84Å; H109-V111 VanDerWaalsContact O-N 3.09Å; V111-I113 HydrophobicContact CG1-CD1 4.38Å; V111-I113 HydrophobicContact CG1-CG1 3.82Å; V111-G124 WeakPolarHBondContact CG1-O 3.32Å; V111-P126 HydrophobicContact CG1-CG 3.91Å
112	H	74.9	Confident	71.7	Confident	121 Å²	121	93.4 Å²	93.4	56%	0.56	53%	0.531	S	S	*	.			trans	-126	120.4	168.1	-175.2	-101.5	0	0	0	107.1	H109	H109-H112 AromaticContact CE1-CD2 3.85Å
113	I	78.4	Confident	72.3	Confident	43 Å²	43	94 Å²	94	22%	0.221	52%	0.523	C	S	.	.			trans	-102.9	115	-179.1	-50.3	177	0	0	0	107.6	V111 F122 E123 M125 P126 W129 L151	V111-I113 HydrophobicContact CG1-CD1 4.38Å; V111-I113 HydrophobicContact CG1-CG1 3.82Å; I113-F122 HydrophobicContact CG2-CB 4.28Å; I113-F122 HydrophobicContact CG2-CD1 4.26Å; I113-E123 WeakPolarHBondContact CA-O 3.49Å; I113-E123 WeakPolarHBondContact CG2-O 3.33Å; I113-M125 HydrophobicContact CG2-CB 4.47Å; I113-P126 HydrophobicContact CD1-CG 4.41Å; I113-W129 HydrophobicContact CD1-CD2 4.44Å; I113-W129 HydrophobicContact CD1-CE3 3.45Å; I113-W129 VanDerWaalsContact CD1-CE3 3.45Å; I113-W129 HydrophobicContact CD1-CH2 4.02Å; I113-W129 HydrophobicContact CD1-CZ3 3.22Å; I113-L151 HydrophobicContact CG2-CD2 4Å
114	T	78.3	Confident	72.6	Confident	52 Å²	52	92.5 Å²	92.5	32%	0.319	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.3	172.9	18.4	0	0	0	0	110.1	F122 E123	T114-F122 CarbonylContact O-C 3.22Å; T114-F122 WeakPolarHBondContact O-CA 3.16Å; T114-E123 PolarHBondContact N-O 3.37Å; T114-E123 PolarHBondContact O-N 2.95Å; T114-E123 WeakPolarHBondContact OG1-CB 3.34Å; T114-E123 PolarHBondContact OG1-OE2 2.81Å
115	I	80.8	Confident	73.2	Confident	66 Å²	66	89.1 Å²	89.1	34%	0.338	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.1	155.7	-59.4	162.2	0	0	0	104.1	P117 E121 F122 P147 L151	I115-P117 WeakPolarHBondContact O-CD 3.49Å; I115-E121 WeakPolarHBondContact CA-O 3.3Å; I115-F122 HydrophobicContact CD1-CE1 4.41Å; I115-F122 HydrophobicContact CG1-CD1 3.97Å; I115-F122 HydrophobicContact CG1-CE1 3.76Å; I115-P147 HydrophobicContact CD1-CB 3.77Å; I115-P147 HydrophobicContact CD1-CG 4Å; I115-P147 HydrophobicContact CG1-CB 4.25Å; I115-L151 HydrophobicContact CD1-CD1 4.29Å; I115-L151 HydrophobicContact CG1-CD1 4.45Å
116	D	81.1	Confident	73.8	Confident	28 Å²	28	84 Å²	84	15%	0.15	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-63.2	121.9	171.2	165	23.9	0	0	0	108.6	V118 T119 G120 E121 E123	D116-V118 PolarHBondContact O-N 2.6Å; D116-V118 VanDerWaalsContact O-N 3.15Å; D116-V118 PolarHBondContact OD1-N 2.84Å; D116-T119 WeakPolarHBondContact OD2-CB 3.45Å; D116-T119 VanDerWaalsContact OD2-CG2 3.23Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.44Å; D116-T119 PolarHBondContact OD2-N 3.12Å; D116-T119 PolarHBondContact OD2-OG1 3.16Å; D116-G120 VanDerWaalsContact O-CA 3.28Å; D116-G120 WeakPolarHBondContact O-CA 3.44Å; D116-G120 PolarHBondContact O-N 2.84Å; D116-E121 PolarHBondContact N-O 2.7Å; D116-E123 HydrophobicContact CB-CG 4.22Å
117	P	77.7	Confident	74.8	Confident	128 Å²	128	81.9 Å²	81.9	83%	0.831	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12	179.9	28.7	-36.8	0	0	0	114.1	I115	I115-P117 WeakPolarHBondContact O-CD 3.49Å
118	V	77.9	Confident	75.9	Confident	131 Å²	131	82.6 Å²	82.6	79%	0.794	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-55	178.9	-174.3	0	0	0	0	111.9	D116	D116-V118 PolarHBondContact O-N 2.6Å; D116-V118 VanDerWaalsContact O-N 3.15Å; D116-V118 PolarHBondContact OD1-N 2.84Å
119	T	79.3	Confident	77.6	Confident	72 Å²	72	77.5 Å²	77.5	44%	0.442	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.2	-177.7	64.2	0	0	0	0	114.5	D116 E121 Q144	D116-T119 WeakPolarHBondContact OD2-CB 3.45Å; D116-T119 VanDerWaalsContact OD2-CG2 3.23Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.44Å; D116-T119 PolarHBondContact OD2-N 3.12Å; D116-T119 PolarHBondContact OD2-OG1 3.16Å; T119-E121 PolarHBondContact O-N 2.81Å; T119-E121 PolarHBondContact OG1-N 3.42Å; T119-Q144 PolarHBondContact O-NE2 2.9Å
120	G	73.8	Confident	78.7	Confident	21 Å²	21	73.2 Å²	73.2	22%	0.216	41%	0.409	C	S	.	.			trans	67.9	6.6	-171.6	0	0	0	0	0	114.6	D116	D116-G120 VanDerWaalsContact O-CA 3.28Å; D116-G120 WeakPolarHBondContact O-CA 3.44Å; D116-G120 PolarHBondContact O-N 2.84Å
121	E	78.4	Confident	79.9	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	40%	0.399	S	S	.	.			trans	-81	161.7	177.3	-61.7	-159.3	171.9	0	0	112.4	I115 D116 T119 E123 K140	I115-E121 WeakPolarHBondContact CA-O 3.3Å; D116-E121 PolarHBondContact N-O 2.7Å; T119-E121 PolarHBondContact O-N 2.81Å; T119-E121 PolarHBondContact OG1-N 3.42Å; E121-E123 PolarHBondContact O-N 2.89Å; E121-K140 WeakPolarHBondContact OE1-CD 3.4Å; E121-K140 WeakPolarHBondContact OE1-CE 3.41Å; E121-K140 IonicContact OE1-NZ 3.94Å; E121-K140 PolarHBondContact OE1-NZ 2.79Å; E121-K140 WeakPolarHBondContact OE2-CE 3.23Å; E121-K140 IonicContact OE2-NZ 3.43Å; E121-K140 PolarHBondContact OE2-NZ 2.76Å
122	F	81	Confident	80.8	Confident	21 Å²	21	69.2 Å²	69.2	9%	0.092	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	101.8	177.7	-64.6	-60	0	0	0	112.1	I113 T114 I115 M125 Q143 P147 V150 L151	I113-F122 HydrophobicContact CG2-CB 4.28Å; I113-F122 HydrophobicContact CG2-CD1 4.26Å; T114-F122 CarbonylContact O-C 3.22Å; T114-F122 WeakPolarHBondContact O-CA 3.16Å; I115-F122 HydrophobicContact CD1-CE1 4.41Å; I115-F122 HydrophobicContact CG1-CD1 3.97Å; I115-F122 HydrophobicContact CG1-CE1 3.76Å; F122-M125 HydrophobicContact CB-CB 4.05Å; F122-M125 HydrophobicContact CB-CE 4.18Å; F122-M125 HydrophobicContact CB-SD 4.3Å; F122-M125 HydrophobicContact CD2-CE 4.33Å; F122-M125 HydrophobicContact CD2-SD 4.23Å; F122-Q143 HydrophobicContact CE2-CB 3.99Å; F122-Q143 HydrophobicContact CE2-CG 4.32Å; F122-P147 HydrophobicContact CE1-CB 3.85Å; F122-P147 HydrophobicContact CZ-CB 3.68Å; F122-V150 HydrophobicContact CE2-CB 4.14Å; F122-V150 HydrophobicContact CE2-CG1 3.76Å; F122-V150 HydrophobicContact CZ-CB 4.11Å; F122-V150 HydrophobicContact CZ-CG1 4.15Å; F122-L151 HydrophobicContact CD1-CD1 4.49Å; F122-L151 HydrophobicContact CD1-CD2 4.07Å; F122-L151 HydrophobicContact CD1-CG 4.28Å; F122-L151 HydrophobicContact CE1-CD1 3.75Å; F122-L151 HydrophobicContact CE1-CD2 3.74Å; F122-L151 HydrophobicContact CE1-CG 3.48Å; F122-L151 VanDerWaalsContact CE1-CG 3.48Å; F122-L151 HydrophobicContact CZ-CD2 4.26Å; F122-L151 HydrophobicContact CZ-CG 3.87Å
123	E	81.3	Confident	81.5	Confident	110 Å²	110	63.6 Å²	63.6	51%	0.514	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	146.3	166.5	-69.5	-169.9	133.8	0	0	111.2	I113 T114 D116 E121 M125	I113-E123 WeakPolarHBondContact CA-O 3.49Å; I113-E123 WeakPolarHBondContact CG2-O 3.33Å; T114-E123 PolarHBondContact N-O 3.37Å; T114-E123 PolarHBondContact O-N 2.95Å; T114-E123 WeakPolarHBondContact OG1-CB 3.34Å; T114-E123 PolarHBondContact OG1-OE2 2.81Å; D116-E123 HydrophobicContact CB-CG 4.22Å; E121-E123 PolarHBondContact O-N 2.89Å; E123-M125 PolarHBondContact O-N 2.95Å; E123-M125 VanDerWaalsContact O-N 3.16Å
124	G	79.5	Confident	81.9	Confident	50 Å²	50	66.3 Å²	66.3	52%	0.515	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	9.4	176.1	0	0	0	0	0	115.4	V111	V111-G124 WeakPolarHBondContact CG1-O 3.32Å
125	M	79.7	Confident	82.4	Confident	38 Å²	38	67.9 Å²	67.9	19%	0.187	39%	0.391	C	S	.	.			trans	-61.5	131.2	176.3	178.8	162.4	56.4	0	0	111.6	I113 F122 E123 W129 L133 L154	I113-M125 HydrophobicContact CG2-CB 4.47Å; F122-M125 HydrophobicContact CB-CB 4.05Å; F122-M125 HydrophobicContact CB-CE 4.18Å; F122-M125 HydrophobicContact CB-SD 4.3Å; F122-M125 HydrophobicContact CD2-CE 4.33Å; F122-M125 HydrophobicContact CD2-SD 4.23Å; E123-M125 PolarHBondContact O-N 2.95Å; E123-M125 VanDerWaalsContact O-N 3.16Å; M125-W129 HydrophobicContact CG-CB 3.74Å; M125-W129 HydrophobicContact SD-CB 4.09Å; M125-L133 HydrophobicContact CE-CD1 4.22Å; M125-L133 HydrophobicContact SD-CD1 3.96Å; M125-L154 HydrophobicContact SD-CD1 4.21Å
126	P	82.9	Confident	82.7	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.123	38%	0.377	C	S	.	.			trans	-56.2	142.2	175	-26.5	33.7	0	0	0	112.8	V111 I113 E128 W129 S130	V111-P126 HydrophobicContact CG1-CG 3.91Å; I113-P126 HydrophobicContact CD1-CG 4.41Å; P126-E128 WeakPolarHBondContact CB-OE2 3.47Å; P126-E128 PolarHBondContact O-N 3.43Å; P126-W129 HydrophobicContact CB-CB 4.27Å; P126-W129 HydrophobicContact CB-CG 4.1Å; P126-W129 HydrophobicContact CG-CD2 4.1Å; P126-W129 HydrophobicContact CG-CG 4.08Å; P126-W129 WeakPolarHBondContact O-CB 3.36Å; P126-W129 PolarHBondContact O-N 2.67Å; P126-S130 PolarHBondContact O-N 3.13Å
127	P	83.8	Confident	83.1	Confident	103 Å²	103	65.7 Å²	65.7	67%	0.669	39%	0.391	S	S	*	.	H	α-helix	trans	-54.3	-36.1	176.3	-26.8	35.5	0	0	0	113.4	W129 S130 H131	P127-W129 VanDerWaalsContact C-N 3.33Å; P127-W129 PolarHBondContact O-N 2.76Å; P127-S130 PolarHBondContact O-N 3.1Å; P127-H131 WeakPolarHBondContact O-CB 3.35Å; P127-H131 PolarHBondContact O-N 3.21Å
128	E	85.4	Confident	83.6	Confident	127 Å²	127	59.9 Å²	59.9	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-36.8	177.4	-50.8	87.8	160.8	0	0	111.7	P126 M132	P126-E128 WeakPolarHBondContact CB-OE2 3.47Å; P126-E128 PolarHBondContact O-N 3.43Å; E128-M132 WeakPolarHBondContact O-CG 3.32Å; E128-M132 PolarHBondContact O-N 2.95Å
129	W	86.3	Confident	84.2	Confident	34 Å²	34	57 Å²	57	13%	0.129	34%	0.336	C	S	.	.	H	α-helix	trans	-73.7	-42.9	177.9	-73.3	21.5	0	0	0	110.9	I113 M125 P126 P127 H131 M132 L133 L154 N155 S158	I113-W129 HydrophobicContact CD1-CD2 4.44Å; I113-W129 HydrophobicContact CD1-CE3 3.45Å; I113-W129 VanDerWaalsContact CD1-CE3 3.45Å; I113-W129 HydrophobicContact CD1-CH2 4.02Å; I113-W129 HydrophobicContact CD1-CZ3 3.22Å; M125-W129 HydrophobicContact CG-CB 3.74Å; M125-W129 HydrophobicContact SD-CB 4.09Å; P126-W129 HydrophobicContact CB-CB 4.27Å; P126-W129 HydrophobicContact CB-CG 4.1Å; P126-W129 HydrophobicContact CG-CD2 4.1Å; P126-W129 HydrophobicContact CG-CG 4.08Å; P126-W129 WeakPolarHBondContact O-CB 3.36Å; P126-W129 PolarHBondContact O-N 2.67Å; P127-W129 VanDerWaalsContact C-N 3.33Å; P127-W129 PolarHBondContact O-N 2.76Å; W129-H131 VanDerWaalsContact C-N 3.29Å; W129-H131 PolarHBondContact O-N 3.17Å; W129-M132 HydrophobicContact CG-CE 4.31Å; W129-M132 PolarHBondContact O-N 3.17Å; W129-L133 WeakPolarHBondContact O-CG 3.38Å; W129-L133 PolarHBondContact O-N 3.01Å; W129-L154 HydrophobicContact CB-CD1 4.21Å; W129-L154 HydrophobicContact CB-CD2 4.06Å; W129-L154 HydrophobicContact CD2-CB 3.91Å; W129-L154 HydrophobicContact CD2-CD1 4.26Å; W129-L154 HydrophobicContact CD2-CD2 4.49Å; W129-L154 HydrophobicContact CD2-CG 4.47Å; W129-L154 HydrophobicContact CE3-CB 3.67Å; W129-L154 HydrophobicContact CE3-CD1 3.73Å; W129-L154 HydrophobicContact CE3-CG 4.25Å; W129-L154 HydrophobicContact CG-CB 4.5Å; W129-L154 HydrophobicContact CG-CD1 4.49Å; W129-L154 HydrophobicContact CG-CD2 4.22Å; W129-L154 HydrophobicContact CH2-CB 4.41Å; W129-L154 HydrophobicContact CZ3-CB 3.91Å; W129-L154 HydrophobicContact CZ3-CD1 4.47Å; W129-N155 HydrophobicContact CH2-CB 4.35Å; W129-N155 WeakPolarHBondContact CH2-ND2 3.28Å; W129-S158 PolarHBondContact NE1-OG 3.26Å
130	S	85.1	Confident	84.5	Confident	53 Å²	53	59.3 Å²	59.3	37%	0.371	34%	0.34	S	S	.	.	H	α-helix	trans	-58.1	-43.2	173	-168	0	0	0	0	111.6	P126 P127 L133 T134	P126-S130 PolarHBondContact O-N 3.13Å; P127-S130 PolarHBondContact O-N 3.1Å; S130-L133 PolarHBondContact O-N 3.37Å; S130-T134 PolarHBondContact O-N 3.48Å; S130-T134 PolarHBondContact O-OG1 2.68Å
131	H	86.1	Confident	85.2	Confident	123 Å²	123	65.2 Å²	65.2	57%	0.569	36%	0.356	S	S	*	.	H	α-helix	trans	-64.5	-44.4	174.8	-173	64.5	0	0	0	112.3	P127 W129 L133 T134 V135	P127-H131 WeakPolarHBondContact O-CB 3.35Å; P127-H131 PolarHBondContact O-N 3.21Å; W129-H131 VanDerWaalsContact C-N 3.29Å; W129-H131 PolarHBondContact O-N 3.17Å; H131-L133 PolarHBondContact O-N 3.17Å; H131-T134 WeakPolarHBondContact O-CB 3.46Å; H131-T134 PolarHBondContact O-N 2.86Å; H131-T134 VanDerWaalsContact O-N 3.17Å; H131-V135 WeakPolarHBondContact O-CG2 3.3Å; H131-V135 PolarHBondContact O-N 2.66Å
132	M	85.5	Confident	85.8	Confident	47 Å²	47	63.7 Å²	63.7	23%	0.232	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-42.5	174.9	-79.3	-163.7	-62.5	0	0	112.9	E128 W129 T134 A136 L154	E128-M132 WeakPolarHBondContact O-CG 3.32Å; E128-M132 PolarHBondContact O-N 2.95Å; W129-M132 HydrophobicContact CG-CE 4.31Å; W129-M132 PolarHBondContact O-N 3.17Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-A136 WeakPolarHBondContact O-CB 3.27Å; M132-A136 PolarHBondContact O-N 2.85Å; M132-L154 HydrophobicContact CB-CD2 4.29Å; M132-L154 HydrophobicContact CE-CD2 3.78Å
133	L	88.5	Confident	86.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-64.5	-39.2	176	-64.3	-173.6	0	0	0	112.2	M125 W129 S130 H131 A136 G137 I138 Q143 V150 L154 V1055	M125-L133 HydrophobicContact CE-CD1 4.22Å; M125-L133 HydrophobicContact SD-CD1 3.96Å; W129-L133 WeakPolarHBondContact O-CG 3.38Å; W129-L133 PolarHBondContact O-N 3.01Å; S130-L133 PolarHBondContact O-N 3.37Å; H131-L133 PolarHBondContact O-N 3.17Å; L133-A136 CarbonylContact O-C 3.4Å; L133-A136 PolarHBondContact O-N 3.32Å; L133-G137 PolarHBondContact O-N 2.62Å; L133-G137 VanDerWaalsContact O-N 3.15Å; L133-I138 HydrophobicContact CD2-CB 4.46Å; L133-I138 HydrophobicContact CD2-CD1 4.04Å; L133-I138 PolarHBondContact O-N 2.81Å; L133-Q143 VanDerWaalsContact CD1-CD 3.49Å; L133-Q143 HydrophobicContact CD1-CG 3.99Å; L133-V150 HydrophobicContact CD1-CG1 3.72Å; L133-V150 HydrophobicContact CD2-CG1 3.62Å; L133-V150 HydrophobicContact CG-CG1 4.32Å; L133-L154 HydrophobicContact CD1-CD1 4.08Å; L133-L154 HydrophobicContact CD2-CD1 4.02Å; L133-L154 HydrophobicContact CD2-CD2 3.75Å; L133-L154 HydrophobicContact CD2-CG 3.97Å; L133-L154 HydrophobicContact CG-CD1 4.12Å; L133-L154 HydrophobicContact CG-CD2 4.06Å; L133-L154 HydrophobicContact CG-CG 4.47Å; L133-V1055 HydrophobicContact CD2-CG1 4.34Å
134	T	87.4	Confident	86.3	Confident	100 Å²	100	61.8 Å²	61.8	61%	0.613	34%	0.34	S	S	*	.	H	α-helix	trans	-64.9	-47.4	178.2	-54.8	0	0	0	0	111.3	S130 H131 M132 A136 G137	S130-T134 PolarHBondContact O-N 3.48Å; S130-T134 PolarHBondContact O-OG1 2.68Å; H131-T134 WeakPolarHBondContact O-CB 3.46Å; H131-T134 PolarHBondContact O-N 2.86Å; H131-T134 VanDerWaalsContact O-N 3.17Å; M132-T134 VanDerWaalsContact C-N 3.33Å; T134-A136 PolarHBondContact O-N 2.98Å; T134-G137 PolarHBondContact O-N 3.4Å
135	V	88.4	Confident	86.8	Confident	85 Å²	85	64.3 Å²	64.3	52%	0.515	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-25.2	176.4	173.8	0	0	0	0	112.1	H131 G137	H131-V135 WeakPolarHBondContact O-CG2 3.3Å; H131-V135 PolarHBondContact O-N 2.66Å; V135-G137 VanDerWaalsContact C-N 3.3Å
136	A	87.8	Confident	87.2	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.033	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	171.5	0	0	0	0	0	114	M132 L133 T134 I138 V1055 R1056	M132-A136 WeakPolarHBondContact O-CB 3.27Å; M132-A136 PolarHBondContact O-N 2.85Å; L133-A136 CarbonylContact O-C 3.4Å; L133-A136 PolarHBondContact O-N 3.32Å; T134-A136 PolarHBondContact O-N 2.98Å; A136-I138 HydrophobicContact CB-CD1 4.02Å; A136-I138 HydrophobicContact CB-CG1 3.89Å; A136-I138 PolarHBondContact O-N 2.93Å; A136-I138 VanDerWaalsContact O-N 3.14Å; A136-V1055 HydrophobicContact CB-CB 3.55Å; A136-V1055 HydrophobicContact CB-CG1 3.67Å; A136-V1055 HydrophobicContact CB-CG2 4.23Å; A136-R1056 HydrophobicContact CB-CB 4.33Å; A136-R1056 VanDerWaalsContact O-CD 3.3Å; A136-R1056 WeakPolarHBondContact O-CD 3.38Å; A136-R1056 PolarHBondContact O-NH1 2.92Å
137	G	89.2	Confident	87.4	Confident	44 Å²	44	65.8 Å²	65.8	45%	0.454	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	19.4	-176.3	0	0	0	0	0	114.5	L133 T134 V135 T139 R1056	L133-G137 PolarHBondContact O-N 2.62Å; L133-G137 VanDerWaalsContact O-N 3.15Å; T134-G137 PolarHBondContact O-N 3.4Å; V135-G137 VanDerWaalsContact C-N 3.3Å; G137-T139 PolarHBondContact O-N 2.79Å; G137-T139 VanDerWaalsContact O-N 3.17Å; G137-R1056 PolarHBondContact O-NH1 3.37Å
138	I	88.3	Confident	87.6	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	34%	0.343	C	S	.	.			trans	-80.1	100.7	-179	-58	177.4	0	0	0	107.9	L133 A136 E142 Q143 V150 V1055 Y1059	L133-I138 HydrophobicContact CD2-CB 4.46Å; L133-I138 HydrophobicContact CD2-CD1 4.04Å; L133-I138 PolarHBondContact O-N 2.81Å; A136-I138 HydrophobicContact CB-CD1 4.02Å; A136-I138 HydrophobicContact CB-CG1 3.89Å; A136-I138 PolarHBondContact O-N 2.93Å; A136-I138 VanDerWaalsContact O-N 3.14Å; I138-E142 HydrophobicContact CG2-CB 3.8Å; I138-Q143 HydrophobicContact CG2-CG 3.99Å; I138-Q143 PolarHBondContact O-NE2 2.91Å; I138-V150 HydrophobicContact CG2-CG2 4.4Å; I138-V1055 HydrophobicContact CD1-CG1 3.85Å; I138-Y1059 HydrophobicContact CD1-CD2 4.5Å; I138-Y1059 HydrophobicContact CD1-CG 4.17Å
139	T	90.4	Very high	87.7	Confident	72 Å²	72	59.9 Å²	59.9	44%	0.442	32%	0.319	S	S	.	.			trans	-59.9	156.4	-176.8	60.9	0	0	0	0	112.5	G137 W141 E142 Q143	G137-T139 PolarHBondContact O-N 2.79Å; G137-T139 VanDerWaalsContact O-N 3.17Å; T139-W141 PolarHBondContact O-N 3.08Å; T139-E142 VanDerWaalsContact CB-OE2 3.32Å; T139-E142 WeakPolarHBondContact CB-OE2 3.43Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.39Å; T139-E142 PolarHBondContact N-OE2 2.89Å; T139-E142 PolarHBondContact O-N 2.95Å; T139-E142 VanDerWaalsContact O-N 3.1Å; T139-E142 WeakPolarHBondContact OG1-CB 3.34Å; T139-E142 WeakPolarHBondContact OG1-CG 3.47Å; T139-E142 PolarHBondContact OG1-N 3.5Å; T139-E142 VanDerWaalsContact OG1-N 3.13Å; T139-E142 PolarHBondContact OG1-OE2 2.97Å; T139-Q143 WeakPolarHBondContact O-CG 3.43Å; T139-Q143 PolarHBondContact O-N 2.86Å
140	K	86.3	Confident	87.8	Confident	119 Å²	119	58.3 Å²	58.3	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-53.8	-34.6	172.7	-78.8	-173.2	152.6	-155.8	0	112.6	E121 Q143 Q144	E121-K140 WeakPolarHBondContact OE1-CD 3.4Å; E121-K140 WeakPolarHBondContact OE1-CE 3.41Å; E121-K140 IonicContact OE1-NZ 3.94Å; E121-K140 PolarHBondContact OE1-NZ 2.79Å; E121-K140 WeakPolarHBondContact OE2-CE 3.23Å; E121-K140 IonicContact OE2-NZ 3.43Å; E121-K140 PolarHBondContact OE2-NZ 2.76Å; K140-Q143 WeakPolarHBondContact O-CB 3.5Å; K140-Q143 PolarHBondContact O-N 2.82Å; K140-Q144 WeakPolarHBondContact O-CG 3.45Å; K140-Q144 PolarHBondContact O-N 3.4Å; K140-Q144 PolarHBondContact O-OE1 3.06Å
141	W	88.3	Confident	87.8	Confident	146 Å²	146	57.6 Å²	57.6	55%	0.553	30%	0.304	S	S	*	.	H	α-helix	trans	-66.2	-49.4	174.5	-178.6	-104	0	0	0	112.5	T139 Q143 Q144 Q145	T139-W141 PolarHBondContact O-N 3.08Å; W141-Q143 PolarHBondContact O-N 3.21Å; W141-Q144 PolarHBondContact O-N 3.3Å; W141-Q145 HydrophobicContact CD2-CG 4.23Å; W141-Q145 HydrophobicContact CG-CG 4.45Å; W141-Q145 HydrophobicContact CZ2-CG 4.19Å; W141-Q145 VanDerWaalsContact CZ2-NE2 3.27Å; W141-Q145 VanDerWaalsContact O-CG 3.3Å; W141-Q145 WeakPolarHBondContact O-CG 3.39Å; W141-Q145 PolarHBondContact O-N 2.87Å
142	E	90.2	Very high	87.8	Confident	35 Å²	35	53 Å²	53	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-32.4	173.7	-79	161.2	125.4	0	0	112.2	I138 T139 N146 R1056 Y1059	I138-E142 HydrophobicContact CG2-CB 3.8Å; T139-E142 VanDerWaalsContact CB-OE2 3.32Å; T139-E142 WeakPolarHBondContact CB-OE2 3.43Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.39Å; T139-E142 PolarHBondContact N-OE2 2.89Å; T139-E142 PolarHBondContact O-N 2.95Å; T139-E142 VanDerWaalsContact O-N 3.1Å; T139-E142 WeakPolarHBondContact OG1-CB 3.34Å; T139-E142 WeakPolarHBondContact OG1-CG 3.47Å; T139-E142 PolarHBondContact OG1-N 3.5Å; T139-E142 VanDerWaalsContact OG1-N 3.13Å; T139-E142 PolarHBondContact OG1-OE2 2.97Å; E142-N146 PolarHBondContact O-N 3.45Å; E142-R1056 IonicContact OE1-CZ 3.75Å; E142-R1056 IonicContact OE1-NH1 2.89Å; E142-R1056 PolarHBondContact OE1-NH1 2.85Å; E142-R1056 IonicContact OE1-NH2 2.95Å; E142-R1056 PolarHBondContact OE1-NH2 2.89Å; E142-R1056 IonicContact OE2-NH1 3.59Å; E142-Y1059 WeakPolarHBondContact CA-OH 3.35Å; E142-Y1059 HydrophobicContact CB-CE1 4.21Å; E142-Y1059 WeakPolarHBondContact CB-OH 3.36Å; E142-Y1059 HydrophobicContact CG-CE1 4.22Å; E142-Y1059 PolarHBondContact O-OH 2.84Å
143	Q	88	Confident	87.7	Confident	25 Å²	25	50.8 Å²	50.8	12%	0.117	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-50.3	173.9	-62.9	168.8	44.4	0	0	112.4	F122 L133 I138 T139 K140 W141 Q145 N146 P147 V150	F122-Q143 HydrophobicContact CE2-CB 3.99Å; F122-Q143 HydrophobicContact CE2-CG 4.32Å; L133-Q143 VanDerWaalsContact CD1-CD 3.49Å; L133-Q143 HydrophobicContact CD1-CG 3.99Å; I138-Q143 HydrophobicContact CG2-CG 3.99Å; I138-Q143 PolarHBondContact O-NE2 2.91Å; T139-Q143 WeakPolarHBondContact O-CG 3.43Å; T139-Q143 PolarHBondContact O-N 2.86Å; K140-Q143 WeakPolarHBondContact O-CB 3.5Å; K140-Q143 PolarHBondContact O-N 2.82Å; W141-Q143 PolarHBondContact O-N 3.21Å; Q143-Q145 VanDerWaalsContact C-N 3.32Å; Q143-Q145 PolarHBondContact O-N 2.76Å; Q143-N146 CarbonylContact O-C 3.53Å; Q143-N146 PolarHBondContact O-N 2.81Å; Q143-P147 VanDerWaalsContact O-CA 3.22Å; Q143-P147 WeakPolarHBondContact O-CA 3.5Å; Q143-P147 WeakPolarHBondContact O-CB 3.47Å; Q143-P147 WeakPolarHBondContact O-CD 3.49Å; Q143-P147 VanDerWaalsContact O-N 3.08Å; Q143-V150 HydrophobicContact CG-CG1 4.42Å; Q143-V150 HydrophobicContact CG-CG2 4.37Å
144	Q	86.3	Confident	87.5	Confident	65 Å²	65	50.7 Å²	50.7	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-35.1	178.4	-74.1	164.5	-29.6	0	0	113	T119 K140 W141 P147	T119-Q144 PolarHBondContact O-NE2 2.9Å; K140-Q144 WeakPolarHBondContact O-CG 3.45Å; K140-Q144 PolarHBondContact O-N 3.4Å; K140-Q144 PolarHBondContact O-OE1 3.06Å; W141-Q144 PolarHBondContact O-N 3.3Å; Q144-P147 WeakPolarHBondContact O-CD 3.47Å
145	Q	89.1	Confident	87	Confident	104 Å²	104	48.8 Å²	48.8	49%	0.486	26%	0.259	S	S	.	.	H	α-helix	trans	-72.5	-34	179.6	-68.3	-61.5	-55.9	0	0	113.2	W141 Q143	W141-Q145 HydrophobicContact CD2-CG 4.23Å; W141-Q145 HydrophobicContact CG-CG 4.45Å; W141-Q145 HydrophobicContact CZ2-CG 4.19Å; W141-Q145 VanDerWaalsContact CZ2-NE2 3.27Å; W141-Q145 VanDerWaalsContact O-CG 3.3Å; W141-Q145 WeakPolarHBondContact O-CG 3.39Å; W141-Q145 PolarHBondContact O-N 2.87Å; Q143-Q145 VanDerWaalsContact C-N 3.32Å; Q143-Q145 PolarHBondContact O-N 2.76Å
146	N	87.9	Confident	86.3	Confident	61 Å²	61	45 Å²	45	33%	0.326	24%	0.235	S	C	.	.	S	Bend	trans	-137	54	-175.1	-77.5	-74.5	0	0	0	113.3	E142 Q143 T148 V149 V150 Y1059 T1063	E142-N146 PolarHBondContact O-N 3.45Å; Q143-N146 CarbonylContact O-C 3.53Å; Q143-N146 PolarHBondContact O-N 2.81Å; N146-T148 VanDerWaalsContact C-N 3.32Å; N146-T148 PolarHBondContact O-N 2.75Å; N146-V149 HydrophobicContact CB-CB 4.13Å; N146-V149 HydrophobicContact CB-CG2 4.07Å; N146-V149 WeakPolarHBondContact O-CB 3.47Å; N146-V149 PolarHBondContact O-N 3.31Å; N146-V150 PolarHBondContact O-N 2.96Å; N146-Y1059 HydrophobicContact CB-CE2 3.97Å; N146-T1063 HydrophobicContact CB-CG2 3.91Å
147	P	87.3	Confident	85.6	Confident	26 Å²	26	45.8 Å²	45.8	17%	0.169	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-33.6	-167.4	25.6	-34.7	0	0	0	112.5	I115 F122 Q143 Q144 V149 V150 L151	I115-P147 HydrophobicContact CD1-CB 3.77Å; I115-P147 HydrophobicContact CD1-CG 4Å; I115-P147 HydrophobicContact CG1-CB 4.25Å; F122-P147 HydrophobicContact CE1-CB 3.85Å; F122-P147 HydrophobicContact CZ-CB 3.68Å; Q143-P147 VanDerWaalsContact O-CA 3.22Å; Q143-P147 WeakPolarHBondContact O-CA 3.5Å; Q143-P147 WeakPolarHBondContact O-CB 3.47Å; Q143-P147 WeakPolarHBondContact O-CD 3.49Å; Q143-P147 VanDerWaalsContact O-N 3.08Å; Q144-P147 WeakPolarHBondContact O-CD 3.47Å; P147-V149 VanDerWaalsContact C-N 3.32Å; P147-V149 PolarHBondContact O-N 3.43Å; P147-V150 PolarHBondContact O-N 3.39Å; P147-L151 WeakPolarHBondContact O-CB 3.32Å; P147-L151 WeakPolarHBondContact O-CG 3.43Å; P147-L151 PolarHBondContact O-N 2.7Å
148	T	87.8	Confident	84.5	Confident	93 Å²	93	45.7 Å²	45.7	57%	0.571	23%	0.231	S	C	*	.	H	α-helix	trans	-65.2	-33.9	173.7	-46.4	0	0	0	0	112.3	N146 N152	N146-T148 VanDerWaalsContact C-N 3.32Å; N146-T148 PolarHBondContact O-N 2.75Å; T148-N152 VanDerWaalsContact O-CB 3.29Å; T148-N152 WeakPolarHBondContact O-CB 3.17Å; T148-N152 PolarHBondContact O-N 2.91Å; T148-N152 PolarHBondContact O-ND2 3.26Å
149	V	87.9	Confident	83.1	Confident	14 Å²	14	51.4 Å²	51.4	9%	0.085	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-46.7	175.4	-175.3	0	0	0	0	109.6	N146 P147 L151 N152 V153 Y1059 T1063	N146-V149 HydrophobicContact CB-CB 4.13Å; N146-V149 HydrophobicContact CB-CG2 4.07Å; N146-V149 WeakPolarHBondContact O-CB 3.47Å; N146-V149 PolarHBondContact O-N 3.31Å; P147-V149 VanDerWaalsContact C-N 3.32Å; P147-V149 PolarHBondContact O-N 3.43Å; V149-L151 PolarHBondContact O-N 3.24Å; V149-N152 WeakPolarHBondContact O-CB 3.41Å; V149-N152 PolarHBondContact O-N 2.87Å; V149-N152 VanDerWaalsContact O-N 3.15Å; V149-V153 HydrophobicContact CG1-CG2 4.34Å; V149-V153 WeakPolarHBondContact O-CG2 3.42Å; V149-V153 PolarHBondContact O-N 3.25Å; V149-Y1059 HydrophobicContact CG1-CD2 4.24Å; V149-T1063 HydrophobicContact CG1-CG2 4.32Å; V149-T1063 HydrophobicContact CG2-CG2 4.48Å
150	V	88.3	Confident	81.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-49	177.5	177.5	0	0	0	0	111.9	F122 L133 I138 Q143 N146 P147 N152 V153 L154 Y1059	F122-V150 HydrophobicContact CE2-CB 4.14Å; F122-V150 HydrophobicContact CE2-CG1 3.76Å; F122-V150 HydrophobicContact CZ-CB 4.11Å; F122-V150 HydrophobicContact CZ-CG1 4.15Å; L133-V150 HydrophobicContact CD1-CG1 3.72Å; L133-V150 HydrophobicContact CD2-CG1 3.62Å; L133-V150 HydrophobicContact CG-CG1 4.32Å; I138-V150 HydrophobicContact CG2-CG2 4.4Å; Q143-V150 HydrophobicContact CG-CG1 4.42Å; Q143-V150 HydrophobicContact CG-CG2 4.37Å; N146-V150 PolarHBondContact O-N 2.96Å; P147-V150 PolarHBondContact O-N 3.39Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 3.42Å; V150-V153 PolarHBondContact O-N 3.12Å; V150-L154 HydrophobicContact CG1-CD1 3.9Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.48Å; V150-Y1059 HydrophobicContact CG2-CD2 3.65Å; V150-Y1059 HydrophobicContact CG2-CE2 3.56Å
151	L	85.1	Confident	79.1	Confident	37 Å²	37	55.2 Å²	55.2	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-40.5	175	-74.7	174.1	0	0	0	111.8	I113 I115 F122 P147 V149 N155	I113-L151 HydrophobicContact CG2-CD2 4Å; I115-L151 HydrophobicContact CD1-CD1 4.29Å; I115-L151 HydrophobicContact CG1-CD1 4.45Å; F122-L151 HydrophobicContact CD1-CD1 4.49Å; F122-L151 HydrophobicContact CD1-CD2 4.07Å; F122-L151 HydrophobicContact CD1-CG 4.28Å; F122-L151 HydrophobicContact CE1-CD1 3.75Å; F122-L151 HydrophobicContact CE1-CD2 3.74Å; F122-L151 HydrophobicContact CE1-CG 3.48Å; F122-L151 VanDerWaalsContact CE1-CG 3.48Å; F122-L151 HydrophobicContact CZ-CD2 4.26Å; F122-L151 HydrophobicContact CZ-CG 3.87Å; P147-L151 WeakPolarHBondContact O-CB 3.32Å; P147-L151 WeakPolarHBondContact O-CG 3.43Å; P147-L151 PolarHBondContact O-N 2.7Å; V149-L151 PolarHBondContact O-N 3.24Å; L151-N155 VanDerWaalsContact O-CB 3.27Å; L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 2.82Å; L151-N155 PolarHBondContact O-ND2 2.71Å
152	N	84.9	Confident	76.8	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-53.6	174.7	-81.7	-32.8	0	0	0	110.9	T148 V149 V150 L154 N155 L156 V1021 R1023	T148-N152 VanDerWaalsContact O-CB 3.29Å; T148-N152 WeakPolarHBondContact O-CB 3.17Å; T148-N152 PolarHBondContact O-N 2.91Å; T148-N152 PolarHBondContact O-ND2 3.26Å; V149-N152 WeakPolarHBondContact O-CB 3.41Å; V149-N152 PolarHBondContact O-N 2.87Å; V149-N152 VanDerWaalsContact O-N 3.15Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 3.42Å; N152-L154 PolarHBondContact O-N 3.08Å; N152-N155 PolarHBondContact O-N 2.79Å; N152-L156 HydrophobicContact CB-CD1 4.46Å; N152-L156 WeakPolarHBondContact O-CB 3.44Å; N152-L156 WeakPolarHBondContact O-CD1 3.39Å; N152-L156 WeakPolarHBondContact O-CG 3.46Å; N152-L156 PolarHBondContact O-N 2.89Å; N152-V1021 WeakPolarHBondContact CB-O 3.36Å; N152-R1023 HydrophobicContact CB-CG 4.36Å; N152-R1023 WeakPolarHBondContact OD1-CD 3.41Å; N152-R1023 WeakPolarHBondContact OD1-CG 3.17Å
153	V	84.5	Confident	74.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-46.5	-179.6	171.7	0	0	0	0	112.2	V149 V150 L156 L157 V1021 V1055 L1058	V149-V153 HydrophobicContact CG1-CG2 4.34Å; V149-V153 WeakPolarHBondContact O-CG2 3.42Å; V149-V153 PolarHBondContact O-N 3.25Å; V150-V153 PolarHBondContact O-N 3.12Å; V153-L156 WeakPolarHBondContact O-CB 3.43Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-L157 HydrophobicContact CG1-CD1 4.33Å; V153-L157 PolarHBondContact O-N 3.12Å; V153-V1021 HydrophobicContact CG2-CG1 3.86Å; V153-V1055 HydrophobicContact CG1-CG1 3.87Å; V153-V1055 WeakPolarHBondContact CG1-O 3.48Å; V153-L1058 HydrophobicContact CG1-CB 3.95Å; V153-L1058 HydrophobicContact CG1-CD1 4.5Å; V153-L1058 HydrophobicContact CG2-CB 3.91Å
154	L	84.2	Confident	71.6	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-53	177.2	-71.4	170.4	0	0	0	111.8	M125 W129 M132 L133 V150 N152 L156 L157 S158	M125-L154 HydrophobicContact SD-CD1 4.21Å; W129-L154 HydrophobicContact CB-CD1 4.21Å; W129-L154 HydrophobicContact CB-CD2 4.06Å; W129-L154 HydrophobicContact CD2-CB 3.91Å; W129-L154 HydrophobicContact CD2-CD1 4.26Å; W129-L154 HydrophobicContact CD2-CD2 4.49Å; W129-L154 HydrophobicContact CD2-CG 4.47Å; W129-L154 HydrophobicContact CE3-CB 3.67Å; W129-L154 HydrophobicContact CE3-CD1 3.73Å; W129-L154 HydrophobicContact CE3-CG 4.25Å; W129-L154 HydrophobicContact CG-CB 4.5Å; W129-L154 HydrophobicContact CG-CD1 4.49Å; W129-L154 HydrophobicContact CG-CD2 4.22Å; W129-L154 HydrophobicContact CH2-CB 4.41Å; W129-L154 HydrophobicContact CZ3-CB 3.91Å; W129-L154 HydrophobicContact CZ3-CD1 4.47Å; M132-L154 HydrophobicContact CB-CD2 4.29Å; M132-L154 HydrophobicContact CE-CD2 3.78Å; L133-L154 HydrophobicContact CD1-CD1 4.08Å; L133-L154 HydrophobicContact CD2-CD1 4.02Å; L133-L154 HydrophobicContact CD2-CD2 3.75Å; L133-L154 HydrophobicContact CD2-CG 3.97Å; L133-L154 HydrophobicContact CG-CD1 4.12Å; L133-L154 HydrophobicContact CG-CD2 4.06Å; L133-L154 HydrophobicContact CG-CG 4.47Å; V150-L154 HydrophobicContact CG1-CD1 3.9Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.48Å; N152-L154 PolarHBondContact O-N 3.08Å; L154-L156 PolarHBondContact O-N 3.02Å; L154-L156 VanDerWaalsContact O-N 3.09Å; L154-L157 PolarHBondContact O-N 3.43Å; L154-S158 PolarHBondContact O-N 3.18Å; L154-S158 PolarHBondContact O-OG 3.32Å; L154-S158 VanDerWaalsContact O-OG 3.04Å
155	N	77.3	Confident	68.9	Low	60 Å²	60	65.7 Å²	65.7	32%	0.321	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-21.9	176.2	-84.4	-92.5	0	0	0	112.9	W129 L151 N152 R159 R1023	W129-N155 HydrophobicContact CH2-CB 4.35Å; W129-N155 WeakPolarHBondContact CH2-ND2 3.28Å; L151-N155 VanDerWaalsContact O-CB 3.27Å; L151-N155 WeakPolarHBondContact O-CB 3.49Å; L151-N155 PolarHBondContact O-N 2.82Å; L151-N155 PolarHBondContact O-ND2 2.71Å; N152-N155 PolarHBondContact O-N 2.79Å; N155-R159 WeakPolarHBondContact O-CD 3.43Å; N155-R159 WeakPolarHBondContact O-CG 3.42Å; N155-R1023 VanDerWaalsContact CB-CZ 3.43Å; N155-R1023 VanDerWaalsContact CB-NH2 3.26Å; N155-R1023 PolarHBondContact O-NH2 3.31Å
156	L	74	Confident	66.2	Low	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-80.1	-49.4	-178.5	-84.4	171	0	0	0	110.4	N152 V153 L154 R159 M1009 V1021 R1023	N152-L156 HydrophobicContact CB-CD1 4.46Å; N152-L156 WeakPolarHBondContact O-CB 3.44Å; N152-L156 WeakPolarHBondContact O-CD1 3.39Å; N152-L156 WeakPolarHBondContact O-CG 3.46Å; N152-L156 PolarHBondContact O-N 2.89Å; V153-L156 WeakPolarHBondContact O-CB 3.43Å; V153-L156 PolarHBondContact O-N 3.49Å; L154-L156 PolarHBondContact O-N 3.02Å; L154-L156 VanDerWaalsContact O-N 3.09Å; L156-R159 PolarHBondContact O-N 3.15Å; L156-M1009 HydrophobicContact CB-CE 3.79Å; L156-M1009 HydrophobicContact CB-SD 3.55Å; L156-M1009 VanDerWaalsContact CB-SD 3.55Å; L156-M1009 HydrophobicContact CD1-CE 3.96Å; L156-M1009 HydrophobicContact CD2-CB 3.53Å; L156-M1009 HydrophobicContact CD2-CE 3.89Å; L156-M1009 HydrophobicContact CD2-CG 4.07Å; L156-M1009 HydrophobicContact CD2-SD 3.64Å; L156-M1009 HydrophobicContact CG-CE 4.08Å; L156-M1009 HydrophobicContact CG-SD 4.09Å; L156-V1021 HydrophobicContact CD1-CG1 4.25Å; L156-V1021 WeakPolarHBondContact CD1-O 3.2Å; L156-R1023 HydrophobicContact CD2-CG 4.39Å; L156-R1023 VanDerWaalsContact N-NH2 3.19Å
157	L	72.1	Confident	63.3	Low	21 Å²	21	75.3 Å²	75.3	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176	-70	171.5	0	0	0	112.1	V153 L154 R159 K160 V1055 L1058	V153-L157 HydrophobicContact CG1-CD1 4.33Å; V153-L157 PolarHBondContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.43Å; L157-R159 PolarHBondContact O-N 3.24Å; L157-K160 WeakPolarHBondContact O-CB 3.2Å; L157-K160 PolarHBondContact O-N 3.01Å; L157-V1055 HydrophobicContact CD1-CB 3.94Å; L157-V1055 HydrophobicContact CD1-CG1 4.33Å; L157-V1055 HydrophobicContact CD1-CG2 3.38Å; L157-L1058 HydrophobicContact CD1-CD1 4.3Å; L157-L1058 HydrophobicContact CD2-CD1 3.89Å; L157-L1058 HydrophobicContact CG-CD1 4.02Å
158	S	67.4	Low	60.5	Low	42 Å²	42	83 Å²	83	29%	0.294	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.4	177.3	-56.3	0	0	0	0	115.2	W129 L154 K160	W129-S158 PolarHBondContact NE1-OG 3.26Å; L154-S158 PolarHBondContact O-N 3.18Å; L154-S158 PolarHBondContact O-OG 3.32Å; L154-S158 VanDerWaalsContact O-OG 3.04Å; S158-K160 VanDerWaalsContact C-N 3.35Å
159	R	58.3	Low	57.7	Low	126 Å²	126	85 Å²	85	48%	0.475	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5	171.8	-73.1	171.7	168.9	-173.6	-4	113.7	N155 L156 L157	N155-R159 WeakPolarHBondContact O-CD 3.43Å; N155-R159 WeakPolarHBondContact O-CG 3.42Å; L156-R159 PolarHBondContact O-N 3.15Å; L157-R159 PolarHBondContact O-N 3.24Å
160	K	51	Low	54.9	Low	161 Å²	161	89.5 Å²	89.5	70%	0.7	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-30.6	177.4	-156	175.2	-177.8	-177.4	0	111.4	L157 S158	L157-K160 WeakPolarHBondContact O-CB 3.2Å; L157-K160 PolarHBondContact O-N 3.01Å; S158-K160 VanDerWaalsContact C-N 3.35Å
161	D	42	Very low	52.1	Low	111 Å²	111	97.4 Å²	97.4	59%	0.594	50%	0.498	S	S	*	.			trans	-99.6	17.1	-170.4	-47.1	-51.2	0	0	0	114.1	T163	D161-T163 PolarHBondContact O-N 3.17Å
162	D	38.3	Very low	49.6	Very low	106 Å²	106	103.6 Å²	103.6	57%	0.567	53%	0.53	S	S	*	.			trans	-72.2	54.5	-179.7	-147	-1.7	0	0	0	111	K166	D162-K166 IonicContact OD1-NZ 3.72Å; D162-K166 PolarHBondContact OD1-NZ 2.92Å; D162-K166 IonicContact OD2-NZ 3.33Å
163	T	36	Very low	47.1	Very low	101 Å²	101	105.3 Å²	105.3	62%	0.62	55%	0.553	S	S	*	*			trans	-64.8	137.7	167.4	63.2	0	0	0	0	108.9	D161 Q165	D161-T163 PolarHBondContact O-N 3.17Å; T163-Q165 VanDerWaalsContact C-N 3.27Å; T163-Q165 PolarHBondContact O-N 3.34Å
164	P	33.3	Very low	44.7	Very low	121 Å²	121	111 Å²	111	79%	0.786	59%	0.59	S	S	*	*			trans	-83	57.6	-161.7	33	-37.8	0	0	0	114.4	K166	P164-K166 PolarHBondContact O-N 3.29Å
165	Q	29.5	Very low	42.2	Very low	163 Å²	163	117 Å²	117	76%	0.762	63%	0.63	S	S	*	*			trans	-81.9	57.3	165.2	-71.8	-177	-17.9	0	0	111.2	T163	T163-Q165 VanDerWaalsContact C-N 3.27Å; T163-Q165 PolarHBondContact O-N 3.34Å
166	K	34.2	Very low	40	Very low	154 Å²	154	119.5 Å²	119.5	67%	0.67	65%	0.652	S	S	*	*			trans	-97.5	97.3	176.8	-78.7	178.3	179.7	148.8	0	111	D162 P164 M168	D162-K166 IonicContact OD1-NZ 3.72Å; D162-K166 PolarHBondContact OD1-NZ 2.92Å; D162-K166 IonicContact OD2-NZ 3.33Å; P164-K166 PolarHBondContact O-N 3.29Å; K166-M168 PolarHBondContact O-N 3.19Å
167	Y	26.7	Very low	38.2	Very low	213 Å²	213	123.6 Å²	123.6	84%	0.835	69%	0.686	S	S	*	*			trans	-52.4	117.3	170	-63.8	-98.4	0	0	0	111.7
168	M	27.3	Very low	36.1	Very low	187 Å²	187	130.3 Å²	130.3	92%	0.921	72%	0.721	S	S	*	*			trans	-155.1	80.5	158.6	-101.1	-173.4	71.1	0	0	108.8	K166 S170	K166-M168 PolarHBondContact O-N 3.19Å; M168-S170 PolarHBondContact O-N 2.84Å
169	T	28.5	Very low	34.3	Very low	134 Å²	134	134.7 Å²	134.7	82%	0.822	74%	0.741	S	S	*	*			trans	-68.6	117.1	168.9	3.9	0	0	0	0	109	I171	T169-I171 PolarHBondContact O-N 3.44Å
170	S	30.6	Very low	33.1	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	76%	0.756	S	S	*	*			trans	-74	104.3	178.9	53.2	0	0	0	0	111	M168 I172	M168-S170 PolarHBondContact O-N 2.84Å; S170-I172 VanDerWaalsContact C-N 3.3Å; S170-I172 PolarHBondContact O-N 3.4Å
171	I	28.8	Very low	32.2	Very low	167 Å²	167	132.5 Å²	132.5	86%	0.856	75%	0.753	S	S	*	*			trans	-74.7	82.7	174.5	-53.6	176.5	0	0	0	109.3	T169	T169-I171 PolarHBondContact O-N 3.44Å
172	I	32.4	Very low	31.8	Very low	168 Å²	168	131.5 Å²	131.5	86%	0.862	76%	0.755	S	S	*	*			trans	-137.5	95.1	163.1	-55	-178.4	0	0	0	108.3	S170	S170-I172 VanDerWaalsContact C-N 3.3Å; S170-I172 PolarHBondContact O-N 3.4Å
173	G	31.7	Very low	31.7	Very low	62 Å²	62	131.2 Å²	131.2	64%	0.639	76%	0.757	S	S	*	*			trans	-161.5	130.4	171.2	0	0	0	0	0	108.6
174	P	34.6	Very low	31.7	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	76%	0.761	S	S	*	*			trans	-75.1	147.6	-174.3	30.2	-34.7	0	0	0	112.1	S176	P174-S176 PolarHBondContact O-N 3.4Å
175	P	32	Very low	31.6	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	76%	0.756	S	S	*	*			trans	-79.6	119.6	179.9	31.2	-33.4	0	0	0	111.5
176	S	31	Very low	31.8	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	75%	0.752	S	S	*	*			trans	-161.8	127.2	171.7	-71	0	0	0	0	110.5	P174	P174-S176 PolarHBondContact O-N 3.4Å
177	A	35.8	Very low	31.7	Very low	90 Å²	90	132 Å²	132	74%	0.744	76%	0.758	S	S	*	*			trans	45.1	105.9	171.2	0	0	0	0	0	117.2
178	L	28.9	Very low	31.9	Very low	162 Å²	162	127.1 Å²	127.1	85%	0.848	76%	0.755	S	S	*	*				55.6	104.3	65.2	-52.8	174.6	0	0	0	111.6
179	D	29.2	Very low	32.1	Very low	135 Å²	135	123.2 Å²	123.2	72%	0.722	75%	0.745	S	S	*	*				93	152.7	93.7	-146.8	27.7	0	0	0	108.7
180	L	33.5	Very low	32.1	Very low	149 Å²	149	123.6 Å²	123.6	78%	0.78	74%	0.743	S	S	*	*			cis	-136.7	168.6	35.1	-89.4	86.5	0	0	0	115.6
181	S	32.1	Very low	32.2	Very low	91 Å²	91	125 Å²	125	64%	0.636	74%	0.741	S	S	*	*			trans	-59.3	-174.1	158	64.9	0	0	0	0	113.6
182	S	34.4	Very low	32.3	Very low	91 Å²	91	121.2 Å²	121.2	64%	0.636	73%	0.73	S	S	*	*			cis	-158	156	42.2	-91.3	0	0	0	0	111.5
183	T	35.1	Very low	32.1	Very low	100 Å²	100	119.9 Å²	119.9	61%	0.613	73%	0.725	S	S	*	*				61.9	132.8	78.8	-16.4	0	0	0	0	111.2	Q185	T183-Q185 HydrophobicContact CG2-CG 4.43Å
184	D	35.2	Very low	32.1	Very low	131 Å²	131	123.6 Å²	123.6	70%	0.701	73%	0.728	S	S	*	*			cis	-145.6	151.9	46	-84.4	-66.8	0	0	0	111.9
185	Q	32.5	Very low	31.8	Very low	146 Å²	146	123 Å²	123	68%	0.682	73%	0.727	S	S	*	*			cis	88.4	138.1	49.9	-83.5	-161.7	107.4	0	0	116.5	T183	T183-Q185 HydrophobicContact CG2-CG 4.43Å
186	I	32.8	Very low	31.9	Very low	131 Å²	131	125.2 Å²	125.2	67%	0.672	73%	0.726	S	S	*	*			trans	62.1	106.4	155.3	-58.8	156.1	0	0	0	117.2
187	N	31.8	Very low	31.9	Very low	148 Å²	148	123.8 Å²	123.8	79%	0.791	72%	0.721	S	S	*	*				-165.3	158.1	91.2	-127.9	-29.4	0	0	0	113.5
188	S	32	Very low	31.9	Very low	110 Å²	110	127.1 Å²	127.1	77%	0.769	73%	0.726	S	S	*	*			trans	-124.4	118.4	176	-63.9	0	0	0	0	110.9
189	S	30.4	Very low	32.2	Very low	104 Å²	104	124 Å²	124	73%	0.727	72%	0.718	S	S	*	*			trans	-162.1	120.4	159.1	-38	0	0	0	0	112.1
190	N	30.3	Very low	32.5	Very low	143 Å²	143	125.2 Å²	125.2	77%	0.765	72%	0.723	S	S	*	*				57.8	159.2	128.3	-61.5	16.4	0	0	0	123.7
191	D	32.5	Very low	32.8	Very low	138 Å²	138	123.6 Å²	123.6	74%	0.738	72%	0.722	S	S	*	*			trans	65.5	78.5	150.1	-53.6	-22	0	0	0	120.4
192	S	30.2	Very low	33	Very low	88 Å²	88	123.7 Å²	123.7	62%	0.615	73%	0.728	S	S	*	*				21.6	144.8	117.7	65	0	0	0	0	121.9
193	N	29.1	Very low	33.4	Very low	140 Å²	140	124.3 Å²	124.3	75%	0.749	73%	0.732	S	S	*	*			trans	102.2	158.6	151.8	-57.2	-52.3	0	0	0	119
194	I	31.5	Very low	33.5	Very low	139 Å²	139	124.4 Å²	124.4	71%	0.713	74%	0.737	S	S	*	*			trans	65.6	86.5	162.8	-62.7	149.4	0	0	0	114.7
195	S	28.7	Very low	33.3	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	74%	0.739	S	S	*	*				50.6	90.9	74.7	-52.4	0	0	0	0	115.8
196	Q	32.8	Very low	33.4	Very low	173 Å²	173	122 Å²	122	81%	0.808	74%	0.74	S	S	*	*			trans	-166.4	128.2	145.6	-100.7	141.2	93.6	0	0	107.1
197	A	31.6	Very low	33.3	Very low	82 Å²	82	124.3 Å²	124.3	68%	0.678	75%	0.745	S	S	*	*				66	133.9	79	0	0	0	0	0	111.8
198	L	35.1	Very low	33.1	Very low	160 Å²	160	122.2 Å²	122.2	84%	0.838	74%	0.742	S	S	*	*			cis	-150.1	160.9	40.8	-74.6	158.7	0	0	0	114.5
199	S	34.7	Very low	33	Very low	97 Å²	97	122 Å²	122	68%	0.678	74%	0.739	S	S	*	*			trans	50.2	124.1	152.4	52.9	0	0	0	0	121.1
200	L	36.2	Very low	33.2	Very low	160 Å²	160	123.8 Å²	123.8	84%	0.838	75%	0.746	S	S	*	*				72.8	151.8	51	-64.6	167.5	0	0	0	114.1
201	P	39.6	Very low	33.6	Very low	115 Å²	115	122 Å²	122	75%	0.747	74%	0.742	S	S	*	*			cis	-120.6	144.8	9.8	38	-22.3	0	0	0	115.2
202	A	37.6	Very low	33.6	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	74%	0.743	S	S	*	*				76.1	147.8	100.9	0	0	0	0	0	115.7
203	S	42.7	Very low	33.8	Very low	105 Å²	105	123.1 Å²	123.1	73%	0.734	75%	0.745	S	S	*	*			cis	-152.6	158.4	25.4	47.8	0	0	0	0	114.5
204	S	36.2	Very low	34	Very low	102 Å²	102	122.8 Å²	122.8	71%	0.713	74%	0.739	S	S	*	*			trans	37.8	122.2	156.7	47.9	0	0	0	0	120.3
205	C	30.7	Very low	34	Very low	109 Å²	109	126.1 Å²	126.1	74%	0.736	74%	0.742	S	S	*	*			cis	64.6	144.8	44.6	-137.4	0	0	0	0	111.9
206	T	35.8	Very low	34.1	Very low	116 Å²	116	126.2 Å²	126.2	71%	0.712	74%	0.738	S	S	*	*			cis	-154	136.2	28.3	-51.4	0	0	0	0	114.6
207	K	30.4	Very low	34.1	Very low	180 Å²	180	124 Å²	124	78%	0.783	74%	0.737	S	S	*	*			trans	9.3	142.8	147.5	-68.7	-178.2	174.9	-178.8	0	123.6
208	C	27.7	Very low	34.1	Very low	105 Å²	105	124.7 Å²	124.7	71%	0.709	74%	0.736	S	S	*	*				84.6	110.1	127.6	-75.4	0	0	0	0	123.5
209	C	29.1	Very low	34.1	Very low	106 Å²	106	124 Å²	124	72%	0.716	73%	0.733	S	S	*	*				91.2	147	116.8	-66.8	0	0	0	0	122.5
210	T	34.6	Very low	34.1	Very low	141 Å²	141	124.8 Å²	124.8	87%	0.865	73%	0.734	S	S	*	*			trans	71	144.7	167.5	44	0	0	0	0	118.6
211	P	38.3	Very low	34.1	Very low	106 Å²	106	126.9 Å²	126.9	69%	0.688	73%	0.731	S	S	*	*			trans	-102.6	172.5	-170	43.6	-37.1	0	0	0	112.4
212	D	33.8	Very low	33.9	Very low	141 Å²	141	127.5 Å²	127.5	75%	0.754	73%	0.726	S	S	*	*				-172.7	156.7	100	-122.9	-52.1	0	0	0	116
213	T	33.8	Very low	33.8	Very low	107 Å²	107	128 Å²	128	66%	0.656	72%	0.724	S	S	*	*			trans	33.6	126.2	142.3	-67.4	0	0	0	0	122.3
214	E	32.5	Very low	33.4	Very low	134 Å²	134	128 Å²	128	63%	0.626	72%	0.723	S	S	*	*			trans	25.6	135.5	149.3	-49.2	177.4	-176.2	0	0	120.9
215	R	32.3	Very low	33.5	Very low	208 Å²	208	128.3 Å²	128.3	79%	0.785	73%	0.725	S	S	*	*				-173	130.1	72.5	-88.6	-167.5	179.4	178.9	1.4	109.6
216	V	30.7	Very low	34	Very low	112 Å²	112	128.9 Å²	128.9	68%	0.679	73%	0.725	S	S	*	*				76.8	141.3	80.1	170.1	0	0	0	0	113.4
217	T	31.9	Very low	34.2	Very low	127 Å²	127	130 Å²	130	78%	0.779	73%	0.727	S	S	*	*			trans	68.1	150.4	174.5	34.8	0	0	0	0	117
218	S	33.2	Very low	34.7	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	73%	0.729	S	S	*	*			cis	-164.7	149.6	1.9	30.2	0	0	0	0	114.8
219	L	33.9	Very low	35.2	Very low	145 Å²	145	125.9 Å²	125.9	76%	0.759	73%	0.725	S	S	*	*			trans	58.3	119.4	142.7	-79.2	74.3	0	0	0	120.5
220	T	35.1	Very low	36	Very low	115 Å²	115	125.7 Å²	125.7	71%	0.706	72%	0.723	S	S	*	*				79.2	129.5	86.5	-41.3	0	0	0	0	112.8
221	R	35.7	Very low	36	Very low	204 Å²	204	130 Å²	130	77%	0.77	72%	0.723	S	S	*	*				-170.7	142.3	81.7	-91.6	175.9	-175.4	-95.2	-2.1	114.7
222	I	35.3	Very low	36	Very low	127 Å²	127	129.5 Å²	129.5	65%	0.651	72%	0.722	S	S	*	*			trans	69.3	111.2	133.1	-66.3	173.3	0	0	0	116.9
223	S	36	Very low	36.1	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	72%	0.72	S	S	*	*				111.1	164.6	60.6	-72.9	0	0	0	0	109
224	C	34.4	Very low	36.2	Very low	106 Å²	106	127.2 Å²	127.2	72%	0.716	72%	0.722	S	S	*	*			cis	-159.8	149.9	1.8	20.1	0	0	0	0	111.3
225	S	38.7	Very low	36.4	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	73%	0.733	S	S	*	*			trans	64	158.8	140	-61.7	0	0	0	0	119.3
226	V	41.1	Very low	36.7	Very low	122 Å²	122	123.6 Å²	123.6	74%	0.739	73%	0.729	S	S	*	*			cis	-152.6	176.6	1.3	-105.8	0	0	0	0	106.4
227	D	39.9	Very low	37.3	Very low	140 Å²	140	123.8 Å²	123.8	75%	0.749	74%	0.735	S	S	*	*			cis	-179.6	158.9	-37.3	-89.2	0.9	0	0	0	104
228	V	41.8	Very low	37.5	Very low	135 Å²	135	121.2 Å²	121.2	82%	0.818	73%	0.734	S	S	*	*			cis	-141.4	-171.8	6.4	85	0	0	0	0	106.2
229	G	37.9	Very low	37.9	Very low	62 Å²	62	129.1 Å²	129.1	64%	0.639	75%	0.749	S	S	*	*			cis	124	-178.9	22.5	0	0	0	0	0	110.2
230	P	45.6	Very low	38	Very low	102 Å²	102	125.4 Å²	125.4	66%	0.662	75%	0.745	S	S	*	*			cis	-130.1	168.9	-5.1	42.6	-28.4	0	0	0	115.6
231	R	34.7	Very low	38.3	Very low	233 Å²	233	126 Å²	126	88%	0.879	76%	0.755	S	S	*	*			trans	71.7	139.4	156	-72.4	164.1	170	-177.6	-6.4	118.4
232	S	38.6	Very low	38.9	Very low	95 Å²	95	120.4 Å²	120.4	66%	0.664	75%	0.746	S	S	*	*			cis	-158.2	139.2	-5.4	-80.2	0	0	0	0	107.4
233	S	35.5	Very low	39.1	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	75%	0.754	S	S	*	*				67.6	133.2	53	76.8	0	0	0	0	115.3
234	S	36.5	Very low	39.1	Very low	99 Å²	99	121.1 Å²	121.1	69%	0.692	76%	0.755	S	S	*	*			cis	-176.5	148.3	-3.2	-99.7	0	0	0	0	113.6
235	L	36	Very low	39.3	Very low	167 Å²	167	124 Å²	124	87%	0.874	76%	0.761	S	S	*	*			trans	63.6	160.1	151	-55.9	167.3	0	0	0	118.6
236	S	39.2	Very low	39.3	Very low	98 Å²	98	122.2 Å²	122.2	69%	0.685	76%	0.759	S	S	*	*			cis	-163.5	147.3	25.9	-168.7	0	0	0	0	116.9
237	S	42.3	Very low	39.2	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	76%	0.759	S	S	*	*			trans	58.6	129	139.8	60.9	0	0	0	0	126.9
238	G	36	Very low	39.1	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	76%	0.764	S	S	*	*			trans	145.1	95.2	151.9	0	0	0	0	0	113.9
239	R	41	Very low	38.9	Very low	262 Å²	262	124.5 Å²	124.5	99%	0.989	76%	0.763	S	S	*	*				55.1	127.1	77.1	-75.4	-171.6	165.5	-159.6	-4.6	114.8
240	G	36.6	Very low	38.8	Very low	66 Å²	66	125 Å²	125	68%	0.68	77%	0.768	S	S	*	*			cis	-159.7	163.5	-2.2	0	0	0	0	0	110.9
241	S	42	Very low	38.4	Very low	129 Å²	129	126.6 Å²	126.6	90%	0.902	78%	0.781	S	S	*	*				71.3	136.6	96.9	-62.2	0	0	0	0	115.1
242	S	47	Very low	38.4	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	77%	0.772	S	S	*	*			cis	-157.9	171.5	9.6	58.2	0	0	0	0	115.1
243	E	40.4	Very low	38.4	Very low	174 Å²	174	120.2 Å²	120.2	81%	0.813	78%	0.783	S	S	*	*			trans	58.4	147.2	158.7	-66.8	137.9	-113.1	0	0	120.2
244	G	36.4	Very low	38.4	Very low	71 Å²	71	119.4 Å²	119.4	73%	0.732	79%	0.791	S	S	*	*			cis	167.3	171	-6.8	0	0	0	0	0	110.6
245	I	39	Very low	38.2	Very low	167 Å²	167	118.1 Å²	118.1	86%	0.856	79%	0.793	S	S	*	*			cis	-165.9	142.4	-13.5	-104	157.4	0	0	0	109.2
246	G	37.6	Very low	38.1	Very low	69 Å²	69	114.8 Å²	114.8	71%	0.711	79%	0.79	S	S	*	*			trans	89.2	155	166.9	0	0	0	0	0	117.3
247	S	39.9	Very low	38	Very low	104 Å²	104	116.3 Å²	116.3	73%	0.727	79%	0.794	S	S	*	*			cis	-152.9	134.1	-9	-88.5	0	0	0	0	109.3
248	R	36.9	Very low	37.5	Very low	228 Å²	228	115 Å²	115	86%	0.86	79%	0.785	S	S	*	*				49.7	133.3	92.4	-53.4	-178.6	88.2	-150.2	8.9	114.5
249	S	37.2	Very low	37.4	Very low	114 Å²	114	122.6 Å²	122.6	80%	0.797	79%	0.792	S	S	*	*			cis	-171	156.9	-8.5	-88.5	0	0	0	0	108.2
250	G	35.6	Very low	37	Very low	71 Å²	71	115.3 Å²	115.3	73%	0.732	78%	0.781	S	S	*	*			trans	-173.1	127.2	171.2	0	0	0	0	0	114.6
251	S	38.7	Very low	36.8	Very low	136 Å²	136	117.8 Å²	117.8	95%	0.951	79%	0.788	S	S	*	*			trans	-150.9	140.5	175.7	-61.6	0	0	0	0	111
252	G	35.1	Very low	36.6	Very low	66 Å²	66	117.7 Å²	117.7	68%	0.68	79%	0.787	S	S	*	*			trans	151.1	128.1	172.3	0	0	0	0	0	110
253	S	38.2	Very low	36.1	Very low	128 Å²	128	119 Å²	119	90%	0.895	80%	0.797	S	S	*	*			cis	93.7	110.8	26.3	81.9	0	0	0	0	114.5
254	G	35.3	Very low	35.8	Very low	85 Å²	85	114 Å²	114	88%	0.876	79%	0.791	S	S	*	*			trans	108.7	157.3	175.6	0	0	0	0	0	114
255	G	32	Very low	35.9	Very low	72 Å²	72	119.9 Å²	119.9	74%	0.742	80%	0.799	S	S	*	*			cis	179	29.9	4	0	0	0	0	0	119.8
256	A	34.6	Very low	35.4	Very low	97 Å²	97	115.9 Å²	115.9	80%	0.802	80%	0.799	S	S	*	*			trans	66.9	175.5	164.5	0	0	0	0	0	119.9
257	V	36.7	Very low	35.2	Very low	129 Å²	129	116.5 Å²	116.5	78%	0.782	81%	0.806	S	S	*	*			trans	63	101.7	163.7	-66.1	0	0	0	0	122.8
258	S	32.4	Very low	34.9	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	82%	0.818	S	S	*	*				79.2	109.8	114.4	-62.4	0	0	0	0	123.7
259	R	33	Very low	34.8	Very low	231 Å²	231	112 Å²	112	87%	0.872	81%	0.814	S	S	*	*				81.2	148	124.1	-63.5	175	-176.5	-171.8	-0.5	121.1
260	S	31.9	Very low	34.7	Very low	109 Å²	109	109.9 Å²	109.9	76%	0.762	81%	0.811	S	S	*	*			trans	83.5	100.3	155.4	-58.1	0	0	0	0	119.7
261	S	33.4	Very low	34.8	Very low	119 Å²	119	112.2 Å²	112.2	83%	0.832	82%	0.816	S	S	*	*				34.5	123.5	119.8	-45.5	0	0	0	0	120.4
262	S	37.4	Very low	34.7	Very low	127 Å²	127	111.9 Å²	111.9	89%	0.888	81%	0.813	S	S	*	*				-177.4	168.2	101.5	57.1	0	0	0	0	112.4
263	S	35.5	Very low	34.8	Very low	113 Å²	113	112 Å²	112	79%	0.79	82%	0.815	S	S	*	*			trans	-97.6	144.3	-179.5	46.9	0	0	0	0	113.4
264	G	35.7	Very low	34.8	Very low	68 Å²	68	113.9 Å²	113.9	70%	0.701	81%	0.813	S	S	*	*			trans	-146.3	112.2	157.4	0	0	0	0	0	107.5
265	H	36.9	Very low	34.9	Very low	194 Å²	194	117 Å²	117	90%	0.898	81%	0.805	S	S	*	*				64.3	120.2	81.4	-83.3	50.3	0	0	0	113.2
266	G	30.2	Very low	35.1	Very low	83 Å²	83	120.4 Å²	120.4	86%	0.856	80%	0.803	S	S	*	*			trans	-91.1	165.5	-175.1	0	0	0	0	0	114.2
267	G	32.7	Very low	35.2	Very low	83 Å²	83	121.1 Å²	121.1	86%	0.856	80%	0.802	S	S	*	*			trans	-116.4	154.5	169.4	0	0	0	0	0	111.2
268	V	33.7	Very low	35.1	Very low	161 Å²	161	118.5 Å²	118.5	98%	0.976	80%	0.801	S	S	*	*			trans	-121.7	139.6	-170.4	176.6	0	0	0	0	111.2
269	G	35.1	Very low	35.3	Very low	76 Å²	76	123 Å²	123	78%	0.784	82%	0.815	S	S	*	*			trans	134.6	142.4	165.1	0	0	0	0	0	114.2
270	G	34.5	Very low	35.3	Very low	70 Å²	70	117.7 Å²	117.7	72%	0.722	81%	0.808	S	S	*	*			cis	169.5	150	-11.1	0	0	0	0	0	115.6
271	S	36.7	Very low	35.6	Very low	120 Å²	120	119.7 Å²	119.7	84%	0.839	81%	0.809	S	S	*	*			trans	82.4	145.2	154.4	-57.1	0	0	0	0	121.8
272	S	38	Very low	35.7	Very low	128 Å²	128	119.2 Å²	119.2	90%	0.895	81%	0.805	S	S	*	*			trans	79.7	118.9	162.2	-52.1	0	0	0	0	118.4
273	G	37.4	Very low	36.4	Very low	69 Å²	69	118.8 Å²	118.8	71%	0.711	80%	0.8	S	S	*	*			cis	164.1	171.8	-9.8	0	0	0	0	0	114.1
274	I	38.4	Very low	36.5	Very low	167 Å²	167	119.4 Å²	119.4	86%	0.856	80%	0.804	S	S	*	*			trans	73.2	134.1	162.2	-58.3	173.4	0	0	0	116.9
275	Q	37.1	Very low	36.7	Very low	152 Å²	152	119.3 Å²	119.3	71%	0.71	80%	0.803	S	S	*	*			cis	-170.4	163.2	-26.9	-136.6	-177.5	-2.5	0	0	113.2
276	M	35.9	Very low	36.8	Very low	143 Å²	143	116 Å²	116	70%	0.704	80%	0.801	S	S	*	*			trans	68.3	104.5	151.1	-62.7	-43.8	-156.2	0	0	125.6
277	S	36.1	Very low	37.3	Very low	112 Å²	112	116.1 Å²	116.1	78%	0.783	79%	0.79	S	S	*	*				82.8	129	106.8	-59.4	0	0	0	0	126.4
278	G	36	Very low	37.6	Very low	74 Å²	74	119.3 Å²	119.3	76%	0.763	79%	0.787	S	S	*	*			trans	103	145.6	145	0	0	0	0	0	118
279	M	35.7	Very low	37.9	Very low	184 Å²	184	118 Å²	118	91%	0.906	78%	0.779	S	S	*	*			cis	-155.2	132.1	-11.5	-96.5	-168	168	0	0	112.5
280	V	33.8	Very low	38.1	Very low	120 Å²	120	118.5 Å²	118.5	73%	0.727	78%	0.776	S	S	*	*			trans	19.2	137	139.2	-144.5	0	0	0	0	123.2
281	L	37.1	Very low	38.4	Very low	150 Å²	150	123.4 Å²	123.4	79%	0.785	78%	0.784	S	S	*	*				147.2	100.5	124.4	-78.6	174.5	0	0	0	118.3
282	S	36.4	Very low	38.8	Very low	109 Å²	109	122.8 Å²	122.8	76%	0.762	78%	0.777	S	S	*	*				78.1	156.2	118.6	-59.8	0	0	0	0	126.2
283	P	51.3	Low	38.8	Very low	118 Å²	118	122.7 Å²	122.7	77%	0.766	77%	0.773	S	S	*	*			trans	-137.3	-163.2	-163.1	44.3	-23.8	0	0	0	115.6
284	S	37.7	Very low	39	Very low	126 Å²	126	124.7 Å²	124.7	88%	0.881	78%	0.776	S	S	*	*				149.1	162.6	129.1	62.8	0	0	0	0	116.9
285	G	39.7	Very low	38.8	Very low	66 Å²	66	121.1 Å²	121.1	68%	0.68	77%	0.766	S	S	*	*			trans	127.5	90.6	175.4	0	0	0	0	0	113.3
286	S	40.2	Very low	38.5	Very low	124 Å²	124	118.9 Å²	118.9	87%	0.867	77%	0.767	S	S	*	*				85.1	133.9	66.5	-66.5	0	0	0	0	114.1
287	S	40	Very low	38.6	Very low	87 Å²	87	122.1 Å²	122.1	61%	0.608	77%	0.773	S	S	*	*			cis	-174.3	153.2	-3.8	52.5	0	0	0	0	114.3
288	N	39.5	Very low	38.3	Very low	149 Å²	149	122.1 Å²	122.1	80%	0.797	77%	0.773	S	S	*	*			trans	69.8	154.9	157.1	-49.8	-27.9	0	0	0	117.8
289	V	39.8	Very low	38.3	Very low	134 Å²	134	124.1 Å²	124.1	81%	0.812	78%	0.775	S	S	*	*			cis	-138	129.8	4.9	177.2	0	0	0	0	106
290	A	38.3	Very low	38.1	Very low	86 Å²	86	121 Å²	121	71%	0.711	77%	0.772	S	S	*	*			cis	92.4	110.5	37.8	0	0	0	0	0	115.9
291	I	40.9	Very low	38	Very low	173 Å²	173	118.8 Å²	118.8	89%	0.887	77%	0.773	S	S	*	*			trans	-170.4	146.4	148.1	-101.8	157	0	0	0	108.5
292	P	46.5	Very low	37.9	Very low	108 Å²	108	116.2 Å²	116.2	70%	0.701	77%	0.767	S	S	*	*			trans	-122.2	165.9	-140.4	41.4	-31.3	0	0	0	117.4
293	P	37.6	Very low	37.7	Very low	126 Å²	126	115.1 Å²	115.1	82%	0.818	76%	0.76	S	S	*	*			trans	-91.4	155.4	161.7	37.1	-32.9	0	0	0	112.7
294	S	40.3	Very low	36.7	Very low	110 Å²	110	119.2 Å²	119.2	77%	0.769	76%	0.762	S	S	*	*			trans	-157.6	162.6	173.7	55.9	0	0	0	0	111.5
295	S	33.8	Very low	36.5	Very low	92 Å²	92	117.8 Å²	117.8	64%	0.643	75%	0.752	S	S	*	*				175.4	139.4	-52	49	0	0	0	0	108.4
296	S	32.2	Very low	36.1	Very low	106 Å²	106	120.3 Å²	120.3	74%	0.741	76%	0.759	S	S	*	*			trans	61.8	168.4	177.6	64.2	0	0	0	0	114.3
297	Y	36.8	Very low	35.9	Very low	210 Å²	210	118.8 Å²	118.8	82%	0.824	75%	0.748	S	S	*	*			cis	-151.1	171.7	20.3	19.9	-105	0	0	0	112.7
298	S	31.5	Very low	35.5	Very low	112 Å²	112	121.2 Å²	121.2	78%	0.783	76%	0.76	S	S	*	*			trans	-50.5	171.1	173.3	-41.3	0	0	0	0	114.3
299	S	35	Very low	35.2	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	76%	0.76	S	S	*	*			cis	-166.1	-177.3	36.3	56.6	0	0	0	0	115.2
300	S	30.7	Very low	35	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	76%	0.762	S	S	*	*			trans	-72.1	152.6	-174.9	52.1	0	0	0	0	117.8
301	G	33.5	Very low	34.8	Very low	72 Å²	72	116.6 Å²	116.6	74%	0.742	76%	0.763	S	S	*	*			trans	143.4	151.6	149.1	0	0	0	0	0	113.9
302	S	33.7	Very low	34.9	Very low	96 Å²	96	114.8 Å²	114.8	67%	0.671	76%	0.763	S	S	*	*			cis	171.2	95	-25.5	43.1	0	0	0	0	107.6
303	S	31.7	Very low	34.4	Very low	87 Å²	87	113.7 Å²	113.7	61%	0.608	76%	0.763	S	S	*	*			trans	62.9	176.2	149.8	48.9	0	0	0	0	120.9
304	Y	30.6	Very low	35	Very low	203 Å²	203	113.4 Å²	113.4	80%	0.796	76%	0.761	S	S	*	*			trans	75.2	140.1	171.2	-33.3	-68.1	0	0	0	116.7
305	S	33.3	Very low	35.2	Very low	97 Å²	97	114.1 Å²	114.1	68%	0.678	76%	0.763	S	S	*	*			cis	-173.7	140.1	-16.3	46.4	0	0	0	0	112.3
306	S	32.7	Very low	35.1	Very low	118 Å²	118	113.9 Å²	113.9	83%	0.825	77%	0.766	S	S	*	*			trans	64.3	167	156.5	75.9	0	0	0	0	117.4
307	S	34.4	Very low	35.1	Very low	92 Å²	92	114.8 Å²	114.8	64%	0.643	77%	0.767	S	S	*	*			cis	-152.8	144.1	15.1	56.2	0	0	0	0	115.4
308	T	33.1	Very low	34.9	Very low	139 Å²	139	111.4 Å²	111.4	85%	0.853	76%	0.762	S	S	*	*			trans	45.3	127.9	139.9	59.9	0	0	0	0	122.8
309	G	33.2	Very low	34.9	Very low	78 Å²	78	113.7 Å²	113.7	80%	0.804	77%	0.765	S	S	*	*			trans	-179.8	87.6	161.8	0	0	0	0	0	116
310	S	34.6	Very low	34.8	Very low	123 Å²	123	111.3 Å²	111.3	86%	0.86	76%	0.759	S	S	*	*			trans	-41.3	145.8	165	46.2	0	0	0	0	114.4
311	G	35	Very low	34.8	Very low	71 Å²	71	111.8 Å²	111.8	73%	0.732	76%	0.757	S	S	*	*			cis	92.8	152.8	45.6	0	0	0	0	0	110.5
312	P	42.5	Very low	34.6	Very low	134 Å²	134	116 Å²	116	87%	0.87	76%	0.757	S	S	*	*			cis	-130.1	-166.2	9.8	44.2	-27.5	0	0	0	115.1
313	A	36.7	Very low	34.5	Very low	85 Å²	85	117.9 Å²	117.9	70%	0.702	76%	0.759	S	S	*	*			trans	-113.9	-154.8	167.6	0	0	0	0	0	109.1
314	P	49.3	Very low	34.8	Very low	120 Å²	120	121.2 Å²	121.2	78%	0.779	77%	0.768	S	S	*	*			cis	-119.2	-120	-16	38.9	-16.2	0	0	0	108.8
315	P	44.2	Very low	35.1	Very low	125 Å²	125	116.6 Å²	116.6	81%	0.812	76%	0.763	S	S	*	*			cis	-118.7	-117.2	-9.8	39.6	-19.2	0	0	0	113.4
316	A	32.4	Very low	35.5	Very low	87 Å²	87	116 Å²	116	72%	0.719	76%	0.764	S	S	*	*			trans	-153.7	-178.8	-175.3	0	0	0	0	0	111
317	V	32.3	Very low	35.8	Very low	126 Å²	126	116.2 Å²	116.2	76%	0.764	76%	0.763	S	S	*	*			trans	165	112.6	132.6	156.3	0	0	0	0	114.1
318	I	32.3	Very low	35.8	Very low	138 Å²	138	118.7 Å²	118.7	71%	0.708	77%	0.768	S	S	*	*			trans	52.3	131.4	130.8	-52.4	176.3	0	0	0	122.7
319	N	32.7	Very low	35.9	Very low	160 Å²	160	118.3 Å²	118.3	86%	0.856	76%	0.76	S	S	*	*			trans	65.2	131.4	154.4	-70.6	-8	0	0	0	123.5
320	G	31	Very low	36.2	Very low	66 Å²	66	119.7 Å²	119.7	68%	0.68	76%	0.755	S	S	*	*				135.4	136.2	110.4	0	0	0	0	0	119.4
321	V	31.4	Very low	36.2	Very low	130 Å²	130	121.2 Å²	121.2	79%	0.788	75%	0.748	S	S	*	*			trans	68.2	110.7	148	-176.5	0	0	0	0	116.5
322	E	29.2	Very low	36	Very low	161 Å²	161	125.5 Å²	125.5	75%	0.752	75%	0.746	S	S	*	*				65.5	137.4	90.6	-111.4	-166.5	132.1	0	0	114
323	L	32	Very low	35.6	Very low	135 Å²	135	126.4 Å²	126.4	71%	0.707	74%	0.743	S	S	*	*			cis	-129.7	-153.8	6	-84.4	163.4	0	0	0	108.8
324	I	37.3	Very low	35.1	Very low	157 Å²	157	124.7 Å²	124.7	81%	0.805	73%	0.726	S	S	*	*			cis	-148.5	139.2	3.2	-43.4	159.9	0	0	0	109
325	P	38.3	Very low	34.4	Very low	107 Å²	107	125.7 Å²	125.7	70%	0.695	72%	0.719	S	S	*	*			trans	-121.1	163.8	174.7	40.2	-30.3	0	0	0	116.4
326	A	40.5	Very low	33.7	Very low	84 Å²	84	123.4 Å²	123.4	69%	0.694	71%	0.705	S	S	*	*			trans	66.9	-179.7	163.9	0	0	0	0	0	115.9
327	P	40	Very low	33.8	Very low	122 Å²	122	125.6 Å²	125.6	79%	0.792	71%	0.712	S	S	*	*			cis	-100.6	171.2	0.3	41.2	-33.7	0	0	0	114
328	L	33.6	Very low	33.8	Very low	144 Å²	144	125.1 Å²	125.1	75%	0.754	72%	0.715	S	S	*	*			cis	92.8	128.8	17.3	-75.8	178.4	0	0	0	119.1
329	L	36.3	Very low	33.6	Very low	132 Å²	132	122 Å²	122	69%	0.691	72%	0.717	S	S	*	*			trans	71.4	166.7	156.9	-65.7	168.2	0	0	0	118.7
330	P	38.2	Very low	33.6	Very low	107 Å²	107	124 Å²	124	70%	0.695	72%	0.721	S	S	*	*			cis	-131.9	152.4	-8.8	19.6	5.1	0	0	0	118
331	H	34.9	Very low	33.4	Very low	155 Å²	155	125 Å²	125	72%	0.718	72%	0.723	S	S	*	*			trans	37.6	125.8	133.7	-57.5	-57.2	0	0	0	125.9
332	K	31.4	Very low	33.5	Very low	160 Å²	160	127 Å²	127	70%	0.696	73%	0.728	S	S	*	*				70.5	115.1	115.3	-171.1	-171.6	-177.5	-176.8	0	120.5
333	L	33.2	Very low	33.4	Very low	154 Å²	154	126.1 Å²	126.1	81%	0.806	73%	0.729	S	S	*	*				-165.8	-168	120.7	-103.6	169.3	0	0	0	111.1
334	S	27.6	Very low	33.4	Very low	48 Å²	48	129.5 Å²	129.5	34%	0.336	73%	0.734	S	S	.	*			trans	-150.1	-163.7	-153.8	63	0	0	0	0	115.1	P534	S334-P534 WeakPolarHBondContact CB-O 3.46Å; S334-P534 PolarHBondContact OG-O 2.96Å
335	F	32.9	Very low	33	Very low	142 Å²	142	126.5 Å²	126.5	62%	0.623	73%	0.726	S	S	*	*			trans	70.3	159.2	-172	-66.6	-105.7	0	0	0	114.8
336	S	29.5	Very low	32.5	Very low	76 Å²	76	125.6 Å²	125.6	53%	0.531	73%	0.728	S	S	.	*			cis	-173.1	158.1	-39.3	-94.7	0	0	0	0	106.9	S338	S336-S338 PolarHBondContact O-N 3.16Å
337	P	34.9	Very low	32.1	Very low	133 Å²	133	129 Å²	129	86%	0.864	73%	0.733	S	S	*	*			trans	-91.7	105	-164.3	33.8	-34.4	0	0	0	115.4
338	S	32	Very low	31.5	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	72%	0.724	S	S	*	*			trans	-165.9	141.6	156.3	54.1	0	0	0	0	108	S336	S336-S338 PolarHBondContact O-N 3.16Å
339	G	29.5	Very low	31.3	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	73%	0.726	S	S	*	*			cis	119.2	67.6	18.5	0	0	0	0	0	110.1
340	Q	31.3	Very low	31.2	Very low	200 Å²	200	126.4 Å²	126.4	94%	0.935	73%	0.729	S	S	*	*			trans	-156.4	141.6	166.9	-118.3	169.2	58.5	0	0	110.4
341	A	27.3	Very low	30.8	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	73%	0.726	S	S	*	*			trans	-94.2	146.3	174	0	0	0	0	0	110
342	L	33.7	Very low	30.6	Very low	172 Å²	172	125.8 Å²	125.8	90%	0.901	73%	0.729	S	S	*	*			trans	-124.5	139.5	157.8	-75.7	177.3	0	0	0	109
343	N	26.4	Very low	30.9	Very low	142 Å²	142	123.9 Å²	123.9	76%	0.759	73%	0.726	S	S	*	*			trans	-137.4	108.3	-160.5	175.2	34.7	0	0	0	109.7
344	Y	32.2	Very low	30.8	Very low	207 Å²	207	121.5 Å²	121.5	81%	0.812	72%	0.723	S	S	*	*			trans	-139.6	108.4	168.9	-77.5	-89.2	0	0	0	105.7
345	S	29.3	Very low	31.3	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	74%	0.741	S	S	*	*				64.5	135.6	69.7	82.5	0	0	0	0	112.2
346	A	27.2	Very low	31.7	Very low	87 Å²	87	120.6 Å²	120.6	72%	0.719	74%	0.744	S	S	*	*			cis	-164.5	-139.8	-8.2	0	0	0	0	0	106.1
347	I	33	Very low	32.1	Very low	156 Å²	156	123.6 Å²	123.6	80%	0.8	75%	0.754	S	S	*	*			trans	70.9	95.2	175.5	-47.7	170.5	0	0	0	111.5
348	S	28.3	Very low	32.1	Very low	86 Å²	86	122 Å²	122	60%	0.601	74%	0.742	S	S	*	*			cis	78.7	131.4	47.5	86.5	0	0	0	0	114.7
349	N	27.9	Very low	32.3	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	74%	0.736	S	S	*	*			trans	72.3	145.9	165.4	-57.9	-13.9	0	0	0	115.1
350	S	33.8	Very low	32.4	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	73%	0.734	S	S	*	*			cis	-168.1	157.4	-3.7	40	0	0	0	0	113
351	S	29.8	Very low	32.4	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	72%	0.721	S	S	*	*			trans	67.4	111.3	137.2	-171.4	0	0	0	0	121.6
352	M	31.5	Very low	32.6	Very low	156 Å²	156	123 Å²	123	77%	0.768	72%	0.718	S	S	*	*			trans	69.1	159.4	136.3	-61.4	174.1	74.5	0	0	117.5
353	D	37	Very low	32.4	Very low	121 Å²	121	119.8 Å²	119.8	65%	0.647	71%	0.709	S	S	*	*			cis	-145.5	170	13.8	-142.8	-21.7	0	0	0	114.8
354	S	32.8	Very low	32.8	Very low	104 Å²	104	120 Å²	120	73%	0.727	71%	0.708	S	S	*	*			trans	-13.6	165.4	158	-56.1	0	0	0	0	120.1
355	A	37.9	Very low	33	Very low	87 Å²	87	115 Å²	115	72%	0.719	70%	0.702	S	S	*	*			cis	-157.1	155.6	24	0	0	0	0	0	115.4
356	A	39.7	Very low	33.3	Very low	83 Å²	83	116.6 Å²	116.6	69%	0.686	70%	0.704	S	S	*	*				48.2	148.6	128.9	0	0	0	0	0	121.7
357	N	39.4	Very low	33.6	Very low	139 Å²	139	116.1 Å²	116.1	74%	0.743	70%	0.695	S	S	*	*			cis	-127.3	140.3	12.8	-91.8	-66.9	0	0	0	111
358	T	34.1	Very low	33.5	Very low	99 Å²	99	117.4 Å²	117.4	61%	0.607	70%	0.697	S	S	*	*				67.3	125.4	77.9	-36.7	0	0	0	0	109.9
359	T	35.7	Very low	33.6	Very low	114 Å²	114	116.8 Å²	116.8	70%	0.699	70%	0.698	S	S	*	*				-160	112	61.3	-53.9	0	0	0	0	114
360	I	32.9	Very low	33.8	Very low	138 Å²	138	116.6 Å²	116.6	71%	0.708	70%	0.695	S	S	*	*			trans	68.3	144.1	134.7	-62.4	-178	0	0	0	120.5
361	L	29.8	Very low	33.9	Very low	128 Å²	128	118.3 Å²	118.3	67%	0.67	69%	0.691	S	S	*	*			cis	-161.7	152.5	-25.8	-101.4	176.4	0	0	0	109.5
362	N	31.3	Very low	34	Very low	121 Å²	121	121.2 Å²	121.2	65%	0.647	70%	0.695	S	S	*	*			trans	11.1	166	133.9	-52.4	9.3	0	0	0	120.7
363	S	31.4	Very low	34	Very low	103 Å²	103	118.5 Å²	118.5	72%	0.72	69%	0.691	S	S	*	*			cis	-155.9	137.1	26.9	-37.4	0	0	0	0	109.6
364	M	34.1	Very low	33.7	Very low	148 Å²	148	117.6 Å²	117.6	73%	0.729	69%	0.694	S	S	*	*				60.2	124.3	78.7	-61.3	178.6	61	0	0	117
365	S	36.6	Very low	33.6	Very low	100 Å²	100	120.4 Å²	120.4	70%	0.699	70%	0.7	S	S	*	*			trans	169.8	108.2	134.6	-73.1	0	0	0	0	107.6
366	D	34.7	Very low	33.3	Very low	129 Å²	129	123 Å²	123	69%	0.69	71%	0.707	S	S	*	*				78.6	139.9	83.9	-90.1	-62.4	0	0	0	113.8
367	S	33.1	Very low	33.2	Very low	76 Å²	76	127.2 Å²	127.2	53%	0.531	72%	0.717	S	S	.	*			cis	-160.1	168.6	-0.9	-144.7	0	0	0	0	112
368	Q	31.6	Very low	33.2	Very low	183 Å²	183	126.1 Å²	126.1	86%	0.855	72%	0.718	S	S	*	*			trans	68	149.6	156.2	-71.2	170.2	47.2	0	0	117.8
369	A	30.4	Very low	33.3	Very low	74 Å²	74	127.4 Å²	127.4	61%	0.612	73%	0.728	S	S	*	*			cis	-154.5	163.2	-1	0	0	0	0	0	113.6
370	I	31.7	Very low	33.1	Very low	148 Å²	148	129.6 Å²	129.6	76%	0.759	74%	0.735	S	S	*	*			trans	75.5	114.2	140.7	-75.4	165.8	0	0	0	120
371	H	36.1	Very low	33	Very low	141 Å²	141	127.3 Å²	127.3	65%	0.653	74%	0.736	S	S	*	*			trans	70.8	103.6	153	-74	-117.6	0	0	0	118.4
372	Q	32.2	Very low	33.5	Very low	153 Å²	153	127.1 Å²	127.1	72%	0.715	74%	0.743	S	S	*	*				82.3	107	79	-79.8	178	6.3	0	0	111.3
373	S	31.8	Very low	33.6	Very low	100 Å²	100	125.3 Å²	125.3	70%	0.699	74%	0.744	S	S	*	*			cis	99.6	159	34.7	78.6	0	0	0	0	113.9
374	S	31.4	Very low	33.5	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	75%	0.746	S	S	*	*			trans	74.1	121.9	-170.2	-25.3	0	0	0	0	112.6
375	L	29.9	Very low	33.4	Very low	163 Å²	163	126 Å²	126	85%	0.853	74%	0.738	S	S	*	*			cis	62.6	104.2	43.8	-55.8	170.7	0	0	0	113.5
376	T	31.1	Very low	32.9	Very low	141 Å²	141	125.7 Å²	125.7	87%	0.865	73%	0.728	S	S	*	*			trans	-169.1	143.7	134.3	9.5	0	0	0	0	112
377	L	38.1	Very low	32.9	Very low	171 Å²	171	127.5 Å²	127.5	90%	0.895	73%	0.732	S	S	*	*			trans	-86.7	134.1	158.6	-77.2	156.6	0	0	0	108.6
378	P	39.5	Very low	32.8	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	74%	0.739	S	S	*	*			trans	-98.8	159.8	161.2	2	18.6	0	0	0	112.1
379	P	35	Very low	32.7	Very low	126 Å²	126	125.8 Å²	125.8	82%	0.818	73%	0.734	S	S	*	*			trans	-108.9	-159.8	-165	43.1	-36.2	0	0	0	115.1
380	L	31.7	Very low	32.8	Very low	160 Å²	160	130.2 Å²	130.2	84%	0.838	75%	0.746	S	S	*	*			trans	-61.2	157.8	-167.4	-71.5	67.4	0	0	0	117.1
381	A	32.6	Very low	32.7	Very low	89 Å²	89	129.1 Å²	129.1	74%	0.736	75%	0.746	S	S	*	*			trans	75.8	161.5	142.8	0	0	0	0	0	119.1
382	P	39.2	Very low	32.5	Very low	125 Å²	125	125.8 Å²	125.8	81%	0.812	75%	0.75	S	S	*	*			cis	-126.3	-137.4	-34.1	35.5	-16.8	0	0	0	110.1
383	A	33.2	Very low	32.5	Very low	82 Å²	82	125.3 Å²	125.3	68%	0.678	75%	0.752	S	S	*	*			trans	70.8	133.5	-177.7	0	0	0	0	0	114.8
384	I	29.1	Very low	32.6	Very low	149 Å²	149	126 Å²	126	76%	0.764	75%	0.753	S	S	*	*			cis	90.6	117.1	34.3	-64.1	170.9	0	0	0	112.4
385	H	31.8	Very low	32.6	Very low	118 Å²	118	126.8 Å²	126.8	55%	0.546	75%	0.753	S	S	.	*			trans	72.9	141.3	171.4	-78.9	73.7	0	0	0	120.6	P513	H385-P513 WeakPolarHBondContact NE2-CD 3.11Å; H385-P513 WeakPolarHBondContact NE2-CG 3.35Å
386	N	27.2	Very low	32.6	Very low	92 Å²	92	123.7 Å²	123.7	49%	0.492	74%	0.744	S	S	.	*			trans	5.3	140.2	141.1	-50.5	-14.3	0	0	0	117.8
387	H	34.9	Very low	32.9	Very low	167 Å²	167	123.2 Å²	123.2	77%	0.773	74%	0.741	S	S	*	*				-171.1	119.2	105.3	-94.7	-59.7	0	0	0	109.8
388	T	31	Very low	32.8	Very low	113 Å²	113	121.2 Å²	121.2	69%	0.693	74%	0.738	S	S	*	*				81.3	115.5	103.5	-66.3	0	0	0	0	113.8
389	C	29.1	Very low	32.5	Very low	111 Å²	111	119 Å²	119	75%	0.75	74%	0.737	S	S	*	*			trans	-60.9	143.4	167.9	-52.8	0	0	0	0	110.9	V391	C389-V391 WeakPolarHBondContact O-CG2 3.18Å
390	I	31.7	Very low	32.5	Very low	167 Å²	167	117.3 Å²	117.3	86%	0.856	73%	0.728	S	S	*	*			trans	-86.3	110.5	159	-63.4	172.3	0	0	0	104.8
391	V	30.4	Very low	32.7	Very low	124 Å²	124	120 Å²	120	75%	0.752	73%	0.728	S	S	*	*			cis	70.1	99.9	45.9	177.8	0	0	0	0	113.1	C389	C389-V391 WeakPolarHBondContact O-CG2 3.18Å
392	G	32.3	Very low	33	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	73%	0.73	S	S	*	*			trans	172.8	118	171.9	0	0	0	0	0	108.8
393	N	31.1	Very low	32.9	Very low	143 Å²	143	124.1 Å²	124.1	77%	0.765	72%	0.722	S	S	*	*			cis	-158.2	173.9	-3.1	-156.3	-1.3	0	0	0	110.2
394	T	34	Very low	33.2	Very low	116 Å²	116	126.2 Å²	126.2	71%	0.712	72%	0.717	S	S	*	*			trans	65.4	152.4	161	60.8	0	0	0	0	120.3
395	T	31.6	Very low	33.6	Very low	117 Å²	117	126.1 Å²	126.1	72%	0.718	71%	0.713	S	S	*	*			cis	-157.4	173.1	-47.5	-28.2	0	0	0	0	109.1
396	C	31	Very low	34	Very low	99 Å²	99	127.1 Å²	127.1	67%	0.669	72%	0.718	S	S	*	*			trans	82.6	112.9	143.6	-73.5	0	0	0	0	122.8
397	T	36.5	Very low	34.6	Very low	131 Å²	131	127.8 Å²	127.8	80%	0.804	73%	0.725	S	S	*	*				88.9	150.8	124.5	55.5	0	0	0	0	122.2
398	P	36.1	Very low	34.8	Very low	128 Å²	128	125.7 Å²	125.7	83%	0.831	72%	0.72	S	S	*	*			trans	-135.7	-174	-151.3	43.5	-24.2	0	0	0	116.4
399	G	33.5	Very low	35	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	73%	0.725	S	S	*	*			trans	99.3	159	166.6	0	0	0	0	0	114.5
400	S	35.3	Very low	35.4	Very low	90 Å²	90	126.5 Å²	126.5	63%	0.629	72%	0.72	S	S	*	*			cis	-172.5	170.7	10.8	42.5	0	0	0	0	111.5
401	Y	35.8	Very low	35.7	Very low	215 Å²	215	123.2 Å²	123.2	84%	0.843	71%	0.711	S	S	*	*			trans	68.3	136.9	172	-49.6	-70.2	0	0	0	115.9
402	Q	37.5	Very low	36.1	Very low	166 Å²	166	125 Å²	125	78%	0.776	71%	0.712	S	S	*	*			cis	-137.6	-176.1	5.9	-66.2	-175.2	-18.8	0	0	108.3
403	H	37.7	Very low	36.1	Very low	136 Å²	136	132.8 Å²	132.8	63%	0.63	72%	0.719	S	S	*	*			cis	-163.7	-174.1	-15.1	-114.3	-38.6	0	0	0	105.5
404	H	38.8	Very low	36.2	Very low	125 Å²	125	129.3 Å²	129.3	58%	0.579	72%	0.717	S	S	*	*			cis	-159	137.3	-4.2	-123.4	-66.2	0	0	0	106.7
405	H	38.4	Very low	36	Very low	148 Å²	148	128.1 Å²	128.1	69%	0.685	72%	0.719	S	S	*	*			trans	61.4	151.5	164.1	-62.7	-65.1	0	0	0	119.1
406	H	39.9	Very low	35.9	Very low	138 Å²	138	128.7 Å²	128.7	64%	0.639	72%	0.723	S	S	*	*			cis	-152.2	131.4	-3.8	-135.8	-68.7	0	0	0	111.3
407	T	40.5	Very low	35.8	Very low	107 Å²	107	132.2 Å²	132.2	66%	0.656	73%	0.729	S	S	*	*			trans	47.3	148.3	148.7	45.9	0	0	0	0	122
408	N	37.8	Very low	35.5	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	73%	0.728	S	S	*	*			cis	-161.8	158	4.1	-128.3	-6.6	0	0	0	111.5
409	M	36.7	Very low	35.2	Very low	164 Å²	164	128.2 Å²	128.2	81%	0.808	72%	0.72	S	S	*	*			trans	43.7	141.4	146.6	-59.8	-55.7	169.8	0	0	121.7
410	A	37.7	Very low	35.1	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	72%	0.721	S	S	*	*			cis	-167.4	171.1	-8.2	0	0	0	0	0	110.5
411	S	37.6	Very low	35.1	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	73%	0.728	S	S	*	*			trans	39.7	145.6	142.7	-64.7	0	0	0	0	122.5
412	H	38.3	Very low	34.9	Very low	163 Å²	163	128.9 Å²	128.9	76%	0.755	71%	0.712	S	S	*	*			cis	-158.4	179.3	3.2	-124.4	-29.4	0	0	0	113.4
413	R	31.3	Very low	34.8	Very low	233 Å²	233	127 Å²	127	88%	0.879	71%	0.707	S	S	*	*			trans	-51.3	163.6	176.2	-57.8	162.3	169.1	-177.9	-4.9	116.1
414	G	33.3	Very low	34.9	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	71%	0.708	S	S	*	*			trans	121.6	105.6	159	0	0	0	0	0	111.5
415	A	30.8	Very low	34.6	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	71%	0.707	S	S	*	*			cis	86.2	145.4	31.6	0	0	0	0	0	115.1
416	T	29	Very low	34.5	Very low	129 Å²	129	126.1 Å²	126.1	79%	0.791	71%	0.706	S	S	*	*			trans	67.9	147.6	168.8	35	0	0	0	0	119.8
417	E	29.8	Very low	34.3	Very low	172 Å²	172	128.1 Å²	128.1	80%	0.804	71%	0.708	S	S	*	*			trans	65.4	118	159.7	-69.1	164.9	-178.8	0	0	116.8
418	S	28.8	Very low	34	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	71%	0.708	S	S	*	*				82.1	139.6	54.5	87.8	0	0	0	0	113.4
419	G	30.9	Very low	33.9	Very low	63 Å²	63	127.6 Å²	127.6	65%	0.649	71%	0.713	S	S	*	*			trans	126.5	96.4	-163	0	0	0	0	0	108.3
420	I	30.4	Very low	33.8	Very low	149 Å²	149	125 Å²	125	76%	0.764	71%	0.706	S	S	*	*				75.9	134.3	51.8	-53.3	169.6	0	0	0	111.6
421	H	35.4	Very low	33.9	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.787	72%	0.72	S	S	*	*			trans	69.7	141.6	175.5	-74.5	-63.1	0	0	0	118
422	S	33.2	Very low	33.7	Very low	71 Å²	71	128.4 Å²	128.4	50%	0.497	72%	0.717	S	S	.	*			cis	-179.4	-178.3	-39.5	43.2	0	0	0	0	109.2
423	D	35.5	Very low	33.5	Very low	126 Å²	126	126.3 Å²	126.3	67%	0.674	72%	0.721	S	S	*	*			trans	71	153.3	146.2	-57.2	-27.5	0	0	0	119.6
424	H	38.4	Very low	33.5	Very low	143 Å²	143	120.7 Å²	120.7	66%	0.662	72%	0.716	S	S	*	*			cis	-145.1	121	-20.8	-125.1	-93.9	0	0	0	103.1
425	E	33.7	Very low	33.5	Very low	117 Å²	117	122.7 Å²	122.7	55%	0.547	71%	0.714	S	S	.	*				101.5	168	90.6	-158.2	-140.4	134	0	0	112.6	R427	E425-R427 IonicContact OE1-CZ 3.53Å; E425-R427 VanDerWaalsContact OE1-CZ 3.29Å; E425-R427 IonicContact OE1-NE 3.08Å; E425-R427 PolarHBondContact OE1-NE 3.18Å; E425-R427 VanDerWaalsContact OE1-NE 3.08Å; E425-R427 IonicContact OE1-NH2 2.87Å; E425-R427 PolarHBondContact OE1-NH2 3.37Å
426	I	35.9	Very low	33.6	Very low	132 Å²	132	125 Å²	125	68%	0.677	71%	0.714	S	S	*	*			trans	77.4	112.1	175.2	-48.2	-172.1	0	0	0	115.5
427	R	35.6	Very low	33.7	Very low	179 Å²	179	127.2 Å²	127.2	68%	0.675	71%	0.713	S	S	*	*			cis	-169.1	153.2	-19.2	-122.5	163.6	-125.6	170.6	1.5	110.9	E425	E425-R427 IonicContact OE1-CZ 3.53Å; E425-R427 VanDerWaalsContact OE1-CZ 3.29Å; E425-R427 IonicContact OE1-NE 3.08Å; E425-R427 PolarHBondContact OE1-NE 3.18Å; E425-R427 VanDerWaalsContact OE1-NE 3.08Å; E425-R427 IonicContact OE1-NH2 2.87Å; E425-R427 PolarHBondContact OE1-NH2 3.37Å
428	S	33.6	Very low	33.8	Very low	94 Å²	94	125.1 Å²	125.1	66%	0.657	71%	0.707	S	S	*	*			trans	23.5	143.6	139.2	74.2	0	0	0	0	121.3
429	V	36.1	Very low	33.8	Very low	126 Å²	126	125.3 Å²	125.3	76%	0.764	70%	0.704	S	S	*	*			cis	-152.2	114.5	25	-179.4	0	0	0	0	106.9
430	T	35.5	Very low	33.9	Very low	108 Å²	108	128.4 Å²	128.4	66%	0.663	71%	0.709	S	S	*	*				50.4	106.5	82.4	-33.3	0	0	0	0	114.1
431	M	38	Very low	33.9	Very low	186 Å²	186	127.1 Å²	127.1	92%	0.916	71%	0.709	S	S	*	*				-173.2	155.9	87.9	-75.5	-75.2	-169.3	0	0	106.3
432	G	34.7	Very low	33.8	Very low	60 Å²	60	124.3 Å²	124.3	62%	0.619	71%	0.709	S	S	*	*			cis	147.4	106.1	6.6	0	0	0	0	0	106.3
433	S	33.5	Very low	33.7	Very low	120 Å²	120	126.8 Å²	126.8	84%	0.839	72%	0.72	S	S	*	*				65.5	102.9	64.1	-60.5	0	0	0	0	114.5
434	C	32	Very low	33.5	Very low	115 Å²	115	128.5 Å²	128.5	78%	0.777	73%	0.73	S	S	*	*			trans	-173.4	116.4	149	-177.3	0	0	0	0	106.8
435	T	33.5	Very low	33	Very low	113 Å²	113	126.4 Å²	126.4	69%	0.693	73%	0.731	S	S	*	*			cis	61.1	85.7	-3.9	50.9	0	0	0	0	118.1
436	N	32.8	Very low	32.9	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	75%	0.748	S	S	*	*			trans	-167.1	152.2	137.7	-91.2	-21.2	0	0	0	109.2
437	F	31.1	Very low	32.7	Very low	176 Å²	176	131.4 Å²	131.4	77%	0.772	75%	0.753	S	S	*	*			cis	133.3	162	4	-121.5	-84.6	0	0	0	107.1
438	N	30.8	Very low	32.7	Very low	127 Å²	127	130.2 Å²	130.2	68%	0.679	76%	0.759	S	S	*	*			trans	85.6	119.7	166.3	-62.7	-41	0	0	0	117.3
439	T	29.8	Very low	33	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	76%	0.764	S	S	*	*				77.8	125.6	66.5	-52.3	0	0	0	0	108.7
440	V	32.5	Very low	33.1	Very low	127 Å²	127	130.9 Å²	130.9	77%	0.77	76%	0.764	S	S	*	*				-155.8	153.2	77.2	165.9	0	0	0	0	111.9
441	T	31.2	Very low	33.2	Very low	122 Å²	122	134.1 Å²	134.1	75%	0.748	77%	0.771	S	S	*	*			trans	-42.3	156.7	170.3	60	0	0	0	0	116.8
442	S	32.1	Very low	33.5	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	77%	0.766	S	S	*	*				-174.4	147.2	105.4	-164.5	0	0	0	0	113.6
443	V	30.6	Very low	33.6	Very low	123 Å²	123	133.5 Å²	133.5	75%	0.745	77%	0.773	S	S	*	*			trans	-69	144.4	171.1	-76.4	0	0	0	0	112.7
444	N	32.4	Very low	33.9	Very low	162 Å²	162	132.6 Å²	132.6	87%	0.866	76%	0.764	S	S	*	*				-157.9	154.2	113.4	-129.6	-28.2	0	0	0	113.3
445	S	28.2	Very low	34	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	77%	0.766	S	S	*	*			trans	-101.9	149.1	-178	-51.8	0	0	0	0	111.6
446	R	31.4	Very low	33.9	Very low	240 Å²	240	137.7 Å²	137.7	91%	0.906	77%	0.769	S	S	*	*			trans	176.7	150.8	131.2	-98.5	159.4	-167.7	-142.2	2.8	115.8
447	S	31.7	Very low	34	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	77%	0.773	S	S	*	*			trans	58.4	116.2	150.6	52.3	0	0	0	0	121.7
448	I	35.5	Very low	34	Very low	154 Å²	154	137.8 Å²	137.8	79%	0.79	77%	0.77	S	S	*	*			trans	-77.2	153.6	163	-63.2	152.2	0	0	0	110.7	P450	I448-P450 HydrophobicContact CG2-CB 4.5Å
449	P	39.8	Very low	34.6	Very low	118 Å²	118	138 Å²	138	77%	0.766	78%	0.778	S	S	*	*			trans	-113.4	143.8	138	34.5	-29.9	0	0	0	111.9
450	P	38.4	Very low	34.8	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	78%	0.777	S	S	*	*			trans	-101	175.5	-157.4	39.6	-38.6	0	0	0	116.5	I448	I448-P450 HydrophobicContact CG2-CB 4.5Å
451	H	36.3	Very low	34.7	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.815	78%	0.779	S	S	*	*			trans	-50.9	160.9	167.4	-82.2	-85.8	0	0	0	114.7
452	P	45.1	Very low	34.9	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	78%	0.778	S	S	*	*				-115.9	128.1	128	34	-30.1	0	0	0	112.8
453	S	37.4	Very low	34.9	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	77%	0.773	S	S	*	*			trans	-139.5	121.7	149.9	-178.7	0	0	0	0	106.3
454	P	40.1	Very low	35	Very low	100 Å²	100	138 Å²	138	65%	0.649	78%	0.78	S	S	*	*				-135.3	-179.7	115.7	20.1	3.3	0	0	0	110
455	Y	33.9	Very low	35	Very low	210 Å²	210	134.6 Å²	134.6	82%	0.824	77%	0.769	S	S	*	*			cis	-150.1	151	37	-122.9	-84.7	0	0	0	113.2
456	V	31.1	Very low	35.2	Very low	125 Å²	125	134 Å²	134	76%	0.758	77%	0.765	S	S	*	*			trans	-100.1	134.1	165.9	172.3	0	0	0	0	108.6
457	M	33.8	Very low	35.3	Very low	169 Å²	169	132.9 Å²	132.9	83%	0.833	76%	0.76	S	S	*	*			trans	-135.6	127.2	156.5	-74.6	-151.9	75.7	0	0	111.4
458	Q	31.3	Very low	35.5	Very low	149 Å²	149	134 Å²	134	70%	0.696	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-76.6	160.9	158	-59.6	168.8	-59.8	0	0	109.1
459	P	43.9	Very low	35.5	Very low	132 Å²	132	131.7 Å²	131.7	86%	0.857	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-100.1	129.9	136.4	-16.3	32.6	0	0	0	110.7
460	T	34.4	Very low	35.3	Very low	113 Å²	113	133.3 Å²	133.3	69%	0.693	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-88.9	164.3	173.5	42.2	0	0	0	0	112.1
461	S	30.6	Very low	35.2	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.6	-179.3	51.1	0	0	0	0	117
462	S	34.3	Very low	35.2	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	73%	0.733	S	S	*	*			trans	-176.8	108.3	146.7	44.4	0	0	0	0	108.3
463	S	32.9	Very low	34.6	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	73%	0.727	S	S	*	*				83.7	124.4	68.3	71.7	0	0	0	0	114.1
464	L	32.3	Very low	34.4	Very low	171 Å²	171	133 Å²	133	90%	0.895	72%	0.721	S	S	*	*			trans	68.1	153.3	165.6	-59.8	156.1	0	0	0	115.2
465	S	32.9	Very low	34.1	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	72%	0.718	S	S	*	*			cis	-163.5	150.4	-19.7	173.5	0	0	0	0	110.8
466	S	33.1	Very low	34	Very low	87 Å²	87	131.2 Å²	131.2	61%	0.608	72%	0.715	S	S	*	*			trans	54.7	129.3	145.9	59	0	0	0	0	123.5
467	R	32.7	Very low	34.2	Very low	215 Å²	215	130.1 Å²	130.1	81%	0.811	71%	0.709	S	S	*	*			trans	74.3	154.1	138.6	-69.4	169.4	164.8	-132.9	10.1	117.2
468	Q	35	Very low	34.2	Very low	137 Å²	137	128.2 Å²	128.2	64%	0.64	70%	0.702	S	S	*	*			cis	-157	146.8	-2.8	-131.4	164.6	-71.9	0	0	112.4
469	S	35.9	Very low	34.5	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	70%	0.697	S	S	*	*			trans	65.3	166.6	151.1	75.5	0	0	0	0	118.1
470	H	35.6	Very low	34	Very low	153 Å²	153	128.4 Å²	128.4	71%	0.708	69%	0.689	S	S	*	*			cis	-154.9	130.4	2.2	-159.2	-116	0	0	0	111.2
471	L	36.4	Very low	34	Very low	115 Å²	115	128.9 Å²	128.9	60%	0.602	69%	0.692	S	S	*	*			trans	55.1	165.9	156.3	-89.5	57.4	0	0	0	118.9
472	D	35.9	Very low	34.7	Very low	121 Å²	121	127.6 Å²	127.6	65%	0.647	68%	0.681	S	S	*	*			cis	-137.3	133.3	6.6	-121	-32.3	0	0	0	114.3
473	Y	32.7	Very low	34.7	Very low	183 Å²	183	133.7 Å²	133.7	72%	0.718	69%	0.688	S	S	*	*			trans	51.4	109.4	130.5	-91	-122	0	0	0	123.3
474	T	33.8	Very low	34.7	Very low	99 Å²	99	139.2 Å²	139.2	61%	0.607	69%	0.694	S	S	*	*				88.2	152.7	95.5	57.2	0	0	0	0	116.1
475	N	33.3	Very low	35	Very low	112 Å²	112	135.8 Å²	135.8	60%	0.599	68%	0.682	S	S	*	*			cis	-141.8	148.7	-3.3	-112	-22.4	0	0	0	108.3
476	Q	31.8	Very low	35.2	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	69%	0.687	S	S	*	*				47.1	139.8	89.1	-51	-173.7	40.2	0	0	114
477	T	35.7	Very low	35.5	Very low	103 Å²	103	140.2 Å²	140.2	63%	0.632	69%	0.686	S	S	*	*			cis	-163.2	155.1	49	54.5	0	0	0	0	115.2
478	N	34.4	Very low	35.6	Very low	128 Å²	128	137.3 Å²	137.3	68%	0.684	68%	0.681	S	S	*	*			trans	71.6	147.4	140.4	-68.3	-20	0	0	0	120.6
479	Q	36.8	Very low	35.7	Very low	126 Å²	126	134.5 Å²	134.5	59%	0.589	68%	0.676	S	S	*	*			cis	-157.6	143.5	-3.1	-123.8	172.9	95.2	0	0	113.3
480	K	34.3	Very low	35.8	Very low	160 Å²	160	137.2 Å²	137.2	70%	0.696	68%	0.677	S	S	*	*			trans	53	132.1	146.3	-70.9	164.4	-171.2	165.3	0	120.3
481	T	34.2	Very low	35.8	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	68%	0.679	S	S	*	*			cis	67.4	153.7	24.9	83.6	0	0	0	0	116.5
482	P	43.7	Very low	35.9	Very low	90 Å²	90	137.9 Å²	137.9	58%	0.584	69%	0.686	S	S	*	*			cis	-119.8	-161.9	-8.5	37.2	-15.7	0	0	0	110.6
483	W	34.9	Very low	36.1	Very low	232 Å²	232	139.6 Å²	139.6	88%	0.879	70%	0.695	S	S	*	*			cis	-146.1	142.5	40.1	-58.4	79.2	0	0	0	109.3
484	R	32.8	Very low	36.4	Very low	212 Å²	212	136.5 Å²	136.5	80%	0.8	70%	0.697	S	S	*	*			cis	65.2	148	43.2	-101.1	-148.5	179.4	-155.4	0.7	114
485	P	39.6	Very low	37.4	Very low	100 Å²	100	137.6 Å²	137.6	65%	0.649	71%	0.706	S	S	*	*			cis	-145.7	175.3	23.4	46.3	-28.3	0	0	0	119.4
486	Q	37.4	Very low	37.9	Very low	155 Å²	155	137.2 Å²	137.2	72%	0.724	71%	0.71	S	S	*	*			trans	76.1	144.9	154.1	-54.4	-141.1	-53.9	0	0	118.8
487	I	38.3	Very low	38.3	Very low	115 Å²	115	135.5 Å²	135.5	59%	0.59	71%	0.713	S	S	*	*			cis	-150.1	141.6	-3	-123.5	166.3	0	0	0	112.1
488	H	35.8	Very low	38.6	Very low	154 Å²	154	138.3 Å²	138.3	71%	0.713	72%	0.723	S	S	*	*			trans	50.8	122.5	156.4	-64	-162.2	0	0	0	119.9
489	S	36	Very low	38.6	Very low	77 Å²	77	137.7 Å²	137.7	54%	0.538	73%	0.728	S	S	.	*				72	133.7	57.4	79.9	0	0	0	0	113.6
490	H	37.5	Very low	38.9	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.755	74%	0.741	S	S	*	*			cis	-160.4	165.3	39	-90.2	-78.1	0	0	0	114.3
491	L	37.3	Very low	38.9	Very low	142 Å²	142	134 Å²	134	74%	0.743	75%	0.747	S	S	*	*			trans	59.1	123.5	157.9	-86.5	70.7	0	0	0	117.3
492	N	38.4	Very low	39.5	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	75%	0.753	S	S	*	*				86.2	135.1	60.4	-75.9	3.4	0	0	0	115.2
493	N	38.5	Very low	39.4	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	76%	0.755	S	S	*	*			trans	79.3	138.2	169.8	-55.8	-15.4	0	0	0	117.6
494	P	40.9	Very low	39.7	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-94	151	-176.4	36.8	-35.2	0	0	0	113.7
495	P	54.5	Low	39.8	Very low	123 Å²	123	135.7 Å²	135.7	80%	0.799	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-84.3	140.7	171.2	32.9	-32.9	0	0	0	112.7
496	P	44.1	Very low	39.7	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-87.1	166.4	176.3	35.9	-36	0	0	0	113.3
497	P	39	Very low	39.7	Very low	125 Å²	125	136 Å²	136	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-80.4	132	-179.4	31.8	-34.5	0	0	0	113.1
498	L	41.3	Very low	39.5	Very low	162 Å²	162	138.3 Å²	138.3	85%	0.848	77%	0.768	S	S	*	*			trans	-142.6	127.2	174.4	-75	174	0	0	0	112.9
499	S	36.2	Very low	39.4	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	77%	0.773	S	S	*	*			trans	-102.9	179.1	156.5	-53.5	0	0	0	0	108.3
500	P	43.1	Very low	39.4	Very low	130 Å²	130	137.7 Å²	137.7	84%	0.844	78%	0.781	S	S	*	*			cis	-124.4	175	-12.8	40.1	-25.7	0	0	0	113.3
501	G	34.2	Very low	39.4	Very low	80 Å²	80	137.8 Å²	137.8	83%	0.825	79%	0.786	S	S	*	*			trans	179.3	78.9	175	0	0	0	0	0	117.6
502	L	45	Very low	39.7	Very low	169 Å²	169	135.4 Å²	135.4	89%	0.885	78%	0.779	S	S	*	*			trans	-80.3	178	166.9	-90.1	152	0	0	0	111.3
503	P	42.1	Very low	39.8	Very low	96 Å²	96	132.2 Å²	132.2	62%	0.623	77%	0.766	S	S	*	*			cis	-137.8	163	-4.6	33.3	-13.6	0	0	0	117.5
504	R	40.7	Very low	40.7	Very low	225 Å²	225	131.1 Å²	131.1	85%	0.849	77%	0.768	S	S	*	*				168.5	113.8	120.6	-89.4	164.1	-168	-133	1.9	108.8
505	R	35.9	Very low	40.3	Very low	202 Å²	202	132.7 Å²	132.7	76%	0.762	77%	0.77	S	S	*	*				59.7	126.2	89.1	-68	-178.6	-179.1	-114.1	2.9	112.1
506	F	36.9	Very low	39.5	Very low	185 Å²	185	133.9 Å²	133.9	81%	0.811	77%	0.768	S	S	*	*			cis	-128.1	142.6	19	-63.5	-100.1	0	0	0	109.9
507	A	38.9	Very low	38.9	Very low	76 Å²	76	133.4 Å²	133.4	63%	0.628	77%	0.767	S	S	*	*			cis	89.2	97.8	40.4	0	0	0	0	0	113.9
508	D	33.7	Very low	38.7	Very low	164 Å²	164	134 Å²	134	88%	0.877	76%	0.763	S	S	*	*			trans	41.3	107.4	143.7	-47.5	-49.2	0	0	0	120
509	G	33.8	Very low	38.3	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	76%	0.758	S	S	*	*			trans	-125.4	97.1	165.5	0	0	0	0	0	111.3	L511	G509-L511 PolarHBondContact O-N 2.88Å
510	I	34.6	Very low	38.2	Very low	140 Å²	140	133.4 Å²	133.4	72%	0.718	76%	0.757	S	S	*	*			trans	-64.3	127.3	170.7	-63.9	167.9	0	0	0	108.2	P512	I510-P512 VanDerWaalsContact O-CD 3.23Å; I510-P512 WeakPolarHBondContact O-CD 3.28Å
511	L	37.4	Very low	37.7	Very low	165 Å²	165	132.9 Å²	132.9	86%	0.864	75%	0.752	S	S	*	*			trans	-73.4	115.6	167.6	-85.4	169.9	0	0	0	109.7	G509	G509-L511 PolarHBondContact O-N 2.88Å
512	P	44.1	Very low	37.7	Very low	91 Å²	91	136 Å²	136	59%	0.591	75%	0.748	S	S	*	*			trans	-79.1	164.9	168.9	-2	22.8	0	0	0	110	I510	I510-P512 VanDerWaalsContact O-CD 3.23Å; I510-P512 WeakPolarHBondContact O-CD 3.28Å
513	P	41.1	Very low	37.1	Very low	73 Å²	73	134.1 Å²	134.1	47%	0.474	74%	0.735	S	S	.	*			trans	-67.4	149.7	165.2	30.3	-32.9	0	0	0	110.7	H385 D515	H385-P513 WeakPolarHBondContact NE2-CD 3.11Å; H385-P513 WeakPolarHBondContact NE2-CG 3.35Å; P513-D515 PolarHBondContact O-N 3.16Å; P513-D515 VanDerWaalsContact O-N 3.16Å
514	P	56.6	Low	36.7	Very low	134 Å²	134	138.4 Å²	138.4	87%	0.87	74%	0.739	S	S	*	*	S	Bend	trans	-78.4	99	175.5	31.6	-33	0	0	0	110.5
515	D	33.2	Very low	36.4	Very low	151 Å²	151	133 Å²	133	81%	0.807	74%	0.735	S	S	*	*			trans	-143.8	170.2	167.8	-125.5	-36.7	0	0	0	109.5	P513	P513-D515 PolarHBondContact O-N 3.16Å; P513-D515 VanDerWaalsContact O-N 3.16Å
516	I	37.1	Very low	36.4	Very low	147 Å²	147	128.4 Å²	128.4	75%	0.754	73%	0.734	S	S	*	*			trans	80.8	87.5	-174.1	-50.2	176.6	0	0	0	114.6
517	S	32.8	Very low	36.4	Very low	95 Å²	95	125.3 Å²	125.3	66%	0.664	74%	0.735	S	S	*	*			trans	3.9	148.6	135.2	60.5	0	0	0	0	120.9
518	N	34.8	Very low	36.2	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	74%	0.744	S	S	*	*				-157.1	134.9	119.2	-102	-40.9	0	0	0	113.9
519	N	33	Very low	36.4	Very low	137 Å²	137	126.6 Å²	126.6	73%	0.733	74%	0.744	S	S	*	*			trans	33.1	127.7	151.5	-56.5	-25.3	0	0	0	121.3
520	T	33.7	Very low	36.6	Very low	128 Å²	128	128 Å²	128	79%	0.785	74%	0.742	S	S	*	*				-169.8	97.7	101	-70.7	0	0	0	0	112.4
521	T	32.1	Very low	36.9	Very low	119 Å²	119	127 Å²	127	73%	0.73	75%	0.747	S	S	*	*			trans	66.2	157.1	133.9	-41.8	0	0	0	0	121.3
522	I	34.5	Very low	37.3	Very low	146 Å²	146	124.3 Å²	124.3	75%	0.749	74%	0.74	S	S	*	*			trans	78	136.4	174.9	-43.8	-65.5	0	0	0	115.7
523	Q	31.8	Very low	37.1	Very low	129 Å²	129	123.7 Å²	123.7	60%	0.603	74%	0.737	S	S	*	*				-176.6	162.8	-53	179.7	178.1	-6	0	0	107.9
524	Y	35	Very low	37.3	Very low	185 Å²	185	123.7 Å²	123.7	73%	0.725	74%	0.737	S	S	*	*			trans	76.3	118.9	178.6	-60.4	-75.6	0	0	0	115
525	C	33.3	Very low	36.5	Very low	112 Å²	112	120.4 Å²	120.4	76%	0.757	72%	0.722	S	S	*	*				82.2	132.5	62.6	-71.1	0	0	0	0	112.7
526	S	35.6	Very low	36.7	Very low	106 Å²	106	116.9 Å²	116.9	74%	0.741	72%	0.72	S	S	*	*			cis	-155.6	167.3	0.9	-91.8	0	0	0	0	113.1
527	S	36.3	Very low	36.8	Very low	119 Å²	119	115.6 Å²	115.6	83%	0.832	73%	0.725	S	S	*	*			trans	-30.1	140.5	171.8	55.1	0	0	0	0	119.5
528	G	35.6	Very low	37.1	Very low	79 Å²	79	115.8 Å²	115.8	81%	0.814	73%	0.732	S	S	*	*			trans	-157.3	126.3	162.1	0	0	0	0	0	111.4
529	Q	38	Very low	37.4	Very low	188 Å²	188	115.5 Å²	115.5	88%	0.879	74%	0.735	S	S	*	*			trans	-92.1	174.2	-162.8	-56.4	-179.4	14.9	0	0	115.4
530	S	37.9	Very low	37.8	Very low	108 Å²	108	114.9 Å²	114.9	76%	0.755	74%	0.739	S	S	*	*			trans	96.8	96.2	148.1	72.5	0	0	0	0	121
531	S	40.2	Very low	38.2	Very low	119 Å²	119	114.9 Å²	114.9	83%	0.832	74%	0.739	S	S	*	*				56.3	151.2	118.1	-54.5	0	0	0	0	123.4
532	P	47.6	Very low	38.7	Very low	109 Å²	109	114.1 Å²	114.1	71%	0.708	74%	0.735	S	S	*	*			trans	-135.2	-175.2	-147.9	37	-15.6	0	0	0	117.8
533	S	38.8	Very low	39	Very low	77 Å²	77	113.3 Å²	113.3	54%	0.538	74%	0.737	S	S	.	*			trans	99.2	167.3	153.8	-22.3	0	0	0	0	117.4
534	P	46.5	Very low	39.3	Very low	73 Å²	73	113.4 Å²	113.4	47%	0.474	75%	0.749	S	S	.	*				-139.1	155.5	-107.4	35.7	-13.8	0	0	0	117.1	S334	S334-P534 WeakPolarHBondContact CB-O 3.46Å; S334-P534 PolarHBondContact OG-O 2.96Å
535	A	39.3	Very low	39.6	Very low	66 Å²	66	115.9 Å²	115.9	55%	0.545	76%	0.758	S	S	.	*			trans	-165.2	150	164.5	0	0	0	0	0	114.1
536	G	37.1	Very low	39.8	Very low	76 Å²	76	121.3 Å²	121.3	78%	0.784	76%	0.762	S	S	*	*			trans	137.2	131.9	159	0	0	0	0	0	114.7
537	S	38.2	Very low	40	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	77%	0.766	S	S	*	*			trans	-119.4	168.9	-176.9	59.8	0	0	0	0	113.1
538	A	39.3	Very low	39.9	Very low	99 Å²	99	123.7 Å²	123.7	82%	0.818	76%	0.759	S	S	*	*			trans	89	146.4	159.5	0	0	0	0	0	118.9
539	T	41.8	Very low	40	Very low	129 Å²	129	127.9 Å²	127.9	79%	0.791	76%	0.762	S	S	*	*			trans	-82.5	168.8	-177.2	50.1	0	0	0	0	112.5
540	P	40.8	Very low	40	Very low	124 Å²	124	123.9 Å²	123.9	81%	0.805	76%	0.761	S	S	*	*				-141.1	155.4	106.1	37.6	-25.8	0	0	0	116.3
541	V	42.4	Very low	39.7	Very low	129 Å²	129	122.6 Å²	122.6	78%	0.782	77%	0.765	S	S	*	*			trans	-98.1	139.1	157.8	179	0	0	0	0	104.2
542	P	41.8	Very low	39.4	Very low	102 Å²	102	123.4 Å²	123.4	66%	0.662	77%	0.765	S	S	*	*				-160.5	-178.7	67.9	42	-18.9	0	0	0	120.1
543	T	42.7	Very low	38.9	Very low	129 Å²	129	124 Å²	124	79%	0.791	77%	0.769	S	S	*	*			trans	69.1	134.8	150.8	40	0	0	0	0	121.5
544	P	37.6	Very low	38.5	Very low	132 Å²	132	125.3 Å²	125.3	86%	0.857	78%	0.778	S	S	*	*			trans	-92.8	161.6	174.1	38.2	-35.1	0	0	0	113.4
545	R	40.7	Very low	37.7	Very low	237 Å²	237	127.2 Å²	127.2	89%	0.894	79%	0.792	S	S	*	*			trans	-127.5	153	166.9	-161.6	172.8	-174.3	125.2	1.3	110.5
546	R	37.7	Very low	37.4	Very low	226 Å²	226	131.8 Å²	131.8	85%	0.853	80%	0.802	S	S	*	*			trans	-124.9	121.9	-169.5	168.1	-166.3	177.9	-171.8	0.6	110.3
547	E	40	Very low	37	Very low	175 Å²	175	140 Å²	140	82%	0.818	81%	0.809	S	S	*	*			trans	-172.8	124.1	153.7	-95.4	136.5	-133.4	0	0	104.9
548	S	34.1	Very low	36.6	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	79%	0.794	S	S	*	*			cis	87.9	83.5	41.7	-174.8	0	0	0	0	114.1
549	L	37.9	Very low	36.2	Very low	166 Å²	166	140.1 Å²	140.1	87%	0.869	80%	0.795	S	S	*	*				175.8	152.3	126.3	-94.9	160.8	0	0	0	113.3
550	A	37.2	Very low	35.6	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	79%	0.792	S	S	*	*			trans	56.4	135.5	161.6	0	0	0	0	0	120.9
551	G	33.1	Very low	35.1	Very low	81 Å²	81	140.5 Å²	140.5	84%	0.835	79%	0.791	S	S	*	*			trans	130.8	58.6	158.4	0	0	0	0	0	119
552	T	33.8	Very low	34.6	Very low	136 Å²	136	142.7 Å²	142.7	83%	0.834	80%	0.796	S	S	*	*			trans	-119.2	144.4	158.8	52.5	0	0	0	0	108.6
553	P	35.8	Very low	34.1	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	80%	0.801	S	S	*	*				-120.2	147.1	70.1	4.8	18.6	0	0	0	112.9
554	S	31.8	Very low	33.6	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	79%	0.793	S	S	*	*				59.4	97.1	75.3	-173.4	0	0	0	0	114.3
555	C	29	Very low	33.4	Very low	113 Å²	113	143.3 Å²	143.3	76%	0.764	79%	0.786	S	S	*	*			trans	-142.4	105.3	155	-93.9	0	0	0	0	111.7
556	Q	32	Very low	33	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	78%	0.779	S	S	*	*				54.2	87.4	128.5	-60.9	176.4	7.3	0	0	118.6
557	R	28.4	Very low	32.8	Very low	249 Å²	249	132.9 Å²	132.9	94%	0.94	77%	0.769	S	S	*	*			trans	-86.3	93.2	134.3	177.6	172	-72.5	-143.9	-2.1	107.4	V559	R557-V559 PolarHBondContact O-N 2.87Å
558	T	31.2	Very low	32.5	Very low	85 Å²	85	130.9 Å²	130.9	52%	0.521	76%	0.764	S	S	.	*			trans	-74.9	120	-175	-34.9	0	0	0	0	110.8	L560	T558-L560 HydrophobicContact CG2-CD1 4.22Å; T558-L560 HydrophobicContact CG2-CD2 4.03Å; T558-L560 HydrophobicContact CG2-CG 3.75Å
559	V	29.6	Very low	32.5	Very low	138 Å²	138	133.9 Å²	133.9	84%	0.836	77%	0.772	S	S	*	*			trans	-76.6	119.9	159.2	177.6	0	0	0	0	106.9	R557	R557-V559 PolarHBondContact O-N 2.87Å
560	L	30.8	Very low	32.5	Very low	140 Å²	140	131.9 Å²	131.9	73%	0.733	77%	0.766	S	S	*	*			trans	-127.5	142.8	169.6	-71.3	177.6	0	0	0	109.5	T558	T558-L560 HydrophobicContact CG2-CD1 4.22Å; T558-L560 HydrophobicContact CG2-CD2 4.03Å; T558-L560 HydrophobicContact CG2-CG 3.75Å
561	P	30.4	Very low	32.3	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	76%	0.764	S	S	*	*			trans	-82.5	146.6	-167.5	32.8	-35.9	0	0	0	112.6
562	I	30.8	Very low	32.3	Very low	174 Å²	174	136.6 Å²	136.6	89%	0.892	76%	0.755	S	S	*	*			trans	-80.5	117.2	161.2	-61.4	173.4	0	0	0	107.5
563	N	31.1	Very low	32.5	Very low	143 Å²	143	136.1 Å²	136.1	77%	0.765	75%	0.751	S	S	*	*			trans	-138.7	149	147	-157.9	-3.5	0	0	0	110.5
564	T	33.6	Very low	32.3	Very low	99 Å²	99	137.5 Å²	137.5	61%	0.607	75%	0.752	S	S	*	*			trans	-57.3	143.7	-171.3	53.8	0	0	0	0	114.9
565	N	31.9	Very low	32.6	Very low	135 Å²	135	137.4 Å²	137.4	72%	0.722	75%	0.752	S	S	*	*				-178.8	146.2	98.5	-92.1	-58.8	0	0	0	112.4
566	N	32.5	Very low	32.9	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	75%	0.751	S	S	*	*			trans	55.4	137.8	155	-75.5	-0.1	0	0	0	120.5
567	T	33.9	Very low	32.9	Very low	102 Å²	102	133.6 Å²	133.6	63%	0.626	76%	0.757	S	S	*	*			cis	-168	167.3	-18.2	5	0	0	0	0	107.4
568	N	34.9	Very low	33.6	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	75%	0.748	S	S	*	*			trans	58.7	86.2	157	-53.9	-14.8	0	0	0	117.5
569	N	33.7	Very low	34	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	76%	0.761	S	S	*	*				179.3	54.6	112	-85.5	-12.1	0	0	0	111.5
570	V	36.7	Very low	35.1	Very low	125 Å²	125	129.3 Å²	129.3	76%	0.758	75%	0.748	S	S	*	*			trans	-80.6	132.3	161.1	177	0	0	0	0	107.5	I572	V570-I572 VanDerWaalsContact C-N 3.34Å; V570-I572 PolarHBondContact O-N 3.37Å
571	I	34.2	Very low	36.1	Very low	161 Å²	161	127.6 Å²	127.6	83%	0.826	75%	0.746	S	S	*	*			trans	-74.2	93.5	170.2	-61.8	177.1	0	0	0	107.2	V573	I571-V573 PolarHBondContact O-N 2.84Å
572	I	32.9	Very low	38	Very low	124 Å²	124	128.2 Å²	128.2	64%	0.636	75%	0.749	S	S	*	*			trans	-71.4	110	-178	-59.1	172.2	0	0	0	108.9	V570 N574	V570-I572 VanDerWaalsContact C-N 3.34Å; V570-I572 PolarHBondContact O-N 3.37Å; I572-N574 VanDerWaalsContact CG2-OD1 3.25Å; I572-N574 WeakPolarHBondContact CG2-OD1 3.34Å; I572-N574 PolarHBondContact O-N 3.11Å; I572-N574 VanDerWaalsContact O-N 3.13Å
573	V	37.5	Very low	40.2	Very low	125 Å²	125	122.3 Å²	122.3	76%	0.758	72%	0.719	S	S	*	*			trans	-74.7	98.2	163.5	-167.5	0	0	0	0	107	I571 S575	I571-V573 PolarHBondContact O-N 2.84Å; V573-S575 PolarHBondContact O-N 3.42Å
574	N	32.1	Very low	42.5	Very low	151 Å²	151	118.1 Å²	118.1	81%	0.807	70%	0.704	S	S	*	*			trans	-70.4	75.4	-176.5	-96.2	-19.4	0	0	0	112.1	I572	I572-N574 VanDerWaalsContact CG2-OD1 3.25Å; I572-N574 WeakPolarHBondContact CG2-OD1 3.34Å; I572-N574 PolarHBondContact O-N 3.11Å; I572-N574 VanDerWaalsContact O-N 3.13Å
575	S	36.6	Very low	44.8	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	70%	0.695	S	S	*	*			trans	-89.6	113.7	159.4	-70	0	0	0	0	108.4	V573 G577	V573-S575 PolarHBondContact O-N 3.42Å; S575-G577 PolarHBondContact O-N 3.22Å
576	S	36.8	Very low	47.1	Very low	108 Å²	108	111.8 Å²	111.8	76%	0.755	67%	0.666	S	S	*	*			trans	-45.8	124.6	-176.4	50.6	0	0	0	0	113.1	V578	S576-V578 PolarHBondContact O-N 2.77Å
577	G	31.9	Very low	49	Very low	85 Å²	85	109 Å²	109	88%	0.876	66%	0.657	S	S	*	*			trans	-64.9	95.2	-175.6	0	0	0	0	0	113.5	S575	S575-G577 PolarHBondContact O-N 3.22Å
578	V	42.5	Very low	50.6	Low	122 Å²	122	112 Å²	112	74%	0.739	66%	0.663	S	S	*	*			trans	-89.9	108.5	164.3	179.2	0	0	0	0	107.1	S576	S576-V578 PolarHBondContact O-N 2.77Å
579	H	39.9	Very low	51.5	Low	174 Å²	174	115.7 Å²	115.7	81%	0.806	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-56.7	132.2	163.7	-100.3	-91.5	0	0	0	108.1
580	P	52.2	Low	52.6	Low	87 Å²	87	110.7 Å²	110.7	57%	0.565	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.7	171.2	25.8	-33.3	0	0	0	108.6
581	P	52.9	Low	53.5	Low	104 Å²	104	107 Å²	107	68%	0.675	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.5	146.1	177.6	25.8	-34.4	0	0	0	109.7	I583	P581-I583 PolarHBondContact O-N 3.04Å
582	P	69.4	Low	54.5	Low	133 Å²	133	99.6 Å²	99.6	86%	0.864	58%	0.584	S	S	*	*			trans	-58.3	115.4	-176.1	23.5	-33.6	0	0	0	110.4
583	I	77.1	Confident	55.4	Low	50 Å²	50	98.1 Å²	98.1	26%	0.256	58%	0.577	S	S	.	*			trans	-75	125.4	178.8	-66.4	162.1	0	0	0	108	P581 T585 T944 P1118 L1119 V1122	P581-I583 PolarHBondContact O-N 3.04Å; I583-T585 PolarHBondContact O-N 2.82Å; I583-T585 VanDerWaalsContact O-N 3.11Å; I583-T944 HydrophobicContact CG2-CG2 4.39Å; I583-P1118 HydrophobicContact CD1-CB 3.63Å; I583-P1118 WeakPolarHBondContact CD1-O 3.39Å; I583-P1118 HydrophobicContact CG1-CB 4.48Å; I583-L1119 HydrophobicContact CG1-CD2 4.31Å; I583-L1119 HydrophobicContact CG2-CD2 3.51Å; I583-V1122 HydrophobicContact CB-CG2 4.49Å; I583-V1122 HydrophobicContact CD1-CG2 3.55Å; I583-V1122 HydrophobicContact CG2-CG2 4.39Å
584	A	79.5	Confident	56.1	Low	55 Å²	55	96 Å²	96	46%	0.455	56%	0.556	S	S	.	*			trans	-75	100.8	174.9	0	0	0	0	0	109.7	L945	A584-L945 HydrophobicContact CB-CB 4.24Å; A584-L945 HydrophobicContact CB-CD1 4.13Å; A584-L945 PolarHBondContact O-N 3.14Å
585	T	80.9	Confident	56.8	Low	66 Å²	66	90.9 Å²	90.9	41%	0.405	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-74	150.9	168.3	51.1	0	0	0	0	110.8	I583 E943 V1122	I583-T585 PolarHBondContact O-N 2.82Å; I583-T585 VanDerWaalsContact O-N 3.11Å; T585-E943 CarbonylContact C-O 3.5Å; T585-E943 VanDerWaalsContact CA-O 3.3Å; T585-E943 WeakPolarHBondContact CA-O 3.4Å; T585-V1122 HydrophobicContact CG2-CG1 3.81Å
586	R	80.3	Confident	56.8	Low	35 Å²	35	92.6 Å²	92.6	13%	0.132	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-69	134.8	173.5	-95.9	-166.9	163.8	-137.7	-9.1	111.8	T590 E943 L945 I1043 D1044	R586-T590 PolarHBondContact NH1-O 3.31Å; R586-E943 PolarHBondContact N-O 2.73Å; R586-L945 HydrophobicContact CG-CD2 3.61Å; R586-L945 HydrophobicContact CG-CG 4.17Å; R586-I1043 PolarHBondContact NH2-O 3.44Å; R586-D1044 VanDerWaalsContact CZ-C 3.45Å; R586-D1044 PolarHBondContact NH1-O 3.17Å; R586-D1044 PolarHBondContact NH2-O 3.38Å
587	P	74.3	Confident	56.6	Low	84 Å²	84	92.9 Å²	92.9	55%	0.545	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-55.5	141	166	-24.4	33.6	0	0	0	110.8	K589 T590 K591	P587-K589 PolarHBondContact O-N 3.39Å; P587-K589 VanDerWaalsContact O-N 3.08Å; P587-T590 WeakPolarHBondContact CD-OG1 3.3Å; P587-T590 WeakPolarHBondContact O-CA 3.38Å; P587-T590 PolarHBondContact O-N 3.01Å; P587-T590 PolarHBondContact O-OG1 3.41Å; P587-K591 PolarHBondContact O-N 3.36Å
588	E	66.5	Low	56.7	Low	164 Å²	164	97 Å²	97	77%	0.766	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-55.7	-34.5	-174.1	-63	-173.5	138.9	0	0	113.8	T590 K591	E588-T590 PolarHBondContact O-N 2.9Å; E588-K591 WeakPolarHBondContact O-CB 3.33Å; E588-K591 PolarHBondContact O-N 2.97Å; E588-K591 VanDerWaalsContact O-N 3.12Å
589	K	54.7	Low	56.1	Low	212 Å²	212	94.1 Å²	94.1	92%	0.922	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-63.9	-8.5	174.5	-61.3	-175.5	179.4	-177.8	0	114.7	P587	P587-K589 PolarHBondContact O-N 3.39Å; P587-K589 VanDerWaalsContact O-N 3.08Å
590	T	55.6	Low	55.6	Low	56 Å²	56	89.6 Å²	89.6	34%	0.344	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-119.6	3.4	178.8	65.6	0	0	0	0	112.8	R586 P587 E588 S592	R586-T590 PolarHBondContact NH1-O 3.31Å; P587-T590 WeakPolarHBondContact CD-OG1 3.3Å; P587-T590 WeakPolarHBondContact O-CA 3.38Å; P587-T590 PolarHBondContact O-N 3.01Å; P587-T590 PolarHBondContact O-OG1 3.41Å; E588-T590 PolarHBondContact O-N 2.9Å; T590-S592 PolarHBondContact O-N 2.96Å
591	K	56.5	Low	54.6	Low	49 Å²	49	88.3 Å²	88.3	21%	0.213	52%	0.524	C	S	.	.	S	Bend	trans	-66.9	128.2	166.8	-68.6	-176.4	174.6	-150.3	0	108	P587 E588 E943	P587-K591 PolarHBondContact O-N 3.36Å; E588-K591 WeakPolarHBondContact O-CB 3.33Å; E588-K591 PolarHBondContact O-N 2.97Å; E588-K591 VanDerWaalsContact O-N 3.12Å; K591-E943 WeakPolarHBondContact CE-OE1 3.39Å; K591-E943 WeakPolarHBondContact CE-OE2 3.22Å; K591-E943 IonicContact NZ-OE1 2.84Å; K591-E943 PolarHBondContact NZ-OE1 3.15Å; K591-E943 IonicContact NZ-OE2 2.6Å; K591-E943 PolarHBondContact NZ-OE2 2.87Å
592	S	54.5	Low	53.6	Low	4 Å²	4	90.6 Å²	90.6	3%	0.028	53%	0.531	C	S	.	.			trans	-65.2	156.8	-170.4	-173.5	0	0	0	0	112.3	T590 Y594 T595 G1045 L1050	T590-S592 PolarHBondContact O-N 2.96Å; S592-Y594 PolarHBondContact O-N 2.97Å; S592-Y594 WeakPolarHBondContact OG-CD2 3.34Å; S592-Y594 WeakPolarHBondContact OG-CE2 3.43Å; S592-T595 PolarHBondContact O-N 2.91Å; S592-T595 PolarHBondContact O-OG1 2.88Å; S592-G1045 WeakPolarHBondContact CB-O 3.49Å; S592-L1050 WeakPolarHBondContact OG-CD2 3.08Å
593	I	51.6	Low	52	Low	94 Å²	94	92.3 Å²	92.3	48%	0.482	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-54.7	-22.1	-179.6	-40.9	-179	0	0	0	111.6	T595 Q596 L1050 N1051	I593-T595 PolarHBondContact O-N 3.23Å; I593-Q596 PolarHBondContact O-N 2.8Å; I593-L1050 HydrophobicContact CB-CD2 4.49Å; I593-L1050 HydrophobicContact CD1-CG 4.34Å; I593-L1050 HydrophobicContact CG1-CD2 4.35Å; I593-N1051 HydrophobicContact CD1-CB 4.27Å
594	Y	52.5	Low	50	Low	80 Å²	80	96.5 Å²	96.5	31%	0.314	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-52	-30.3	171.9	-56.6	-50.3	0	0	0	115.2	S592 T938 T942 W1015 P1047 L1050	S592-Y594 PolarHBondContact O-N 2.97Å; S592-Y594 WeakPolarHBondContact OG-CD2 3.34Å; S592-Y594 WeakPolarHBondContact OG-CE2 3.43Å; Y594-T938 HydrophobicContact CD2-CG2 4.02Å; Y594-T938 HydrophobicContact CE2-CG2 4.42Å; Y594-T942 HydrophobicContact CD2-CG2 4.09Å; Y594-W1015 WeakPolarHBondContact OH-CH2 3.42Å; Y594-P1047 VanDerWaalsContact OH-CD 3.24Å; Y594-P1047 WeakPolarHBondContact OH-CD 3.32Å; Y594-P1047 WeakPolarHBondContact OH-CG 3.16Å; Y594-L1050 HydrophobicContact CD2-CD2 4.46Å; Y594-L1050 HydrophobicContact CE1-CD1 3.86Å; Y594-L1050 HydrophobicContact CE1-CD2 4.1Å; Y594-L1050 HydrophobicContact CE2-CD2 3.83Å; Y594-L1050 VanDerWaalsContact OH-CD1 3.32Å; Y594-L1050 WeakPolarHBondContact OH-CD1 3.41Å
595	T	46.7	Very low	47.6	Very low	44 Å²	44	98.8 Å²	98.8	27%	0.27	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-90.9	1.3	-177.2	67.8	0	0	0	0	113.8	S592 I593 P597	S592-T595 PolarHBondContact O-N 2.91Å; S592-T595 PolarHBondContact O-OG1 2.88Å; I593-T595 PolarHBondContact O-N 3.23Å; T595-P597 VanDerWaalsContact O-CD 3.28Å; T595-P597 WeakPolarHBondContact O-CD 3.35Å
596	Q	36.3	Very low	45.3	Very low	138 Å²	138	101.4 Å²	101.4	65%	0.645	58%	0.582	S	S	*	*	S	Bend	trans	-87.6	109.2	173.5	-72	-71.6	-18	0	0	109.9	I593 I598	I593-Q596 PolarHBondContact O-N 2.8Å; Q596-I598 PolarHBondContact O-N 3.17Å; Q596-I598 VanDerWaalsContact O-N 3.16Å
597	P	32.5	Very low	42.9	Very low	115 Å²	115	104.9 Å²	104.9	75%	0.747	62%	0.619	S	S	*	*			trans	-65.3	118.9	171.9	27.5	-32.8	0	0	0	108.9	T595 G599	T595-P597 VanDerWaalsContact O-CD 3.28Å; T595-P597 WeakPolarHBondContact O-CD 3.35Å; P597-G599 PolarHBondContact O-N 3.07Å
598	I	33.5	Very low	41	Very low	171 Å²	171	108.9 Å²	108.9	88%	0.877	63%	0.63	S	S	*	*			trans	-71	83.1	178.7	-53.8	177.7	0	0	0	109.1	Q596	Q596-I598 PolarHBondContact O-N 3.17Å; Q596-I598 VanDerWaalsContact O-N 3.16Å
599	G	31.6	Very low	39.2	Very low	61 Å²	61	105.8 Å²	105.8	63%	0.629	63%	0.626	S	S	*	*			trans	-61.5	132	162.3	0	0	0	0	0	109.2	P597 G601	P597-G599 PolarHBondContact O-N 3.07Å; G599-G601 PolarHBondContact O-N 3.29Å
600	G	28.7	Very low	38.2	Very low	79 Å²	79	105.2 Å²	105.2	81%	0.814	62%	0.624	S	S	*	*			trans	-67.7	93.1	-179.2	0	0	0	0	0	111.7	D602	G600-D602 PolarHBondContact O-N 2.58Å
601	G	30.7	Very low	37	Very low	61 Å²	61	109.1 Å²	109.1	63%	0.629	64%	0.643	S	S	*	*			trans	-82.4	98.8	168.7	0	0	0	0	0	110.5	G599 I603	G599-G601 PolarHBondContact O-N 3.29Å; G601-I603 VanDerWaalsContact O-CG1 3.27Å; G601-I603 WeakPolarHBondContact O-CG1 3.28Å; G601-I603 PolarHBondContact O-N 2.84Å
602	D	31.8	Very low	35.9	Very low	152 Å²	152	114 Å²	114	81%	0.813	67%	0.672	S	S	*	*			trans	-67.4	94	170.2	-77.6	-48.9	0	0	0	110.1	G600 N604	G600-D602 PolarHBondContact O-N 2.58Å; D602-N604 PolarHBondContact O-N 2.87Å
603	I	35.9	Very low	35.1	Very low	169 Å²	169	118.1 Å²	118.1	87%	0.867	70%	0.701	S	S	*	*			trans	-78.1	46.5	-177.3	-30	-178.7	0	0	0	112.3	G601 S605	G601-I603 VanDerWaalsContact O-CG1 3.27Å; G601-I603 WeakPolarHBondContact O-CG1 3.28Å; G601-I603 PolarHBondContact O-N 2.84Å; I603-S605 PolarHBondContact O-N 3.15Å; I603-S605 VanDerWaalsContact O-N 3.17Å
604	N	34.7	Very low	34.3	Very low	138 Å²	138	120 Å²	120	74%	0.738	71%	0.712	S	S	*	*			trans	-84.2	86.4	174	-89.9	-26	0	0	0	111.4	D602 T606	D602-N604 PolarHBondContact O-N 2.87Å; N604-T606 PolarHBondContact O-N 3Å
605	S	30.4	Very low	33.5	Very low	103 Å²	103	123 Å²	123	72%	0.72	73%	0.733	S	S	*	*			trans	24.5	93.7	142.2	59.2	0	0	0	0	117.7	I603	I603-S605 PolarHBondContact O-N 3.15Å; I603-S605 VanDerWaalsContact O-N 3.17Å
606	T	32.4	Very low	33	Very low	120 Å²	120	126 Å²	126	74%	0.736	76%	0.756	S	S	*	*			trans	-143.4	89.9	147.8	-57.8	0	0	0	0	110	N604 Q608	N604-T606 PolarHBondContact O-N 3Å; T606-Q608 HydrophobicContact CG2-CB 4.3Å; T606-Q608 HydrophobicContact CG2-CG 4.13Å; T606-Q608 PolarHBondContact O-N 3.13Å
607	A	30.1	Very low	32.8	Very low	108 Å²	108	123.9 Å²	123.9	89%	0.893	76%	0.756	S	S	*	*			trans	-86.1	99.4	161.3	0	0	0	0	0	108
608	Q	33.1	Very low	32.9	Very low	169 Å²	169	124.4 Å²	124.4	79%	0.79	76%	0.757	S	S	*	*			trans	-130.2	136.5	166.9	-77.2	-164.7	-20.6	0	0	110.7	T606	T606-Q608 HydrophobicContact CG2-CB 4.3Å; T606-Q608 HydrophobicContact CG2-CG 4.13Å; T606-Q608 PolarHBondContact O-N 3.13Å
609	S	30	Very low	32.8	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	75%	0.75	S	S	*	*			trans	-79.7	138.2	-176.4	53.5	0	0	0	0	112.3
610	F	34	Very low	33	Very low	200 Å²	200	125.7 Å²	125.7	88%	0.877	76%	0.758	S	S	*	*			trans	-134.3	120.1	145.3	-83.3	-76.7	0	0	0	109.6
611	N	30	Very low	33.5	Very low	138 Å²	138	130 Å²	130	74%	0.738	76%	0.757	S	S	*	*			trans	-90.5	179.1	168.6	-79.2	-10.3	0	0	0	109.7
612	N	33.6	Very low	33.7	Very low	152 Å²	152	131.4 Å²	131.4	81%	0.813	76%	0.757	S	S	*	*			trans	75.5	144.2	177.6	-43.8	-8.9	0	0	0	110
613	S	36.2	Very low	33.9	Very low	91 Å²	91	130.7 Å²	130.7	64%	0.636	76%	0.758	S	S	*	*			cis	165	156.1	4.9	-95.7	0	0	0	0	103.1
614	D	36.2	Very low	33.8	Very low	133 Å²	133	127.3 Å²	127.3	71%	0.711	75%	0.75	S	S	*	*			cis	-159.6	-177.5	-10.4	-98.9	-40.1	0	0	0	107.5
615	D	35.9	Very low	33.8	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	75%	0.753	S	S	*	*			trans	65.1	109.7	152.1	-73.6	-31	0	0	0	123
616	S	35.1	Very low	34	Very low	108 Å²	108	131 Å²	131	76%	0.755	76%	0.755	S	S	*	*				78.3	160.4	123.1	86.6	0	0	0	0	119.7
617	S	31.6	Very low	34	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	75%	0.754	S	S	*	*			cis	-167.6	176.5	-32.3	57.9	0	0	0	0	110.1
618	T	35.1	Very low	34.5	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	75%	0.749	S	S	*	*			trans	68.6	124.8	178	72.3	0	0	0	0	115.7
619	S	31.7	Very low	34.5	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	74%	0.741	S	S	*	*			cis	96	123.1	15.7	84.8	0	0	0	0	116.5
620	I	36.9	Very low	34.9	Very low	156 Å²	156	131.9 Å²	131.9	80%	0.8	75%	0.749	S	S	*	*			trans	-167.5	126.5	147.6	-100.3	149.8	0	0	0	110.1
621	H	37.2	Very low	34.8	Very low	169 Å²	169	131.4 Å²	131.4	78%	0.782	74%	0.743	S	S	*	*			trans	23.1	148.5	150.6	-59.7	-49.5	0	0	0	123.8
622	S	35.9	Very low	34.9	Very low	91 Å²	91	130.7 Å²	130.7	64%	0.636	74%	0.738	S	S	*	*			cis	-172.7	163.8	-7.9	-103.5	0	0	0	0	114.2
623	T	35.5	Very low	34.9	Very low	136 Å²	136	131.4 Å²	131.4	83%	0.834	74%	0.737	S	S	*	*			trans	81	140	160.5	71.1	0	0	0	0	120
624	S	34.2	Very low	34.6	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	74%	0.742	S	S	*	*			cis	-166.2	163.4	-30.3	-155.5	0	0	0	0	111.4
625	L	35	Very low	34.6	Very low	154 Å²	154	130.3 Å²	130.3	81%	0.806	75%	0.745	S	S	*	*			trans	71.1	136.9	170.6	-50.3	170.2	0	0	0	117.9
626	Q	33.5	Very low	34.6	Very low	164 Å²	164	131 Å²	131	77%	0.766	75%	0.749	S	S	*	*			cis	-162.8	139.5	-36.4	-157.9	79.2	6	0	0	107.6
627	L	33.7	Very low	34.8	Very low	136 Å²	136	131.2 Å²	131.2	71%	0.712	75%	0.748	S	S	*	*			trans	-92	176.9	172.1	-64.7	122.2	0	0	0	111.6
628	P	39.5	Very low	34.8	Very low	122 Å²	122	134.1 Å²	134.1	79%	0.792	75%	0.754	S	S	*	*				-126	155.9	71.4	38.3	-27.7	0	0	0	113.1
629	D	33.9	Very low	34.5	Very low	113 Å²	113	132.8 Å²	132.8	60%	0.604	75%	0.75	S	S	*	*			cis	82.3	117.6	35.6	-71.6	-43.6	0	0	0	116.9
630	V	38	Very low	34.5	Very low	142 Å²	142	133.5 Å²	133.5	86%	0.861	75%	0.75	S	S	*	*			trans	163.9	116.5	152.5	158	0	0	0	0	106.1
631	Y	31.7	Very low	34.2	Very low	191 Å²	191	131.4 Å²	131.4	75%	0.749	75%	0.745	S	S	*	*			cis	102.4	128.3	2.3	-145.9	0.5	0	0	0	115.8
632	L	33.5	Very low	34.1	Very low	123 Å²	123	132.1 Å²	132.1	64%	0.644	75%	0.746	S	S	*	*			trans	79.4	150.8	167.3	-50.2	179.2	0	0	0	117.6
633	Q	32.2	Very low	33.8	Very low	167 Å²	167	137.3 Å²	137.3	78%	0.78	76%	0.757	S	S	*	*			cis	-153.9	176.2	-11	-134.6	156.1	-14.7	0	0	114
634	S	29.4	Very low	33.7	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	75%	0.747	S	S	*	*			trans	-84.5	154.8	176	55.4	0	0	0	0	115.5
635	A	37.3	Very low	33.6	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	75%	0.752	S	S	*	*			trans	-166.1	142.1	141.2	0	0	0	0	0	113.6
636	N	35.7	Very low	33.3	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	74%	0.737	S	S	*	*			trans	-95.8	152.2	154.3	-75.7	-38.9	0	0	0	108.5
637	P	39.8	Very low	33.1	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	74%	0.739	S	S	*	*				-131.5	139.4	106.8	7.9	14.1	0	0	0	111.7
638	I	31	Very low	32.9	Very low	154 Å²	154	135.8 Å²	135.8	79%	0.79	74%	0.737	S	S	*	*				68.3	129.2	77	-62.4	175.5	0	0	0	113.5
639	S	28.7	Very low	32.6	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	73%	0.732	S	S	*	*			trans	-32.6	154.2	175.8	56.4	0	0	0	0	116.8
640	T	32.4	Very low	32.5	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	74%	0.735	S	S	*	*				-167.2	136.7	73.6	38.8	0	0	0	0	117.9
641	V	31	Very low	32.3	Very low	112 Å²	112	138.3 Å²	138.3	68%	0.679	73%	0.731	S	S	*	*				77.2	128.7	126.9	175.1	0	0	0	0	121.7
642	K	33.3	Very low	32.3	Very low	184 Å²	184	136.2 Å²	136.2	80%	0.8	73%	0.728	S	S	*	*			trans	70.6	126.8	163.7	-73.3	160.6	-166.3	174.7	0	116.2
643	K	31.5	Very low	32.2	Very low	200 Å²	200	134.5 Å²	134.5	87%	0.87	73%	0.727	S	S	*	*				59.5	133.1	60.1	-80	-166.5	175.5	-172.8	0	111.6
644	S	33.2	Very low	32.1	Very low	90 Å²	90	131 Å²	131	63%	0.629	72%	0.721	S	S	*	*			cis	-166.4	159.9	20.6	39.6	0	0	0	0	111.8
645	N	30.8	Very low	32.2	Very low	149 Å²	149	131.9 Å²	131.9	80%	0.797	72%	0.721	S	S	*	*			trans	67	149.2	144.6	-76.4	31.8	0	0	0	117.8
646	S	29.2	Very low	32	Very low	72 Å²	72	134.9 Å²	134.9	50%	0.503	72%	0.721	S	S	.	*			cis	168.6	162.1	-16.4	48	0	0	0	0	106.3
647	Y	30.3	Very low	32	Very low	205 Å²	205	133.5 Å²	133.5	80%	0.804	71%	0.713	S	S	*	*			trans	66.5	145.4	172.9	-61.7	-72.8	0	0	0	114.5
648	E	28.4	Very low	31.8	Very low	141 Å²	141	135.3 Å²	135.3	66%	0.659	72%	0.716	S	S	*	*			cis	174.5	162.6	-26	-122.1	-168.3	148.7	0	0	103.8
649	F	32.5	Very low	32.4	Very low	160 Å²	160	132.6 Å²	132.6	70%	0.702	71%	0.708	S	S	*	*			trans	75.3	128.9	154.5	-86.1	-130.3	0	0	0	120.3
650	D	33.1	Very low	33	Very low	123 Å²	123	133.5 Å²	133.5	66%	0.658	71%	0.71	S	S	*	*			trans	81.9	88.4	134.8	-60.5	6.6	0	0	0	122.4
651	D	32.4	Very low	33.2	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	71%	0.709	S	S	*	*				78.4	171.3	103.7	-141.7	-0.6	0	0	0	120
652	E	32.7	Very low	33.6	Very low	147 Å²	147	135 Å²	135	69%	0.687	72%	0.715	S	S	*	*			trans	64.7	96	161.3	-80.7	-82.5	68.4	0	0	118.9
653	S	30.7	Very low	33.8	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	71%	0.709	S	S	*	*				79.6	130.3	117.1	-92.2	0	0	0	0	122.8
654	S	31.6	Very low	34.1	Very low	93 Å²	93	127.1 Å²	127.1	65%	0.65	70%	0.703	S	S	*	*			trans	75.7	111.6	132.6	-65.2	0	0	0	0	121.3
655	T	30.5	Very low	34.1	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	71%	0.71	S	S	*	*			trans	60.7	132.7	137	65.3	0	0	0	0	118.6
656	M	33	Very low	34.6	Very low	159 Å²	159	127.4 Å²	127.4	78%	0.783	70%	0.701	S	S	*	*				-173.6	155.8	80.6	-108.8	-160.9	168.6	0	0	115.9
657	L	35.9	Very low	35	Very low	127 Å²	127	129.4 Å²	129.4	67%	0.665	71%	0.71	S	S	*	*			trans	67.2	100.5	145.5	-62.1	168.4	0	0	0	122.3
658	L	35.8	Very low	35.4	Very low	150 Å²	150	127 Å²	127	79%	0.785	71%	0.709	S	S	*	*				56	160.8	105.4	-65.8	-174.5	0	0	0	121.7
659	P	44.1	Very low	35.9	Very low	97 Å²	97	125.2 Å²	125.2	63%	0.63	71%	0.708	S	S	*	*				-144	-148.3	-55.9	41.7	-20.9	0	0	0	112.7
660	T	40.2	Very low	36	Very low	116 Å²	116	123.6 Å²	123.6	71%	0.712	71%	0.706	S	S	*	*			trans	83.4	141.9	167.2	76.3	0	0	0	0	117.4
661	N	38	Very low	36.1	Very low	134 Å²	134	123.6 Å²	123.6	72%	0.717	71%	0.706	S	S	*	*			cis	-157.7	159.3	-10	-118.9	-11.8	0	0	0	113.8
662	T	39.2	Very low	36.4	Very low	131 Å²	131	124.4 Å²	124.4	80%	0.804	71%	0.705	S	S	*	*			trans	62.1	137.7	156.9	48.6	0	0	0	0	119.6
663	S	37	Very low	36.6	Very low	96 Å²	96	124.5 Å²	124.5	67%	0.671	71%	0.709	S	S	*	*			cis	-161.9	154.9	-2.3	57.8	0	0	0	0	112.9
664	T	36.6	Very low	36.7	Very low	121 Å²	121	125.6 Å²	125.6	74%	0.742	71%	0.708	S	S	*	*			trans	65	99.6	151.9	-46.3	0	0	0	0	116.3
665	I	35.3	Very low	36.9	Very low	154 Å²	154	129.3 Å²	129.3	79%	0.79	71%	0.712	S	S	*	*			cis	71.4	142.9	28.6	-112.6	175.9	0	0	0	113.5
666	P	40.5	Very low	37.1	Very low	92 Å²	92	128 Å²	128	60%	0.597	71%	0.708	S	S	*	*			cis	-137.8	-169.9	-4.7	39.6	-20.4	0	0	0	116.2
667	T	37.9	Very low	37.4	Very low	114 Å²	114	127.2 Å²	127.2	70%	0.699	71%	0.706	S	S	*	*			trans	70.8	156.9	154.1	56.1	0	0	0	0	118.2
668	I	38.8	Very low	37.3	Very low	153 Å²	153	127.1 Å²	127.1	79%	0.785	71%	0.706	S	S	*	*			cis	-150.3	154.4	-2.4	-120.5	151.2	0	0	0	107
669	V	37.6	Very low	37.3	Very low	104 Å²	104	126 Å²	126	63%	0.63	70%	0.7	S	S	*	*			cis	-177.6	130.9	-28.7	125.9	0	0	0	0	107.4
670	N	35.6	Very low	36.8	Very low	126 Å²	126	128.5 Å²	128.5	67%	0.674	70%	0.704	S	S	*	*			trans	49.9	163.2	147.6	-57.3	51.6	0	0	0	120.7
671	D	35.6	Very low	36.5	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	70%	0.701	S	S	*	*			cis	-158.2	139.2	-25	-97.6	-20.4	0	0	0	106.1
672	H	37.1	Very low	36.2	Very low	164 Å²	164	126.7 Å²	126.7	76%	0.759	69%	0.689	S	S	*	*				83	144.1	72.8	-141.8	-52.3	0	0	0	114.3
673	I	36.8	Very low	35.8	Very low	149 Å²	149	128.3 Å²	128.3	76%	0.764	69%	0.685	S	S	*	*			trans	81.3	103.2	171.4	-48.7	167.6	0	0	0	114
674	D	33.5	Very low	35.7	Very low	110 Å²	110	131 Å²	131	59%	0.588	69%	0.692	S	S	*	*			cis	97.3	133.8	37.3	-169.5	26.1	0	0	0	113.9
675	K	35.6	Very low	35.4	Very low	172 Å²	172	132.7 Å²	132.7	75%	0.748	70%	0.696	S	S	*	*			trans	65.3	144.5	174.9	-74.1	137.2	-169.3	154.5	0	118.8
676	S	35.9	Very low	35.2	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	69%	0.689	S	S	*	*			cis	-168.6	-179.6	-5.9	52.6	0	0	0	0	112.9
677	I	37.9	Very low	34.7	Very low	143 Å²	143	133.2 Å²	133.2	73%	0.733	70%	0.699	S	S	*	*			trans	88.3	102.4	156.5	-64.8	164.6	0	0	0	119
678	N	33.8	Very low	34.6	Very low	125 Å²	125	132.4 Å²	132.4	67%	0.668	70%	0.698	S	S	*	*			trans	63	125.6	131	-68.8	51.9	0	0	0	125.9
679	D	35.9	Very low	34.3	Very low	125 Å²	125	132.8 Å²	132.8	67%	0.668	70%	0.7	S	S	*	*				89.1	122.2	123.6	-67.8	-27.9	0	0	0	125
680	Q	33.5	Very low	33.7	Very low	150 Å²	150	133.1 Å²	133.1	70%	0.701	71%	0.706	S	S	*	*			trans	80.9	104.7	141	-67.8	179.8	27.5	0	0	123.5
681	L	34.9	Very low	33.4	Very low	125 Å²	125	132.4 Å²	132.4	65%	0.654	71%	0.706	S	S	*	*				54.5	114	116.8	-63.4	174.3	0	0	0	121.3	N706	L681-N706 PolarHBondContact O-ND2 3.18Å
682	D	31.2	Very low	33.2	Very low	87 Å²	87	132.5 Å²	132.5	47%	0.465	71%	0.711	S	S	.	*				160.3	151.9	93.6	-93.2	-28.6	0	0	0	117.6	N706	D682-N706 WeakPolarHBondContact CB-ND2 3.39Å; D682-N706 PolarHBondContact OD2-ND2 2.8Å
683	F	31.2	Very low	32.8	Very low	165 Å²	165	132.3 Å²	132.3	72%	0.724	71%	0.713	S	S	*	*			trans	41.9	118.9	146.9	-80.8	-105	0	0	0	125.6
684	L	33.7	Very low	32.7	Very low	153 Å²	153	131 Å²	131	80%	0.801	71%	0.712	S	S	*	*			trans	38.7	123.5	132.4	-57.8	-176.2	0	0	0	122.3
685	N	30.4	Very low	32.7	Very low	156 Å²	156	131 Å²	131	83%	0.834	72%	0.718	S	S	*	*				-155.3	170.9	121.4	-143.2	-19.1	0	0	0	113.5
686	T	31.8	Very low	32.4	Very low	105 Å²	105	128.2 Å²	128.2	64%	0.644	72%	0.719	S	S	*	*			trans	-89.9	158.3	-176.2	55.5	0	0	0	0	114.3
687	N	30.8	Very low	32.3	Very low	152 Å²	152	129 Å²	129	81%	0.813	72%	0.72	S	S	*	*				174.8	165.1	124.6	-95.8	-48.2	0	0	0	116.4
688	S	34.7	Very low	31.9	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	72%	0.721	S	S	*	*			trans	56.5	103.5	150.4	-62.9	0	0	0	0	123.2
689	I	32	Very low	31.7	Very low	162 Å²	162	128.6 Å²	128.6	83%	0.831	72%	0.724	S	S	*	*				40.2	100.9	103.4	-56	176.5	0	0	0	118
690	C	26.9	Very low	31.4	Very low	110 Å²	110	128 Å²	128	74%	0.743	73%	0.726	S	S	*	*				66.2	137.2	123	-142	0	0	0	0	123.8
691	T	29.3	Very low	31.3	Very low	111 Å²	111	126.5 Å²	126.5	68%	0.681	73%	0.727	S	S	*	*			trans	80.8	133.9	155.4	0	0	0	0	0	120.1
692	T	30.2	Very low	31.2	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	73%	0.727	S	S	*	*			trans	62.2	151.9	157.9	49.9	0	0	0	0	117.6
693	M	29.2	Very low	31.3	Very low	160 Å²	160	127.3 Å²	127.3	79%	0.788	74%	0.74	S	S	*	*			cis	-164.5	160.8	-15.2	-114.8	-81.1	-171.2	0	0	107.9
694	V	35.6	Very low	31.4	Very low	123 Å²	123	125.1 Å²	125.1	75%	0.745	74%	0.736	S	S	*	*			trans	64.4	135.6	163	173.8	0	0	0	0	117.2
695	P	32.6	Very low	31.5	Very low	110 Å²	110	123.5 Å²	123.5	71%	0.714	73%	0.728	S	S	*	*			trans	-89.5	139.5	170.4	34.6	-32.6	0	0	0	112.4
696	S	30.3	Very low	31.7	Very low	112 Å²	112	120.5 Å²	120.5	78%	0.783	71%	0.712	S	S	*	*			trans	-175.6	145.1	143.2	-85.6	0	0	0	0	114.1
697	T	32.3	Very low	31.9	Very low	112 Å²	112	120.6 Å²	120.6	69%	0.687	72%	0.717	S	S	*	*			trans	52	110	148	57.1	0	0	0	0	122
698	N	29.6	Very low	32	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	71%	0.714	S	S	*	*				82.8	133.8	117	-61.7	2.4	0	0	0	123
699	T	30.6	Very low	31.8	Very low	120 Å²	120	122.3 Å²	122.3	74%	0.736	72%	0.717	S	S	*	*			trans	74.8	96.5	136.6	49.6	0	0	0	0	123.1
700	T	29.2	Very low	31.7	Very low	113 Å²	113	119.2 Å²	119.2	69%	0.693	71%	0.709	S	S	*	*				74.1	149.2	118.4	-16	0	0	0	0	122.5
701	T	31.4	Very low	32	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.724	71%	0.707	S	S	*	*			trans	66.8	140.2	152	37.1	0	0	0	0	119.4
702	T	31.7	Very low	32	Very low	109 Å²	109	121.7 Å²	121.7	67%	0.669	71%	0.712	S	S	*	*			cis	-174.1	158.1	-24.1	11.7	0	0	0	0	107.8
703	T	33.1	Very low	31.9	Very low	119 Å²	119	120.6 Å²	120.6	73%	0.73	71%	0.708	S	S	*	*			trans	57.1	151	152.8	52.9	0	0	0	0	119.1
704	N	34.7	Very low	32	Very low	120 Å²	120	120.1 Å²	120.1	64%	0.642	71%	0.709	S	S	*	*			cis	-163.9	162.7	13.5	-123.9	6.3	0	0	0	112.7
705	N	34.6	Very low	31.7	Very low	118 Å²	118	117.9 Å²	117.9	63%	0.631	70%	0.703	S	S	*	*			trans	60.2	89.2	143.5	-57.9	-8.4	0	0	0	122.4
706	N	35	Very low	31.6	Very low	93 Å²	93	118.3 Å²	118.3	50%	0.497	70%	0.704	S	S	.	*				30.9	119.5	99.8	-134.4	-2.7	0	0	0	120	L681 D682	L681-N706 PolarHBondContact O-ND2 3.18Å; D682-N706 WeakPolarHBondContact CB-ND2 3.39Å; D682-N706 PolarHBondContact OD2-ND2 2.8Å
707	S	35.9	Very low	31.7	Very low	108 Å²	108	119.9 Å²	119.9	76%	0.755	70%	0.704	S	S	*	*			trans	172.8	150.3	145.4	50.3	0	0	0	0	111.8
708	I	32.6	Very low	31.7	Very low	147 Å²	147	119 Å²	119	75%	0.754	70%	0.698	S	S	*	*			cis	-164.1	164.4	-30	-134.9	162.9	0	0	0	108.7
709	L	31.6	Very low	31.7	Very low	138 Å²	138	119 Å²	119	72%	0.723	70%	0.697	S	S	*	*			trans	57.1	110.3	171.3	-96.9	45.2	0	0	0	116.7
710	S	30.3	Very low	31.8	Very low	96 Å²	96	120.3 Å²	120.3	67%	0.671	70%	0.698	S	S	*	*				61.9	135.7	53.4	89.8	0	0	0	0	115.6
711	T	31.6	Very low	31.9	Very low	114 Å²	114	119 Å²	119	70%	0.699	69%	0.694	S	S	*	*				171.8	107.2	121.3	-70.9	0	0	0	0	113
712	M	29.8	Very low	31.8	Very low	159 Å²	159	121.4 Å²	121.4	78%	0.783	70%	0.699	S	S	*	*			trans	65.7	107.3	143.9	-62	179.3	74.2	0	0	124.2
713	C	29.3	Very low	31.9	Very low	102 Å²	102	121.8 Å²	121.8	69%	0.689	70%	0.701	S	S	*	*				71	146.3	111	-58.3	0	0	0	0	124.1
714	N	30.3	Very low	31.9	Very low	150 Å²	150	121.3 Å²	121.3	80%	0.802	70%	0.703	S	S	*	*			trans	83.4	74.5	149.3	-62.4	-20.1	0	0	0	121.2
715	A	29.9	Very low	32	Very low	76 Å²	76	120.4 Å²	120.4	63%	0.628	71%	0.706	S	S	*	*				39.8	111.9	118.6	0	0	0	0	0	120.7
716	T	30.6	Very low	32.1	Very low	119 Å²	119	120 Å²	120	73%	0.73	71%	0.712	S	S	*	*				-173.4	148.5	100	28.6	0	0	0	0	113.3
717	N	30.8	Very low	32.2	Very low	145 Å²	145	120.6 Å²	120.6	78%	0.775	72%	0.724	S	S	*	*			trans	50.2	127.5	146.5	-69.3	14.4	0	0	0	123.5
718	T	32.7	Very low	32.3	Very low	93 Å²	93	120.1 Å²	120.1	57%	0.571	72%	0.721	S	S	*	*			trans	85	93.7	134.1	-56.1	0	0	0	0	120.5
719	L	30.8	Very low	32.5	Very low	142 Å²	142	119 Å²	119	74%	0.743	72%	0.72	S	S	*	*			trans	74.1	155.7	130.7	-111.6	155.5	0	0	0	121.1
720	I	32.3	Very low	32.6	Very low	147 Å²	147	117.9 Å²	117.9	75%	0.754	72%	0.72	S	S	*	*			trans	72.3	133.7	169.3	-58.3	173.6	0	0	0	115.4
721	S	31.5	Very low	32.9	Very low	86 Å²	86	119.4 Å²	119.4	60%	0.601	73%	0.725	S	S	*	*			cis	-169.6	-175.8	-24.4	62.5	0	0	0	0	109.6
722	M	29.8	Very low	33	Very low	169 Å²	169	119 Å²	119	83%	0.833	72%	0.723	S	S	*	*			trans	73.6	149.4	164.4	-67.3	-172.7	-177.9	0	0	117.3
723	T	31.7	Very low	33.4	Very low	116 Å²	116	118.6 Å²	118.6	71%	0.712	72%	0.721	S	S	*	*			cis	-151.6	171.2	4.2	-7.7	0	0	0	0	113.1
724	S	34.8	Very low	33.8	Very low	110 Å²	110	119.3 Å²	119.3	77%	0.769	72%	0.724	S	S	*	*			trans	68.3	138.8	158.2	46.8	0	0	0	0	119.8
725	S	35.8	Very low	34	Very low	101 Å²	101	119.8 Å²	119.8	71%	0.706	72%	0.723	S	S	*	*			cis	-170	141.1	-9.8	45.9	0	0	0	0	114
726	S	36.8	Very low	34.3	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	73%	0.734	S	S	*	*			trans	57.1	143.5	147.6	52.2	0	0	0	0	121.1
727	S	37.6	Very low	34.2	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	74%	0.737	S	S	*	*			cis	-179.6	161.8	2.9	42.1	0	0	0	0	110.2
728	S	36.9	Very low	34.3	Very low	98 Å²	98	124 Å²	124	69%	0.685	74%	0.735	S	S	*	*			cis	-163.6	-104.3	-16.2	55.8	0	0	0	0	112.4
729	T	36.8	Very low	34.2	Very low	122 Å²	122	124.3 Å²	124.3	75%	0.748	74%	0.741	S	S	*	*			trans	24.6	90.3	173.6	58.5	0	0	0	0	118.4
730	T	35.3	Very low	34.1	Very low	115 Å²	115	122.1 Å²	122.1	71%	0.706	74%	0.738	S	S	*	*			cis	77.5	117.7	40.7	76.3	0	0	0	0	118.2
731	T	35.9	Very low	34.1	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	74%	0.739	S	S	*	*			trans	-171	100.3	132.6	-71.3	0	0	0	0	106.7
732	T	32.9	Very low	34.2	Very low	106 Å²	106	124.5 Å²	124.5	65%	0.65	74%	0.739	S	S	*	*				65.5	137.8	66.2	65.6	0	0	0	0	113.9
733	M	37.9	Very low	34.2	Very low	150 Å²	150	122.4 Å²	122.4	74%	0.739	73%	0.732	S	S	*	*			cis	-168.5	-170.1	-0.8	-100.6	-79.3	-175	0	0	106.7	M735	M733-M735 HydrophobicContact SD-CB 4.07Å; M733-M735 HydrophobicContact SD-CG 4.07Å
734	P	39.3	Very low	34.3	Very low	116 Å²	116	125.4 Å²	125.4	75%	0.753	74%	0.737	S	S	*	*			cis	-116	176.7	-26.7	34.2	-16.2	0	0	0	112
735	M	34	Very low	34.2	Very low	161 Å²	161	124.7 Å²	124.7	79%	0.793	73%	0.732	S	S	*	*			cis	91.8	86.1	14.6	-76.4	-67.6	-169.9	0	0	119.7	M733	M733-M735 HydrophobicContact SD-CB 4.07Å; M733-M735 HydrophobicContact SD-CG 4.07Å
736	T	36.6	Very low	34	Very low	139 Å²	139	127 Å²	127	85%	0.853	74%	0.735	S	S	*	*			trans	-151.9	119.8	148.3	48.9	0	0	0	0	107.6
737	N	28.9	Very low	33.7	Very low	147 Å²	147	127.3 Å²	127.3	79%	0.786	73%	0.733	S	S	*	*			cis	105.2	153.5	20	-158	11.3	0	0	0	113.3
738	L	31.7	Very low	33.3	Very low	142 Å²	142	127.3 Å²	127.3	74%	0.743	73%	0.732	S	S	*	*			trans	76.9	129.3	-159.7	-70	68.1	0	0	0	112.7
739	S	30.9	Very low	32.8	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	73%	0.734	S	S	*	*			cis	76.8	133.8	36.4	86.4	0	0	0	0	113.4
740	S	29.8	Very low	32.5	Very low	96 Å²	96	129.8 Å²	129.8	67%	0.671	73%	0.729	S	S	*	*			cis	-172.5	-164.5	1.4	44.1	0	0	0	0	109.2
741	I	30.5	Very low	32.2	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	72%	0.723	S	S	*	*			trans	88	125	157.3	-61.4	155.4	0	0	0	119.5
742	H	34.4	Very low	32	Very low	130 Å²	130	131.2 Å²	131.2	60%	0.602	72%	0.718	S	S	*	*			trans	28.2	143.3	151.1	-78.1	19.7	0	0	0	125.6
743	N	29.7	Very low	31.8	Very low	126 Å²	126	134.4 Å²	134.4	67%	0.674	72%	0.723	S	S	*	*			trans	55.1	127.1	132.5	-58.7	-5.1	0	0	0	123.2
744	H	34.9	Very low	31.7	Very low	179 Å²	179	134 Å²	134	83%	0.829	72%	0.719	S	S	*	*			trans	44.1	114.6	137.2	-78.8	-86.2	0	0	0	121.5
745	S	30.8	Very low	31.4	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	72%	0.719	S	S	*	*			trans	85.6	133.4	132.8	-142.4	0	0	0	0	119.5
746	L	32	Very low	31.5	Very low	149 Å²	149	131.4 Å²	131.4	78%	0.78	71%	0.713	S	S	*	*			trans	31.7	127.1	138.1	-58.8	175.5	0	0	0	117.8
747	T	29.9	Very low	31.4	Very low	116 Å²	116	130.6 Å²	130.6	71%	0.712	71%	0.708	S	S	*	*			cis	-177.3	158.9	31.7	15.8	0	0	0	0	110
748	C	30.2	Very low	31.6	Very low	106 Å²	106	127.9 Å²	127.9	72%	0.716	70%	0.701	S	S	*	*	S	Bend	trans	176	136.7	145	-163.9	0	0	0	0	107.8
749	N	26.3	Very low	31.7	Very low	136 Å²	136	126.8 Å²	126.8	73%	0.727	70%	0.7	S	S	*	*	S	Bend	cis	-66.4	120.2	1.4	-62.2	-29.2	0	0	0	111.3
750	Q	30.4	Very low	32	Very low	137 Å²	137	127.1 Å²	127.1	64%	0.64	70%	0.698	S	S	*	*	S	Bend		76	121.9	94.2	-69.6	170.9	18.2	0	0	112
751	H	29.4	Very low	32.1	Very low	128 Å²	128	128.2 Å²	128.2	59%	0.593	70%	0.696	S	S	*	*			cis	-120.2	172	9.1	-88.6	-93.9	0	0	0	114.8
752	H	30.6	Very low	32.3	Very low	145 Å²	145	125.6 Å²	125.6	67%	0.671	69%	0.687	S	S	*	*			trans	-7	158.8	165.3	-46.3	-64.2	0	0	0	121
753	F	30.2	Very low	32.4	Very low	173 Å²	173	125.7 Å²	125.7	76%	0.759	69%	0.693	S	S	*	*			cis	-147.5	142.7	27.5	-117.3	-73.3	0	0	0	114
754	H	35.6	Very low	32.7	Very low	142 Å²	142	125 Å²	125	66%	0.657	69%	0.693	S	S	*	*			trans	16.6	130.7	158.6	-73.1	-37.2	0	0	0	125.2
755	N	32.7	Very low	32.6	Very low	142 Å²	142	122.7 Å²	122.7	76%	0.759	69%	0.687	S	S	*	*				59.1	148	118.4	-57	7.6	0	0	0	120.9
756	A	35	Very low	32.7	Very low	80 Å²	80	124 Å²	124	66%	0.661	69%	0.691	S	S	*	*			cis	-162.4	156.3	-3.4	0	0	0	0	0	112.8
757	T	34.4	Very low	32.7	Very low	122 Å²	122	121.9 Å²	121.9	75%	0.748	69%	0.689	S	S	*	*			trans	27.2	133	135.7	-20.2	0	0	0	0	118.2
758	S	34.3	Very low	32.7	Very low	91 Å²	91	122.8 Å²	122.8	64%	0.636	69%	0.694	S	S	*	*				-170.3	146.8	57.7	-52.1	0	0	0	0	115.4
759	T	34.2	Very low	32.9	Very low	118 Å²	118	123.8 Å²	123.8	72%	0.724	70%	0.697	S	S	*	*			trans	47	137.9	135.5	61.2	0	0	0	0	121.1
760	T	35.5	Very low	33	Very low	107 Å²	107	123.9 Å²	123.9	66%	0.656	70%	0.703	S	S	*	*			cis	-172.6	-179.5	2.5	20.1	0	0	0	0	107
761	N	33.5	Very low	33.2	Very low	120 Å²	120	122.9 Å²	122.9	64%	0.642	71%	0.709	S	S	*	*			cis	-155.7	-174	9.7	-143.7	-3.9	0	0	0	113.5
762	T	34.8	Very low	33.2	Very low	96 Å²	96	123.7 Å²	123.7	59%	0.589	72%	0.723	S	S	*	*			trans	-10.2	146.8	149.9	54.1	0	0	0	0	119.6
763	N	36	Very low	33.5	Very low	133 Å²	133	123.1 Å²	123.1	71%	0.711	73%	0.73	S	S	*	*			cis	-159.1	152.8	24	-123.4	-2.4	0	0	0	115.6
764	T	35	Very low	33.6	Very low	110 Å²	110	123.1 Å²	123.1	68%	0.675	73%	0.73	S	S	*	*			trans	56	127.4	148	53.4	0	0	0	0	124.2
765	D	33.5	Very low	33.5	Very low	132 Å²	132	122.2 Å²	122.2	71%	0.706	74%	0.739	S	S	*	*			trans	95.3	150	132.9	-71.3	22.2	0	0	0	123.4
766	T	32.7	Very low	33.8	Very low	122 Å²	122	123.6 Å²	123.6	75%	0.748	75%	0.745	S	S	*	*			trans	-117.5	138.4	-159.9	52.3	0	0	0	0	113.4
767	S	31.9	Very low	33.7	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	75%	0.75	S	S	*	*			trans	-173.4	142.8	140.3	-87.7	0	0	0	0	115.4
768	T	31.1	Very low	34.1	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	75%	0.753	S	S	*	*			trans	-6.7	135.7	154	-41	0	0	0	0	119.5
769	T	34.6	Very low	34.1	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	76%	0.758	S	S	*	*			trans	-98.4	122	178.9	29.4	0	0	0	0	115.3
770	T	28.5	Very low	34.2	Very low	138 Å²	138	133.9 Å²	133.9	85%	0.847	76%	0.757	S	S	*	*			trans	-143.9	137.5	159.3	46.7	0	0	0	0	108.7
771	C	33.2	Very low	34.2	Very low	115 Å²	115	135.7 Å²	135.7	78%	0.777	76%	0.761	S	S	*	*			trans	-127.6	126.7	-161.3	-59.7	0	0	0	0	115.3
772	T	30	Very low	34.1	Very low	145 Å²	145	135.2 Å²	135.2	89%	0.89	77%	0.767	S	S	*	*			trans	-153.2	142.6	161.3	3.4	0	0	0	0	110.4
773	V	36.8	Very low	34.3	Very low	134 Å²	134	135.9 Å²	135.9	81%	0.812	78%	0.776	S	S	*	*			trans	-140.7	116.7	-177.4	-179.7	0	0	0	0	106.9
774	K	33	Very low	34.2	Very low	173 Å²	173	136.5 Å²	136.5	75%	0.752	78%	0.779	S	S	*	*				78.9	133.2	66.8	-93.7	-172.6	175.6	-178.7	0	114.4
775	S	33.3	Very low	34.1	Very low	123 Å²	123	138.3 Å²	138.3	86%	0.86	79%	0.785	S	S	*	*			trans	-124	167	179.6	-58.2	0	0	0	0	111.3
776	I	38.3	Very low	34.1	Very low	170 Å²	170	138.4 Å²	138.4	87%	0.872	79%	0.79	S	S	*	*			trans	-112.1	157.4	179.1	-64.8	172.4	0	0	0	109.8
777	N	33.9	Very low	34	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	79%	0.794	S	S	*	*			trans	-136.4	157.4	-171.5	-165.3	28.2	0	0	0	111.4
778	H	41.9	Very low	34	Very low	175 Å²	175	143.3 Å²	143.3	81%	0.81	80%	0.798	S	S	*	*			trans	-148.6	162.4	167.8	-111.9	-69.7	0	0	0	112.4
779	Q	34.4	Very low	34.1	Very low	157 Å²	157	142 Å²	142	73%	0.734	79%	0.791	S	S	*	*			trans	-96.6	-170.5	-168.5	-50.9	176.1	-24	0	0	111.4
780	Q	36	Very low	34	Very low	150 Å²	150	143.6 Å²	143.6	70%	0.701	79%	0.794	S	S	*	*			cis	-169	168.5	23.8	-143.3	-175.7	3.9	0	0	113
781	I	35.9	Very low	34.7	Very low	146 Å²	146	142.5 Å²	142.5	75%	0.749	79%	0.789	S	S	*	*			trans	79.1	145.3	157.1	-65	161.9	0	0	0	118.8
782	S	31.9	Very low	34.6	Very low	109 Å²	109	144.8 Å²	144.8	76%	0.762	79%	0.792	S	S	*	*			trans	-130.2	164.4	-170.1	-37.8	0	0	0	0	111.9
783	S	37.7	Very low	34.8	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	78%	0.784	S	S	*	*			trans	177.3	123.7	132.3	-81.2	0	0	0	0	115.9
784	N	34.7	Very low	34.7	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	78%	0.779	S	S	*	*			trans	42.9	127.1	137.8	-56.2	-7.5	0	0	0	124.4
785	N	32.4	Very low	34.8	Very low	148 Å²	148	142 Å²	142	79%	0.791	78%	0.776	S	S	*	*			trans	22.5	136.5	134.2	-52.6	-7.5	0	0	0	119.4
786	T	33.7	Very low	35	Very low	133 Å²	133	142 Å²	142	82%	0.816	77%	0.766	S	S	*	*				-165.7	166.9	61.4	-56.8	0	0	0	0	111.9
787	M	30.1	Very low	34.9	Very low	171 Å²	171	139.8 Å²	139.8	84%	0.842	76%	0.756	S	S	*	*			trans	-63.9	156.4	176.2	-56.9	174.4	176.4	0	0	114.5
788	I	32.1	Very low	34.9	Very low	158 Å²	158	138.7 Å²	138.7	81%	0.81	75%	0.75	S	S	*	*				178.1	133.1	114.9	-91.5	160.9	0	0	0	113.3
789	T	32.8	Very low	34.7	Very low	109 Å²	109	137.2 Å²	137.2	67%	0.669	74%	0.743	S	S	*	*			trans	20	124.1	163.1	64.3	0	0	0	0	124.6
790	N	33.2	Very low	34.7	Very low	160 Å²	160	136.6 Å²	136.6	86%	0.856	74%	0.74	S	S	*	*				64.6	156	128.9	-68.5	7.1	0	0	0	123
791	P	42.6	Very low	34.5	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	74%	0.74	S	S	*	*			trans	-108.7	171	-165.9	42	-34.8	0	0	0	115
792	I	32.4	Very low	34.3	Very low	164 Å²	164	137.5 Å²	137.5	84%	0.841	74%	0.741	S	S	*	*			trans	-163.2	160.4	146.6	-104.4	153.2	0	0	0	111.4
793	D	32.6	Very low	34.4	Very low	132 Å²	132	140.7 Å²	140.7	71%	0.706	74%	0.744	S	S	*	*			trans	-54.8	177	-162.1	-58.4	-70.2	0	0	0	123.1
794	N	35.5	Very low	34.1	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	74%	0.74	S	S	*	*			trans	104	116.3	142.4	-84.2	-54.8	0	0	0	120.7
795	N	35.7	Very low	34.3	Very low	129 Å²	129	143.8 Å²	143.8	69%	0.69	74%	0.741	S	S	*	*				35	143.1	112.3	-68.6	-42.5	0	0	0	119.3
796	N	37.1	Very low	34.3	Very low	123 Å²	123	144 Å²	144	66%	0.658	74%	0.737	S	S	*	*			cis	-160.9	146.5	33.4	-135	-20.9	0	0	0	114.9
797	N	36.6	Very low	34.4	Very low	122 Å²	122	145 Å²	145	65%	0.652	73%	0.732	S	S	*	*			trans	23.3	136.7	139.1	-77.5	-24.1	0	0	0	124.8
798	N	34.4	Very low	34.6	Very low	122 Å²	122	144.7 Å²	144.7	65%	0.652	73%	0.728	S	S	*	*			trans	77.9	152.9	131.7	-67.4	-19.7	0	0	0	120
799	H	36.7	Very low	34.7	Very low	144 Å²	144	140.8 Å²	140.8	67%	0.667	72%	0.715	S	S	*	*			cis	-159.7	177.7	0.8	-131.3	30.9	0	0	0	114.2
800	Q	33.5	Very low	34.6	Very low	144 Å²	144	142.5 Å²	142.5	67%	0.673	72%	0.72	S	S	*	*			trans	78.7	119.1	147.2	-79.8	165.3	2.6	0	0	124.4
801	Q	31.8	Very low	34.6	Very low	150 Å²	150	141.1 Å²	141.1	70%	0.701	71%	0.713	S	S	*	*				59.5	112.1	124	-66.5	171.1	8.7	0	0	120.3
802	Q	32.5	Very low	34.3	Very low	166 Å²	166	142.2 Å²	142.2	78%	0.776	71%	0.713	S	S	*	*				77.6	116.8	79.8	-76.3	-177.3	10.1	0	0	115.7
803	Q	33.7	Very low	34.3	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	71%	0.709	S	S	*	*				176.6	172.8	115.7	-94	-177.4	58.2	0	0	114.7
804	H	32.9	Very low	34.3	Very low	149 Å²	149	142.2 Å²	142.2	69%	0.69	71%	0.714	S	S	*	*			trans	-61.3	151.2	-161.2	-59.4	-92.2	0	0	0	120.6
805	H	37.1	Very low	34.1	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.796	72%	0.723	S	S	*	*				177.3	132.9	108	-89.5	-66.9	0	0	0	110.8
806	H	33.4	Very low	33.8	Very low	153 Å²	153	144.9 Å²	144.9	71%	0.708	73%	0.726	S	S	*	*				44.6	126.1	98.2	-76.2	47.3	0	0	0	114.6
807	H	36.6	Very low	33.5	Very low	155 Å²	155	146.9 Å²	146.9	72%	0.718	74%	0.735	S	S	*	*			cis	-160.9	154.1	44.1	-124.5	-71.7	0	0	0	115.5
808	H	33.8	Very low	33.2	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.755	74%	0.739	S	S	*	*			trans	46.7	120.6	142.4	-99.8	18.2	0	0	0	126.1
809	S	33.1	Very low	33	Very low	77 Å²	77	144.7 Å²	144.7	54%	0.538	75%	0.745	S	S	.	*				86.2	104.9	117	-62.7	0	0	0	0	124.2
810	N	32.1	Very low	32.7	Very low	144 Å²	144	145.7 Å²	145.7	77%	0.77	75%	0.754	S	S	*	*				74	141.6	121.1	-65.5	6.7	0	0	0	123.1
811	N	33.2	Very low	32.6	Very low	131 Å²	131	148.1 Å²	148.1	70%	0.701	77%	0.766	S	S	*	*			trans	67.6	144.2	159.5	-74.5	42.9	0	0	0	117.7
812	D	35.6	Very low	32.6	Very low	138 Å²	138	152.3 Å²	152.3	74%	0.738	78%	0.775	S	S	*	*			cis	-137.6	159.7	2.2	-114.2	-46	0	0	0	113.1
813	N	31.9	Very low	32.7	Very low	144 Å²	144	152.4 Å²	152.4	77%	0.77	78%	0.781	S	S	*	*			trans	-85.3	123.1	177.4	-66.9	-76.2	0	0	0	111.2
814	N	32.3	Very low	32.8	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	78%	0.781	S	S	*	*			trans	164.1	96.1	131.2	-86.2	-34.2	0	0	0	112.5
815	H	32.1	Very low	33	Very low	195 Å²	195	152.1 Å²	152.1	90%	0.903	79%	0.789	S	S	*	*			trans	165.8	118.3	142.8	-100.3	-72.4	0	0	0	109.4
816	T	29.8	Very low	32.8	Very low	124 Å²	124	151.4 Å²	151.4	76%	0.761	79%	0.791	S	S	*	*			trans	-176.3	112.3	155.3	-86.5	0	0	0	0	109.2
817	I	30.6	Very low	33	Very low	165 Å²	165	153.5 Å²	153.5	85%	0.846	80%	0.798	S	S	*	*				43.3	139.1	125.3	-55.9	165.1	0	0	0	118.3
818	G	29.7	Very low	32.7	Very low	70 Å²	70	155.5 Å²	155.5	72%	0.722	81%	0.805	S	S	*	*			trans	157.5	82.5	159.4	0	0	0	0	0	116.2
819	T	29.7	Very low	32.6	Very low	128 Å²	128	153.3 Å²	153.3	79%	0.785	81%	0.807	S	S	*	*			trans	-57.2	160.5	154.2	43.9	0	0	0	0	111.8
820	L	31.6	Very low	32.9	Very low	165 Å²	165	158.3 Å²	158.3	86%	0.864	82%	0.819	S	S	*	*			trans	98.3	47.2	164.2	-52.7	166.4	0	0	0	119.7
821	E	31.4	Very low	33.5	Very low	194 Å²	194	156.2 Å²	156.2	91%	0.907	82%	0.815	S	S	*	*			trans	-149.4	61	158.8	-138	173.1	-130.1	0	0	117.8
822	R	32.3	Very low	34.8	Very low	239 Å²	239	158.7 Å²	158.7	90%	0.902	82%	0.82	S	S	*	*			trans	-148.2	88.4	160.8	-74.5	-164.5	-178.6	94.2	1.4	112.2
823	N	33.8	Very low	36.4	Very low	168 Å²	168	154.3 Å²	154.3	90%	0.898	80%	0.796	S	S	*	*	S	Bend	trans	-164.3	6.1	164.9	-108.8	-29	0	0	0	117.8
824	N	35.4	Very low	38.8	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	78%	0.778	S	S	*	*	S	Bend	trans	-111.9	5.2	-168.3	-119.5	-13.4	0	0	0	116.7
825	L	37.1	Very low	41.3	Very low	164 Å²	164	147 Å²	147	86%	0.859	76%	0.759	S	S	*	*	S	Bend	trans	-94.1	-21.4	-176.6	-77.5	164.1	0	0	0	115.1	K827	L825-K827 PolarHBondContact O-N 2.71Å
826	N	34.2	Very low	43.8	Very low	158 Å²	158	144 Å²	144	85%	0.845	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.6	-172.5	-74.4	10	0	0	0	115.6
827	K	36.6	Very low	46.6	Very low	196 Å²	196	143 Å²	143	85%	0.852	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	6.8	-175.1	-81	179.6	176.8	171.5	0	116.1	L825	L825-K827 PolarHBondContact O-N 2.71Å
828	K	29.5	Very low	49.2	Very low	197 Å²	197	135.4 Å²	135.4	86%	0.857	69%	0.694	S	S	*	*	S	Bend	trans	-135.7	71.6	176.3	-74.7	-174.9	176	177.7	0	113.2
829	C	32.4	Very low	51.9	Low	118 Å²	118	134.3 Å²	134.3	80%	0.797	67%	0.67	S	S	*	*			trans	-161.3	41	158.9	-125.3	0	0	0	0	116.6	S831	C829-S831 PolarHBondContact O-N 3.1Å
830	K	40.3	Very low	54.7	Low	181 Å²	181	132.6 Å²	132.6	79%	0.787	65%	0.654	S	S	*	*			trans	-78.5	61	158.4	-76.9	-172.5	176.8	178	0	110
831	S	45	Very low	57.4	Low	100 Å²	100	129.3 Å²	129.3	70%	0.699	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-65.2	141.6	172.6	-165.9	0	0	0	0	109.5	C829 M833	C829-S831 PolarHBondContact O-N 3.1Å; S831-M833 PolarHBondContact O-N 2.92Å
832	K	60.1	Low	60.1	Low	184 Å²	184	120 Å²	120	80%	0.8	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-65.7	126.7	167.1	-71.8	-170.7	175.3	-169.4	0	107.6
833	M	68.5	Low	62.9	Low	45 Å²	45	114.7 Å²	114.7	22%	0.222	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-66.6	133	175.6	-165.3	173.3	140.3	0	0	108.5	S831 M837 I838 K841	S831-M833 PolarHBondContact O-N 2.92Å; M833-M837 HydrophobicContact CE-CB 3.74Å; M833-M837 WeakPolarHBondContact CE-O 3.48Å; M833-M837 HydrophobicContact CG-CB 3.77Å; M833-M837 HydrophobicContact CG-CE 4.28Å; M833-M837 HydrophobicContact CG-SD 4.17Å; M833-I838 HydrophobicContact CB-CD1 4.3Å; M833-I838 HydrophobicContact CB-CG1 4.16Å; M833-I838 HydrophobicContact CE-CB 4.27Å; M833-I838 HydrophobicContact CE-CG1 3.69Å; M833-I838 HydrophobicContact CG-CG1 3.96Å; M833-I838 WeakPolarHBondContact O-CD1 3.19Å; M833-I838 HydrophobicContact SD-CG1 4.18Å; M833-K841 HydrophobicContact CE-CB 4.04Å; M833-K841 HydrophobicContact CE-CD 3.42Å; M833-K841 VanDerWaalsContact CE-CD 3.42Å; M833-K841 VanDerWaalsContact CE-CE 3.49Å; M833-K841 HydrophobicContact CE-CG 3.63Å; M833-K841 HydrophobicContact SD-CD 4.15Å; M833-K841 PolarHBondContact SD-NZ 2.83Å
834	T	83.2	Confident	65.5	Low	66 Å²	66	113.8 Å²	113.8	41%	0.405	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-74.9	159.1	-174	80.7	0	0	0	0	111.4	E836 M837 I838	T834-E836 WeakPolarHBondContact CB-OE2 3.23Å; T834-E836 PolarHBondContact O-N 3.48Å; T834-E836 PolarHBondContact OG1-OE2 3.23Å; T834-M837 HydrophobicContact CG2-SD 4.3Å; T834-M837 WeakPolarHBondContact O-CB 3.22Å; T834-M837 PolarHBondContact O-N 3.12Å; T834-M837 WeakPolarHBondContact OG1-CG 3.25Å; T834-M837 PolarHBondContact OG1-N 2.89Å; T834-I838 VanDerWaalsContact O-CG1 3.29Å; T834-I838 WeakPolarHBondContact O-CG1 3.17Å; T834-I838 PolarHBondContact O-N 3.45Å
835	D	83.6	Confident	68	Low	75 Å²	75	107.9 Å²	107.9	40%	0.401	53%	0.529	S	S	.	.	H	α-helix	trans	-58.2	-36.9	-178.8	-89	-8.9	0	0	0	112.2	I838 Q839 K894	D835-I838 PolarHBondContact O-N 3.46Å; D835-Q839 WeakPolarHBondContact O-CG 3.32Å; D835-Q839 PolarHBondContact O-N 2.85Å; D835-K894 VanDerWaalsContact OD1-CD 3.31Å; D835-K894 WeakPolarHBondContact OD1-CD 3.32Å; D835-K894 WeakPolarHBondContact OD1-CE 3.44Å; D835-K894 IonicContact OD1-NZ 2.89Å; D835-K894 PolarHBondContact OD1-NZ 2.92Å; D835-K894 IonicContact OD2-NZ 2.67Å; D835-K894 PolarHBondContact OD2-NZ 3.39Å
836	E	86	Confident	70.6	Confident	132 Å²	132	100.9 Å²	100.9	62%	0.617	49%	0.493	S	S	*	.	H	α-helix	trans	-66.9	-46	178.5	-50.7	71.3	-152.8	0	0	110.5	T834 I838 Q839 E840	T834-E836 WeakPolarHBondContact CB-OE2 3.23Å; T834-E836 PolarHBondContact O-N 3.48Å; T834-E836 PolarHBondContact OG1-OE2 3.23Å; E836-I838 PolarHBondContact O-N 3.43Å; E836-Q839 PolarHBondContact O-N 2.66Å; E836-E840 WeakPolarHBondContact O-CB 3.32Å; E836-E840 PolarHBondContact O-N 3.17Å
837	M	86.9	Confident	73.5	Confident	104 Å²	104	95.3 Å²	95.3	51%	0.512	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-35.7	173.9	-64.5	178.6	76.9	0	0	111.6	M833 T834 K841	M833-M837 HydrophobicContact CE-CB 3.74Å; M833-M837 WeakPolarHBondContact CE-O 3.48Å; M833-M837 HydrophobicContact CG-CB 3.77Å; M833-M837 HydrophobicContact CG-CE 4.28Å; M833-M837 HydrophobicContact CG-SD 4.17Å; T834-M837 HydrophobicContact CG2-SD 4.3Å; T834-M837 WeakPolarHBondContact O-CB 3.22Å; T834-M837 PolarHBondContact O-N 3.12Å; T834-M837 WeakPolarHBondContact OG1-CG 3.25Å; T834-M837 PolarHBondContact OG1-N 2.89Å; M837-K841 PolarHBondContact O-N 3.03Å
838	I	85.3	Confident	76.2	Confident	5 Å²	5	94.1 Å²	94.1	3%	0.026	47%	0.468	C	S	.	.	H	α-helix	trans	-71.8	-46.1	-179.5	-69	167.8	0	0	0	110.2	M833 T834 D835 E836 E840 K841 L842 K894 E895 V898	M833-I838 HydrophobicContact CB-CD1 4.3Å; M833-I838 HydrophobicContact CB-CG1 4.16Å; M833-I838 HydrophobicContact CE-CB 4.27Å; M833-I838 HydrophobicContact CE-CG1 3.69Å; M833-I838 HydrophobicContact CG-CG1 3.96Å; M833-I838 WeakPolarHBondContact O-CD1 3.19Å; M833-I838 HydrophobicContact SD-CG1 4.18Å; T834-I838 VanDerWaalsContact O-CG1 3.29Å; T834-I838 WeakPolarHBondContact O-CG1 3.17Å; T834-I838 PolarHBondContact O-N 3.45Å; D835-I838 PolarHBondContact O-N 3.46Å; E836-I838 PolarHBondContact O-N 3.43Å; I838-E840 VanDerWaalsContact C-N 3.28Å; I838-E840 PolarHBondContact O-N 2.88Å; I838-K841 PolarHBondContact O-N 3.18Å; I838-L842 HydrophobicContact CG2-CD1 4.2Å; I838-L842 WeakPolarHBondContact O-CG 3.24Å; I838-L842 PolarHBondContact O-N 3.22Å; I838-K894 HydrophobicContact CD1-CB 4.1Å; I838-K894 HydrophobicContact CG2-CB 3.9Å; I838-E895 HydrophobicContact CD1-CB 4.03Å; I838-V898 HydrophobicContact CG2-CG2 3.98Å
839	Q	86.4	Confident	79.2	Confident	47 Å²	47	86.8 Å²	86.8	22%	0.22	45%	0.448	C	S	.	.	H	α-helix	trans	-57.8	-42.1	172	-73	-167.5	8.9	0	0	111.4	D835 E836 L842 R843	D835-Q839 WeakPolarHBondContact O-CG 3.32Å; D835-Q839 PolarHBondContact O-N 2.85Å; E836-Q839 PolarHBondContact O-N 2.66Å; Q839-L842 WeakPolarHBondContact O-CB 3.13Å; Q839-L842 PolarHBondContact O-N 3.18Å; Q839-R843 WeakPolarHBondContact O-CG 3.3Å; Q839-R843 PolarHBondContact O-N 3.39Å; Q839-R843 VanDerWaalsContact OE1-NH2 3.14Å
840	E	88.4	Confident	82	Confident	93 Å²	93	84.1 Å²	84.1	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-42.7	-179.1	-160.3	57.3	-149.3	0	0	112.5	E836 I838 L842 R843 M844	E836-E840 WeakPolarHBondContact O-CB 3.32Å; E836-E840 PolarHBondContact O-N 3.17Å; I838-E840 VanDerWaalsContact C-N 3.28Å; I838-E840 PolarHBondContact O-N 2.88Å; E840-L842 VanDerWaalsContact C-N 3.28Å; E840-L842 PolarHBondContact O-N 3.38Å; E840-R843 WeakPolarHBondContact O-CB 3.44Å; E840-R843 PolarHBondContact O-N 3.2Å; E840-R843 WeakPolarHBondContact OE2-CD 3.41Å; E840-R843 IonicContact OE2-CZ 3.76Å; E840-R843 IonicContact OE2-NE 3.64Å; E840-R843 IonicContact OE2-NH1 3.29Å; E840-R843 PolarHBondContact OE2-NH1 2.77Å; E840-M844 WeakPolarHBondContact O-CG 3.33Å; E840-M844 PolarHBondContact O-N 2.9Å
841	K	88.3	Confident	84.6	Confident	95 Å²	95	75.5 Å²	75.5	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-63.1	-32.8	171.2	-74.4	-161.1	-164.2	161	0	112.9	M833 M837 I838 I845 V898	M833-K841 HydrophobicContact CE-CB 4.04Å; M833-K841 HydrophobicContact CE-CD 3.42Å; M833-K841 VanDerWaalsContact CE-CD 3.42Å; M833-K841 VanDerWaalsContact CE-CE 3.49Å; M833-K841 HydrophobicContact CE-CG 3.63Å; M833-K841 HydrophobicContact SD-CD 4.15Å; M833-K841 PolarHBondContact SD-NZ 2.83Å; M837-K841 PolarHBondContact O-N 3.03Å; I838-K841 PolarHBondContact O-N 3.18Å; K841-I845 WeakPolarHBondContact O-CD1 3.16Å; K841-I845 VanDerWaalsContact O-CG1 3.26Å; K841-I845 WeakPolarHBondContact O-CG1 3.43Å; K841-I845 PolarHBondContact O-N 2.77Å; K841-V898 HydrophobicContact CB-CG1 3.99Å; K841-V898 HydrophobicContact CD-CG1 4.26Å
842	L	89.2	Confident	87	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-66	-47.4	172.3	-71.8	170.6	0	0	0	110.7	I838 Q839 E840 M844 I845 V846 L888 V898 I901 L920 L925	I838-L842 HydrophobicContact CG2-CD1 4.2Å; I838-L842 WeakPolarHBondContact O-CG 3.24Å; I838-L842 PolarHBondContact O-N 3.22Å; Q839-L842 WeakPolarHBondContact O-CB 3.13Å; Q839-L842 PolarHBondContact O-N 3.18Å; E840-L842 VanDerWaalsContact C-N 3.28Å; E840-L842 PolarHBondContact O-N 3.38Å; L842-M844 PolarHBondContact O-N 3.49Å; L842-I845 PolarHBondContact O-N 3.1Å; L842-V846 WeakPolarHBondContact O-CG1 3.31Å; L842-V846 VanDerWaalsContact O-CG2 3.31Å; L842-V846 WeakPolarHBondContact O-CG2 3.41Å; L842-V846 PolarHBondContact O-N 2.89Å; L842-L888 HydrophobicContact CD1-CD1 3.62Å; L842-L888 HydrophobicContact CD1-CD2 3.96Å; L842-L888 HydrophobicContact CD1-CG 4.46Å; L842-V898 HydrophobicContact CD2-CG2 4.04Å; L842-V898 HydrophobicContact CG-CG2 4.07Å; L842-I901 HydrophobicContact CD2-CD1 4.27Å; L842-L920 HydrophobicContact CB-CD2 4.02Å; L842-L925 HydrophobicContact CD1-CD2 4.11Å; L842-L925 HydrophobicContact CD2-CD2 3.95Å
843	R	90.9	Very high	88.6	Confident	126 Å²	126	76.6 Å²	76.6	48%	0.475	38%	0.379	S	S	.	.	H	α-helix	trans	-54.6	-36.1	175.3	-71.5	175.1	-169.1	141.7	5.3	113.1	Q839 E840 I845 L920	Q839-R843 WeakPolarHBondContact O-CG 3.3Å; Q839-R843 PolarHBondContact O-N 3.39Å; Q839-R843 VanDerWaalsContact OE1-NH2 3.14Å; E840-R843 WeakPolarHBondContact O-CB 3.44Å; E840-R843 PolarHBondContact O-N 3.2Å; E840-R843 WeakPolarHBondContact OE2-CD 3.41Å; E840-R843 IonicContact OE2-CZ 3.76Å; E840-R843 IonicContact OE2-NE 3.64Å; E840-R843 IonicContact OE2-NH1 3.29Å; E840-R843 PolarHBondContact OE2-NH1 2.77Å; R843-I845 VanDerWaalsContact C-N 3.31Å; R843-I845 PolarHBondContact O-N 3.27Å; R843-L920 HydrophobicContact CG-CD2 4.02Å
844	M	88.2	Confident	89.9	Confident	150 Å²	150	77.5 Å²	77.5	74%	0.739	38%	0.382	S	S	*	.	H	α-helix	trans	-70.1	-20.8	175.1	-67.7	172.8	64.7	0	0	114.6	E840 L842	E840-M844 WeakPolarHBondContact O-CG 3.33Å; E840-M844 PolarHBondContact O-N 2.9Å; L842-M844 PolarHBondContact O-N 3.49Å
845	I	87.6	Confident	90.6	Very high	29 Å²	29	74.5 Å²	74.5	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-108.4	-32.8	-172.6	-63.5	168.6	0	0	0	111.9	K841 L842 R843 V898 I901 K905	K841-I845 WeakPolarHBondContact O-CD1 3.16Å; K841-I845 VanDerWaalsContact O-CG1 3.26Å; K841-I845 WeakPolarHBondContact O-CG1 3.43Å; K841-I845 PolarHBondContact O-N 2.77Å; L842-I845 PolarHBondContact O-N 3.1Å; R843-I845 VanDerWaalsContact C-N 3.31Å; R843-I845 PolarHBondContact O-N 3.27Å; I845-V898 HydrophobicContact CD1-CG1 3.88Å; I845-I901 HydrophobicContact CG2-CG2 3.6Å; I845-K905 HydrophobicContact CG2-CD 4.23Å; I845-K905 PolarHBondContact O-NZ 3.42Å
846	V	91.9	Very high	91.2	Very high	17 Å²	17	76.6 Å²	76.6	10%	0.103	37%	0.371	C	S	.	.	S	Bend	trans	-76.7	159.5	177.5	-58.1	0	0	0	0	112.3	L842 S918 L920 L925	L842-V846 WeakPolarHBondContact O-CG1 3.31Å; L842-V846 VanDerWaalsContact O-CG2 3.31Å; L842-V846 WeakPolarHBondContact O-CG2 3.41Å; L842-V846 PolarHBondContact O-N 2.89Å; V846-S918 WeakPolarHBondContact CB-O 3.37Å; V846-L920 HydrophobicContact CG1-CB 4.44Å; V846-L920 HydrophobicContact CG2-CB 3.93Å; V846-L925 HydrophobicContact CG1-CD1 3.81Å
847	S	94.5	Very high	91.6	Very high	41 Å²	41	73.8 Å²	73.8	29%	0.287	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-74	142.4	167.9	-64	0	0	0	0	110.5	D917 S918 Y919	S847-D917 VanDerWaalsContact CB-OD1 3.26Å; S847-D917 WeakPolarHBondContact CB-OD1 3.36Å; S847-D917 PolarHBondContact OG-OD1 2.76Å; S847-S918 WeakPolarHBondContact CB-O 3.47Å; S847-S918 PolarHBondContact N-O 3.23Å; S847-Y919 WeakPolarHBondContact O-CD1 3.48Å
848	I	93.5	Very high	91.9	Very high	172 Å²	172	72.2 Å²	72.2	88%	0.882	35%	0.348	S	S	*	.	S	Bend	trans	-79.3	130.1	178.3	-58.7	172.8	0	0	0	109.3
849	G	92.2	Very high	92.3	Very high	43 Å²	43	77.7 Å²	77.7	44%	0.443	37%	0.373	S	S	.	.	S	Bend	trans	133.6	-176.1	171.1	0	0	0	0	0	113.8
850	D	92.7	Very high	92.6	Very high	61 Å²	61	81 Å²	81	33%	0.326	39%	0.387	S	S	.	.			trans	-97	117	176.6	172.3	11.8	0	0	0	109.7	N852 R853	D850-N852 PolarHBondContact O-N 3.41Å; D850-N852 WeakPolarHBondContact OD1-CB 3.37Å; D850-N852 PolarHBondContact OD1-N 3.23Å; D850-N852 PolarHBondContact OD1-ND2 3.38Å; D850-R853 HydrophobicContact CB-CG 4.24Å; D850-R853 WeakPolarHBondContact O-CB 3.17Å; D850-R853 PolarHBondContact O-N 3.47Å; D850-R853 VanDerWaalsContact O-N 3.14Å
851	P	95	Very high	92.6	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-63	-24.2	-178.1	24.6	-32.6	0	0	0	113.4	R853 K854 Y855 Y919 V921 W926	P851-R853 PolarHBondContact O-N 3.46Å; P851-R853 VanDerWaalsContact O-N 3.07Å; P851-K854 PolarHBondContact O-N 3.04Å; P851-Y855 HydrophobicContact CB-CD2 4.27Å; P851-Y855 PolarHBondContact O-N 2.99Å; P851-Y919 HydrophobicContact CB-CD1 4.47Å; P851-Y919 HydrophobicContact CB-CD2 3.7Å; P851-Y919 HydrophobicContact CB-CE2 4.13Å; P851-Y919 HydrophobicContact CB-CG 3.89Å; P851-Y919 HydrophobicContact CG-CD2 4.35Å; P851-Y919 HydrophobicContact CG-CG 4.16Å; P851-V921 HydrophobicContact CG-CG2 4.48Å; P851-W926 HydrophobicContact CB-CD2 4.05Å; P851-W926 HydrophobicContact CB-CE3 3.56Å; P851-W926 HydrophobicContact CB-CH2 4.44Å; P851-W926 HydrophobicContact CB-CZ3 3.79Å; P851-W926 HydrophobicContact CG-CB 4.43Å; P851-W926 HydrophobicContact CG-CD2 3.4Å; P851-W926 HydrophobicContact CG-CE3 3.42Å; P851-W926 VanDerWaalsContact CG-CE3 3.42Å; P851-W926 HydrophobicContact CG-CG 3.89Å; P851-W926 HydrophobicContact CG-CH2 3.97Å; P851-W926 HydrophobicContact CG-CZ2 3.95Å; P851-W926 HydrophobicContact CG-CZ3 3.73Å
852	N	94.5	Very high	92.4	Very high	95 Å²	95	76.7 Å²	76.7	51%	0.508	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-62.7	-15.8	177.2	-60.9	-81.9	0	0	0	112.8	D850 W926	D850-N852 PolarHBondContact O-N 3.41Å; D850-N852 WeakPolarHBondContact OD1-CB 3.37Å; D850-N852 PolarHBondContact OD1-N 3.23Å; D850-N852 PolarHBondContact OD1-ND2 3.38Å; N852-W926 WeakPolarHBondContact OD1-CH2 3.38Å
853	R	94.2	Very high	92	Very high	213 Å²	213	83.3 Å²	83.3	80%	0.804	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-82.1	-20.8	174.4	-58.9	-177	179.8	-153	-2.3	113.9	D850 P851	D850-R853 HydrophobicContact CB-CG 4.24Å; D850-R853 WeakPolarHBondContact O-CB 3.17Å; D850-R853 PolarHBondContact O-N 3.47Å; D850-R853 VanDerWaalsContact O-N 3.14Å; P851-R853 PolarHBondContact O-N 3.46Å; P851-R853 VanDerWaalsContact O-N 3.07Å
854	K	95.9	Very high	91	Very high	64 Å²	64	79.7 Å²	79.7	28%	0.278	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-26.9	-176.1	-177	178	169.7	-172.6	0	113	P851 E874 S875 D917 Y919	P851-K854 PolarHBondContact O-N 3.04Å; K854-E874 WeakPolarHBondContact CE-OE1 3.43Å; K854-E874 HydrophobicContact CG-CG 4.4Å; K854-E874 IonicContact NZ-OE1 2.72Å; K854-E874 PolarHBondContact NZ-OE1 3.05Å; K854-S875 PolarHBondContact O-N 3.34Å; K854-S875 PolarHBondContact O-OG 3.09Å; K854-D917 IonicContact NZ-OD2 3.29Å; K854-D917 PolarHBondContact NZ-OD2 3.03Å; K854-Y919 WeakPolarHBondContact CD-OH 3.4Å
855	Y	97.1	Very high	89.9	Confident	3 Å²	3	76.8 Å²	76.8	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.2	-176.7	-51.6	-83.6	0	0	0	111.8	P851 I873 E874 V881 I883 D917 Y919 V928	P851-Y855 HydrophobicContact CB-CD2 4.27Å; P851-Y855 PolarHBondContact O-N 2.99Å; Y855-I873 CarbonylContact C-O 3.56Å; Y855-I873 VanDerWaalsContact CA-O 3.31Å; Y855-I873 WeakPolarHBondContact CA-O 3.31Å; Y855-E874 HydrophobicContact CD1-CB 3.82Å; Y855-E874 HydrophobicContact CD1-CG 4.2Å; Y855-E874 HydrophobicContact CE1-CB 3.83Å; Y855-E874 HydrophobicContact CE1-CG 3.89Å; Y855-V881 HydrophobicContact CD1-CG2 3.84Å; Y855-V881 HydrophobicContact CE1-CG1 4.39Å; Y855-V881 HydrophobicContact CE1-CG2 4.36Å; Y855-I883 HydrophobicContact CG-CD1 4.47Å; Y855-D917 VanDerWaalsContact OH-CB 3.3Å; Y855-D917 WeakPolarHBondContact OH-CB 3.33Å; Y855-D917 PolarHBondContact OH-OD2 2.97Å; Y855-D917 VanDerWaalsContact OH-OD2 3.07Å; Y855-Y919 AromaticContact CE2-CE2 3.69Å; Y855-Y919 HydrophobicContact CE2-CE2 3.69Å; Y855-V928 HydrophobicContact CD1-CG1 4.27Å; Y855-V928 HydrophobicContact CD2-CG2 4.35Å; Y855-V928 HydrophobicContact CE1-CG1 3.75Å; Y855-V928 HydrophobicContact CE2-CG1 4.45Å; Y855-V928 HydrophobicContact CE2-CG2 3.97Å
856	Q	96	Very high	89.1	Confident	119 Å²	119	76.4 Å²	76.4	56%	0.556	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.2	163.9	-174.1	176.5	19.3	0	0	108.9	L858 G872 I873	Q856-L858 HydrophobicContact CG-CD2 4.37Å; Q856-G872 CarbonylContact O-C 3.54Å; Q856-G872 WeakPolarHBondContact O-CA 3.3Å; Q856-I873 PolarHBondContact N-O 3.25Å; Q856-I873 PolarHBondContact O-N 2.94Å
857	R	94.1	Very high	88.5	Confident	72 Å²	72	76.5 Å²	76.5	27%	0.272	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137	170.3	-172.9	-173	-65.1	-151.1	-3.9	109.7	Y870	R857-Y870 HydrophobicContact CG-CD1 3.88Å; R857-Y870 HydrophobicContact CG-CD2 4.5Å; R857-Y870 HydrophobicContact CG-CG 3.81Å; R857-Y870 PolarHBondContact NH1-OH 2.67Å
858	L	94.3	Very high	88.3	Confident	72 Å²	72	75.9 Å²	75.9	38%	0.377	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-136.9	174.5	-59.7	179.4	0	0	0	109.8	Q856 S871 I873	Q856-L858 HydrophobicContact CG-CD2 4.37Å; L858-S871 PolarHBondContact N-O 3.48Å; L858-I873 HydrophobicContact CD1-CD1 3.91Å; L858-I873 HydrophobicContact CD1-CG1 3.93Å
859	E	93.2	Very high	88.2	Confident	120 Å²	120	69.1 Å²	69.1	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	155.5	179.2	56.6	-175.7	-174	0	0	113.5	I861 Y870 S871	E859-I861 HydrophobicContact CG-CG2 4.06Å; E859-Y870 CarbonylContact O-C 3.54Å; E859-Y870 VanDerWaalsContact O-CA 3.25Å; E859-Y870 WeakPolarHBondContact O-CA 3.4Å; E859-Y870 WeakPolarHBondContact O-CB 3.46Å; E859-S871 WeakPolarHBondContact CG-OG 3.38Å; E859-S871 PolarHBondContact O-N 2.98Å
860	K	93	Very high	88.4	Confident	117 Å²	117	69.1 Å²	69.1	51%	0.509	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.4	171.3	179.2	-165.8	178	-165.2	0	108.4	V868 Y870	K860-V868 HydrophobicContact CD-CG1 4.07Å; K860-V868 HydrophobicContact CG-CG1 3.72Å; K860-Y870 HydrophobicContact CB-CD1 3.94Å; K860-Y870 HydrophobicContact CB-CE1 3.94Å; K860-Y870 HydrophobicContact CG-CD1 4.5Å; K860-Y870 HydrophobicContact CG-CE1 4.29Å
861	I	89.3	Confident	88.5	Confident	69 Å²	69	66.6 Å²	66.6	35%	0.354	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-12.1	-177.8	63.9	176.7	0	0	0	113.6	E859 V869 A882 Y931	E859-I861 HydrophobicContact CG-CG2 4.06Å; I861-V869 HydrophobicContact CD1-CG1 3.81Å; I861-V869 HydrophobicContact CG1-CB 4.03Å; I861-V869 HydrophobicContact CG1-CG1 3.79Å; I861-V869 PolarHBondContact N-O 2.91Å; I861-A882 HydrophobicContact CD1-CB 4.47Å; I861-Y931 HydrophobicContact CD1-CD2 4.05Å; I861-Y931 HydrophobicContact CD1-CE2 3.65Å; I861-Y931 HydrophobicContact CG2-CE2 4.38Å
862	G	82.5	Confident	88.6	Confident	28 Å²	28	66.7 Å²	66.7	29%	0.289	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	166.3	177.4	0	0	0	0	0	114.2	V868 V869	G862-V868 WeakPolarHBondContact O-CG1 3.44Å; G862-V869 PolarHBondContact N-O 3.35Å; G862-V869 VanDerWaalsContact N-O 3.1Å; G862-V869 PolarHBondContact O-N 3.44Å
863	Q	80.9	Confident	88.7	Confident	138 Å²	138	64.5 Å²	64.5	65%	0.645	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.8	123.1	171.2	175.5	173.5	-15.7	0	0	109.7	V868	Q863-V868 HydrophobicContact CB-CG2 4.48Å; Q863-V868 HydrophobicContact CG-CG2 4.08Å
864	G	70.5	Confident	88.9	Confident	50 Å²	50	55.7 Å²	55.7	52%	0.515	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-174.9	178.9	0	0	0	0	0	112.1	S866 G867	G864-S866 PolarHBondContact O-N 2.86Å; G864-G867 PolarHBondContact N-O 3.34Å; G864-G867 PolarHBondContact O-N 2.88Å; G864-G867 VanDerWaalsContact O-N 3.1Å; G864-G867 VanDerWaalsContact O-O 3.1Å
865	A	65.7	Low	88.8	Confident	90 Å²	90	56.4 Å²	56.4	74%	0.744	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.6	-178.1	0	0	0	0	0	113.7	Q891	A865-Q891 PolarHBondContact O-NE2 3.48Å
866	S	70.8	Confident	88.7	Confident	21 Å²	21	60.7 Å²	60.7	15%	0.147	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-29.6	176.9	-52.5	0	0	0	0	113.7	G864 M886 Q891	G864-S866 PolarHBondContact O-N 2.86Å; S866-M886 WeakPolarHBondContact O-CB 3.16Å; S866-M886 VanDerWaalsContact O-CG 3.27Å; S866-M886 WeakPolarHBondContact O-CG 3.46Å; S866-Q891 PolarHBondContact O-NE2 3.14Å
867	G	79.7	Confident	88.7	Confident	18 Å²	18	59 Å²	59	19%	0.186	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-161.1	-171.5	0	0	0	0	0	114.3	G864 Q885	G864-G867 PolarHBondContact N-O 3.34Å; G864-G867 PolarHBondContact O-N 2.88Å; G864-G867 VanDerWaalsContact O-N 3.1Å; G864-G867 VanDerWaalsContact O-O 3.1Å; G867-Q885 WeakPolarHBondContact CA-O 3.23Å
868	V	89.2	Confident	88.7	Confident	28 Å²	28	58.1 Å²	58.1	17%	0.17	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.4	-179.7	-174.2	0	0	0	0	109.6	K860 G862 Q863 Y870 Q885	K860-V868 HydrophobicContact CD-CG1 4.07Å; K860-V868 HydrophobicContact CG-CG1 3.72Å; G862-V868 WeakPolarHBondContact O-CG1 3.44Å; Q863-V868 HydrophobicContact CB-CG2 4.48Å; Q863-V868 HydrophobicContact CG-CG2 4.08Å; V868-Y870 HydrophobicContact CB-CE2 3.81Å; V868-Y870 HydrophobicContact CG1-CD2 4.16Å; V868-Y870 HydrophobicContact CG1-CE1 4.15Å; V868-Y870 HydrophobicContact CG1-CE2 3.46Å; V868-Y870 VanDerWaalsContact CG1-CE2 3.46Å; V868-Y870 VanDerWaalsContact CG1-CZ 3.45Å; V868-Q885 PolarHBondContact N-O 3.09Å; V868-Q885 PolarHBondContact O-N 3.15Å
869	V	92	Very high	88.8	Confident	30 Å²	30	59.6 Å²	59.6	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.4	175.9	-164.2	0	0	0	0	109.5	I861 G862 I883 K884	I861-V869 HydrophobicContact CD1-CG1 3.81Å; I861-V869 HydrophobicContact CG1-CB 4.03Å; I861-V869 HydrophobicContact CG1-CG1 3.79Å; I861-V869 PolarHBondContact N-O 2.91Å; G862-V869 PolarHBondContact N-O 3.35Å; G862-V869 VanDerWaalsContact N-O 3.1Å; G862-V869 PolarHBondContact O-N 3.44Å; V869-I883 WeakPolarHBondContact CA-O 3.48Å; V869-K884 HydrophobicContact CG2-CB 4.39Å; V869-K884 HydrophobicContact CG2-CG 4.27Å
870	Y	95.5	Very high	88.9	Confident	44 Å²	44	60.1 Å²	60.1	17%	0.173	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	174.4	-56.7	-94.9	0	0	0	109.7	R857 E859 K860 V868 I883 Q885	R857-Y870 HydrophobicContact CG-CD1 3.88Å; R857-Y870 HydrophobicContact CG-CD2 4.5Å; R857-Y870 HydrophobicContact CG-CG 3.81Å; R857-Y870 PolarHBondContact NH1-OH 2.67Å; E859-Y870 CarbonylContact O-C 3.54Å; E859-Y870 VanDerWaalsContact O-CA 3.25Å; E859-Y870 WeakPolarHBondContact O-CA 3.4Å; E859-Y870 WeakPolarHBondContact O-CB 3.46Å; K860-Y870 HydrophobicContact CB-CD1 3.94Å; K860-Y870 HydrophobicContact CB-CE1 3.94Å; K860-Y870 HydrophobicContact CG-CD1 4.5Å; K860-Y870 HydrophobicContact CG-CE1 4.29Å; V868-Y870 HydrophobicContact CB-CE2 3.81Å; V868-Y870 HydrophobicContact CG1-CD2 4.16Å; V868-Y870 HydrophobicContact CG1-CE1 4.15Å; V868-Y870 HydrophobicContact CG1-CE2 3.46Å; V868-Y870 VanDerWaalsContact CG1-CE2 3.46Å; V868-Y870 VanDerWaalsContact CG1-CZ 3.45Å; Y870-I883 PolarHBondContact N-O 3.29Å; Y870-I883 PolarHBondContact O-N 3.19Å; Y870-Q885 HydrophobicContact CE2-CB 4.28Å; Y870-Q885 VanDerWaalsContact CE2-OE1 3.3Å
871	S	95.4	Very high	89.1	Confident	8 Å²	8	54.6 Å²	54.6	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	160.9	156.7	66.5	0	0	0	0	109.3	L858 E859 V881	L858-S871 PolarHBondContact N-O 3.48Å; E859-S871 WeakPolarHBondContact CG-OG 3.38Å; E859-S871 PolarHBondContact O-N 2.98Å; S871-V881 CarbonylContact C-O 3.51Å; S871-V881 WeakPolarHBondContact CA-O 3.41Å
872	G	96.7	Very high	89.5	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	172	179.5	0	0	0	0	0	111.9	Q856 R880 V881	Q856-G872 CarbonylContact O-C 3.54Å; Q856-G872 WeakPolarHBondContact O-CA 3.3Å; G872-R880 WeakPolarHBondContact O-CA 3.4Å; G872-V881 PolarHBondContact N-O 3.34Å; G872-V881 PolarHBondContact O-N 3.34Å
873	I	97.4	Very high	90.1	Very high	49 Å²	49	50.4 Å²	50.4	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.2	173.4	-70.4	170.1	0	0	0	108.6	Y855 Q856 L858 S875 R879	Y855-I873 CarbonylContact C-O 3.56Å; Y855-I873 VanDerWaalsContact CA-O 3.31Å; Y855-I873 WeakPolarHBondContact CA-O 3.31Å; Q856-I873 PolarHBondContact N-O 3.25Å; Q856-I873 PolarHBondContact O-N 2.94Å; L858-I873 HydrophobicContact CD1-CD1 3.91Å; L858-I873 HydrophobicContact CD1-CG1 3.93Å; I873-S875 PolarHBondContact O-N 2.92Å; I873-R879 WeakPolarHBondContact CA-O 3.21Å
874	E	96.9	Very high	90.6	Very high	28 Å²	28	44 Å²	44	13%	0.131	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.7	168.2	-179.6	178.1	-131.7	0	0	109.6	K854 Y855 S876 T877 G878 R879	K854-E874 WeakPolarHBondContact CE-OE1 3.43Å; K854-E874 HydrophobicContact CG-CG 4.4Å; K854-E874 IonicContact NZ-OE1 2.72Å; K854-E874 PolarHBondContact NZ-OE1 3.05Å; Y855-E874 HydrophobicContact CD1-CB 3.82Å; Y855-E874 HydrophobicContact CD1-CG 4.2Å; Y855-E874 HydrophobicContact CE1-CB 3.83Å; Y855-E874 HydrophobicContact CE1-CG 3.89Å; E874-S876 PolarHBondContact O-N 3.22Å; E874-T877 WeakPolarHBondContact CB-OG1 3.46Å; E874-T877 HydrophobicContact CG-CG2 4.43Å; E874-T877 PolarHBondContact O-N 3.43Å; E874-T877 VanDerWaalsContact O-N 3.08Å; E874-T877 WeakPolarHBondContact OE2-CB 3.33Å; E874-T877 WeakPolarHBondContact OE2-CG2 3.46Å; E874-T877 PolarHBondContact OE2-OG1 3.5Å; E874-G878 PolarHBondContact O-N 3.13Å; E874-R879 HydrophobicContact CB-CB 4.45Å; E874-R879 PolarHBondContact N-O 3.04Å
875	S	94.9	Very high	91.6	Very high	79 Å²	79	43 Å²	43	55%	0.552	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	-169	-52.2	0	0	0	0	114.2	K854 I873	K854-S875 PolarHBondContact O-N 3.34Å; K854-S875 PolarHBondContact O-OG 3.09Å; I873-S875 PolarHBondContact O-N 2.92Å
876	S	94.8	Very high	92.6	Very high	93 Å²	93	38.8 Å²	38.8	65%	0.65	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.1	179.4	52.1	0	0	0	0	114.7	E874	E874-S876 PolarHBondContact O-N 3.22Å
877	T	96	Very high	93.5	Very high	85 Å²	85	40.2 Å²	40.2	52%	0.521	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-14.9	-173.5	63.9	0	0	0	0	114	E874 R879	E874-T877 WeakPolarHBondContact CB-OG1 3.46Å; E874-T877 HydrophobicContact CG-CG2 4.43Å; E874-T877 PolarHBondContact O-N 3.43Å; E874-T877 VanDerWaalsContact O-N 3.08Å; E874-T877 WeakPolarHBondContact OE2-CB 3.33Å; E874-T877 WeakPolarHBondContact OE2-CG2 3.46Å; E874-T877 PolarHBondContact OE2-OG1 3.5Å; T877-R879 PolarHBondContact O-N 2.87Å; T877-R879 WeakPolarHBondContact OG1-CB 3.46Å; T877-R879 PolarHBondContact OG1-N 3.16Å
878	G	95.1	Very high	93.8	Very high	52 Å²	52	39.5 Å²	39.5	54%	0.536	22%	0.221	S	C	.	.			trans	72.2	1.6	-170.3	0	0	0	0	0	113.9	E874 R880	E874-G878 PolarHBondContact O-N 3.13Å; G878-R880 PolarHBondContact O-N 2.86Å
879	R	95.2	Very high	93.5	Very high	103 Å²	103	44.9 Å²	44.9	39%	0.389	24%	0.242	S	C	.	.			trans	-66.8	131.3	-176.5	179.7	179.2	-179.4	153.6	10	111.5	I873 E874 T877 V881 E930	I873-R879 WeakPolarHBondContact CA-O 3.21Å; E874-R879 HydrophobicContact CB-CB 4.45Å; E874-R879 PolarHBondContact N-O 3.04Å; T877-R879 PolarHBondContact O-N 2.87Å; T877-R879 WeakPolarHBondContact OG1-CB 3.46Å; T877-R879 PolarHBondContact OG1-N 3.16Å; R879-V881 HydrophobicContact CG-CG1 4.38Å; R879-E930 IonicContact NH2-OE2 3.27Å
880	R	96.6	Very high	93	Very high	132 Å²	132	51.5 Å²	51.5	50%	0.498	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.5	166.5	-72.9	-176.5	166.3	-144.5	-12.5	111.6	G872 G878 Y931 D933	G872-R880 WeakPolarHBondContact O-CA 3.4Å; G878-R880 PolarHBondContact O-N 2.86Å; R880-Y931 HydrophobicContact CB-CD1 4.3Å; R880-Y931 HydrophobicContact CB-CG 4.46Å; R880-D933 WeakPolarHBondContact CD-OD1 3.36Å; R880-D933 IonicContact CZ-OD1 2.67Å; R880-D933 IonicContact NE-OD1 3.32Å; R880-D933 IonicContact NH1-OD1 2.81Å; R880-D933 PolarHBondContact NH1-OD1 3.14Å
881	V	96.8	Very high	92	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.4	-179.7	-62.9	0	0	0	0	111.3	Y855 S871 G872 R879 I883 L916 V928 M929	Y855-V881 HydrophobicContact CD1-CG2 3.84Å; Y855-V881 HydrophobicContact CE1-CG1 4.39Å; Y855-V881 HydrophobicContact CE1-CG2 4.36Å; S871-V881 CarbonylContact C-O 3.51Å; S871-V881 WeakPolarHBondContact CA-O 3.41Å; G872-V881 PolarHBondContact N-O 3.34Å; G872-V881 PolarHBondContact O-N 3.34Å; R879-V881 HydrophobicContact CG-CG1 4.38Å; V881-I883 HydrophobicContact CG2-CD1 4.13Å; V881-I883 HydrophobicContact CG2-CG1 3.99Å; V881-L916 HydrophobicContact CB-CD1 4.41Å; V881-L916 HydrophobicContact CG1-CD1 3.57Å; V881-V928 HydrophobicContact CB-CG1 3.88Å; V881-V928 HydrophobicContact CG1-CG1 4.2Å; V881-V928 HydrophobicContact CG2-CG1 4.1Å; V881-M929 WeakPolarHBondContact CA-O 3.21Å; V881-M929 WeakPolarHBondContact CB-O 3.49Å
882	A	96.3	Very high	90.8	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.4	167.5	0	0	0	0	0	109.6	I861 V928 M929 Y931	I861-A882 HydrophobicContact CD1-CB 4.47Å; A882-V928 WeakPolarHBondContact O-CA 3.41Å; A882-M929 HydrophobicContact CB-CB 4.39Å; A882-M929 HydrophobicContact CB-CE 4.31Å; A882-M929 PolarHBondContact N-O 3.23Å; A882-M929 PolarHBondContact O-N 3.18Å; A882-Y931 HydrophobicContact CB-CD2 4.37Å
883	I	95	Very high	89.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.6	-173.9	-56.2	177.5	0	0	0	109	Y855 V869 Y870 V881 W926 V928	Y855-I883 HydrophobicContact CG-CD1 4.47Å; V869-I883 WeakPolarHBondContact CA-O 3.48Å; Y870-I883 PolarHBondContact N-O 3.29Å; Y870-I883 PolarHBondContact O-N 3.19Å; V881-I883 HydrophobicContact CG2-CD1 4.13Å; V881-I883 HydrophobicContact CG2-CG1 3.99Å; I883-W926 HydrophobicContact CG2-CD2 4.17Å; I883-W926 HydrophobicContact CG2-CE3 3.39Å; I883-W926 HydrophobicContact CG2-CZ3 3.91Å; I883-V928 HydrophobicContact CG1-CG1 4.48Å
884	K	91.7	Very high	88.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	104.1	177.3	-175.7	176.8	-179.1	-178.1	0	109.1	V869 M886 E900 W926 V927 M929 D992	V869-K884 HydrophobicContact CG2-CB 4.39Å; V869-K884 HydrophobicContact CG2-CG 4.27Å; K884-M886 HydrophobicContact CD-SD 4.17Å; K884-M886 HydrophobicContact CG-CG 4.01Å; K884-M886 HydrophobicContact CG-SD 4.15Å; K884-E900 IonicContact NZ-OE1 3.49Å; K884-E900 PolarHBondContact NZ-OE1 2.91Å; K884-W926 WeakPolarHBondContact O-CA 3.22Å; K884-V927 HydrophobicContact CB-CB 4.44Å; K884-V927 PolarHBondContact N-O 2.9Å; K884-V927 PolarHBondContact O-N 3.45Å; K884-M929 HydrophobicContact CB-CE 3.89Å; K884-M929 HydrophobicContact CD-CE 4.43Å; K884-D992 IonicContact NZ-OD1 2.77Å; K884-D992 PolarHBondContact NZ-OD1 3.26Å; K884-D992 IonicContact NZ-OD2 2.66Å
885	Q	91.9	Very high	87.6	Confident	28 Å²	28	62.4 Å²	62.4	13%	0.131	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.9	179.5	-174.9	-176.2	20.3	0	0	109.9	G867 V868 Y870 E924	G867-Q885 WeakPolarHBondContact CA-O 3.23Å; V868-Q885 PolarHBondContact N-O 3.09Å; V868-Q885 PolarHBondContact O-N 3.15Å; Y870-Q885 HydrophobicContact CE2-CB 4.28Å; Y870-Q885 VanDerWaalsContact CE2-OE1 3.3Å; Q885-E924 PolarHBondContact NE2-OE1 3.36Å; Q885-E924 PolarHBondContact NE2-OE2 2.93Å
886	M	87.8	Confident	86.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.2	-173.2	-56.7	-170.9	-78.1	0	0	110.7	S866 K884 L888 I897 L925 V927	S866-M886 WeakPolarHBondContact O-CB 3.16Å; S866-M886 VanDerWaalsContact O-CG 3.27Å; S866-M886 WeakPolarHBondContact O-CG 3.46Å; K884-M886 HydrophobicContact CD-SD 4.17Å; K884-M886 HydrophobicContact CG-CG 4.01Å; K884-M886 HydrophobicContact CG-SD 4.15Å; M886-L888 PolarHBondContact O-N 2.86Å; M886-I897 HydrophobicContact CE-CG2 3.86Å; M886-L925 HydrophobicContact CE-CD2 4.03Å; M886-L925 HydrophobicContact CE-CG 4.16Å; M886-L925 PolarHBondContact N-O 3.08Å; M886-L925 PolarHBondContact O-N 3.4Å; M886-V927 HydrophobicContact CE-CG2 3.68Å
887	N	88.1	Confident	86	Confident	51 Å²	51	56.8 Å²	56.8	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.6	177	-174	-73.2	0	0	0	109.9	K889 K890	N887-K889 VanDerWaalsContact C-N 3.27Å; N887-K889 PolarHBondContact O-N 3.46Å; N887-K889 PolarHBondContact OD1-N 2.89Å; N887-K890 HydrophobicContact CB-CD 4.46Å; N887-K890 HydrophobicContact CB-CG 4.49Å; N887-K890 PolarHBondContact O-N 2.53Å; N887-K890 PolarHBondContact OD1-N 3.44Å
888	L	86.1	Confident	85.3	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.4	-33.5	-172.2	-68.5	177.3	0	0	0	113.3	L842 M886 K890 Q891 K894 I897 L920 D923 L925	L842-L888 HydrophobicContact CD1-CD1 3.62Å; L842-L888 HydrophobicContact CD1-CD2 3.96Å; L842-L888 HydrophobicContact CD1-CG 4.46Å; M886-L888 PolarHBondContact O-N 2.86Å; L888-K890 PolarHBondContact O-N 3.4Å; L888-Q891 PolarHBondContact O-N 2.93Å; L888-K894 VanDerWaalsContact O-CD 3.28Å; L888-K894 WeakPolarHBondContact O-CD 3.24Å; L888-K894 WeakPolarHBondContact O-CE 3.18Å; L888-I897 HydrophobicContact CD2-CD1 3.91Å; L888-L920 HydrophobicContact CD1-CD1 3.59Å; L888-D923 WeakPolarHBondContact CB-O 3.47Å; L888-D923 WeakPolarHBondContact CG-O 3.18Å; L888-D923 PolarHBondContact N-O 3.22Å; L888-L925 HydrophobicContact CD1-CB 4.43Å; L888-L925 HydrophobicContact CD2-CB 4.08Å; L888-L925 HydrophobicContact CD2-CD2 3.84Å; L888-L925 HydrophobicContact CG-CB 4.11Å
889	K	84.1	Confident	84.3	Confident	140 Å²	140	52.9 Å²	52.9	61%	0.609	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.3	-26.1	177.4	-79.1	172.1	168.8	155.1	0	113.1	N887 D923	N887-K889 VanDerWaalsContact C-N 3.27Å; N887-K889 PolarHBondContact O-N 3.46Å; N887-K889 PolarHBondContact OD1-N 2.89Å; K889-D923 HydrophobicContact CD-CB 4.17Å; K889-D923 WeakPolarHBondContact CD-OD1 3.46Å; K889-D923 WeakPolarHBondContact CE-OD1 3.43Å; K889-D923 VanDerWaalsContact CE-OD2 3.28Å; K889-D923 WeakPolarHBondContact CE-OD2 3.28Å; K889-D923 HydrophobicContact CG-CB 4.24Å; K889-D923 VanDerWaalsContact NZ-CG 3.3Å; K889-D923 IonicContact NZ-OD1 2.67Å; K889-D923 PolarHBondContact NZ-OD1 3.25Å; K889-D923 IonicContact NZ-OD2 3.98Å; K889-D923 PolarHBondContact NZ-OD2 2.8Å
890	K	80.7	Confident	83.3	Confident	170 Å²	170	48.2 Å²	48.2	74%	0.739	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-89.7	-7.7	177.6	-64.1	-175.2	179.4	-176.1	0	114	N887 L888	N887-K890 HydrophobicContact CB-CD 4.46Å; N887-K890 HydrophobicContact CB-CG 4.49Å; N887-K890 PolarHBondContact O-N 2.53Å; N887-K890 PolarHBondContact OD1-N 3.44Å; L888-K890 PolarHBondContact O-N 3.4Å
891	Q	74.2	Confident	82.5	Confident	29 Å²	29	42 Å²	42	14%	0.136	21%	0.206	C	C	.	.			trans	-88.7	122.9	-175.9	-70.1	-57.4	-45.4	0	0	111.7	A865 S866 L888 K893 K894 I897	A865-Q891 PolarHBondContact O-NE2 3.48Å; S866-Q891 PolarHBondContact O-NE2 3.14Å; L888-Q891 PolarHBondContact O-N 2.93Å; Q891-K893 VanDerWaalsContact C-N 3.34Å; Q891-K893 PolarHBondContact O-N 3.34Å; Q891-K894 HydrophobicContact CB-CG 4.09Å; Q891-K894 WeakPolarHBondContact O-CE 3.48Å; Q891-K894 WeakPolarHBondContact O-CG 3.27Å; Q891-I897 HydrophobicContact CB-CD1 3.86Å; Q891-I897 HydrophobicContact CG-CD1 3.8Å
892	P	70.6	Confident	81.8	Confident	111 Å²	111	47.5 Å²	47.5	72%	0.721	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.5	-171	31.1	-36.6	0	0	0	114.4
893	K	71.2	Confident	80.9	Confident	101 Å²	101	47.2 Å²	47.2	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	58.2	-175.6	-64.5	172.8	-173.9	152.7	0	110.4	Q891 E895 L896	Q891-K893 VanDerWaalsContact C-N 3.34Å; Q891-K893 PolarHBondContact O-N 3.34Å; K893-E895 WeakPolarHBondContact CA-OE2 3.37Å; K893-E895 PolarHBondContact O-N 2.79Å; K893-E895 VanDerWaalsContact O-N 3.12Å; K893-L896 HydrophobicContact CB-CD1 3.74Å; K893-L896 HydrophobicContact CB-CG 4.03Å; K893-L896 HydrophobicContact CD-CD1 4.04Å; K893-L896 HydrophobicContact CG-CD1 4.5Å; K893-L896 WeakPolarHBondContact O-CB 3.46Å; K893-L896 PolarHBondContact O-N 3.39Å
894	K	77.6	Confident	80.1	Confident	33 Å²	33	47.7 Å²	47.7	14%	0.143	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-26.1	-172.2	-48.1	177	-158.5	171.6	0	112.7	D835 I838 L888 Q891 L896 I897	D835-K894 VanDerWaalsContact OD1-CD 3.31Å; D835-K894 WeakPolarHBondContact OD1-CD 3.32Å; D835-K894 WeakPolarHBondContact OD1-CE 3.44Å; D835-K894 IonicContact OD1-NZ 2.89Å; D835-K894 PolarHBondContact OD1-NZ 2.92Å; D835-K894 IonicContact OD2-NZ 2.67Å; D835-K894 PolarHBondContact OD2-NZ 3.39Å; I838-K894 HydrophobicContact CD1-CB 4.1Å; I838-K894 HydrophobicContact CG2-CB 3.9Å; L888-K894 VanDerWaalsContact O-CD 3.28Å; L888-K894 WeakPolarHBondContact O-CD 3.24Å; L888-K894 WeakPolarHBondContact O-CE 3.18Å; Q891-K894 HydrophobicContact CB-CG 4.09Å; Q891-K894 WeakPolarHBondContact O-CE 3.48Å; Q891-K894 WeakPolarHBondContact O-CG 3.27Å; K894-L896 PolarHBondContact O-N 3.31Å; K894-I897 PolarHBondContact O-N 3.09Å; K894-I897 VanDerWaalsContact O-N 3.14Å
895	E	75.6	Confident	79.8	Confident	85 Å²	85	51.6 Å²	51.6	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-24.8	175.2	72.9	-81.5	-162.4	0	0	113.4	I838 K893	I838-E895 HydrophobicContact CD1-CB 4.03Å; K893-E895 WeakPolarHBondContact CA-OE2 3.37Å; K893-E895 PolarHBondContact O-N 2.79Å; K893-E895 VanDerWaalsContact O-N 3.12Å
896	L	75.6	Confident	79.3	Confident	46 Å²	46	53.9 Å²	53.9	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-73.1	-31.3	175	-61.3	179.3	0	0	0	112.1	K893 K894 V898 N899 E900	K893-L896 HydrophobicContact CB-CD1 3.74Å; K893-L896 HydrophobicContact CB-CG 4.03Å; K893-L896 HydrophobicContact CD-CD1 4.04Å; K893-L896 HydrophobicContact CG-CD1 4.5Å; K893-L896 WeakPolarHBondContact O-CB 3.46Å; K893-L896 PolarHBondContact O-N 3.39Å; K894-L896 PolarHBondContact O-N 3.31Å; L896-V898 VanDerWaalsContact C-N 3.33Å; L896-V898 PolarHBondContact O-N 3.06Å; L896-N899 CarbonylContact O-C 3.57Å; L896-N899 WeakPolarHBondContact O-CA 3.4Å; L896-N899 WeakPolarHBondContact O-CB 3.36Å; L896-N899 PolarHBondContact O-N 3.48Å; L896-E900 PolarHBondContact O-N 3.03Å
897	I	80.9	Confident	78.8	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-33.3	-175.9	-46.5	172.3	0	0	0	111.1	M886 L888 Q891 K894 N899 E900 I901 L925	M886-I897 HydrophobicContact CE-CG2 3.86Å; L888-I897 HydrophobicContact CD2-CD1 3.91Å; Q891-I897 HydrophobicContact CB-CD1 3.86Å; Q891-I897 HydrophobicContact CG-CD1 3.8Å; K894-I897 PolarHBondContact O-N 3.09Å; K894-I897 VanDerWaalsContact O-N 3.14Å; I897-N899 PolarHBondContact O-N 2.88Å; I897-E900 PolarHBondContact O-N 2.93Å; I897-I901 HydrophobicContact CG2-CD1 4.4Å; I897-I901 PolarHBondContact O-N 3.47Å; I897-L925 HydrophobicContact CG2-CD2 3.5Å; I897-L925 VanDerWaalsContact CG2-CD2 3.5Å
898	V	81.2	Confident	78.9	Confident	17 Å²	17	59.9 Å²	59.9	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-40.1	170.5	-176.8	0	0	0	0	110.6	I838 K841 L842 I845 L896 Y902	I838-V898 HydrophobicContact CG2-CG2 3.98Å; K841-V898 HydrophobicContact CB-CG1 3.99Å; K841-V898 HydrophobicContact CD-CG1 4.26Å; L842-V898 HydrophobicContact CD2-CG2 4.04Å; L842-V898 HydrophobicContact CG-CG2 4.07Å; I845-V898 HydrophobicContact CD1-CG1 3.88Å; L896-V898 VanDerWaalsContact C-N 3.33Å; L896-V898 PolarHBondContact O-N 3.06Å; V898-Y902 VanDerWaalsContact O-CB 3.27Å; V898-Y902 WeakPolarHBondContact O-CB 3.42Å; V898-Y902 PolarHBondContact O-N 3.15Å; V898-Y902 VanDerWaalsContact O-N 3.14Å
899	N	73.5	Confident	79.2	Confident	38 Å²	38	61.8 Å²	61.8	20%	0.203	29%	0.292	C	S	.	.	H	α-helix	trans	-75.4	-39.7	177.5	-173	98.2	0	0	0	112.2	L896 I897 Y902 V903	L896-N899 CarbonylContact O-C 3.57Å; L896-N899 WeakPolarHBondContact O-CA 3.4Å; L896-N899 WeakPolarHBondContact O-CB 3.36Å; L896-N899 PolarHBondContact O-N 3.48Å; I897-N899 PolarHBondContact O-N 2.88Å; N899-Y902 PolarHBondContact O-N 2.94Å; N899-V903 WeakPolarHBondContact O-CB 3.37Å; N899-V903 VanDerWaalsContact O-CG2 3.29Å; N899-V903 WeakPolarHBondContact O-CG2 3.41Å; N899-V903 PolarHBondContact O-N 3.06Å
900	E	73.4	Confident	79.8	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-52.9	-57.6	173.4	179.5	179.4	-171.4	0	0	110.4	K884 L896 I897 Y902 V903 M904 F993 G994	K884-E900 IonicContact NZ-OE1 3.49Å; K884-E900 PolarHBondContact NZ-OE1 2.91Å; L896-E900 PolarHBondContact O-N 3.03Å; I897-E900 PolarHBondContact O-N 2.93Å; E900-Y902 PolarHBondContact O-N 3.38Å; E900-V903 PolarHBondContact O-N 3.45Å; E900-M904 HydrophobicContact CG-SD 4.11Å; E900-M904 WeakPolarHBondContact O-CG 3.46Å; E900-M904 PolarHBondContact O-N 3.25Å; E900-F993 HydrophobicContact CG-CB 4Å; E900-G994 PolarHBondContact OE1-N 3.42Å; E900-G994 WeakPolarHBondContact OE2-CA 3.17Å
901	I	81.1	Confident	80.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-41.6	-179	-63.9	178.9	0	0	0	111.5	L842 I845 I897 V903 M904 K905 Y915 L925 V927	L842-I901 HydrophobicContact CD2-CD1 4.27Å; I845-I901 HydrophobicContact CG2-CG2 3.6Å; I897-I901 HydrophobicContact CG2-CD1 4.4Å; I897-I901 PolarHBondContact O-N 3.47Å; I901-V903 PolarHBondContact O-N 2.97Å; I901-M904 PolarHBondContact O-N 2.89Å; I901-K905 WeakPolarHBondContact O-CB 3.23Å; I901-K905 PolarHBondContact O-N 3Å; I901-Y915 HydrophobicContact CG2-CE2 4.01Å; I901-L925 HydrophobicContact CD1-CD1 3.8Å; I901-L925 HydrophobicContact CD1-CD2 3.77Å; I901-L925 HydrophobicContact CD1-CG 4.09Å; I901-V927 HydrophobicContact CD1-CG2 3.6Å; I901-V927 HydrophobicContact CG1-CG2 3.87Å
902	Y	81.8	Confident	81.5	Confident	116 Å²	116	50.9 Å²	50.9	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.9	179.4	-96.6	0	0	0	112.1	V898 N899 E900 V906	V898-Y902 VanDerWaalsContact O-CB 3.27Å; V898-Y902 WeakPolarHBondContact O-CB 3.42Å; V898-Y902 PolarHBondContact O-N 3.15Å; V898-Y902 VanDerWaalsContact O-N 3.14Å; N899-Y902 PolarHBondContact O-N 2.94Å; E900-Y902 PolarHBondContact O-N 3.38Å; Y902-V906 HydrophobicContact CD2-CG2 4.19Å; Y902-V906 HydrophobicContact CE2-CG2 3.86Å; Y902-V906 WeakPolarHBondContact O-CB 3.43Å; Y902-V906 WeakPolarHBondContact O-CG2 3.27Å; Y902-V906 PolarHBondContact O-N 3.22Å; Y902-V906 VanDerWaalsContact O-N 3.13Å
903	V	76.4	Confident	82.6	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-52.6	176	169.7	0	0	0	0	110.1	N899 E900 I901 K905 V906 K907 V970 F993	N899-V903 WeakPolarHBondContact O-CB 3.37Å; N899-V903 VanDerWaalsContact O-CG2 3.29Å; N899-V903 WeakPolarHBondContact O-CG2 3.41Å; N899-V903 PolarHBondContact O-N 3.06Å; E900-V903 PolarHBondContact O-N 3.45Å; I901-V903 PolarHBondContact O-N 2.97Å; V903-K905 VanDerWaalsContact C-N 3.33Å; V903-K905 PolarHBondContact O-N 3.41Å; V903-V906 PolarHBondContact O-N 2.95Å; V903-K907 HydrophobicContact CG1-CB 4.35Å; V903-K907 HydrophobicContact CG1-CG 4.48Å; V903-K907 WeakPolarHBondContact O-CA 3.4Å; V903-K907 VanDerWaalsContact O-CB 3.24Å; V903-K907 WeakPolarHBondContact O-CB 3.44Å; V903-K907 PolarHBondContact O-N 3.42Å; V903-V970 HydrophobicContact CG1-CG2 4.44Å; V903-V970 HydrophobicContact CG2-CG2 4.35Å; V903-F993 HydrophobicContact CG1-CD1 4.38Å
904	M	79.5	Confident	83.5	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-35.3	-177.5	-66.1	-178.7	74.9	0	0	113.3	E900 I901 Y915 M929 F993	E900-M904 HydrophobicContact CG-SD 4.11Å; E900-M904 WeakPolarHBondContact O-CG 3.46Å; E900-M904 PolarHBondContact O-N 3.25Å; I901-M904 PolarHBondContact O-N 2.89Å; M904-Y915 HydrophobicContact CB-CD2 4.35Å; M904-Y915 HydrophobicContact CB-CG 4.46Å; M904-Y915 WeakPolarHBondContact O-CB 3.33Å; M904-M929 HydrophobicContact CE-CG 4.34Å; M904-M929 HydrophobicContact CE-SD 3.79Å; M904-F993 HydrophobicContact CE-CD2 4.07Å; M904-F993 HydrophobicContact CG-CB 4.04Å; M904-F993 HydrophobicContact CG-CD2 3.8Å; M904-F993 HydrophobicContact CG-CG 3.9Å; M904-F993 HydrophobicContact SD-CB 4.08Å; M904-F993 HydrophobicContact SD-CD2 3.84Å; M904-F993 HydrophobicContact SD-CG 4.23Å
905	K	84.9	Confident	84.2	Confident	85 Å²	85	42 Å²	42	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-70.5	-36.2	178.4	-171.6	171.4	-166.8	-179.2	0	112.7	I845 I901 V903 Y915	I845-K905 HydrophobicContact CG2-CD 4.23Å; I845-K905 PolarHBondContact O-NZ 3.42Å; I901-K905 WeakPolarHBondContact O-CB 3.23Å; I901-K905 PolarHBondContact O-N 3Å; V903-K905 VanDerWaalsContact C-N 3.33Å; V903-K905 PolarHBondContact O-N 3.41Å; K905-Y915 HydrophobicContact CB-CD1 4.07Å; K905-Y915 HydrophobicContact CB-CE1 3.88Å; K905-Y915 HydrophobicContact CD-CE1 4.02Å; K905-Y915 HydrophobicContact CG-CD1 4.13Å; K905-Y915 HydrophobicContact CG-CE1 3.61Å
906	V	80.9	Confident	85.1	Confident	76 Å²	76	40.3 Å²	40.3	46%	0.461	20%	0.201	S	C	.	.	H	α-helix	trans	-98.4	-28.5	-173.6	178.4	0	0	0	0	113.4	Y902 V903	Y902-V906 HydrophobicContact CD2-CG2 4.19Å; Y902-V906 HydrophobicContact CE2-CG2 3.86Å; Y902-V906 WeakPolarHBondContact O-CB 3.43Å; Y902-V906 WeakPolarHBondContact O-CG2 3.27Å; Y902-V906 PolarHBondContact O-N 3.22Å; Y902-V906 VanDerWaalsContact O-N 3.13Å; V903-V906 PolarHBondContact O-N 2.95Å
907	K	78.7	Confident	85.9	Confident	72 Å²	72	38.8 Å²	38.8	31%	0.313	19%	0.193	S	C	.	.			trans	-113.8	68.5	-169.9	-57.6	-63.8	-178.1	173.7	0	111.7	V903 F964 N968	V903-K907 HydrophobicContact CG1-CB 4.35Å; V903-K907 HydrophobicContact CG1-CG 4.48Å; V903-K907 WeakPolarHBondContact O-CA 3.4Å; V903-K907 VanDerWaalsContact O-CB 3.24Å; V903-K907 WeakPolarHBondContact O-CB 3.44Å; V903-K907 PolarHBondContact O-N 3.42Å; K907-F964 HydrophobicContact CB-CE1 3.9Å; K907-F964 HydrophobicContact CB-CZ 3.81Å; K907-F964 HydrophobicContact CD-CZ 4.45Å; K907-F964 WeakPolarHBondContact O-CE1 3.02Å; K907-N968 VanDerWaalsContact CE-OD1 3.3Å; K907-N968 WeakPolarHBondContact CE-OD1 3.27Å; K907-N968 PolarHBondContact NZ-OD1 2.63Å
908	K	88.3	Confident	86.6	Confident	107 Å²	107	38.4 Å²	38.4	47%	0.465	19%	0.191	S	C	.	.			trans	-73.5	141.6	173.2	-63.2	177.4	179.7	-67.4	0	111.1	N914 Y915 F964	K908-N914 PolarHBondContact NZ-OD1 2.88Å; K908-Y915 PolarHBondContact NZ-O 2.87Å; K908-F964 WeakPolarHBondContact O-CZ 3.33Å
909	H	93.9	Very high	87.2	Confident	43 Å²	43	38.3 Å²	38.3	20%	0.199	19%	0.189	C	C	.	.			trans	-152.4	144.6	177.8	-174.8	-94.9	0	0	0	108.7	N911 V912 F964	H909-N911 VanDerWaalsContact C-N 3.28Å; H909-N911 PolarHBondContact CE1-OD1 2.98Å; H909-N911 VanDerWaalsContact CE1-OD1 3.22Å; H909-N911 PolarHBondContact ND1-N 3.47Å; H909-N911 PolarHBondContact O-N 3.02Å; H909-V912 HydrophobicContact CB-CB 4.05Å; H909-V912 HydrophobicContact CB-CG2 3.93Å; H909-V912 PolarHBondContact O-N 2.91Å; H909-V912 VanDerWaalsContact O-N 3.07Å; H909-V912 VanDerWaalsContact O-O 3.12Å; H909-F964 HydrophobicContact CB-CD1 3.69Å; H909-F964 HydrophobicContact CB-CD2 4.41Å; H909-F964 HydrophobicContact CB-CE1 3.71Å; H909-F964 HydrophobicContact CB-CE2 4.43Å; H909-F964 HydrophobicContact CB-CG 4.05Å; H909-F964 HydrophobicContact CB-CZ 4.08Å; H909-F964 AromaticContact CD2-CD2 3.62Å; H909-F964 AromaticContact CD2-CG 3.45Å; H909-F964 VanDerWaalsContact CD2-CG 3.45Å; H909-F964 WeakPolarHBondContact CD2-CG 3.37Å; H909-F964 AromaticContact CG-CD1 3.89Å; H909-F964 AromaticContact CG-CG 3.82Å
910	P	95.5	Very high	88.2	Confident	94 Å²	94	37.9 Å²	37.9	61%	0.61	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-40	-177.7	18.5	-32.3	0	0	0	113.6	V912 K989	P910-V912 VanDerWaalsContact C-N 3.28Å; P910-V912 PolarHBondContact O-N 3.43Å; P910-K989 WeakPolarHBondContact O-CD 3.42Å; P910-K989 VanDerWaalsContact O-CE 3.23Å; P910-K989 WeakPolarHBondContact O-CE 3.35Å
911	N	96.6	Very high	89.1	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.053	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	22.7	179.8	-46.5	93.4	0	0	0	113.6	H909 E957 Q960 A961 V988 K989 L990	H909-N911 VanDerWaalsContact C-N 3.28Å; H909-N911 PolarHBondContact CE1-OD1 2.98Å; H909-N911 VanDerWaalsContact CE1-OD1 3.22Å; H909-N911 PolarHBondContact ND1-N 3.47Å; H909-N911 PolarHBondContact O-N 3.02Å; N911-E957 WeakPolarHBondContact CB-O 3.43Å; N911-E957 WeakPolarHBondContact ND2-CB 3.31Å; N911-E957 PolarHBondContact ND2-OE2 3.17Å; N911-Q960 PolarHBondContact OD1-OE1 3.15Å; N911-A961 HydrophobicContact CB-CB 4.05Å; N911-V988 PolarHBondContact ND2-O 2.7Å; N911-K989 WeakPolarHBondContact O-CA 3.38Å; N911-L990 PolarHBondContact O-N 2.82Å
912	V	93.7	Very high	89.5	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.042	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-127	135	173.9	167.7	0	0	0	0	108	H909 P910 N914 A961 F993	H909-V912 HydrophobicContact CB-CB 4.05Å; H909-V912 HydrophobicContact CB-CG2 3.93Å; H909-V912 PolarHBondContact O-N 2.91Å; H909-V912 VanDerWaalsContact O-N 3.07Å; H909-V912 VanDerWaalsContact O-O 3.12Å; P910-V912 VanDerWaalsContact C-N 3.28Å; P910-V912 PolarHBondContact O-N 3.43Å; V912-N914 PolarHBondContact O-N 2.93Å; V912-N914 VanDerWaalsContact O-N 3.1Å; V912-A961 HydrophobicContact CG2-CB 4.12Å; V912-F993 HydrophobicContact CB-CZ 4.33Å; V912-F993 HydrophobicContact CG1-CE1 4.41Å; V912-F993 HydrophobicContact CG1-CE2 3.65Å; V912-F993 HydrophobicContact CG1-CZ 3.42Å; V912-F993 VanDerWaalsContact CG1-CZ 3.42Å; V912-F993 HydrophobicContact CG2-CZ 4.04Å
913	V	93.5	Very high	89.8	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.22	C	C	.	.			trans	-58.9	117.3	-179.4	174.4	0	0	0	0	110.4	Y915 M929 E930 L932 L981 K989 L990	V913-Y915 PolarHBondContact O-N 2.92Å; V913-M929 HydrophobicContact CG1-CB 3.98Å; V913-M929 HydrophobicContact CG1-SD 4.34Å; V913-E930 HydrophobicContact CG1-CG 4.06Å; V913-L932 HydrophobicContact CG2-CD1 3.86Å; V913-L981 HydrophobicContact CG2-CD1 4.26Å; V913-K989 HydrophobicContact CG2-CB 3.81Å; V913-L990 PolarHBondContact N-O 3.42Å
914	N	92	Very high	90.5	Very high	45 Å²	45	42.6 Å²	42.6	24%	0.241	23%	0.233	C	C	.	.			trans	-71.4	112	-171.2	177.5	48.4	0	0	0	111.8	K908 V912 L916 E930	K908-N914 PolarHBondContact NZ-OD1 2.88Å; V912-N914 PolarHBondContact O-N 2.93Å; V912-N914 VanDerWaalsContact O-N 3.1Å; N914-L916 WeakPolarHBondContact ND2-CD2 3.41Å; N914-L916 PolarHBondContact O-N 2.94Å; N914-E930 HydrophobicContact CB-CG 4.1Å; N914-E930 WeakPolarHBondContact CB-OE1 3.13Å; N914-E930 PolarHBondContact N-OE1 3.41Å; N914-E930 PolarHBondContact O-N 3.19Å
915	Y	92.1	Very high	91.1	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	131	165.8	170.7	-83.1	0	0	0	111.2	I901 M904 K905 K908 V913 D917 S918 V927	I901-Y915 HydrophobicContact CG2-CE2 4.01Å; M904-Y915 HydrophobicContact CB-CD2 4.35Å; M904-Y915 HydrophobicContact CB-CG 4.46Å; M904-Y915 WeakPolarHBondContact O-CB 3.33Å; K905-Y915 HydrophobicContact CB-CD1 4.07Å; K905-Y915 HydrophobicContact CB-CE1 3.88Å; K905-Y915 HydrophobicContact CD-CE1 4.02Å; K905-Y915 HydrophobicContact CG-CD1 4.13Å; K905-Y915 HydrophobicContact CG-CE1 3.61Å; K908-Y915 PolarHBondContact NZ-O 2.87Å; V913-Y915 PolarHBondContact O-N 2.92Å; Y915-D917 WeakPolarHBondContact CE2-O 3.41Å; Y915-S918 PolarHBondContact OH-N 3Å; Y915-S918 PolarHBondContact OH-OG 3.01Å; Y915-V927 HydrophobicContact CD2-CG1 4.1Å; Y915-V927 HydrophobicContact CE2-CG1 4.31Å
916	L	93.1	Very high	91.5	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-50.2	175.1	-57.6	179.9	0	0	0	110.9	V881 N914 V928 M929	V881-L916 HydrophobicContact CB-CD1 4.41Å; V881-L916 HydrophobicContact CG1-CD1 3.57Å; N914-L916 WeakPolarHBondContact ND2-CD2 3.41Å; N914-L916 PolarHBondContact O-N 2.94Å; L916-V928 HydrophobicContact CB-CG1 4.4Å; L916-V928 HydrophobicContact CD1-CG1 4.45Å; L916-V928 PolarHBondContact N-O 3.08Å; L916-M929 WeakPolarHBondContact CD1-O 3.48Å
917	D	93.6	Very high	92.1	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	170	-167.8	-138.6	-33.8	0	0	0	111.6	S847 K854 Y855 Y915 Y919 V928	S847-D917 VanDerWaalsContact CB-OD1 3.26Å; S847-D917 WeakPolarHBondContact CB-OD1 3.36Å; S847-D917 PolarHBondContact OG-OD1 2.76Å; K854-D917 IonicContact NZ-OD2 3.29Å; K854-D917 PolarHBondContact NZ-OD2 3.03Å; Y855-D917 VanDerWaalsContact OH-CB 3.3Å; Y855-D917 WeakPolarHBondContact OH-CB 3.33Å; Y855-D917 PolarHBondContact OH-OD2 2.97Å; Y855-D917 VanDerWaalsContact OH-OD2 3.07Å; Y915-D917 WeakPolarHBondContact CE2-O 3.41Å; D917-Y919 HydrophobicContact CB-CE2 3.97Å; D917-Y919 PolarHBondContact OD2-OH 2.97Å; D917-V928 HydrophobicContact CB-CB 4Å; D917-V928 HydrophobicContact CB-CG2 4.32Å; D917-V928 PolarHBondContact N-O 3.31Å; D917-V928 VanDerWaalsContact N-O 3.12Å; D917-V928 PolarHBondContact O-N 3.23Å
918	S	94.2	Very high	92.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	150.9	169.6	54.7	0	0	0	0	111.6	V846 S847 Y915 W926	V846-S918 WeakPolarHBondContact CB-O 3.37Å; S847-S918 WeakPolarHBondContact CB-O 3.47Å; S847-S918 PolarHBondContact N-O 3.23Å; Y915-S918 PolarHBondContact OH-N 3Å; Y915-S918 PolarHBondContact OH-OG 3.01Å; S918-W926 CarbonylContact C-O 3.44Å; S918-W926 WeakPolarHBondContact CA-O 3.39Å; S918-W926 VanDerWaalsContact CB-O 3.24Å; S918-W926 WeakPolarHBondContact CB-O 3.34Å
919	Y	95.3	Very high	93.2	Very high	15 Å²	15	26.8 Å²	26.8	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.6	-174.4	-60.4	-94.8	0	0	0	111.2	S847 P851 K854 Y855 D917 L925 W926 V928	S847-Y919 WeakPolarHBondContact O-CD1 3.48Å; P851-Y919 HydrophobicContact CB-CD1 4.47Å; P851-Y919 HydrophobicContact CB-CD2 3.7Å; P851-Y919 HydrophobicContact CB-CE2 4.13Å; P851-Y919 HydrophobicContact CB-CG 3.89Å; P851-Y919 HydrophobicContact CG-CD2 4.35Å; P851-Y919 HydrophobicContact CG-CG 4.16Å; K854-Y919 WeakPolarHBondContact CD-OH 3.4Å; Y855-Y919 AromaticContact CE2-CE2 3.69Å; Y855-Y919 HydrophobicContact CE2-CE2 3.69Å; D917-Y919 HydrophobicContact CB-CE2 3.97Å; D917-Y919 PolarHBondContact OD2-OH 2.97Å; Y919-L925 WeakPolarHBondContact O-CA 3.49Å; Y919-L925 WeakPolarHBondContact O-CD1 3.45Å; Y919-W926 PolarHBondContact N-O 2.77Å; Y919-W926 PolarHBondContact O-N 3.34Å; Y919-V928 HydrophobicContact CE2-CG2 4.43Å
920	L	94	Very high	93.2	Very high	28 Å²	28	25.7 Å²	25.7	15%	0.147	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.4	172.8	-179.7	61	0	0	0	110.1	L842 R843 V846 L888 G922 L925	L842-L920 HydrophobicContact CB-CD2 4.02Å; R843-L920 HydrophobicContact CG-CD2 4.02Å; V846-L920 HydrophobicContact CG1-CB 4.44Å; V846-L920 HydrophobicContact CG2-CB 3.93Å; L888-L920 HydrophobicContact CD1-CD1 3.59Å; L920-G922 WeakPolarHBondContact CD1-O 3.48Å; L920-L925 HydrophobicContact CD1-CB 4.31Å
921	V	91.9	Very high	93.2	Very high	62 Å²	62	22.8 Å²	22.8	38%	0.376	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100.8	178.8	-177.3	0	0	0	0	108.6	P851 D923 E924	P851-V921 HydrophobicContact CG-CG2 4.48Å; V921-D923 PolarHBondContact O-N 3.25Å; V921-E924 PolarHBondContact N-O 3.31Å; V921-E924 PolarHBondContact O-N 3.05Å
922	G	89.6	Confident	93.2	Very high	57 Å²	57	23.2 Å²	23.2	59%	0.588	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	-120.2	-171	0	0	0	0	0	111.1	L920	L920-G922 WeakPolarHBondContact CD1-O 3.48Å
923	D	88.8	Confident	93.2	Very high	42 Å²	42	25.3 Å²	25.3	23%	0.225	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.1	173.8	-55.6	-81.1	0	0	0	113.6	L888 K889 V921	L888-D923 WeakPolarHBondContact CB-O 3.47Å; L888-D923 WeakPolarHBondContact CG-O 3.18Å; L888-D923 PolarHBondContact N-O 3.22Å; K889-D923 HydrophobicContact CD-CB 4.17Å; K889-D923 WeakPolarHBondContact CD-OD1 3.46Å; K889-D923 WeakPolarHBondContact CE-OD1 3.43Å; K889-D923 VanDerWaalsContact CE-OD2 3.28Å; K889-D923 WeakPolarHBondContact CE-OD2 3.28Å; K889-D923 HydrophobicContact CG-CB 4.24Å; K889-D923 VanDerWaalsContact NZ-CG 3.3Å; K889-D923 IonicContact NZ-OD1 2.67Å; K889-D923 PolarHBondContact NZ-OD1 3.25Å; K889-D923 IonicContact NZ-OD2 3.98Å; K889-D923 PolarHBondContact NZ-OD2 2.8Å; V921-D923 PolarHBondContact O-N 3.25Å
924	E	91.2	Very high	93.3	Very high	66 Å²	66	25.2 Å²	25.2	31%	0.308	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.2	-178.6	-62.1	-148.8	138.4	0	0	112.1	Q885 V921	Q885-E924 PolarHBondContact NE2-OE1 3.36Å; Q885-E924 PolarHBondContact NE2-OE2 2.93Å; V921-E924 PolarHBondContact N-O 3.31Å; V921-E924 PolarHBondContact O-N 3.05Å
925	L	91.8	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.3	175.7	177	58	0	0	0	109.2	L842 V846 M886 L888 I897 I901 Y919 L920	L842-L925 HydrophobicContact CD1-CD2 4.11Å; L842-L925 HydrophobicContact CD2-CD2 3.95Å; V846-L925 HydrophobicContact CG1-CD1 3.81Å; M886-L925 HydrophobicContact CE-CD2 4.03Å; M886-L925 HydrophobicContact CE-CG 4.16Å; M886-L925 PolarHBondContact N-O 3.08Å; M886-L925 PolarHBondContact O-N 3.4Å; L888-L925 HydrophobicContact CD1-CB 4.43Å; L888-L925 HydrophobicContact CD2-CB 4.08Å; L888-L925 HydrophobicContact CD2-CD2 3.84Å; L888-L925 HydrophobicContact CG-CB 4.11Å; I897-L925 HydrophobicContact CG2-CD2 3.5Å; I897-L925 VanDerWaalsContact CG2-CD2 3.5Å; I901-L925 HydrophobicContact CD1-CD1 3.8Å; I901-L925 HydrophobicContact CD1-CD2 3.77Å; I901-L925 HydrophobicContact CD1-CG 4.09Å; Y919-L925 WeakPolarHBondContact O-CA 3.49Å; Y919-L925 WeakPolarHBondContact O-CD1 3.45Å; L920-L925 HydrophobicContact CD1-CB 4.31Å
926	W	93.7	Very high	93.5	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.4	174.3	-67.5	44.1	0	0	0	108.6	P851 N852 I883 K884 S918 Y919	P851-W926 HydrophobicContact CB-CD2 4.05Å; P851-W926 HydrophobicContact CB-CE3 3.56Å; P851-W926 HydrophobicContact CB-CH2 4.44Å; P851-W926 HydrophobicContact CB-CZ3 3.79Å; P851-W926 HydrophobicContact CG-CB 4.43Å; P851-W926 HydrophobicContact CG-CD2 3.4Å; P851-W926 HydrophobicContact CG-CE3 3.42Å; P851-W926 VanDerWaalsContact CG-CE3 3.42Å; P851-W926 HydrophobicContact CG-CG 3.89Å; P851-W926 HydrophobicContact CG-CH2 3.97Å; P851-W926 HydrophobicContact CG-CZ2 3.95Å; P851-W926 HydrophobicContact CG-CZ3 3.73Å; N852-W926 WeakPolarHBondContact OD1-CH2 3.38Å; I883-W926 HydrophobicContact CG2-CD2 4.17Å; I883-W926 HydrophobicContact CG2-CE3 3.39Å; I883-W926 HydrophobicContact CG2-CZ3 3.91Å; K884-W926 WeakPolarHBondContact O-CA 3.22Å; S918-W926 CarbonylContact C-O 3.44Å; S918-W926 WeakPolarHBondContact CA-O 3.39Å; S918-W926 VanDerWaalsContact CB-O 3.24Å; S918-W926 WeakPolarHBondContact CB-O 3.34Å; Y919-W926 PolarHBondContact N-O 2.77Å; Y919-W926 PolarHBondContact O-N 3.34Å
927	V	92.5	Very high	93.7	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.4	169.2	179.4	0	0	0	0	108.3	K884 M886 I901 Y915 M929	K884-V927 HydrophobicContact CB-CB 4.44Å; K884-V927 PolarHBondContact N-O 2.9Å; K884-V927 PolarHBondContact O-N 3.45Å; M886-V927 HydrophobicContact CE-CG2 3.68Å; I901-V927 HydrophobicContact CD1-CG2 3.6Å; I901-V927 HydrophobicContact CG1-CG2 3.87Å; Y915-V927 HydrophobicContact CD2-CG1 4.1Å; Y915-V927 HydrophobicContact CE2-CG1 4.31Å; V927-M929 HydrophobicContact CG1-CG 4.11Å; V927-M929 HydrophobicContact CG1-SD 4.4Å
928	V	94.9	Very high	93.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.6	-177	-170.7	0	0	0	0	109.2	Y855 V881 A882 I883 L916 D917 Y919	Y855-V928 HydrophobicContact CD1-CG1 4.27Å; Y855-V928 HydrophobicContact CD2-CG2 4.35Å; Y855-V928 HydrophobicContact CE1-CG1 3.75Å; Y855-V928 HydrophobicContact CE2-CG1 4.45Å; Y855-V928 HydrophobicContact CE2-CG2 3.97Å; V881-V928 HydrophobicContact CB-CG1 3.88Å; V881-V928 HydrophobicContact CG1-CG1 4.2Å; V881-V928 HydrophobicContact CG2-CG1 4.1Å; A882-V928 WeakPolarHBondContact O-CA 3.41Å; I883-V928 HydrophobicContact CG1-CG1 4.48Å; L916-V928 HydrophobicContact CB-CG1 4.4Å; L916-V928 HydrophobicContact CD1-CG1 4.45Å; L916-V928 PolarHBondContact N-O 3.08Å; D917-V928 HydrophobicContact CB-CB 4Å; D917-V928 HydrophobicContact CB-CG2 4.32Å; D917-V928 PolarHBondContact N-O 3.31Å; D917-V928 VanDerWaalsContact N-O 3.12Å; D917-V928 PolarHBondContact O-N 3.23Å; Y919-V928 HydrophobicContact CE2-CG2 4.43Å
929	M	94.6	Very high	93.7	Very high	9 Å²	9	24 Å²	24	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.7	-171.7	-59.6	172.9	-66.4	0	0	109.5	V881 A882 K884 M904 V913 L916 V927	V881-M929 WeakPolarHBondContact CA-O 3.21Å; V881-M929 WeakPolarHBondContact CB-O 3.49Å; A882-M929 HydrophobicContact CB-CB 4.39Å; A882-M929 HydrophobicContact CB-CE 4.31Å; A882-M929 PolarHBondContact N-O 3.23Å; A882-M929 PolarHBondContact O-N 3.18Å; K884-M929 HydrophobicContact CB-CE 3.89Å; K884-M929 HydrophobicContact CD-CE 4.43Å; M904-M929 HydrophobicContact CE-CG 4.34Å; M904-M929 HydrophobicContact CE-SD 3.79Å; V913-M929 HydrophobicContact CG1-CB 3.98Å; V913-M929 HydrophobicContact CG1-SD 4.34Å; L916-M929 WeakPolarHBondContact CD1-O 3.48Å; V927-M929 HydrophobicContact CG1-CG 4.11Å; V927-M929 HydrophobicContact CG1-SD 4.4Å
930	E	95	Very high	93.7	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	143.1	165.2	67.3	-174.3	151.9	0	0	111.3	R879 V913 N914 K989	R879-E930 IonicContact NH2-OE2 3.27Å; V913-E930 HydrophobicContact CG1-CG 4.06Å; N914-E930 HydrophobicContact CB-CG 4.1Å; N914-E930 WeakPolarHBondContact CB-OE1 3.13Å; N914-E930 PolarHBondContact N-OE1 3.41Å; N914-E930 PolarHBondContact O-N 3.19Å; E930-K989 VanDerWaalsContact OE1-CD 3.29Å; E930-K989 WeakPolarHBondContact OE1-CD 3.27Å; E930-K989 IonicContact OE1-NZ 3.88Å; E930-K989 PolarHBondContact OE1-NZ 2.9Å; E930-K989 IonicContact OE2-NZ 2.77Å; E930-K989 PolarHBondContact OE2-NZ 2.88Å
931	Y	96.1	Very high	93.8	Very high	33 Å²	33	22.2 Å²	22.2	13%	0.129	13%	0.131	C	C	.	.			trans	-84.1	150.9	166.7	-172.4	-106.8	0	0	0	109.6	I861 R880 A882 D933	I861-Y931 HydrophobicContact CD1-CD2 4.05Å; I861-Y931 HydrophobicContact CD1-CE2 3.65Å; I861-Y931 HydrophobicContact CG2-CE2 4.38Å; R880-Y931 HydrophobicContact CB-CD1 4.3Å; R880-Y931 HydrophobicContact CB-CG 4.46Å; A882-Y931 HydrophobicContact CB-CD2 4.37Å; Y931-D933 HydrophobicContact CD1-CB 4.39Å; Y931-D933 VanDerWaalsContact CD1-CG 3.49Å; Y931-D933 WeakPolarHBondContact CD1-OD1 3.45Å; Y931-D933 WeakPolarHBondContact CD1-OD2 3.45Å; Y931-D933 HydrophobicContact CE1-CB 4.06Å; Y931-D933 VanDerWaalsContact CE1-CG 3.48Å; Y931-D933 WeakPolarHBondContact CE1-OD1 3.45Å
932	L	96	Very high	93.8	Very high	18 Å²	18	19.6 Å²	19.6	9%	0.094	12%	0.115	C	C	.	.			trans	-128.5	103.6	177.9	-75.3	167.9	0	0	0	108.7	V913 G934 L981 K989	V913-L932 HydrophobicContact CG2-CD1 3.86Å; L932-G934 PolarHBondContact O-N 3.43Å; L932-G934 VanDerWaalsContact O-N 3.09Å; L932-L981 HydrophobicContact CB-CB 4.35Å; L932-L981 HydrophobicContact CD1-CB 3.44Å; L932-L981 VanDerWaalsContact CD1-CB 3.44Å; L932-L981 HydrophobicContact CD1-CD1 4.25Å; L932-L981 HydrophobicContact CD1-CG 4.5Å; L932-K989 HydrophobicContact CD1-CB 4.05Å; L932-K989 HydrophobicContact CD1-CD 4.14Å; L932-K989 HydrophobicContact CD1-CG 4.36Å; L932-K989 HydrophobicContact CD2-CD 4.28Å
933	D	93.8	Very high	93.8	Very high	52 Å²	52	17.1 Å²	17.1	28%	0.278	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-1.2	-170.5	-59.2	-100.8	0	0	0	114.8	R880 Y931 L984 R1124	R880-D933 WeakPolarHBondContact CD-OD1 3.36Å; R880-D933 IonicContact CZ-OD1 2.67Å; R880-D933 IonicContact NE-OD1 3.32Å; R880-D933 IonicContact NH1-OD1 2.81Å; R880-D933 PolarHBondContact NH1-OD1 3.14Å; Y931-D933 HydrophobicContact CD1-CB 4.39Å; Y931-D933 VanDerWaalsContact CD1-CG 3.49Å; Y931-D933 WeakPolarHBondContact CD1-OD1 3.45Å; Y931-D933 WeakPolarHBondContact CD1-OD2 3.45Å; Y931-D933 HydrophobicContact CE1-CB 4.06Å; Y931-D933 VanDerWaalsContact CE1-CG 3.48Å; Y931-D933 WeakPolarHBondContact CE1-OD1 3.45Å; D933-L984 HydrophobicContact CB-CD1 3.67Å; D933-L984 HydrophobicContact CB-CG 3.9Å; D933-R1124 VanDerWaalsContact O-CZ 3.27Å; D933-R1124 PolarHBondContact O-NH2 2.86Å; D933-R1124 VanDerWaalsContact O-NH2 3.15Å
934	G	95	Very high	94.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-25.6	178.1	0	0	0	0	0	115.2	L932 L982 R1124	L932-G934 PolarHBondContact O-N 3.43Å; L932-G934 VanDerWaalsContact O-N 3.09Å; G934-L982 CarbonylContact C-O 3.31Å; G934-L982 WeakPolarHBondContact CA-O 3.33Å; G934-L982 PolarHBondContact N-O 3.15Å; G934-R1124 WeakPolarHBondContact O-CG 3.38Å; G934-R1124 PolarHBondContact O-NE 2.82Å
935	G	93.9	Very high	94.2	Very high	6 Å²	6	15.7 Å²	15.7	6%	0.062	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-161.5	176.5	0	0	0	0	0	113.4	E939 L981 L982 R1124	G935-E939 WeakPolarHBondContact CA-OE1 3.35Å; G935-L981 CarbonylContact O-C 3.59Å; G935-L981 WeakPolarHBondContact O-CA 3.49Å; G935-L982 PolarHBondContact N-O 3.31Å; G935-L982 PolarHBondContact O-N 2.87Å; G935-R1124 VanDerWaalsContact CA-NH2 3.26Å
936	S	95	Very high	94.5	Very high	17 Å²	17	16.6 Å²	16.6	12%	0.119	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	163.2	169.2	78.5	0	0	0	0	112.2	T938 E939 I980	S936-T938 PolarHBondContact O-N 3.46Å; S936-T938 VanDerWaalsContact OG-CB 3.22Å; S936-T938 WeakPolarHBondContact OG-CB 3.33Å; S936-T938 PolarHBondContact OG-N 2.89Å; S936-T938 VanDerWaalsContact OG-N 3.15Å; S936-T938 PolarHBondContact OG-OG1 3.34Å; S936-E939 PolarHBondContact N-OE1 3.06Å; S936-E939 PolarHBondContact O-N 2.91Å; S936-E939 PolarHBondContact OG-N 2.95Å; S936-I980 CarbonylContact C-O 3.56Å; S936-I980 WeakPolarHBondContact CA-O 3.36Å
937	L	97.3	Very high	94.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-26.8	168.2	-177.9	63.9	0	0	0	111.5	E939 V940 V941 M946 V954 S977 I980 L982 M1038 M1042	L937-E939 VanDerWaalsContact C-N 3.34Å; L937-E939 PolarHBondContact O-N 2.93Å; L937-V940 PolarHBondContact O-N 3.06Å; L937-V940 VanDerWaalsContact O-N 3.09Å; L937-V941 HydrophobicContact CD1-CG1 4.09Å; L937-V941 HydrophobicContact CG-CG1 4.08Å; L937-V941 PolarHBondContact O-N 3.29Å; L937-M946 HydrophobicContact CD1-SD 4.21Å; L937-V954 HydrophobicContact CD1-CG1 4.41Å; L937-V954 HydrophobicContact CD2-CG1 3.86Å; L937-S977 PolarHBondContact N-O 3.02Å; L937-I980 HydrophobicContact CB-CB 3.93Å; L937-I980 HydrophobicContact CB-CG2 4.1Å; L937-I980 HydrophobicContact CD2-CB 4.25Å; L937-I980 HydrophobicContact CD2-CG1 4.43Å; L937-I980 HydrophobicContact CD2-CG2 4.29Å; L937-I980 PolarHBondContact N-O 2.88Å; L937-L982 HydrophobicContact CD1-CD1 4.32Å; L937-M1038 HydrophobicContact CD2-CE 3.93Å; L937-M1038 HydrophobicContact CD2-CG 4.29Å; L937-M1038 HydrophobicContact CD2-SD 4.09Å; L937-M1042 HydrophobicContact CD1-SD 4.39Å; L937-M1042 HydrophobicContact CD2-CG 4.31Å; L937-M1042 HydrophobicContact CD2-SD 4.07Å
938	T	94.5	Very high	94.8	Very high	13 Å²	13	20.9 Å²	20.9	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-47.3	176.4	-25.8	0	0	0	0	111.1	Y594 S936 V940 V941 T942 S977 D978	Y594-T938 HydrophobicContact CD2-CG2 4.02Å; Y594-T938 HydrophobicContact CE2-CG2 4.42Å; S936-T938 PolarHBondContact O-N 3.46Å; S936-T938 VanDerWaalsContact OG-CB 3.22Å; S936-T938 WeakPolarHBondContact OG-CB 3.33Å; S936-T938 PolarHBondContact OG-N 2.89Å; S936-T938 VanDerWaalsContact OG-N 3.15Å; S936-T938 PolarHBondContact OG-OG1 3.34Å; T938-V940 PolarHBondContact O-N 2.77Å; T938-V941 PolarHBondContact O-N 2.84Å; T938-T942 HydrophobicContact CG2-CG2 4.4Å; T938-T942 WeakPolarHBondContact O-CG2 3.35Å; T938-T942 PolarHBondContact O-N 2.85Å; T938-T942 VanDerWaalsContact O-N 3.15Å; T938-T942 PolarHBondContact O-OG1 2.95Å; T938-S977 PolarHBondContact OG1-OG 3.38Å; T938-D978 WeakPolarHBondContact CG2-OD1 3.02Å; T938-D978 WeakPolarHBondContact OG1-CA 3.44Å; T938-D978 PolarHBondContact OG1-N 3.2Å; T938-D978 VanDerWaalsContact OG1-N 3.11Å; T938-D978 PolarHBondContact OG1-OD1 2.79Å
939	E	92.8	Very high	95	Very high	56 Å²	56	21.2 Å²	21.2	26%	0.262	11%	0.111	S	C	.	.	H	α-helix	trans	-55.3	-36.5	177.4	-65.7	168.5	-124.7	0	0	111.8	G935 S936 L937 E943 A1123 R1124	G935-E939 WeakPolarHBondContact CA-OE1 3.35Å; S936-E939 PolarHBondContact N-OE1 3.06Å; S936-E939 PolarHBondContact O-N 2.91Å; S936-E939 PolarHBondContact OG-N 2.95Å; L937-E939 VanDerWaalsContact C-N 3.34Å; L937-E939 PolarHBondContact O-N 2.93Å; E939-E943 WeakPolarHBondContact O-CB 3.22Å; E939-A1123 HydrophobicContact CB-CB 4.41Å; E939-A1123 WeakPolarHBondContact O-CB 3.5Å; E939-R1124 VanDerWaalsContact OE2-CD 3.28Å; E939-R1124 WeakPolarHBondContact OE2-CD 3.42Å; E939-R1124 IonicContact OE2-NE 3.6Å; E939-R1124 PolarHBondContact OE2-NE 3.19Å
940	V	96	Very high	95.1	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-78.7	-43.3	-177.6	178.5	0	0	0	0	112.1	L937 T938 T944 M946 L982 L1119 I1120 A1123	L937-V940 PolarHBondContact O-N 3.06Å; L937-V940 VanDerWaalsContact O-N 3.09Å; T938-V940 PolarHBondContact O-N 2.77Å; V940-T944 WeakPolarHBondContact CG1-OG1 3.28Å; V940-T944 WeakPolarHBondContact O-CA 3.42Å; V940-T944 WeakPolarHBondContact O-CB 3.31Å; V940-T944 PolarHBondContact O-N 3.11Å; V940-T944 PolarHBondContact O-OG1 3.36Å; V940-M946 HydrophobicContact CG1-CG 4.45Å; V940-M946 HydrophobicContact CG1-SD 4.29Å; V940-L982 HydrophobicContact CB-CD1 4.46Å; V940-L982 HydrophobicContact CG2-CD1 3.62Å; V940-L1119 HydrophobicContact CG1-CB 3.91Å; V940-L1119 HydrophobicContact CG1-CD1 4.24Å; V940-I1120 HydrophobicContact CG2-CG1 4.02Å; V940-A1123 HydrophobicContact CG2-CB 4.12Å
941	V	95.2	Very high	95.3	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-78.5	-23.4	-174.9	-58.8	0	0	0	0	114.2	L937 T938 M946 E1041 M1042	L937-V941 HydrophobicContact CD1-CG1 4.09Å; L937-V941 HydrophobicContact CG-CG1 4.08Å; L937-V941 PolarHBondContact O-N 3.29Å; T938-V941 PolarHBondContact O-N 2.84Å; V941-M946 HydrophobicContact CG1-SD 3.93Å; V941-E1041 HydrophobicContact CG2-CG 4.23Å; V941-M1042 HydrophobicContact CG1-CB 4.29Å; V941-M1042 HydrophobicContact CG1-CG 3.67Å
942	T	91.9	Very high	95.4	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-79.7	-29.5	175.2	56.4	0	0	0	0	112.6	Y594 T938	Y594-T942 HydrophobicContact CD2-CG2 4.09Å; T938-T942 HydrophobicContact CG2-CG2 4.4Å; T938-T942 WeakPolarHBondContact O-CG2 3.35Å; T938-T942 PolarHBondContact O-N 2.85Å; T938-T942 VanDerWaalsContact O-N 3.15Å; T938-T942 PolarHBondContact O-OG1 2.95Å
943	E	90.7	Very high	95.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-103.7	-28.9	-172.8	-70.1	-65.7	155.9	0	0	114	T585 R586 K591 E939 A1123 Q1126 Q1130	T585-E943 CarbonylContact C-O 3.5Å; T585-E943 VanDerWaalsContact CA-O 3.3Å; T585-E943 WeakPolarHBondContact CA-O 3.4Å; R586-E943 PolarHBondContact N-O 2.73Å; K591-E943 WeakPolarHBondContact CE-OE1 3.39Å; K591-E943 WeakPolarHBondContact CE-OE2 3.22Å; K591-E943 IonicContact NZ-OE1 2.84Å; K591-E943 PolarHBondContact NZ-OE1 3.15Å; K591-E943 IonicContact NZ-OE2 2.6Å; K591-E943 PolarHBondContact NZ-OE2 2.87Å; E939-E943 WeakPolarHBondContact O-CB 3.22Å; E943-A1123 HydrophobicContact CB-CB 4.44Å; E943-Q1126 HydrophobicContact CG-CB 4.38Å; E943-Q1126 VanDerWaalsContact OE2-CD 3.25Å; E943-Q1126 PolarHBondContact OE2-NE2 3.43Å; E943-Q1126 PolarHBondContact OE2-OE1 3.49Å; E943-Q1130 PolarHBondContact OE1-NE2 2.74Å
944	T	94	Very high	95.8	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-126.3	157.4	-175.8	74.7	0	0	0	0	112.6	I583 V940 L1119 V1122	I583-T944 HydrophobicContact CG2-CG2 4.39Å; V940-T944 WeakPolarHBondContact CG1-OG1 3.28Å; V940-T944 WeakPolarHBondContact O-CA 3.42Å; V940-T944 WeakPolarHBondContact O-CB 3.31Å; V940-T944 PolarHBondContact O-N 3.11Å; V940-T944 PolarHBondContact O-OG1 3.36Å; T944-L1119 HydrophobicContact CG2-CB 4.35Å; T944-V1122 HydrophobicContact CG2-CB 4.24Å; T944-V1122 HydrophobicContact CG2-CG1 3.88Å
945	L	94.1	Very high	96	Very high	75 Å²	75	15.9 Å²	15.9	39%	0.393	9%	0.086	S	C	.	.	P	Polyproline II helix	trans	-97.8	125.3	170.1	-62.5	178.1	0	0	0	110.1	A584 R586	A584-L945 HydrophobicContact CB-CB 4.24Å; A584-L945 HydrophobicContact CB-CD1 4.13Å; A584-L945 PolarHBondContact O-N 3.14Å; R586-L945 HydrophobicContact CG-CD2 3.61Å; R586-L945 HydrophobicContact CG-CG 4.17Å
946	M	96.6	Very high	96.2	Very high	20 Å²	20	18.2 Å²	18.2	10%	0.099	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-92.2	139.3	177.1	-64.2	179.8	63.6	0	0	111.1	L937 V940 V941 Q950 I951 V954 M1042 L1116 L1119	L937-M946 HydrophobicContact CD1-SD 4.21Å; V940-M946 HydrophobicContact CG1-CG 4.45Å; V940-M946 HydrophobicContact CG1-SD 4.29Å; V941-M946 HydrophobicContact CG1-SD 3.93Å; M946-Q950 HydrophobicContact CB-CB 4.44Å; M946-Q950 HydrophobicContact CE-CB 3.99Å; M946-I951 HydrophobicContact CB-CD1 4.21Å; M946-I951 HydrophobicContact CB-CG1 3.73Å; M946-I951 HydrophobicContact CE-CG1 4.23Å; M946-V954 HydrophobicContact CE-CG2 3.85Å; M946-M1042 HydrophobicContact CE-CG 4.41Å; M946-M1042 HydrophobicContact CE-SD 3.75Å; M946-M1042 HydrophobicContact SD-CB 4.19Å; M946-M1042 HydrophobicContact SD-CG 3.8Å; M946-M1042 HydrophobicContact SD-SD 3.93Å; M946-L1116 HydrophobicContact CE-CD2 3.94Å; M946-L1119 HydrophobicContact CG-CD1 3.75Å
947	D	95.9	Very high	96.4	Very high	61 Å²	61	18.3 Å²	18.3	33%	0.326	9%	0.091	S	C	.	.	P	Polyproline II helix	trans	-85.4	157.3	170.4	76.6	72.5	0	0	0	112.4	G949 Q950 I951 K1111	D947-G949 PolarHBondContact O-N 3.15Å; D947-G949 WeakPolarHBondContact OD1-CA 3.45Å; D947-G949 PolarHBondContact OD1-N 3.27Å; D947-Q950 WeakPolarHBondContact O-CA 3.21Å; D947-Q950 WeakPolarHBondContact O-CB 3.35Å; D947-Q950 PolarHBondContact O-N 3.41Å; D947-Q950 PolarHBondContact OD1-N 3.02Å; D947-Q950 PolarHBondContact OD2-OE1 3.5Å; D947-I951 WeakPolarHBondContact O-CG1 3.22Å; D947-I951 PolarHBondContact O-N 3.5Å; D947-K1111 VanDerWaalsContact OD1-CE 3.32Å; D947-K1111 WeakPolarHBondContact OD1-CE 3.27Å; D947-K1111 IonicContact OD1-NZ 2.66Å; D947-K1111 PolarHBondContact OD1-NZ 2.77Å; D947-K1111 IonicContact OD2-NZ 2.68Å; D947-K1111 PolarHBondContact OD2-NZ 2.87Å
948	E	97.6	Very high	96.4	Very high	37 Å²	37	18.6 Å²	18.6	17%	0.173	9%	0.093	C	C	.	.	H	α-helix	trans	-48.6	-33.7	-178.2	-71.8	-164.6	154.1	0	0	114.6	A952 S1076 F1079 F1105 R1109	E948-A952 WeakPolarHBondContact O-CB 3.27Å; E948-A952 PolarHBondContact O-N 2.69Å; E948-S1076 VanDerWaalsContact OE1-CB 3.23Å; E948-S1076 WeakPolarHBondContact OE1-CB 3.46Å; E948-S1076 PolarHBondContact OE1-N 3.13Å; E948-S1076 PolarHBondContact OE1-OG 3.08Å; E948-S1076 WeakPolarHBondContact OE2-CB 3.19Å; E948-S1076 PolarHBondContact OE2-OG 3.07Å; E948-F1079 HydrophobicContact CG-CD1 3.91Å; E948-F1079 HydrophobicContact CG-CE1 4.48Å; E948-F1105 HydrophobicContact CB-CE2 4.19Å; E948-R1109 IonicContact OE2-CZ 2.62Å; E948-R1109 IonicContact OE2-NH1 3.78Å; E948-R1109 PolarHBondContact OE2-NH1 2.92Å
949	G	98.1	Very high	96.6	Very high	6 Å²	6	18 Å²	18	6%	0.062	9%	0.089	C	C	.	.	H	α-helix	trans	-76.7	-30.7	-179.7	0	0	0	0	0	113.2	D947 A953 R1109 S1110 K1111	D947-G949 PolarHBondContact O-N 3.15Å; D947-G949 WeakPolarHBondContact OD1-CA 3.45Å; D947-G949 PolarHBondContact OD1-N 3.27Å; G949-A953 WeakPolarHBondContact O-CB 3.42Å; G949-A953 PolarHBondContact O-N 2.67Å; G949-R1109 WeakPolarHBondContact CA-O 3.35Å; G949-S1110 WeakPolarHBondContact O-CA 3.43Å; G949-K1111 PolarHBondContact O-N 2.69Å
950	Q	98.3	Very high	96.9	Very high	18 Å²	18	18.1 Å²	18.1	8%	0.084	9%	0.09	C	C	.	.	H	α-helix	trans	-71	-44	169.3	-68.9	166.8	-37.6	0	0	110.5	M946 D947 A953 V954 K1111 S1115 L1116	M946-Q950 HydrophobicContact CB-CB 4.44Å; M946-Q950 HydrophobicContact CE-CB 3.99Å; D947-Q950 WeakPolarHBondContact O-CA 3.21Å; D947-Q950 WeakPolarHBondContact O-CB 3.35Å; D947-Q950 PolarHBondContact O-N 3.41Å; D947-Q950 PolarHBondContact OD1-N 3.02Å; D947-Q950 PolarHBondContact OD2-OE1 3.5Å; Q950-A953 WeakPolarHBondContact O-CB 3.48Å; Q950-A953 PolarHBondContact O-N 3.15Å; Q950-A953 VanDerWaalsContact O-N 3.17Å; Q950-V954 PolarHBondContact O-N 2.87Å; Q950-K1111 HydrophobicContact CG-CD 4.32Å; Q950-S1115 PolarHBondContact NE2-O 2.94Å; Q950-L1116 HydrophobicContact CB-CD2 3.73Å; Q950-L1116 HydrophobicContact CG-CD2 4.05Å
951	I	98.5	Very high	96.9	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-49.9	176.2	-60.6	180	0	0	0	110.6	M946 D947 A953 V954 C955 M1042 I1043 F1079 F1105	M946-I951 HydrophobicContact CB-CD1 4.21Å; M946-I951 HydrophobicContact CB-CG1 3.73Å; M946-I951 HydrophobicContact CE-CG1 4.23Å; D947-I951 WeakPolarHBondContact O-CG1 3.22Å; D947-I951 PolarHBondContact O-N 3.5Å; I951-A953 PolarHBondContact O-N 3.14Å; I951-V954 PolarHBondContact O-N 2.9Å; I951-C955 WeakPolarHBondContact O-CB 3.44Å; I951-C955 PolarHBondContact O-N 2.7Å; I951-C955 PolarHBondContact O-SG 3.44Å; I951-C955 VanDerWaalsContact O-SG 3.41Å; I951-M1042 HydrophobicContact CB-SD 4.49Å; I951-M1042 HydrophobicContact CD1-CB 3.95Å; I951-M1042 HydrophobicContact CG1-CB 3.92Å; I951-M1042 HydrophobicContact CG1-SD 4.42Å; I951-M1042 HydrophobicContact CG2-CB 4.25Å; I951-M1042 HydrophobicContact CG2-CE 3.97Å; I951-M1042 HydrophobicContact CG2-SD 4.13Å; I951-I1043 HydrophobicContact CD1-CG1 4.15Å; I951-F1079 HydrophobicContact CD1-CE1 4.19Å; I951-F1079 HydrophobicContact CD1-CZ 4.27Å; I951-F1079 HydrophobicContact CG2-CE1 4.47Å; I951-F1079 HydrophobicContact CG2-CE2 4.15Å; I951-F1079 HydrophobicContact CG2-CZ 3.73Å; I951-F1105 HydrophobicContact CB-CZ 4.43Å; I951-F1105 HydrophobicContact CG2-CZ 4.17Å
952	A	98.7	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-32.6	176.5	0	0	0	0	0	112.2	E948 R956 F1105 R1109 S1110	E948-A952 WeakPolarHBondContact O-CB 3.27Å; E948-A952 PolarHBondContact O-N 2.69Å; A952-R956 WeakPolarHBondContact O-CB 3.47Å; A952-R956 PolarHBondContact O-N 2.77Å; A952-F1105 HydrophobicContact CB-CD1 3.96Å; A952-F1105 HydrophobicContact CB-CD2 4.23Å; A952-F1105 HydrophobicContact CB-CE1 3.61Å; A952-F1105 HydrophobicContact CB-CE2 3.88Å; A952-F1105 HydrophobicContact CB-CG 4.26Å; A952-F1105 HydrophobicContact CB-CZ 3.56Å; A952-R1109 HydrophobicContact CB-CB 3.94Å; A952-S1110 VanDerWaalsContact CB-OG 3.31Å; A952-S1110 WeakPolarHBondContact CB-OG 3.37Å; A952-S1110 PolarHBondContact O-OG 3.39Å
953	A	98.6	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-48.6	174.5	0	0	0	0	0	111.7	G949 Q950 I951 R956 E957 K1111 L1113	G949-A953 WeakPolarHBondContact O-CB 3.42Å; G949-A953 PolarHBondContact O-N 2.67Å; Q950-A953 WeakPolarHBondContact O-CB 3.48Å; Q950-A953 PolarHBondContact O-N 3.15Å; Q950-A953 VanDerWaalsContact O-N 3.17Å; I951-A953 PolarHBondContact O-N 3.14Å; A953-R956 WeakPolarHBondContact O-CB 3.43Å; A953-R956 PolarHBondContact O-N 3.31Å; A953-E957 WeakPolarHBondContact O-CG 3.26Å; A953-E957 PolarHBondContact O-N 3.19Å; A953-K1111 WeakPolarHBondContact CB-O 3.36Å; A953-L1113 HydrophobicContact CB-CD2 4.12Å
954	V	98.7	Very high	97.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-46.5	175.8	173.7	0	0	0	0	111.3	L937 M946 Q950 I951 R956 E957 C958 V988 M1038 M1042 L1116	L937-V954 HydrophobicContact CD1-CG1 4.41Å; L937-V954 HydrophobicContact CD2-CG1 3.86Å; M946-V954 HydrophobicContact CE-CG2 3.85Å; Q950-V954 PolarHBondContact O-N 2.87Å; I951-V954 PolarHBondContact O-N 2.9Å; V954-R956 VanDerWaalsContact C-N 3.28Å; V954-R956 PolarHBondContact O-N 3.41Å; V954-E957 PolarHBondContact O-N 3.02Å; V954-C958 PolarHBondContact O-N 3.42Å; V954-C958 VanDerWaalsContact O-N 3.08Å; V954-C958 PolarHBondContact O-SG 3.12Å; V954-V988 HydrophobicContact CG1-CG1 4.25Å; V954-V988 HydrophobicContact CG2-CG2 4.25Å; V954-M1038 HydrophobicContact CG1-CE 4.27Å; V954-M1042 HydrophobicContact CB-CE 4.37Å; V954-M1042 HydrophobicContact CB-SD 3.91Å; V954-M1042 HydrophobicContact CG1-CE 4.02Å; V954-M1042 HydrophobicContact CG1-SD 3.8Å; V954-M1042 HydrophobicContact CG2-SD 4.42Å; V954-L1116 HydrophobicContact CG2-CD1 3.71Å; V954-L1116 HydrophobicContact CG2-CD2 4.09Å
955	C	98.8	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.9	-38.2	176.1	-71.3	0	0	0	0	112.5	I951 L959 F1082 I1106	I951-C955 WeakPolarHBondContact O-CB 3.44Å; I951-C955 PolarHBondContact O-N 2.7Å; I951-C955 PolarHBondContact O-SG 3.44Å; I951-C955 VanDerWaalsContact O-SG 3.41Å; C955-L959 VanDerWaalsContact O-CB 3.27Å; C955-L959 WeakPolarHBondContact O-CB 3.46Å; C955-L959 WeakPolarHBondContact O-CD1 3.36Å; C955-L959 WeakPolarHBondContact O-CG 3.36Å; C955-L959 PolarHBondContact O-N 2.88Å; C955-F1082 HydrophobicContact CB-CE1 4.27Å; C955-F1082 HydrophobicContact CB-CZ 3.96Å; C955-I1106 HydrophobicContact CB-CD1 3.69Å
956	R	98.7	Very high	97.3	Very high	55 Å²	55	19.3 Å²	19.3	21%	0.208	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-51.1	177.3	-175	-174.1	66.4	-136.9	-14.1	112	A952 A953 V954 C958 L959 Q960 I1106	A952-R956 WeakPolarHBondContact O-CB 3.47Å; A952-R956 PolarHBondContact O-N 2.77Å; A953-R956 WeakPolarHBondContact O-CB 3.43Å; A953-R956 PolarHBondContact O-N 3.31Å; V954-R956 VanDerWaalsContact C-N 3.28Å; V954-R956 PolarHBondContact O-N 3.41Å; R956-C958 VanDerWaalsContact C-N 3.35Å; R956-C958 PolarHBondContact O-N 2.86Å; R956-L959 PolarHBondContact O-N 3.38Å; R956-Q960 WeakPolarHBondContact O-CG 3.41Å; R956-Q960 PolarHBondContact O-N 3.05Å; R956-I1106 HydrophobicContact CB-CD1 4.48Å; R956-I1106 HydrophobicContact CB-CG2 3.87Å; R956-I1106 HydrophobicContact CG-CG2 3.77Å
957	E	98.5	Very high	97.1	Very high	18 Å²	18	25.8 Å²	25.8	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-41.2	-179.1	-57	-47.3	111.5	0	0	111.5	N911 A953 V954 Q960 A961 V988 L1113	N911-E957 WeakPolarHBondContact CB-O 3.43Å; N911-E957 WeakPolarHBondContact ND2-CB 3.31Å; N911-E957 PolarHBondContact ND2-OE2 3.17Å; A953-E957 WeakPolarHBondContact O-CG 3.26Å; A953-E957 PolarHBondContact O-N 3.19Å; V954-E957 PolarHBondContact O-N 3.02Å; E957-Q960 PolarHBondContact O-N 3.01Å; E957-Q960 PolarHBondContact OE2-OE1 3.42Å; E957-A961 PolarHBondContact O-N 3.34Å; E957-A961 VanDerWaalsContact O-N 3.13Å; E957-V988 HydrophobicContact CB-CB 3.71Å; E957-V988 HydrophobicContact CB-CG1 4.08Å; E957-V988 HydrophobicContact CB-CG2 4.34Å; E957-V988 HydrophobicContact CG-CB 3.88Å; E957-V988 HydrophobicContact CG-CG2 4.04Å; E957-L1113 HydrophobicContact CG-CD1 4.16Å; E957-L1113 HydrophobicContact CG-CD2 3.79Å
958	C	98.5	Very high	96.6	Very high	7 Å²	7	25 Å²	25	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-40	174.4	-66.6	0	0	0	0	112.1	V954 R956 A961 L962 I980 L1035	V954-C958 PolarHBondContact O-N 3.42Å; V954-C958 VanDerWaalsContact O-N 3.08Å; V954-C958 PolarHBondContact O-SG 3.12Å; R956-C958 VanDerWaalsContact C-N 3.35Å; R956-C958 PolarHBondContact O-N 2.86Å; C958-A961 PolarHBondContact O-N 2.93Å; C958-L962 WeakPolarHBondContact O-CG 3.45Å; C958-L962 PolarHBondContact O-N 3.2Å; C958-I980 VanDerWaalsContact SG-CD1 3.58Å; C958-L1035 HydrophobicContact CB-CD1 3.83Å
959	L	98.6	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-35	175.7	-79	166.6	0	0	0	113	C955 R956 L962 E963 I1032 L1035 F1082 A1097 L1100 L1101 I1106	C955-L959 VanDerWaalsContact O-CB 3.27Å; C955-L959 WeakPolarHBondContact O-CB 3.46Å; C955-L959 WeakPolarHBondContact O-CD1 3.36Å; C955-L959 WeakPolarHBondContact O-CG 3.36Å; C955-L959 PolarHBondContact O-N 2.88Å; R956-L959 PolarHBondContact O-N 3.38Å; L959-L962 PolarHBondContact O-N 3.04Å; L959-E963 WeakPolarHBondContact O-CB 3.45Å; L959-E963 PolarHBondContact O-N 3.32Å; L959-I1032 HydrophobicContact CD2-CD1 4.22Å; L959-L1035 HydrophobicContact CD1-CD2 4.28Å; L959-L1035 HydrophobicContact CD2-CD2 3.46Å; L959-L1035 VanDerWaalsContact CD2-CD2 3.46Å; L959-L1035 HydrophobicContact CG-CD2 3.61Å; L959-F1082 HydrophobicContact CD1-CE2 3.9Å; L959-F1082 HydrophobicContact CD1-CZ 4.03Å; L959-A1097 HydrophobicContact CD2-CB 4.19Å; L959-L1100 HydrophobicContact CD1-CB 3.77Å; L959-L1100 HydrophobicContact CD2-CB 3.71Å; L959-L1100 HydrophobicContact CD2-CD1 4.04Å; L959-L1100 HydrophobicContact CG-CB 4.42Å; L959-L1101 HydrophobicContact CB-CD2 3.52Å; L959-L1101 HydrophobicContact CB-CG 3.87Å; L959-I1106 HydrophobicContact CD1-CD1 4.01Å; L959-I1106 HydrophobicContact CD1-CG1 3.98Å
960	Q	98.2	Very high	95.5	Very high	60 Å²	60	26.8 Å²	26.8	28%	0.28	12%	0.122	S	C	.	.	H	α-helix	trans	-64.3	-44.8	173.7	-69.6	166.5	-10.9	0	0	110.8	N911 R956 E957 L962 E963 F964 L1101	N911-Q960 PolarHBondContact OD1-OE1 3.15Å; R956-Q960 WeakPolarHBondContact O-CG 3.41Å; R956-Q960 PolarHBondContact O-N 3.05Å; E957-Q960 PolarHBondContact O-N 3.01Å; E957-Q960 PolarHBondContact OE2-OE1 3.42Å; Q960-L962 PolarHBondContact O-N 3.02Å; Q960-E963 PolarHBondContact O-N 2.86Å; Q960-F964 WeakPolarHBondContact O-CB 3.21Å; Q960-F964 PolarHBondContact O-N 3.34Å; Q960-F964 VanDerWaalsContact O-N 3.09Å; Q960-L1101 HydrophobicContact CG-CD2 3.77Å
961	A	96.4	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-44.7	172.8	0	0	0	0	0	112.1	N911 V912 E957 C958 F964 L965 L990	N911-A961 HydrophobicContact CB-CB 4.05Å; V912-A961 HydrophobicContact CG2-CB 4.12Å; E957-A961 PolarHBondContact O-N 3.34Å; E957-A961 VanDerWaalsContact O-N 3.13Å; C958-A961 PolarHBondContact O-N 2.93Å; A961-F964 PolarHBondContact O-N 3.05Å; A961-L965 WeakPolarHBondContact O-CB 3.39Å; A961-L965 VanDerWaalsContact O-CG 3.24Å; A961-L965 WeakPolarHBondContact O-CG 3.21Å; A961-L965 PolarHBondContact O-N 3.49Å; A961-L990 HydrophobicContact CB-CB 4.28Å; A961-L990 HydrophobicContact CB-CD2 4.2Å
962	L	97	Very high	94.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-67.7	-40.9	179.1	-71.2	178.6	0	0	0	112.9	C958 L959 Q960 F964 L965 H966 H972 I975 D1031 I1032 L1035 A1097	C958-L962 WeakPolarHBondContact O-CG 3.45Å; C958-L962 PolarHBondContact O-N 3.2Å; L959-L962 PolarHBondContact O-N 3.04Å; Q960-L962 PolarHBondContact O-N 3.02Å; L962-F964 VanDerWaalsContact C-N 3.34Å; L962-F964 PolarHBondContact O-N 3.04Å; L962-L965 PolarHBondContact O-N 2.79Å; L962-H966 VanDerWaalsContact O-CB 3.25Å; L962-H966 WeakPolarHBondContact O-CB 3.39Å; L962-H966 PolarHBondContact O-CD2 3.06Å; L962-H966 VanDerWaalsContact O-CD2 3.25Å; L962-H966 PolarHBondContact O-N 3.16Å; L962-H972 HydrophobicContact CD2-CB 4.5Å; L962-I975 HydrophobicContact CD2-CD1 3.88Å; L962-I975 HydrophobicContact CD2-CG1 4.16Å; L962-D1031 HydrophobicContact CD1-CB 4.07Å; L962-D1031 HydrophobicContact CD2-CB 3.67Å; L962-I1032 HydrophobicContact CD1-CD1 4.17Å; L962-L1035 HydrophobicContact CD1-CD2 4.47Å; L962-A1097 HydrophobicContact CB-CB 4.13Å
963	E	96.8	Very high	94	Very high	54 Å²	54	26.3 Å²	26.3	25%	0.252	12%	0.12	S	C	.	.	H	α-helix	trans	-59.1	-47.8	174.5	-164.5	-143.5	155	0	0	110.4	L959 Q960 L965 H966 K967 A1097 F1098 L1101	L959-E963 WeakPolarHBondContact O-CB 3.45Å; L959-E963 PolarHBondContact O-N 3.32Å; Q960-E963 PolarHBondContact O-N 2.86Å; E963-L965 PolarHBondContact O-N 3.37Å; E963-H966 PolarHBondContact O-N 3.14Å; E963-K967 WeakPolarHBondContact O-CB 3.41Å; E963-K967 PolarHBondContact O-N 3.32Å; E963-A1097 HydrophobicContact CB-CB 3.96Å; E963-F1098 HydrophobicContact CG-CB 4.24Å; E963-L1101 HydrophobicContact CB-CD1 3.85Å; E963-L1101 HydrophobicContact CG-CD1 4.2Å; E963-L1101 WeakPolarHBondContact OE2-CD1 3.17Å
964	F	94.4	Very high	93.6	Very high	41 Å²	41	26.6 Å²	26.6	18%	0.18	12%	0.121	C	C	.	.	H	α-helix	trans	-57.1	-47.7	176.5	171.1	-100.6	0	0	0	112.1	K907 K908 H909 Q960 A961 L962 N968	K907-F964 HydrophobicContact CB-CE1 3.9Å; K907-F964 HydrophobicContact CB-CZ 3.81Å; K907-F964 HydrophobicContact CD-CZ 4.45Å; K907-F964 WeakPolarHBondContact O-CE1 3.02Å; K908-F964 WeakPolarHBondContact O-CZ 3.33Å; H909-F964 HydrophobicContact CB-CD1 3.69Å; H909-F964 HydrophobicContact CB-CD2 4.41Å; H909-F964 HydrophobicContact CB-CE1 3.71Å; H909-F964 HydrophobicContact CB-CE2 4.43Å; H909-F964 HydrophobicContact CB-CG 4.05Å; H909-F964 HydrophobicContact CB-CZ 4.08Å; H909-F964 AromaticContact CD2-CD2 3.62Å; H909-F964 AromaticContact CD2-CG 3.45Å; H909-F964 VanDerWaalsContact CD2-CG 3.45Å; H909-F964 WeakPolarHBondContact CD2-CG 3.37Å; H909-F964 AromaticContact CG-CD1 3.89Å; H909-F964 AromaticContact CG-CG 3.82Å; Q960-F964 WeakPolarHBondContact O-CB 3.21Å; Q960-F964 PolarHBondContact O-N 3.34Å; Q960-F964 VanDerWaalsContact O-N 3.09Å; A961-F964 PolarHBondContact O-N 3.05Å; L962-F964 VanDerWaalsContact C-N 3.34Å; L962-F964 PolarHBondContact O-N 3.04Å; F964-N968 WeakPolarHBondContact O-CB 3.34Å; F964-N968 PolarHBondContact O-N 3.12Å; F964-N968 VanDerWaalsContact O-N 3.14Å; F964-N968 PolarHBondContact O-ND2 3.35Å
965	L	92.2	Very high	93.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-48	-179.8	-68.7	170.1	0	0	0	111.9	A961 L962 E963 K967 N968 Q969 V970 L990 F993	A961-L965 WeakPolarHBondContact O-CB 3.39Å; A961-L965 VanDerWaalsContact O-CG 3.24Å; A961-L965 WeakPolarHBondContact O-CG 3.21Å; A961-L965 PolarHBondContact O-N 3.49Å; L962-L965 PolarHBondContact O-N 2.79Å; E963-L965 PolarHBondContact O-N 3.37Å; L965-K967 VanDerWaalsContact C-N 3.34Å; L965-K967 PolarHBondContact O-N 3.01Å; L965-N968 CarbonylContact O-C 3.48Å; L965-N968 VanDerWaalsContact O-C 3.31Å; L965-N968 WeakPolarHBondContact O-CA 3.16Å; L965-N968 PolarHBondContact O-N 3.49Å; L965-Q969 PolarHBondContact O-N 2.75Å; L965-Q969 VanDerWaalsContact O-N 3.15Å; L965-V970 CarbonylContact C-O 3.58Å; L965-V970 VanDerWaalsContact C-O 3.22Å; L965-V970 HydrophobicContact CB-CB 4.22Å; L965-V970 HydrophobicContact CD2-CB 4.19Å; L965-V970 HydrophobicContact CD2-CG1 4.16Å; L965-V970 PolarHBondContact O-N 2.86Å; L965-L990 HydrophobicContact CD1-CD2 3.72Å; L965-F993 HydrophobicContact CD1-CE1 3.8Å; L965-F993 HydrophobicContact CD1-CZ 4.37Å; L965-F993 HydrophobicContact CD2-CE1 3.77Å; L965-F993 HydrophobicContact CG-CE1 4.44Å
966	H	93.6	Very high	93.2	Very high	21 Å²	21	27.8 Å²	27.8	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-40.5	-178.2	-67.4	-170.2	0	0	0	111.4	L962 E963 N968 Q969 V970 P1028 D1031	L962-H966 VanDerWaalsContact O-CB 3.25Å; L962-H966 WeakPolarHBondContact O-CB 3.39Å; L962-H966 PolarHBondContact O-CD2 3.06Å; L962-H966 VanDerWaalsContact O-CD2 3.25Å; L962-H966 PolarHBondContact O-N 3.16Å; E963-H966 PolarHBondContact O-N 3.14Å; H966-N968 VanDerWaalsContact C-N 3.29Å; H966-N968 PolarHBondContact O-N 3.32Å; H966-Q969 WeakPolarHBondContact O-CA 3.38Å; H966-Q969 PolarHBondContact O-N 2.97Å; H966-Q969 PolarHBondContact O-NE2 3.22Å; H966-V970 PolarHBondContact CD2-O 3.47Å; H966-V970 PolarHBondContact N-O 3.13Å; H966-P1028 HydrophobicContact CB-CB 4.17Å; H966-P1028 PolarHBondContact CE1-O 2.92Å; H966-P1028 WeakPolarHBondContact ND1-CB 3.29Å; H966-P1028 PolarHBondContact NE2-O 3.46Å; H966-D1031 IonicContact CD2-OD2 2.77Å; H966-D1031 IonicContact CE1-OD2 3.25Å; H966-D1031 IonicContact NE2-OD2 2.9Å; H966-D1031 PolarHBondContact NE2-OD2 3.32Å
967	K	92.3	Very high	93	Very high	156 Å²	156	25.2 Å²	25.2	68%	0.678	12%	0.117	S	C	*	.	H	α-helix	trans	-62.2	-34.7	172.9	-172.8	174.4	-171.2	168	0	112.5	E963 L965 Q969	E963-K967 WeakPolarHBondContact O-CB 3.41Å; E963-K967 PolarHBondContact O-N 3.32Å; L965-K967 VanDerWaalsContact C-N 3.34Å; L965-K967 PolarHBondContact O-N 3.01Å; K967-Q969 PolarHBondContact O-N 3.09Å
968	N	86.8	Confident	92.7	Very high	44 Å²	44	27 Å²	27	24%	0.235	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	12.1	172	-77.1	-85.8	0	0	0	113.8	K907 F964 L965 H966 V970	K907-N968 VanDerWaalsContact CE-OD1 3.3Å; K907-N968 WeakPolarHBondContact CE-OD1 3.27Å; K907-N968 PolarHBondContact NZ-OD1 2.63Å; F964-N968 WeakPolarHBondContact O-CB 3.34Å; F964-N968 PolarHBondContact O-N 3.12Å; F964-N968 VanDerWaalsContact O-N 3.14Å; F964-N968 PolarHBondContact O-ND2 3.35Å; L965-N968 CarbonylContact O-C 3.48Å; L965-N968 VanDerWaalsContact O-C 3.31Å; L965-N968 WeakPolarHBondContact O-CA 3.16Å; L965-N968 PolarHBondContact O-N 3.49Å; H966-N968 VanDerWaalsContact C-N 3.29Å; H966-N968 PolarHBondContact O-N 3.32Å; N968-V970 VanDerWaalsContact C-N 3.27Å; N968-V970 PolarHBondContact O-N 3.33Å
969	Q	85.9	Confident	92.4	Very high	78 Å²	78	27.1 Å²	27.1	36%	0.364	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	30.9	-179	-62.7	-60.9	-60.6	0	0	114.1	L965 H966 K967 Q998 L999	L965-Q969 PolarHBondContact O-N 2.75Å; L965-Q969 VanDerWaalsContact O-N 3.15Å; H966-Q969 WeakPolarHBondContact O-CA 3.38Å; H966-Q969 PolarHBondContact O-N 2.97Å; H966-Q969 PolarHBondContact O-NE2 3.22Å; K967-Q969 PolarHBondContact O-N 3.09Å; Q969-Q998 CarbonylContact O-C 3.14Å; Q969-Q998 WeakPolarHBondContact O-CA 3.37Å; Q969-L999 HydrophobicContact CB-CB 4.24Å; Q969-L999 PolarHBondContact O-N 2.97Å
970	V	85.9	Confident	92.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.6	173.4	-177.2	0	0	0	0	109.7	V903 L965 H966 N968 C996 A997	V903-V970 HydrophobicContact CG1-CG2 4.44Å; V903-V970 HydrophobicContact CG2-CG2 4.35Å; L965-V970 CarbonylContact C-O 3.58Å; L965-V970 VanDerWaalsContact C-O 3.22Å; L965-V970 HydrophobicContact CB-CB 4.22Å; L965-V970 HydrophobicContact CD2-CB 4.19Å; L965-V970 HydrophobicContact CD2-CG1 4.16Å; L965-V970 PolarHBondContact O-N 2.86Å; H966-V970 PolarHBondContact CD2-O 3.47Å; H966-V970 PolarHBondContact N-O 3.13Å; N968-V970 VanDerWaalsContact C-N 3.27Å; N968-V970 PolarHBondContact O-N 3.33Å; V970-C996 HydrophobicContact CG1-CB 3.98Å; V970-A997 WeakPolarHBondContact CA-O 3.09Å
971	I	88.6	Confident	92.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.8	165.6	-42.1	176.3	0	0	0	108.3	R973 C996 A997 L999 Y1026 P1028 V1030 D1031	I971-R973 HydrophobicContact CB-CG 4Å; I971-R973 HydrophobicContact CG2-CG 3.6Å; I971-C996 CarbonylContact O-C 3.56Å; I971-C996 WeakPolarHBondContact O-CA 3.37Å; I971-A997 HydrophobicContact CB-CB 4.02Å; I971-A997 HydrophobicContact CG1-CB 4.43Å; I971-A997 PolarHBondContact N-O 3.35Å; I971-A997 PolarHBondContact O-N 3.33Å; I971-L999 HydrophobicContact CD1-CD1 4.05Å; I971-L999 HydrophobicContact CD1-CD2 3.91Å; I971-L999 HydrophobicContact CD1-CG 4.23Å; I971-L999 HydrophobicContact CG1-CD1 4.05Å; I971-L999 HydrophobicContact CG1-CD2 4.42Å; I971-L999 HydrophobicContact CG1-CG 4.24Å; I971-Y1026 HydrophobicContact CD1-CD2 4.44Å; I971-Y1026 HydrophobicContact CD1-CE2 4.39Å; I971-P1028 HydrophobicContact CD1-CG 4.38Å; I971-P1028 HydrophobicContact CG1-CB 4.21Å; I971-P1028 HydrophobicContact CG1-CG 4.06Å; I971-V1030 HydrophobicContact CG2-CG2 3.59Å; I971-D1031 WeakPolarHBondContact CG2-OD1 3.45Å; I971-D1031 VanDerWaalsContact CG2-OD2 3.22Å; I971-D1031 WeakPolarHBondContact CG2-OD2 3.48Å
972	H	88.6	Confident	92.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.			trans	-76.1	-51.2	179.2	-160.2	-102.1	0	0	0	112.7	L962 D974 I975 T991 F995 C996 D1031	L962-H972 HydrophobicContact CD2-CB 4.5Å; H972-D974 PolarHBondContact CE1-O 2.68Å; H972-D974 PolarHBondContact ND1-O 2.58Å; H972-D974 PolarHBondContact O-N 2.79Å; H972-I975 HydrophobicContact CB-CD1 3.76Å; H972-I975 HydrophobicContact CB-CG1 3.95Å; H972-I975 WeakPolarHBondContact ND1-CD1 3.33Å; H972-T991 PolarHBondContact CE1-O 3.31Å; H972-T991 VanDerWaalsContact CE1-O 3.26Å; H972-T991 PolarHBondContact NE2-O 3Å; H972-F995 CarbonylContact O-C 3.48Å; H972-C996 PolarHBondContact CD2-SG 2.88Å; H972-D1031 PolarHBondContact N-OD1 3.33Å; H972-D1031 PolarHBondContact N-OD2 2.89Å
973	R	87.4	Confident	92.4	Very high	12 Å²	12	26.7 Å²	26.7	5%	0.045	13%	0.127	C	C	.	.	S	Bend	trans	69.1	0.6	178.6	-48.5	-172.9	-64.8	171.2	-0.2	117.3	I971 F995 C996 A997 T1008 G1011 Y1026 D1031	I971-R973 HydrophobicContact CB-CG 4Å; I971-R973 HydrophobicContact CG2-CG 3.6Å; R973-F995 PolarHBondContact NE-O 2.87Å; R973-F995 PolarHBondContact NH2-O 3.1Å; R973-C996 PolarHBondContact NH2-O 3.5Å; R973-A997 HydrophobicContact CG-CB 4.32Å; R973-T1008 PolarHBondContact NH1-OG1 2.92Å; R973-G1011 WeakPolarHBondContact O-CA 3.48Å; R973-Y1026 VanDerWaalsContact CD-OH 3.24Å; R973-Y1026 WeakPolarHBondContact CD-OH 3.46Å; R973-Y1026 HydrophobicContact CG-CE2 4.33Å; R973-Y1026 PolarHBondContact NH1-OH 3.35Å; R973-D1031 PolarHBondContact N-OD1 2.81Å
974	D	88.9	Confident	92.3	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.032	14%	0.135	C	C	.	.			trans	-143.7	65.7	170.5	-160.2	47.4	0	0	0	108.8	H972 K976 N979 F995 T1012	H972-D974 PolarHBondContact CE1-O 2.68Å; H972-D974 PolarHBondContact ND1-O 2.58Å; H972-D974 PolarHBondContact O-N 2.79Å; D974-K976 VanDerWaalsContact OD2-CE 3.26Å; D974-K976 WeakPolarHBondContact OD2-CE 3.49Å; D974-N979 PolarHBondContact O-ND2 2.81Å; D974-N979 PolarHBondContact OD2-ND2 3.44Å; D974-F995 HydrophobicContact CB-CB 4.18Å; D974-F995 HydrophobicContact CB-CD2 3.6Å; D974-F995 HydrophobicContact CB-CE2 4.44Å; D974-F995 HydrophobicContact CB-CG 4.3Å; D974-T1012 WeakPolarHBondContact OD1-CB 3.44Å; D974-T1012 PolarHBondContact OD1-N 3.16Å; D974-T1012 PolarHBondContact OD1-OG1 3.28Å
975	I	95.1	Very high	92.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.153	C	C	.	.			trans	-88.1	124.3	171.8	-64.2	-66.1	0	0	0	107.9	L962 H972 L990 D1031 S1034 L1035 M1038	L962-I975 HydrophobicContact CD2-CD1 3.88Å; L962-I975 HydrophobicContact CD2-CG1 4.16Å; H972-I975 HydrophobicContact CB-CD1 3.76Å; H972-I975 HydrophobicContact CB-CG1 3.95Å; H972-I975 WeakPolarHBondContact ND1-CD1 3.33Å; I975-L990 HydrophobicContact CD1-CD1 3.52Å; I975-L990 HydrophobicContact CD1-CD2 3.82Å; I975-L990 HydrophobicContact CD1-CG 4.35Å; I975-D1031 HydrophobicContact CG1-CB 4.01Å; I975-S1034 WeakPolarHBondContact O-CB 3.48Å; I975-L1035 HydrophobicContact CG2-CB 4.46Å; I975-M1038 HydrophobicContact CG2-SD 4.3Å
976	K	94.4	Very high	92.6	Very high	24 Å²	24	30.9 Å²	30.9	10%	0.104	15%	0.153	C	C	.	.	S	Bend	trans	-171.3	164.2	-178.3	52.4	170.7	-177.3	158.4	0	109.3	D974 D978 N979 T1012 W1015	D974-K976 VanDerWaalsContact OD2-CE 3.26Å; D974-K976 WeakPolarHBondContact OD2-CE 3.49Å; K976-D978 VanDerWaalsContact C-N 3.31Å; K976-D978 HydrophobicContact CD-CB 4.09Å; K976-D978 WeakPolarHBondContact CD-OD2 3.41Å; K976-D978 WeakPolarHBondContact CE-OD2 3.42Å; K976-D978 HydrophobicContact CG-CB 4.31Å; K976-D978 IonicContact NZ-OD2 3.99Å; K976-D978 PolarHBondContact NZ-OD2 2.9Å; K976-D978 PolarHBondContact O-N 2.85Å; K976-N979 WeakPolarHBondContact CE-ND2 3.18Å; K976-N979 HydrophobicContact CG-CB 4.33Å; K976-N979 PolarHBondContact O-N 2.91Å; K976-N979 VanDerWaalsContact O-N 3.08Å; K976-T1012 PolarHBondContact NZ-OG1 2.74Å; K976-W1015 HydrophobicContact CB-CD2 3.68Å; K976-W1015 HydrophobicContact CB-CE3 4.28Å; K976-W1015 HydrophobicContact CB-CG 3.96Å; K976-W1015 HydrophobicContact CB-CH2 4.28Å; K976-W1015 HydrophobicContact CB-CZ2 3.72Å; K976-W1015 HydrophobicContact CD-CE3 4.4Å; K976-W1015 HydrophobicContact CD-CH2 4.23Å; K976-W1015 HydrophobicContact CD-CZ2 4.47Å; K976-W1015 HydrophobicContact CD-CZ3 4.23Å
977	S	95.4	Very high	92.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-47.8	-46	177.6	56	0	0	0	0	114.4	L937 T938 N979 I980 E1041	L937-S977 PolarHBondContact N-O 3.02Å; T938-S977 PolarHBondContact OG1-OG 3.38Å; S977-N979 PolarHBondContact O-N 2.91Å; S977-N979 VanDerWaalsContact O-N 3.13Å; S977-I980 PolarHBondContact O-N 3.09Å; S977-E1041 WeakPolarHBondContact CB-OE1 3.45Å; S977-E1041 VanDerWaalsContact OG-CD 3.29Å; S977-E1041 PolarHBondContact OG-OE1 3.07Å; S977-E1041 PolarHBondContact OG-OE2 2.92Å
978	D	90.9	Very high	93.1	Very high	56 Å²	56	23.6 Å²	23.6	30%	0.299	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-54.6	-35.1	-179.9	-59.2	-31.2	0	0	0	113.3	T938 K976	T938-D978 WeakPolarHBondContact CG2-OD1 3.02Å; T938-D978 WeakPolarHBondContact OG1-CA 3.44Å; T938-D978 PolarHBondContact OG1-N 3.2Å; T938-D978 VanDerWaalsContact OG1-N 3.11Å; T938-D978 PolarHBondContact OG1-OD1 2.79Å; K976-D978 VanDerWaalsContact C-N 3.31Å; K976-D978 HydrophobicContact CD-CB 4.09Å; K976-D978 WeakPolarHBondContact CD-OD2 3.41Å; K976-D978 WeakPolarHBondContact CE-OD2 3.42Å; K976-D978 HydrophobicContact CG-CB 4.31Å; K976-D978 IonicContact NZ-OD2 3.99Å; K976-D978 PolarHBondContact NZ-OD2 2.9Å; K976-D978 PolarHBondContact O-N 2.85Å
979	N	93.4	Very high	93.6	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.048	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-95.3	4.7	-174	-61.8	-10.4	0	0	0	111.8	D974 K976 S977 T991	D974-N979 PolarHBondContact O-ND2 2.81Å; D974-N979 PolarHBondContact OD2-ND2 3.44Å; K976-N979 WeakPolarHBondContact CE-ND2 3.18Å; K976-N979 HydrophobicContact CG-CB 4.33Å; K976-N979 PolarHBondContact O-N 2.91Å; K976-N979 VanDerWaalsContact O-N 3.08Å; S977-N979 PolarHBondContact O-N 2.91Å; S977-N979 VanDerWaalsContact O-N 3.13Å; N979-T991 WeakPolarHBondContact O-CG2 3.48Å; N979-T991 PolarHBondContact O-N 3.28Å
980	I	97.1	Very high	94.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.5	168.6	-56.7	-51.4	0	0	0	108.2	S936 L937 C958 S977 L982 V988 L990 M1038	S936-I980 CarbonylContact C-O 3.56Å; S936-I980 WeakPolarHBondContact CA-O 3.36Å; L937-I980 HydrophobicContact CB-CB 3.93Å; L937-I980 HydrophobicContact CB-CG2 4.1Å; L937-I980 HydrophobicContact CD2-CB 4.25Å; L937-I980 HydrophobicContact CD2-CG1 4.43Å; L937-I980 HydrophobicContact CD2-CG2 4.29Å; L937-I980 PolarHBondContact N-O 2.88Å; C958-I980 VanDerWaalsContact SG-CD1 3.58Å; S977-I980 PolarHBondContact O-N 3.09Å; I980-L982 HydrophobicContact CG2-CD2 4.41Å; I980-V988 HydrophobicContact CG2-CG1 3.45Å; I980-V988 VanDerWaalsContact CG2-CG1 3.45Å; I980-L990 HydrophobicContact CD1-CB 4.36Å; I980-L990 HydrophobicContact CD1-CD1 3.76Å; I980-M1038 HydrophobicContact CD1-SD 4.4Å; I980-M1038 HydrophobicContact CG1-CE 4.1Å; I980-M1038 HydrophobicContact CG1-SD 3.59Å; I980-M1038 VanDerWaalsContact CG1-SD 3.59Å
981	L	97	Very high	94.3	Very high	45 Å²	45	20 Å²	20	24%	0.236	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.5	176.9	-61	-172.7	0	0	0	111.4	V913 L932 G935 K989 T991	V913-L981 HydrophobicContact CG2-CD1 4.26Å; L932-L981 HydrophobicContact CB-CB 4.35Å; L932-L981 HydrophobicContact CD1-CB 3.44Å; L932-L981 VanDerWaalsContact CD1-CB 3.44Å; L932-L981 HydrophobicContact CD1-CD1 4.25Å; L932-L981 HydrophobicContact CD1-CG 4.5Å; G935-L981 CarbonylContact O-C 3.59Å; G935-L981 WeakPolarHBondContact O-CA 3.49Å; L981-K989 PolarHBondContact N-O 3.35Å; L981-K989 PolarHBondContact O-N 3.32Å; L981-T991 HydrophobicContact CD1-CG2 3.98Å; L981-T991 HydrophobicContact CG-CG2 3.86Å
982	L	98	Very high	93.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138	-173.1	-57.6	178.4	0	0	0	111.4	G934 G935 L937 V940 I980 S987 V988 I1120	G934-L982 CarbonylContact C-O 3.31Å; G934-L982 WeakPolarHBondContact CA-O 3.33Å; G934-L982 PolarHBondContact N-O 3.15Å; G935-L982 PolarHBondContact N-O 3.31Å; G935-L982 PolarHBondContact O-N 2.87Å; L937-L982 HydrophobicContact CD1-CD1 4.32Å; V940-L982 HydrophobicContact CB-CD1 4.46Å; V940-L982 HydrophobicContact CG2-CD1 3.62Å; I980-L982 HydrophobicContact CG2-CD2 4.41Å; L982-S987 CarbonylContact C-O 3.49Å; L982-S987 VanDerWaalsContact CA-O 3.3Å; L982-S987 WeakPolarHBondContact CA-O 3.47Å; L982-V988 HydrophobicContact CD2-CB 4.29Å; L982-V988 HydrophobicContact CD2-CG1 4.16Å; L982-V988 HydrophobicContact CD2-CG2 3.88Å; L982-I1120 HydrophobicContact CB-CD1 3.99Å; L982-I1120 HydrophobicContact CB-CG1 4.47Å; L982-I1120 HydrophobicContact CD1-CD1 4.05Å; L982-I1120 HydrophobicContact CD1-CG1 3.91Å
983	G	97.1	Very high	92.8	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	12%	0.119	C	C	.	.			trans	-88.9	157.7	164.9	0	0	0	0	0	111.9	D985 G986 S987 I1120	G983-D985 WeakPolarHBondContact CA-OD1 3.31Å; G983-D985 PolarHBondContact O-N 3.18Å; G983-G986 WeakPolarHBondContact O-CA 3.24Å; G983-G986 PolarHBondContact O-N 3.04Å; G983-S987 PolarHBondContact N-O 3.1Å; G983-I1120 WeakPolarHBondContact O-CD1 3.29Å
984	L	95.7	Very high	91.3	Very high	79 Å²	79	22.6 Å²	22.6	41%	0.414	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.9	176.2	-67.3	172.9	0	0	0	113.1	D933 G986 T1117 I1120 L1121	D933-L984 HydrophobicContact CB-CD1 3.67Å; D933-L984 HydrophobicContact CB-CG 3.9Å; L984-G986 PolarHBondContact O-N 2.88Å; L984-T1117 WeakPolarHBondContact O-CB 3.33Å; L984-T1117 WeakPolarHBondContact O-CG2 3.41Å; L984-T1117 PolarHBondContact O-OG1 3.25Å; L984-I1120 HydrophobicContact CD2-CG2 3.96Å; L984-L1121 HydrophobicContact CD2-CD2 4.28Å
985	D	96	Very high	89.7	Confident	106 Å²	106	25.8 Å²	25.8	57%	0.567	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.1	169.5	65.6	-24.5	0	0	0	113.7	G983 S987	G983-D985 WeakPolarHBondContact CA-OD1 3.31Å; G983-D985 PolarHBondContact O-N 3.18Å; D985-S987 VanDerWaalsContact OD1-CB 3.24Å; D985-S987 WeakPolarHBondContact OD1-CB 3.4Å; D985-S987 PolarHBondContact OD1-N 2.78Å; D985-S987 PolarHBondContact OD1-OG 3.16Å; D985-S987 WeakPolarHBondContact OD2-CB 3.5Å; D985-S987 PolarHBondContact OD2-OG 3.33Å
986	G	97	Very high	87.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.			trans	83.4	6.9	-172.4	0	0	0	0	0	114.2	G983 L984 V988 L1113	G983-G986 WeakPolarHBondContact O-CA 3.24Å; G983-G986 PolarHBondContact O-N 3.04Å; L984-G986 PolarHBondContact O-N 2.88Å; G986-V988 WeakPolarHBondContact O-CG2 3.3Å; G986-L1113 WeakPolarHBondContact O-CB 3.35Å
987	S	97.9	Very high	86	Confident	22 Å²	22	24.8 Å²	24.8	15%	0.154	13%	0.134	C	C	.	.			trans	-62.4	137.1	176.4	58.9	0	0	0	0	111.5	L982 G983 D985	L982-S987 CarbonylContact C-O 3.49Å; L982-S987 VanDerWaalsContact CA-O 3.3Å; L982-S987 WeakPolarHBondContact CA-O 3.47Å; G983-S987 PolarHBondContact N-O 3.1Å; D985-S987 VanDerWaalsContact OD1-CB 3.24Å; D985-S987 WeakPolarHBondContact OD1-CB 3.4Å; D985-S987 PolarHBondContact OD1-N 2.78Å; D985-S987 PolarHBondContact OD1-OG 3.16Å; D985-S987 WeakPolarHBondContact OD2-CB 3.5Å; D985-S987 PolarHBondContact OD2-OG 3.33Å
988	V	98.5	Very high	84.2	Confident	2 Å²	2	29 Å²	29	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	-174	-174.6	0	0	0	0	109.5	N911 V954 E957 I980 L982 G986 L1113 L1116	N911-V988 PolarHBondContact ND2-O 2.7Å; V954-V988 HydrophobicContact CG1-CG1 4.25Å; V954-V988 HydrophobicContact CG2-CG2 4.25Å; E957-V988 HydrophobicContact CB-CB 3.71Å; E957-V988 HydrophobicContact CB-CG1 4.08Å; E957-V988 HydrophobicContact CB-CG2 4.34Å; E957-V988 HydrophobicContact CG-CB 3.88Å; E957-V988 HydrophobicContact CG-CG2 4.04Å; I980-V988 HydrophobicContact CG2-CG1 3.45Å; I980-V988 VanDerWaalsContact CG2-CG1 3.45Å; L982-V988 HydrophobicContact CD2-CB 4.29Å; L982-V988 HydrophobicContact CD2-CG1 4.16Å; L982-V988 HydrophobicContact CD2-CG2 3.88Å; G986-V988 WeakPolarHBondContact O-CG2 3.3Å; V988-L1113 HydrophobicContact CG2-CD2 4.16Å; V988-L1116 HydrophobicContact CG2-CD1 3.94Å
989	K	97.4	Very high	82.7	Confident	34 Å²	34	26.9 Å²	26.9	15%	0.148	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.6	-175.7	-56.6	-168.9	-176.8	173.2	0	113.4	P910 N911 V913 E930 L932 L981	P910-K989 WeakPolarHBondContact O-CD 3.42Å; P910-K989 VanDerWaalsContact O-CE 3.23Å; P910-K989 WeakPolarHBondContact O-CE 3.35Å; N911-K989 WeakPolarHBondContact O-CA 3.38Å; V913-K989 HydrophobicContact CG2-CB 3.81Å; E930-K989 VanDerWaalsContact OE1-CD 3.29Å; E930-K989 WeakPolarHBondContact OE1-CD 3.27Å; E930-K989 IonicContact OE1-NZ 3.88Å; E930-K989 PolarHBondContact OE1-NZ 2.9Å; E930-K989 IonicContact OE2-NZ 2.77Å; E930-K989 PolarHBondContact OE2-NZ 2.88Å; L932-K989 HydrophobicContact CD1-CB 4.05Å; L932-K989 HydrophobicContact CD1-CD 4.14Å; L932-K989 HydrophobicContact CD1-CG 4.36Å; L932-K989 HydrophobicContact CD2-CD 4.28Å; L981-K989 PolarHBondContact N-O 3.35Å; L981-K989 PolarHBondContact O-N 3.32Å
990	L	94.9	Very high	80.5	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.8	175.8	178	60.8	0	0	0	111.9	N911 V913 A961 L965 I975 I980 F993	N911-L990 PolarHBondContact O-N 2.82Å; V913-L990 PolarHBondContact N-O 3.42Å; A961-L990 HydrophobicContact CB-CB 4.28Å; A961-L990 HydrophobicContact CB-CD2 4.2Å; L965-L990 HydrophobicContact CD1-CD2 3.72Å; I975-L990 HydrophobicContact CD1-CD1 3.52Å; I975-L990 HydrophobicContact CD1-CD2 3.82Å; I975-L990 HydrophobicContact CD1-CG 4.35Å; I980-L990 HydrophobicContact CD1-CB 4.36Å; I980-L990 HydrophobicContact CD1-CD1 3.76Å; L990-F993 HydrophobicContact CD2-CZ 4.45Å; L990-F993 HydrophobicContact CG-CZ 4.28Å
991	T	90.3	Very high	78.2	Confident	11 Å²	11	34.3 Å²	34.3	7%	0.067	20%	0.201	C	C	.	.			trans	-130.6	177.7	179.7	-158.4	0	0	0	0	113.5	H972 N979 L981	H972-T991 PolarHBondContact CE1-O 3.31Å; H972-T991 VanDerWaalsContact CE1-O 3.26Å; H972-T991 PolarHBondContact NE2-O 3Å; N979-T991 WeakPolarHBondContact O-CG2 3.48Å; N979-T991 PolarHBondContact O-N 3.28Å; L981-T991 HydrophobicContact CD1-CG2 3.98Å; L981-T991 HydrophobicContact CG-CG2 3.86Å
992	D	77.5	Confident	75.7	Confident	50 Å²	50	41 Å²	41	27%	0.267	23%	0.231	S	C	.	.			trans	62.3	56.9	173.9	-91.4	5	0	0	0	117.2	K884 G994	K884-D992 IonicContact NZ-OD1 2.77Å; K884-D992 PolarHBondContact NZ-OD1 3.26Å; K884-D992 IonicContact NZ-OD2 2.66Å; D992-G994 PolarHBondContact O-N 3.06Å
993	F	68.4	Low	73.6	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.013	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-62.1	3.5	172.1	-63	-97.4	0	0	0	115.3	E900 V903 M904 V912 L965 L990 F995 C996	E900-F993 HydrophobicContact CG-CB 4Å; V903-F993 HydrophobicContact CG1-CD1 4.38Å; M904-F993 HydrophobicContact CE-CD2 4.07Å; M904-F993 HydrophobicContact CG-CB 4.04Å; M904-F993 HydrophobicContact CG-CD2 3.8Å; M904-F993 HydrophobicContact CG-CG 3.9Å; M904-F993 HydrophobicContact SD-CB 4.08Å; M904-F993 HydrophobicContact SD-CD2 3.84Å; M904-F993 HydrophobicContact SD-CG 4.23Å; V912-F993 HydrophobicContact CB-CZ 4.33Å; V912-F993 HydrophobicContact CG1-CE1 4.41Å; V912-F993 HydrophobicContact CG1-CE2 3.65Å; V912-F993 HydrophobicContact CG1-CZ 3.42Å; V912-F993 VanDerWaalsContact CG1-CZ 3.42Å; V912-F993 HydrophobicContact CG2-CZ 4.04Å; L965-F993 HydrophobicContact CD1-CE1 3.8Å; L965-F993 HydrophobicContact CD1-CZ 4.37Å; L965-F993 HydrophobicContact CD2-CE1 3.77Å; L965-F993 HydrophobicContact CG-CE1 4.44Å; L990-F993 HydrophobicContact CD2-CZ 4.45Å; L990-F993 HydrophobicContact CG-CZ 4.28Å; F993-F995 PolarHBondContact O-N 2.92Å; F993-C996 VanDerWaalsContact CA-SG 3.59Å; F993-C996 HydrophobicContact CB-CB 4.33Å; F993-C996 WeakPolarHBondContact CD1-SG 3.42Å; F993-C996 WeakPolarHBondContact O-CB 3.22Å; F993-C996 PolarHBondContact O-N 2.93Å
994	G	56.5	Low	71.4	Confident	14 Å²	14	47.9 Å²	47.9	14%	0.144	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-63.5	-18.6	178.1	0	0	0	0	0	114.1	E900 D992	E900-G994 PolarHBondContact OE1-N 3.42Å; E900-G994 WeakPolarHBondContact OE2-CA 3.17Å; D992-G994 PolarHBondContact O-N 3.06Å
995	F	55.9	Low	69.6	Low	74 Å²	74	48.5 Å²	48.5	33%	0.325	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-98.3	-0.2	171.7	-65.2	-45.2	0	0	0	114.3	H972 R973 D974 F993 V1010	H972-F995 CarbonylContact O-C 3.48Å; R973-F995 PolarHBondContact NE-O 2.87Å; R973-F995 PolarHBondContact NH2-O 3.1Å; D974-F995 HydrophobicContact CB-CB 4.18Å; D974-F995 HydrophobicContact CB-CD2 3.6Å; D974-F995 HydrophobicContact CB-CE2 4.44Å; D974-F995 HydrophobicContact CB-CG 4.3Å; F993-F995 PolarHBondContact O-N 2.92Å; F995-V1010 HydrophobicContact CB-CG1 3.54Å; F995-V1010 HydrophobicContact CD1-CG1 3.19Å; F995-V1010 HydrophobicContact CE1-CG1 4.01Å; F995-V1010 HydrophobicContact CG-CG1 3.5Å; F995-V1010 VanDerWaalsContact CG-CG1 3.5Å
996	C	57.6	Low	67.5	Low	5 Å²	5	46 Å²	46	3%	0.034	25%	0.249	C	C	.	.			trans	-62.1	163	-174.6	-82.4	0	0	0	0	115	V970 I971 H972 R973 F993	V970-C996 HydrophobicContact CG1-CB 3.98Å; I971-C996 CarbonylContact O-C 3.56Å; I971-C996 WeakPolarHBondContact O-CA 3.37Å; H972-C996 PolarHBondContact CD2-SG 2.88Å; R973-C996 PolarHBondContact NH2-O 3.5Å; F993-C996 VanDerWaalsContact CA-SG 3.59Å; F993-C996 HydrophobicContact CB-CB 4.33Å; F993-C996 WeakPolarHBondContact CD1-SG 3.42Å; F993-C996 WeakPolarHBondContact O-CB 3.22Å; F993-C996 PolarHBondContact O-N 2.93Å
997	A	53.8	Low	64.8	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	94	-172.2	0	0	0	0	0	111.6	V970 I971 R973 L999 R1006	V970-A997 WeakPolarHBondContact CA-O 3.09Å; I971-A997 HydrophobicContact CB-CB 4.02Å; I971-A997 HydrophobicContact CG1-CB 4.43Å; I971-A997 PolarHBondContact N-O 3.35Å; I971-A997 PolarHBondContact O-N 3.33Å; R973-A997 HydrophobicContact CG-CB 4.32Å; A997-L999 PolarHBondContact O-N 3.09Å; A997-R1006 VanDerWaalsContact CA-CZ 3.43Å; A997-R1006 VanDerWaalsContact CB-NH1 3.29Å
998	Q	57.1	Low	62.8	Low	90 Å²	90	51.4 Å²	51.4	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125	161.8	-163.2	176.3	31.9	0	0	109.5	Q969 R1006	Q969-Q998 CarbonylContact O-C 3.14Å; Q969-Q998 WeakPolarHBondContact O-CA 3.37Å; Q998-R1006 PolarHBondContact O-NH2 3.11Å
999	L	59.3	Low	60.6	Low	10 Å²	10	53.1 Å²	53.1	5%	0.052	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-87.8	146.6	169.2	-56.3	169.8	0	0	0	108.6	Q969 I971 A997 T1004 R1006 P1028	Q969-L999 HydrophobicContact CB-CB 4.24Å; Q969-L999 PolarHBondContact O-N 2.97Å; I971-L999 HydrophobicContact CD1-CD1 4.05Å; I971-L999 HydrophobicContact CD1-CD2 3.91Å; I971-L999 HydrophobicContact CD1-CG 4.23Å; I971-L999 HydrophobicContact CG1-CD1 4.05Å; I971-L999 HydrophobicContact CG1-CD2 4.42Å; I971-L999 HydrophobicContact CG1-CG 4.24Å; A997-L999 PolarHBondContact O-N 3.09Å; L999-T1004 WeakPolarHBondContact CD1-O 3.44Å; L999-R1006 HydrophobicContact CD2-CG 4Å; L999-P1028 HydrophobicContact CD1-CG 4.08Å
1000	S	48.3	Very low	58.6	Low	62 Å²	62	52.6 Å²	52.6	43%	0.434	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-94.3	158.5	164.5	65	0	0	0	0	109.2	E1002 Q1003 T1004	S1000-E1002 PolarHBondContact O-N 2.75Å; S1000-E1002 VanDerWaalsContact O-N 3.15Å; S1000-Q1003 CarbonylContact O-C 3.44Å; S1000-Q1003 PolarHBondContact O-N 2.83Å; S1000-Q1003 PolarHBondContact OG-N 2.91Å; S1000-Q1003 VanDerWaalsContact OG-N 3.13Å; S1000-T1004 PolarHBondContact O-N 2.95Å
1001	A	48.5	Very low	56.8	Low	104 Å²	104	53.6 Å²	53.6	86%	0.86	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	174.1	0	0	0	0	0	112.7
1002	E	43.4	Very low	56.2	Low	187 Å²	187	54.7 Å²	54.7	87%	0.874	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-20	175.2	-165.5	-177.1	-171.5	0	0	113.4	S1000	S1000-E1002 PolarHBondContact O-N 2.75Å; S1000-E1002 VanDerWaalsContact O-N 3.15Å
1003	Q	53.9	Low	56.5	Low	74 Å²	74	53.1 Å²	53.1	35%	0.346	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-137.2	75.8	-178.8	-173.1	155.3	44.2	0	0	111.7	S1000 K1005	S1000-Q1003 CarbonylContact O-C 3.44Å; S1000-Q1003 PolarHBondContact O-N 2.83Å; S1000-Q1003 PolarHBondContact OG-N 2.91Å; S1000-Q1003 VanDerWaalsContact OG-N 3.13Å; Q1003-K1005 VanDerWaalsContact CG-O 3.3Å; Q1003-K1005 WeakPolarHBondContact CG-O 3.41Å; Q1003-K1005 PolarHBondContact O-N 2.74Å
1004	T	52.8	Low	57.7	Low	76 Å²	76	54.4 Å²	54.4	47%	0.466	31%	0.307	S	S	.	.			trans	-74.3	-2.2	-180	55.5	0	0	0	0	115.2	L999 S1000	L999-T1004 WeakPolarHBondContact CD1-O 3.44Å; S1000-T1004 PolarHBondContact O-N 2.95Å
1005	K	56.4	Low	59.5	Low	92 Å²	92	54 Å²	54	40%	0.4	30%	0.301	S	S	.	.	S	Bend	trans	-141.1	150.2	179.6	-58.7	-173.3	179.9	-169.7	0	110.7	Q1003 Q1025 Y1026	Q1003-K1005 VanDerWaalsContact CG-O 3.3Å; Q1003-K1005 WeakPolarHBondContact CG-O 3.41Å; Q1003-K1005 PolarHBondContact O-N 2.74Å; K1005-Q1025 HydrophobicContact CB-CB 4.15Å; K1005-Q1025 HydrophobicContact CB-CG 3.43Å; K1005-Q1025 VanDerWaalsContact CB-CG 3.43Å; K1005-Q1025 WeakPolarHBondContact CD-O 3.22Å; K1005-Q1025 PolarHBondContact O-NE2 2.79Å; K1005-Y1026 CarbonylContact C-O 3.57Å; K1005-Y1026 WeakPolarHBondContact CA-O 3.35Å; K1005-Y1026 WeakPolarHBondContact CB-O 3.23Å
1006	R	52.4	Low	61.2	Low	53 Å²	53	50.9 Å²	50.9	20%	0.2	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-120.2	165.8	-177.8	-74.9	-172.9	173.1	-153.1	-0.8	113.5	A997 Q998 L999 Q1025 Y1026	A997-R1006 VanDerWaalsContact CA-CZ 3.43Å; A997-R1006 VanDerWaalsContact CB-NH1 3.29Å; Q998-R1006 PolarHBondContact O-NH2 3.11Å; L999-R1006 HydrophobicContact CD2-CG 4Å; R1006-Q1025 CarbonylContact O-C 3.55Å; R1006-Q1025 VanDerWaalsContact O-CA 3.27Å; R1006-Q1025 WeakPolarHBondContact O-CA 3.24Å; R1006-Y1026 HydrophobicContact CB-CD2 4.45Å; R1006-Y1026 HydrophobicContact CB-CE1 4.2Å; R1006-Y1026 HydrophobicContact CB-CE2 3.82Å; R1006-Y1026 PolarHBondContact N-O 3.14Å; R1006-Y1026 WeakPolarHBondContact O-CD1 3.45Å; R1006-Y1026 WeakPolarHBondContact O-CE1 3.29Å; R1006-Y1026 PolarHBondContact O-N 3.09Å
1007	S	40.1	Very low	62.9	Low	62 Å²	62	50.7 Å²	50.7	43%	0.434	29%	0.286	S	S	.	.			trans	-138.6	14.3	178	44.5	0	0	0	0	114.1	Q1025	S1007-Q1025 PolarHBondContact OG-OE1 3.43Å
1008	T	56.5	Low	64.8	Low	73 Å²	73	51 Å²	51	45%	0.448	29%	0.289	S	S	.	.			trans	-84.2	121.6	170.1	43.7	0	0	0	0	109.6	R973 V1010 Y1026	R973-T1008 PolarHBondContact NH1-OG1 2.92Å; T1008-V1010 PolarHBondContact O-N 3.09Å; T1008-Y1026 WeakPolarHBondContact O-CE1 3.24Å; T1008-Y1026 PolarHBondContact O-OH 2.98Å
1009	M	51.2	Low	66.4	Low	38 Å²	38	47.1 Å²	47.1	19%	0.187	27%	0.27	C	S	.	.			trans	-64	124.9	166.3	172	173.7	-113.6	0	0	109.6	L156 M1016 L1058	L156-M1009 HydrophobicContact CB-CE 3.79Å; L156-M1009 HydrophobicContact CB-SD 3.55Å; L156-M1009 VanDerWaalsContact CB-SD 3.55Å; L156-M1009 HydrophobicContact CD1-CE 3.96Å; L156-M1009 HydrophobicContact CD2-CB 3.53Å; L156-M1009 HydrophobicContact CD2-CE 3.89Å; L156-M1009 HydrophobicContact CD2-CG 4.07Å; L156-M1009 HydrophobicContact CD2-SD 3.64Å; L156-M1009 HydrophobicContact CG-CE 4.08Å; L156-M1009 HydrophobicContact CG-SD 4.09Å; M1009-M1016 HydrophobicContact CE-CE 3.67Å; M1009-M1016 HydrophobicContact CE-SD 3.65Å; M1009-M1016 HydrophobicContact CG-CE 4.13Å; M1009-L1058 HydrophobicContact CE-CD1 4.04Å; M1009-L1058 HydrophobicContact CE-CD2 4.09Å
1010	V	55.5	Low	67.7	Low	24 Å²	24	47.1 Å²	47.1	15%	0.145	27%	0.271	C	S	.	.			trans	-154.5	142.9	171.4	-172.3	0	0	0	0	105.4	F995 T1008	F995-V1010 HydrophobicContact CB-CG1 3.54Å; F995-V1010 HydrophobicContact CD1-CG1 3.19Å; F995-V1010 HydrophobicContact CE1-CG1 4.01Å; F995-V1010 HydrophobicContact CG-CG1 3.5Å; F995-V1010 VanDerWaalsContact CG-CG1 3.5Å; T1008-V1010 PolarHBondContact O-N 3.09Å
1011	G	58.3	Low	69.4	Low	23 Å²	23	44.1 Å²	44.1	24%	0.237	25%	0.25	C	C	.	.	S	Bend	trans	127.3	159.1	-177.7	0	0	0	0	0	113	R973	R973-G1011 WeakPolarHBondContact O-CA 3.48Å
1012	T	76.4	Confident	70.9	Confident	35 Å²	35	41 Å²	41	22%	0.215	22%	0.22	C	C	.	.			trans	-82.8	124.7	177.5	-52.7	0	0	0	0	110.4	D974 K976 Y1014 W1015 M1016	D974-T1012 WeakPolarHBondContact OD1-CB 3.44Å; D974-T1012 PolarHBondContact OD1-N 3.16Å; D974-T1012 PolarHBondContact OD1-OG1 3.28Å; K976-T1012 PolarHBondContact NZ-OG1 2.74Å; T1012-Y1014 PolarHBondContact O-N 2.87Å; T1012-Y1014 VanDerWaalsContact O-N 3.09Å; T1012-W1015 HydrophobicContact CG2-CE3 3.75Å; T1012-W1015 HydrophobicContact CG2-CZ3 3.44Å; T1012-W1015 VanDerWaalsContact CG2-CZ3 3.44Å; T1012-W1015 PolarHBondContact O-N 2.73Å; T1012-M1016 WeakPolarHBondContact O-CG 3.5Å
1013	P	85.4	Confident	72	Confident	16 Å²	16	35.4 Å²	35.4	10%	0.104	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-46.1	-47	-162.7	-35.6	37.3	0	0	0	117.7	W1015 M1016 P1054 L1058 I1061	P1013-W1015 VanDerWaalsContact C-N 3.3Å; P1013-W1015 PolarHBondContact O-N 3.38Å; P1013-M1016 VanDerWaalsContact O-CB 3.31Å; P1013-M1016 WeakPolarHBondContact O-CB 2.98Å; P1013-M1016 WeakPolarHBondContact O-CG 3.47Å; P1013-M1016 PolarHBondContact O-N 3.28Å; P1013-M1016 VanDerWaalsContact O-N 3.14Å; P1013-P1054 HydrophobicContact CG-CB 4.39Å; P1013-L1058 HydrophobicContact CB-CD1 4.47Å; P1013-L1058 HydrophobicContact CB-CD2 4.08Å; P1013-L1058 HydrophobicContact CB-CG 4.1Å; P1013-I1061 WeakPolarHBondContact O-CD1 3.17Å
1014	Y	92.3	Very high	72.6	Confident	30 Å²	30	38.7 Å²	38.7	12%	0.118	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.5	-24.3	-171.3	-50.5	-79.6	0	0	0	113.9	T1012 Y1049 L1050 E1052 A1057	T1012-Y1014 PolarHBondContact O-N 2.87Å; T1012-Y1014 VanDerWaalsContact O-N 3.09Å; Y1014-Y1049 WeakPolarHBondContact CD1-O 3.23Å; Y1014-Y1049 WeakPolarHBondContact CE1-O 3.45Å; Y1014-L1050 HydrophobicContact CD2-CD1 4.16Å; Y1014-L1050 HydrophobicContact CE2-CD1 4.07Å; Y1014-E1052 PolarHBondContact OH-O 2.85Å; Y1014-A1057 HydrophobicContact CD1-CB 3.74Å; Y1014-A1057 HydrophobicContact CE1-CB 3.49Å; Y1014-A1057 VanDerWaalsContact CE1-CB 3.49Å
1015	W	94.5	Very high	73.6	Confident	6 Å²	6	38.9 Å²	38.9	2%	0.023	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-95	4.4	176.6	-61.4	-104.1	0	0	0	113.1	Y594 K976 T1012 P1013 S1034 I1037 E1041 P1047	Y594-W1015 WeakPolarHBondContact OH-CH2 3.42Å; K976-W1015 HydrophobicContact CB-CD2 3.68Å; K976-W1015 HydrophobicContact CB-CE3 4.28Å; K976-W1015 HydrophobicContact CB-CG 3.96Å; K976-W1015 HydrophobicContact CB-CH2 4.28Å; K976-W1015 HydrophobicContact CB-CZ2 3.72Å; K976-W1015 HydrophobicContact CD-CE3 4.4Å; K976-W1015 HydrophobicContact CD-CH2 4.23Å; K976-W1015 HydrophobicContact CD-CZ2 4.47Å; K976-W1015 HydrophobicContact CD-CZ3 4.23Å; T1012-W1015 HydrophobicContact CG2-CE3 3.75Å; T1012-W1015 HydrophobicContact CG2-CZ3 3.44Å; T1012-W1015 VanDerWaalsContact CG2-CZ3 3.44Å; T1012-W1015 PolarHBondContact O-N 2.73Å; P1013-W1015 VanDerWaalsContact C-N 3.3Å; P1013-W1015 PolarHBondContact O-N 3.38Å; W1015-S1034 WeakPolarHBondContact O-CA 3.44Å; W1015-S1034 WeakPolarHBondContact O-CB 3.45Å; W1015-S1034 PolarHBondContact O-OG 3.22Å; W1015-I1037 HydrophobicContact CB-CB 4.44Å; W1015-I1037 HydrophobicContact CB-CG2 4.32Å; W1015-I1037 VanDerWaalsContact CD1-CG2 3.47Å; W1015-I1037 HydrophobicContact CG-CB 4.32Å; W1015-I1037 HydrophobicContact CG-CG2 3.86Å; W1015-E1041 WeakPolarHBondContact CZ2-OE2 3.24Å; W1015-E1041 PolarHBondContact NE1-OE2 3.41Å; W1015-P1047 HydrophobicContact CD2-CB 4.39Å; W1015-P1047 HydrophobicContact CD2-CG 4.47Å; W1015-P1047 HydrophobicContact CH2-CG 3.95Å; W1015-P1047 HydrophobicContact CZ2-CB 4.27Å; W1015-P1047 HydrophobicContact CZ2-CG 3.78Å; W1015-P1047 HydrophobicContact CZ3-CG 4.3Å
1016	M	91.5	Very high	74.8	Confident	8 Å²	8	34.8 Å²	34.8	4%	0.039	18%	0.182	C	C	.	.			trans	-78.1	141	-174	-63.7	-167	66.9	0	0	113.1	M1009 T1012 P1013 V1020 W1033 L1058 I1061	M1009-M1016 HydrophobicContact CE-CE 3.67Å; M1009-M1016 HydrophobicContact CE-SD 3.65Å; M1009-M1016 HydrophobicContact CG-CE 4.13Å; T1012-M1016 WeakPolarHBondContact O-CG 3.5Å; P1013-M1016 VanDerWaalsContact O-CB 3.31Å; P1013-M1016 WeakPolarHBondContact O-CB 2.98Å; P1013-M1016 WeakPolarHBondContact O-CG 3.47Å; P1013-M1016 PolarHBondContact O-N 3.28Å; P1013-M1016 VanDerWaalsContact O-N 3.14Å; M1016-V1020 HydrophobicContact CE-CB 3.89Å; M1016-V1020 HydrophobicContact CE-CG1 3.33Å; M1016-W1033 PolarHBondContact O-NE1 2.91Å; M1016-W1033 VanDerWaalsContact O-NE1 3.15Å; M1016-L1058 HydrophobicContact SD-CD2 4.08Å; M1016-I1061 WeakPolarHBondContact O-CG2 3.33Å
1017	A	93.4	Very high	76.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	18%	0.176	C	C	.	.			trans	-78.7	145.8	177.7	0	0	0	0	0	112.5	E1019 V1020 V1021 V1030 W1033	A1017-E1019 VanDerWaalsContact CB-CD 3.48Å; A1017-E1019 HydrophobicContact CB-CG 4.46Å; A1017-E1019 VanDerWaalsContact CB-OE2 3.27Å; A1017-E1019 WeakPolarHBondContact CB-OE2 3.41Å; A1017-E1019 PolarHBondContact O-N 3.26Å; A1017-E1019 VanDerWaalsContact O-N 3.12Å; A1017-V1020 HydrophobicContact CB-CG2 4.28Å; A1017-V1020 WeakPolarHBondContact O-CB 3.11Å; A1017-V1020 PolarHBondContact O-N 3.49Å; A1017-V1021 PolarHBondContact O-N 3.36Å; A1017-V1030 HydrophobicContact CB-CB 4.35Å; A1017-V1030 HydrophobicContact CB-CG1 4.24Å; A1017-W1033 VanDerWaalsContact CA-CD1 3.5Å; A1017-W1033 HydrophobicContact CB-CB 3.67Å; A1017-W1033 HydrophobicContact CB-CD2 4.09Å; A1017-W1033 HydrophobicContact CB-CG 3.57Å
1018	P	92.8	Very high	79.1	Confident	8 Å²	8	31.3 Å²	31.3	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-28.4	-176.9	-26.4	34.1	0	0	0	114.3	V1020 V1021 T1022 W1033 I1061	P1018-V1020 VanDerWaalsContact C-N 3.28Å; P1018-V1020 PolarHBondContact O-N 3.45Å; P1018-V1021 PolarHBondContact O-N 2.98Å; P1018-T1022 WeakPolarHBondContact O-CB 3.14Å; P1018-T1022 WeakPolarHBondContact O-CG2 3.46Å; P1018-T1022 PolarHBondContact O-N 3.09Å; P1018-T1022 PolarHBondContact O-OG1 3.25Å; P1018-W1033 VanDerWaalsContact CD-CZ2 3.46Å; P1018-W1033 HydrophobicContact CG-CH2 3.58Å; P1018-W1033 HydrophobicContact CG-CZ2 3.72Å; P1018-W1033 HydrophobicContact CG-CZ3 4.1Å; P1018-I1061 HydrophobicContact CG-CG2 4.18Å
1019	E	91.5	Very high	80.9	Confident	7 Å²	7	30 Å²	30	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-27.7	174.4	68.3	-90.9	-154.7	0	0	113.6	A1017 T1022 R1023 K1024 V1030 V1091 R1094	A1017-E1019 VanDerWaalsContact CB-CD 3.48Å; A1017-E1019 HydrophobicContact CB-CG 4.46Å; A1017-E1019 VanDerWaalsContact CB-OE2 3.27Å; A1017-E1019 WeakPolarHBondContact CB-OE2 3.41Å; A1017-E1019 PolarHBondContact O-N 3.26Å; A1017-E1019 VanDerWaalsContact O-N 3.12Å; E1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; E1019-R1023 PolarHBondContact O-N 3.48Å; E1019-K1024 HydrophobicContact CB-CB 4.17Å; E1019-K1024 PolarHBondContact O-N 2.95Å; E1019-V1030 HydrophobicContact CG-CG1 4.22Å; E1019-V1030 WeakPolarHBondContact OE1-CG1 3.5Å; E1019-V1091 HydrophobicContact CB-CG2 3.85Å; E1019-V1091 VanDerWaalsContact CD-CG2 3.41Å; E1019-V1091 HydrophobicContact CG-CG2 3.79Å; E1019-R1094 IonicContact OE1-CZ 3.64Å; E1019-R1094 IonicContact OE1-NH1 3.49Å; E1019-R1094 PolarHBondContact OE1-NH1 2.88Å; E1019-R1094 IonicContact OE1-NH2 3.82Å; E1019-R1094 IonicContact OE2-CZ 3.57Å; E1019-R1094 IonicContact OE2-NH1 2.84Å; E1019-R1094 PolarHBondContact OE2-NH1 2.82Å; E1019-R1094 IonicContact OE2-NH2 2.71Å; E1019-R1094 PolarHBondContact OE2-NH2 3.46Å
1020	V	87	Confident	83	Confident	10 Å²	10	28.5 Å²	28.5	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-77.4	-37.1	177.1	-165.8	0	0	0	0	110.4	M1016 A1017 P1018 R1023 Y1026 V1030	M1016-V1020 HydrophobicContact CE-CB 3.89Å; M1016-V1020 HydrophobicContact CE-CG1 3.33Å; A1017-V1020 HydrophobicContact CB-CG2 4.28Å; A1017-V1020 WeakPolarHBondContact O-CB 3.11Å; A1017-V1020 PolarHBondContact O-N 3.49Å; P1018-V1020 VanDerWaalsContact C-N 3.28Å; P1018-V1020 PolarHBondContact O-N 3.45Å; V1020-R1023 PolarHBondContact O-N 3.46Å; V1020-Y1026 HydrophobicContact CB-CD1 4.41Å; V1020-Y1026 HydrophobicContact CG1-CD1 4.03Å; V1020-Y1026 HydrophobicContact CG1-CE1 3.98Å; V1020-Y1026 HydrophobicContact CG2-CD1 3.99Å; V1020-Y1026 HydrophobicContact CG2-CG 4.04Å; V1020-V1030 HydrophobicContact CG2-CB 4.31Å; V1020-V1030 HydrophobicContact CG2-CG1 3.54Å
1021	V	83.4	Confident	85	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-48.8	171.8	-173.5	0	0	0	0	110.6	N152 V153 L156 A1017 P1018 R1023 L1058 I1061	N152-V1021 WeakPolarHBondContact CB-O 3.36Å; V153-V1021 HydrophobicContact CG2-CG1 3.86Å; L156-V1021 HydrophobicContact CD1-CG1 4.25Å; L156-V1021 WeakPolarHBondContact CD1-O 3.2Å; A1017-V1021 PolarHBondContact O-N 3.36Å; P1018-V1021 PolarHBondContact O-N 2.98Å; V1021-R1023 PolarHBondContact O-N 2.83Å; V1021-L1058 WeakPolarHBondContact CG1-O 3.33Å; V1021-L1058 HydrophobicContact CG2-CD2 3.97Å; V1021-I1061 HydrophobicContact CG2-CG2 3.88Å
1022	T	80.2	Confident	86.9	Confident	39 Å²	39	26.3 Å²	26.3	24%	0.239	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	10.3	-179.7	56.8	0	0	0	0	114.2	P1018 E1019 K1024	P1018-T1022 WeakPolarHBondContact O-CB 3.14Å; P1018-T1022 WeakPolarHBondContact O-CG2 3.46Å; P1018-T1022 PolarHBondContact O-N 3.09Å; P1018-T1022 PolarHBondContact O-OG1 3.25Å; E1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; T1022-K1024 PolarHBondContact O-N 2.89Å
1023	R	67.4	Low	87.9	Confident	69 Å²	69	24.8 Å²	24.8	26%	0.26	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	18.2	176.2	-60.3	-165.7	168.2	-157.7	-23.6	115.9	N152 N155 L156 E1019 V1020 V1021	N152-R1023 HydrophobicContact CB-CG 4.36Å; N152-R1023 WeakPolarHBondContact OD1-CD 3.41Å; N152-R1023 WeakPolarHBondContact OD1-CG 3.17Å; N155-R1023 VanDerWaalsContact CB-CZ 3.43Å; N155-R1023 VanDerWaalsContact CB-NH2 3.26Å; N155-R1023 PolarHBondContact O-NH2 3.31Å; L156-R1023 HydrophobicContact CD2-CG 4.39Å; L156-R1023 VanDerWaalsContact N-NH2 3.19Å; E1019-R1023 PolarHBondContact O-N 3.48Å; V1020-R1023 PolarHBondContact O-N 3.46Å; V1021-R1023 PolarHBondContact O-N 2.83Å
1024	K	65.6	Low	88.5	Confident	142 Å²	142	24.4 Å²	24.4	62%	0.617	12%	0.117	S	C	*	.			trans	-63.8	144.1	169.9	-65.6	175.6	-177.1	174.6	0	108.1	E1019 T1022 Y1026	E1019-K1024 HydrophobicContact CB-CB 4.17Å; E1019-K1024 PolarHBondContact O-N 2.95Å; T1022-K1024 PolarHBondContact O-N 2.89Å; K1024-Y1026 PolarHBondContact O-N 3.41Å
1025	Q	73.9	Confident	88.8	Confident	80 Å²	80	23 Å²	23	37%	0.374	11%	0.112	S	C	.	.			trans	-66.7	110.4	178.8	-164.1	90.2	6.8	0	0	107.8	K1005 R1006 S1007	K1005-Q1025 HydrophobicContact CB-CB 4.15Å; K1005-Q1025 HydrophobicContact CB-CG 3.43Å; K1005-Q1025 VanDerWaalsContact CB-CG 3.43Å; K1005-Q1025 WeakPolarHBondContact CD-O 3.22Å; K1005-Q1025 PolarHBondContact O-NE2 2.79Å; R1006-Q1025 CarbonylContact O-C 3.55Å; R1006-Q1025 VanDerWaalsContact O-CA 3.27Å; R1006-Q1025 WeakPolarHBondContact O-CA 3.24Å; S1007-Q1025 PolarHBondContact OG-OE1 3.43Å
1026	Y	81.3	Confident	88.9	Confident	6 Å²	6	22.7 Å²	22.7	2%	0.024	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-95.7	149.1	-166.8	65.6	-102.1	0	0	0	112.9	I971 R973 K1005 R1006 T1008 V1020 K1024 V1030	I971-Y1026 HydrophobicContact CD1-CD2 4.44Å; I971-Y1026 HydrophobicContact CD1-CE2 4.39Å; R973-Y1026 VanDerWaalsContact CD-OH 3.24Å; R973-Y1026 WeakPolarHBondContact CD-OH 3.46Å; R973-Y1026 HydrophobicContact CG-CE2 4.33Å; R973-Y1026 PolarHBondContact NH1-OH 3.35Å; K1005-Y1026 CarbonylContact C-O 3.57Å; K1005-Y1026 WeakPolarHBondContact CA-O 3.35Å; K1005-Y1026 WeakPolarHBondContact CB-O 3.23Å; R1006-Y1026 HydrophobicContact CB-CD2 4.45Å; R1006-Y1026 HydrophobicContact CB-CE1 4.2Å; R1006-Y1026 HydrophobicContact CB-CE2 3.82Å; R1006-Y1026 PolarHBondContact N-O 3.14Å; R1006-Y1026 WeakPolarHBondContact O-CD1 3.45Å; R1006-Y1026 WeakPolarHBondContact O-CE1 3.29Å; R1006-Y1026 PolarHBondContact O-N 3.09Å; T1008-Y1026 WeakPolarHBondContact O-CE1 3.24Å; T1008-Y1026 PolarHBondContact O-OH 2.98Å; V1020-Y1026 HydrophobicContact CB-CD1 4.41Å; V1020-Y1026 HydrophobicContact CG1-CD1 4.03Å; V1020-Y1026 HydrophobicContact CG1-CE1 3.98Å; V1020-Y1026 HydrophobicContact CG2-CD1 3.99Å; V1020-Y1026 HydrophobicContact CG2-CG 4.04Å; K1024-Y1026 PolarHBondContact O-N 3.41Å; Y1026-V1030 HydrophobicContact CD2-CG1 3.78Å; Y1026-V1030 HydrophobicContact CD2-CG2 4.14Å; Y1026-V1030 HydrophobicContact CG-CG1 3.94Å
1027	G	89.2	Confident	89.3	Confident	8 Å²	8	22.5 Å²	22.5	8%	0.082	11%	0.11	C	C	.	.			trans	-112.6	-168.2	178.8	0	0	0	0	0	113.1	K1029 V1030	G1027-K1029 PolarHBondContact O-N 3.18Å; G1027-K1029 VanDerWaalsContact O-N 3.14Å; G1027-V1030 PolarHBondContact O-N 2.77Å
1028	P	93	Very high	89.5	Confident	34 Å²	34	22.5 Å²	22.5	22%	0.221	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26	-176.5	-23.8	32.7	0	0	0	115.4	H966 I971 L999 V1030 D1031	H966-P1028 HydrophobicContact CB-CB 4.17Å; H966-P1028 PolarHBondContact CE1-O 2.92Å; H966-P1028 WeakPolarHBondContact ND1-CB 3.29Å; H966-P1028 PolarHBondContact NE2-O 3.46Å; I971-P1028 HydrophobicContact CD1-CG 4.38Å; I971-P1028 HydrophobicContact CG1-CB 4.21Å; I971-P1028 HydrophobicContact CG1-CG 4.06Å; L999-P1028 HydrophobicContact CD1-CG 4.08Å; P1028-V1030 PolarHBondContact O-N 3.05Å; P1028-D1031 PolarHBondContact O-N 2.87Å
1029	K	96.1	Very high	89.7	Confident	47 Å²	47	22.1 Å²	22.1	20%	0.204	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-4.9	178.6	-67	-176.5	179.9	-170.9	0	115.3	G1027 D1031 I1032 W1033 V1091 D1092 R1094	G1027-K1029 PolarHBondContact O-N 3.18Å; G1027-K1029 VanDerWaalsContact O-N 3.14Å; K1029-D1031 VanDerWaalsContact C-N 3.33Å; K1029-I1032 PolarHBondContact O-N 2.93Å; K1029-W1033 PolarHBondContact O-N 2.68Å; K1029-V1091 HydrophobicContact CB-CG1 4.26Å; K1029-V1091 HydrophobicContact CD-CG1 4.29Å; K1029-V1091 WeakPolarHBondContact CD-O 3.1Å; K1029-V1091 WeakPolarHBondContact CE-O 3.36Å; K1029-V1091 PolarHBondContact NZ-O 3.47Å; K1029-D1092 PolarHBondContact NZ-O 2.82Å; K1029-R1094 HydrophobicContact CD-CB 4.46Å; K1029-R1094 WeakPolarHBondContact CD-O 3.45Å; K1029-R1094 WeakPolarHBondContact CE-O 3.35Å; K1029-R1094 PolarHBondContact NZ-O 2.82Å; K1029-R1094 PolarHBondContact O-NH1 3.26Å
1030	V	94.7	Very high	90	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-37.9	167.1	-60.9	0	0	0	0	111.7	I971 A1017 E1019 V1020 Y1026 G1027 P1028 I1032 W1033 S1034	I971-V1030 HydrophobicContact CG2-CG2 3.59Å; A1017-V1030 HydrophobicContact CB-CB 4.35Å; A1017-V1030 HydrophobicContact CB-CG1 4.24Å; E1019-V1030 HydrophobicContact CG-CG1 4.22Å; E1019-V1030 WeakPolarHBondContact OE1-CG1 3.5Å; V1020-V1030 HydrophobicContact CG2-CB 4.31Å; V1020-V1030 HydrophobicContact CG2-CG1 3.54Å; Y1026-V1030 HydrophobicContact CD2-CG1 3.78Å; Y1026-V1030 HydrophobicContact CD2-CG2 4.14Å; Y1026-V1030 HydrophobicContact CG-CG1 3.94Å; G1027-V1030 PolarHBondContact O-N 2.77Å; P1028-V1030 PolarHBondContact O-N 3.05Å; V1030-I1032 PolarHBondContact O-N 2.83Å; V1030-W1033 WeakPolarHBondContact O-CB 3.25Å; V1030-W1033 PolarHBondContact O-N 2.86Å; V1030-S1034 PolarHBondContact O-N 2.74Å; V1030-S1034 PolarHBondContact O-OG 2.82Å
1031	D	96.7	Very high	90.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-27.6	179.5	-63	-24.8	0	0	0	111.5	L962 H966 I971 H972 R973 I975 P1028 K1029 L1035	L962-D1031 HydrophobicContact CD1-CB 4.07Å; L962-D1031 HydrophobicContact CD2-CB 3.67Å; H966-D1031 IonicContact CD2-OD2 2.77Å; H966-D1031 IonicContact CE1-OD2 3.25Å; H966-D1031 IonicContact NE2-OD2 2.9Å; H966-D1031 PolarHBondContact NE2-OD2 3.32Å; I971-D1031 WeakPolarHBondContact CG2-OD1 3.45Å; I971-D1031 VanDerWaalsContact CG2-OD2 3.22Å; I971-D1031 WeakPolarHBondContact CG2-OD2 3.48Å; H972-D1031 PolarHBondContact N-OD1 3.33Å; H972-D1031 PolarHBondContact N-OD2 2.89Å; R973-D1031 PolarHBondContact N-OD1 2.81Å; I975-D1031 HydrophobicContact CG1-CB 4.01Å; P1028-D1031 PolarHBondContact O-N 2.87Å; K1029-D1031 VanDerWaalsContact C-N 3.33Å; D1031-L1035 WeakPolarHBondContact O-CB 3.39Å; D1031-L1035 PolarHBondContact O-N 3.17Å
1032	I	98.3	Very high	91	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73.4	-37.7	176.9	-55.9	-57.7	0	0	0	111.6	L959 L962 K1029 V1030 L1035 G1036 C1086 R1094 A1097 L1100	L959-I1032 HydrophobicContact CD2-CD1 4.22Å; L962-I1032 HydrophobicContact CD1-CD1 4.17Å; K1029-I1032 PolarHBondContact O-N 2.93Å; V1030-I1032 PolarHBondContact O-N 2.83Å; I1032-L1035 PolarHBondContact O-N 3.04Å; I1032-G1036 PolarHBondContact O-N 2.62Å; I1032-C1086 HydrophobicContact CG2-CB 4.31Å; I1032-R1094 HydrophobicContact CG2-CG 4.42Å; I1032-A1097 HydrophobicContact CD1-CB 4.03Å; I1032-L1100 HydrophobicContact CD1-CD1 4.31Å; I1032-L1100 HydrophobicContact CG2-CD1 3.41Å; I1032-L1100 VanDerWaalsContact CG2-CD1 3.41Å
1033	W	97.8	Very high	91.7	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-49.7	170.5	178.6	-81.1	0	0	0	110.6	M1016 A1017 P1018 K1029 V1030 L1035 G1036 I1037 G1065 L1087 V1089	M1016-W1033 PolarHBondContact O-NE1 2.91Å; M1016-W1033 VanDerWaalsContact O-NE1 3.15Å; A1017-W1033 VanDerWaalsContact CA-CD1 3.5Å; A1017-W1033 HydrophobicContact CB-CB 3.67Å; A1017-W1033 HydrophobicContact CB-CD2 4.09Å; A1017-W1033 HydrophobicContact CB-CG 3.57Å; P1018-W1033 VanDerWaalsContact CD-CZ2 3.46Å; P1018-W1033 HydrophobicContact CG-CH2 3.58Å; P1018-W1033 HydrophobicContact CG-CZ2 3.72Å; P1018-W1033 HydrophobicContact CG-CZ3 4.1Å; K1029-W1033 PolarHBondContact O-N 2.68Å; V1030-W1033 WeakPolarHBondContact O-CB 3.25Å; V1030-W1033 PolarHBondContact O-N 2.86Å; W1033-L1035 VanDerWaalsContact C-N 3.28Å; W1033-L1035 PolarHBondContact O-N 2.9Å; W1033-G1036 CarbonylContact O-C 3.41Å; W1033-G1036 WeakPolarHBondContact O-CA 3.5Å; W1033-G1036 PolarHBondContact O-N 3.03Å; W1033-I1037 PolarHBondContact O-N 2.78Å; W1033-G1065 VanDerWaalsContact CH2-O 3.27Å; W1033-G1065 WeakPolarHBondContact CH2-O 3.37Å; W1033-G1065 WeakPolarHBondContact CZ2-O 3.38Å; W1033-L1087 HydrophobicContact CD2-CD2 3.85Å; W1033-L1087 HydrophobicContact CE3-CB 4.48Å; W1033-L1087 HydrophobicContact CE3-CD2 4.13Å; W1033-L1087 HydrophobicContact CG-CD2 4.23Å; W1033-L1087 HydrophobicContact CZ2-CD2 4.3Å; W1033-L1087 VanDerWaalsContact CZ3-C 3.5Å; W1033-L1087 HydrophobicContact CZ3-CB 4.32Å; W1033-L1087 HydrophobicContact CZ3-CD2 4.5Å; W1033-L1087 WeakPolarHBondContact CZ3-O 3.36Å; W1033-V1089 HydrophobicContact CH2-CG2 4.43Å; W1033-V1089 HydrophobicContact CZ3-CG2 4.36Å
1034	S	97.7	Very high	92.8	Very high	9 Å²	9	19.1 Å²	19.1	6%	0.063	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-36	178.5	-57.4	0	0	0	0	112.5	I975 W1015 V1030 I1037 M1038	I975-S1034 WeakPolarHBondContact O-CB 3.48Å; W1015-S1034 WeakPolarHBondContact O-CA 3.44Å; W1015-S1034 WeakPolarHBondContact O-CB 3.45Å; W1015-S1034 PolarHBondContact O-OG 3.22Å; V1030-S1034 PolarHBondContact O-N 2.74Å; V1030-S1034 PolarHBondContact O-OG 2.82Å; S1034-I1037 PolarHBondContact O-N 2.81Å; S1034-M1038 WeakPolarHBondContact O-CB 3.22Å; S1034-M1038 PolarHBondContact O-N 2.99Å
1035	L	98.4	Very high	94.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-41	169	179.1	72.5	0	0	0	112.1	C958 L959 L962 I975 D1031 I1032 W1033 M1038 A1039 F1082	C958-L1035 HydrophobicContact CB-CD1 3.83Å; L959-L1035 HydrophobicContact CD1-CD2 4.28Å; L959-L1035 HydrophobicContact CD2-CD2 3.46Å; L959-L1035 VanDerWaalsContact CD2-CD2 3.46Å; L959-L1035 HydrophobicContact CG-CD2 3.61Å; L962-L1035 HydrophobicContact CD1-CD2 4.47Å; I975-L1035 HydrophobicContact CG2-CB 4.46Å; D1031-L1035 WeakPolarHBondContact O-CB 3.39Å; D1031-L1035 PolarHBondContact O-N 3.17Å; I1032-L1035 PolarHBondContact O-N 3.04Å; W1033-L1035 VanDerWaalsContact C-N 3.28Å; W1033-L1035 PolarHBondContact O-N 2.9Å; L1035-M1038 HydrophobicContact CD1-CE 3.9Å; L1035-M1038 CarbonylContact O-C 3.56Å; L1035-M1038 PolarHBondContact O-N 3.18Å; L1035-A1039 WeakPolarHBondContact O-CB 3.34Å; L1035-A1039 PolarHBondContact O-N 3.31Å; L1035-F1082 HydrophobicContact CD2-CZ 4.49Å
1036	G	98.3	Very high	94.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-40.4	174.1	0	0	0	0	0	112.7	I1032 W1033 A1039 I1040	I1032-G1036 PolarHBondContact O-N 2.62Å; W1033-G1036 CarbonylContact O-C 3.41Å; W1033-G1036 WeakPolarHBondContact O-CA 3.5Å; W1033-G1036 PolarHBondContact O-N 3.03Å; G1036-A1039 PolarHBondContact O-N 3.29Å; G1036-I1040 PolarHBondContact O-N 2.92Å
1037	I	97.9	Very high	95.6	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-41.8	173.2	-59.4	-60.6	0	0	0	111.1	W1015 W1033 S1034 A1039 I1040 E1041 P1047 P1048 P1067 L1087	W1015-I1037 HydrophobicContact CB-CB 4.44Å; W1015-I1037 HydrophobicContact CB-CG2 4.32Å; W1015-I1037 VanDerWaalsContact CD1-CG2 3.47Å; W1015-I1037 HydrophobicContact CG-CB 4.32Å; W1015-I1037 HydrophobicContact CG-CG2 3.86Å; W1033-I1037 PolarHBondContact O-N 2.78Å; S1034-I1037 PolarHBondContact O-N 2.81Å; I1037-A1039 PolarHBondContact O-N 3.1Å; I1037-I1040 WeakPolarHBondContact O-CB 3.12Å; I1037-I1040 PolarHBondContact O-N 2.83Å; I1037-I1040 VanDerWaalsContact O-N 3.16Å; I1037-E1041 WeakPolarHBondContact O-CB 3.35Å; I1037-E1041 PolarHBondContact O-N 2.95Å; I1037-P1047 HydrophobicContact CG2-CB 3.58Å; I1037-P1048 HydrophobicContact CD1-CG 4.32Å; I1037-P1067 HydrophobicContact CD1-CG 3.88Å; I1037-L1087 HydrophobicContact CD1-CD2 3.74Å; I1037-L1087 HydrophobicContact CG1-CD2 4.06Å
1038	M	97.7	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-24.5	174.5	-164.5	-170.5	84.9	0	0	112.7	L937 V954 I975 I980 S1034 L1035 E1041 M1042	L937-M1038 HydrophobicContact CD2-CE 3.93Å; L937-M1038 HydrophobicContact CD2-CG 4.29Å; L937-M1038 HydrophobicContact CD2-SD 4.09Å; V954-M1038 HydrophobicContact CG1-CE 4.27Å; I975-M1038 HydrophobicContact CG2-SD 4.3Å; I980-M1038 HydrophobicContact CD1-SD 4.4Å; I980-M1038 HydrophobicContact CG1-CE 4.1Å; I980-M1038 HydrophobicContact CG1-SD 3.59Å; I980-M1038 VanDerWaalsContact CG1-SD 3.59Å; S1034-M1038 WeakPolarHBondContact O-CB 3.22Å; S1034-M1038 PolarHBondContact O-N 2.99Å; L1035-M1038 HydrophobicContact CD1-CE 3.9Å; L1035-M1038 CarbonylContact O-C 3.56Å; L1035-M1038 PolarHBondContact O-N 3.18Å; M1038-E1041 WeakPolarHBondContact O-CB 3.41Å; M1038-M1042 HydrophobicContact CE-CE 3.89Å; M1038-M1042 WeakPolarHBondContact O-CE 3.39Å; M1038-M1042 PolarHBondContact O-N 3.14Å; M1038-M1042 VanDerWaalsContact O-N 3.13Å
1039	A	98.1	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-77.7	-33	172	0	0	0	0	0	112.5	L1035 G1036 I1037 E1041 M1042 I1043 F1079 L1083	L1035-A1039 WeakPolarHBondContact O-CB 3.34Å; L1035-A1039 PolarHBondContact O-N 3.31Å; G1036-A1039 PolarHBondContact O-N 3.29Å; I1037-A1039 PolarHBondContact O-N 3.1Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; A1039-M1042 HydrophobicContact CB-CE 4.47Å; A1039-M1042 PolarHBondContact O-N 2.78Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.27Å; A1039-F1079 HydrophobicContact CB-CE2 4.43Å; A1039-L1083 HydrophobicContact CB-CD2 3.58Å
1040	I	96.5	Very high	95.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-63.4	-43.5	164.9	-66.7	173.7	0	0	0	110	G1036 I1037 M1042 I1043 D1044 P1048 P1067 I1069 L1083 L1087	G1036-I1040 PolarHBondContact O-N 2.92Å; I1037-I1040 WeakPolarHBondContact O-CB 3.12Å; I1037-I1040 PolarHBondContact O-N 2.83Å; I1037-I1040 VanDerWaalsContact O-N 3.16Å; I1040-M1042 VanDerWaalsContact C-N 3.26Å; I1040-M1042 PolarHBondContact O-N 2.84Å; I1040-I1043 CarbonylContact O-C 3.53Å; I1040-I1043 WeakPolarHBondContact O-CA 3.47Å; I1040-I1043 WeakPolarHBondContact O-CB 3.15Å; I1040-I1043 PolarHBondContact O-N 3.47Å; I1040-D1044 HydrophobicContact CG2-CB 4.24Å; I1040-D1044 PolarHBondContact O-N 3.48Å; I1040-P1048 HydrophobicContact CD1-CG 4.12Å; I1040-P1048 HydrophobicContact CG2-CG 4.12Å; I1040-P1067 HydrophobicContact CD1-CB 4.5Å; I1040-P1067 HydrophobicContact CD1-CG 3.75Å; I1040-I1069 HydrophobicContact CD1-CG1 3.9Å; I1040-I1069 HydrophobicContact CG1-CG1 4.2Å; I1040-L1083 HydrophobicContact CG1-CD2 4.48Å; I1040-L1087 HydrophobicContact CD1-CD1 3.6Å; I1040-L1087 HydrophobicContact CG1-CD1 4.34Å
1041	E	95.5	Very high	95.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-33.4	178.4	-168.6	-178.2	-176.7	0	0	113	V941 S977 W1015 I1037 M1038 A1039 I1043 G1045	V941-E1041 HydrophobicContact CG2-CG 4.23Å; S977-E1041 WeakPolarHBondContact CB-OE1 3.45Å; S977-E1041 VanDerWaalsContact OG-CD 3.29Å; S977-E1041 PolarHBondContact OG-OE1 3.07Å; S977-E1041 PolarHBondContact OG-OE2 2.92Å; W1015-E1041 WeakPolarHBondContact CZ2-OE2 3.24Å; W1015-E1041 PolarHBondContact NE1-OE2 3.41Å; I1037-E1041 WeakPolarHBondContact O-CB 3.35Å; I1037-E1041 PolarHBondContact O-N 2.95Å; M1038-E1041 WeakPolarHBondContact O-CB 3.41Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; E1041-I1043 VanDerWaalsContact C-N 3.28Å; E1041-I1043 PolarHBondContact O-N 3Å; E1041-G1045 WeakPolarHBondContact O-CA 3.25Å; E1041-G1045 PolarHBondContact O-N 3.44Å
1042	M	96.8	Very high	94.9	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.034	9%	0.094	C	C	.	.	H	α-helix	trans	-72.9	-12.9	172.4	-74.3	-176.3	-83.7	0	0	114.8	L937 V941 M946 I951 V954 M1038 A1039 I1040	L937-M1042 HydrophobicContact CD1-SD 4.39Å; L937-M1042 HydrophobicContact CD2-CG 4.31Å; L937-M1042 HydrophobicContact CD2-SD 4.07Å; V941-M1042 HydrophobicContact CG1-CB 4.29Å; V941-M1042 HydrophobicContact CG1-CG 3.67Å; M946-M1042 HydrophobicContact CE-CG 4.41Å; M946-M1042 HydrophobicContact CE-SD 3.75Å; M946-M1042 HydrophobicContact SD-CB 4.19Å; M946-M1042 HydrophobicContact SD-CG 3.8Å; M946-M1042 HydrophobicContact SD-SD 3.93Å; I951-M1042 HydrophobicContact CB-SD 4.49Å; I951-M1042 HydrophobicContact CD1-CB 3.95Å; I951-M1042 HydrophobicContact CG1-CB 3.92Å; I951-M1042 HydrophobicContact CG1-SD 4.42Å; I951-M1042 HydrophobicContact CG2-CB 4.25Å; I951-M1042 HydrophobicContact CG2-CE 3.97Å; I951-M1042 HydrophobicContact CG2-SD 4.13Å; V954-M1042 HydrophobicContact CB-CE 4.37Å; V954-M1042 HydrophobicContact CB-SD 3.91Å; V954-M1042 HydrophobicContact CG1-CE 4.02Å; V954-M1042 HydrophobicContact CG1-SD 3.8Å; V954-M1042 HydrophobicContact CG2-SD 4.42Å; M1038-M1042 HydrophobicContact CE-CE 3.89Å; M1038-M1042 WeakPolarHBondContact O-CE 3.39Å; M1038-M1042 PolarHBondContact O-N 3.14Å; M1038-M1042 VanDerWaalsContact O-N 3.13Å; A1039-M1042 HydrophobicContact CB-CE 4.47Å; A1039-M1042 PolarHBondContact O-N 2.78Å; I1040-M1042 VanDerWaalsContact C-N 3.26Å; I1040-M1042 PolarHBondContact O-N 2.84Å
1043	I	94.4	Very high	94.4	Very high	34 Å²	34	21.1 Å²	21.1	17%	0.174	11%	0.108	C	C	.	.	H	α-helix	trans	-96.4	-56.1	172.5	-56.5	160.1	0	0	0	109.5	R586 I951 A1039 I1040 E1041 L1075 F1079 L1083	R586-I1043 PolarHBondContact NH2-O 3.44Å; I951-I1043 HydrophobicContact CD1-CG1 4.15Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.27Å; I1040-I1043 CarbonylContact O-C 3.53Å; I1040-I1043 WeakPolarHBondContact O-CA 3.47Å; I1040-I1043 WeakPolarHBondContact O-CB 3.15Å; I1040-I1043 PolarHBondContact O-N 3.47Å; E1041-I1043 VanDerWaalsContact C-N 3.28Å; E1041-I1043 PolarHBondContact O-N 3Å; I1043-L1075 HydrophobicContact CD1-CD1 3.85Å; I1043-L1075 HydrophobicContact CD1-CD2 4.16Å; I1043-L1075 HydrophobicContact CG1-CD2 4.48Å; I1043-L1075 HydrophobicContact CG2-CD2 4.44Å; I1043-F1079 HydrophobicContact CD1-CE1 3.59Å; I1043-F1079 HydrophobicContact CD1-CZ 3.66Å; I1043-F1079 HydrophobicContact CG1-CE1 3.85Å; I1043-F1079 HydrophobicContact CG1-CZ 4.02Å; I1043-L1083 HydrophobicContact CD1-CD1 4.13Å
1044	D	91.6	Very high	93.9	Very high	19 Å²	19	23.4 Å²	23.4	10%	0.102	12%	0.123	C	C	.	.	H	α-helix	trans	-91.6	-5.1	-168.4	-83.5	-19	0	0	0	114	R586 I1040 E1046 K1070	R586-D1044 VanDerWaalsContact CZ-C 3.45Å; R586-D1044 PolarHBondContact NH1-O 3.17Å; R586-D1044 PolarHBondContact NH2-O 3.38Å; I1040-D1044 HydrophobicContact CG2-CB 4.24Å; I1040-D1044 PolarHBondContact O-N 3.48Å; D1044-E1046 PolarHBondContact O-N 3.27Å; D1044-E1046 VanDerWaalsContact O-N 3.16Å; D1044-K1070 WeakPolarHBondContact OD2-CD 3.19Å; D1044-K1070 WeakPolarHBondContact OD2-CG 3.34Å; D1044-K1070 IonicContact OD2-NZ 3.89Å
1045	G	91.4	Very high	93.5	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	68.9	0.9	179	0	0	0	0	0	114.5	S592 E1041	S592-G1045 WeakPolarHBondContact CB-O 3.49Å; E1041-G1045 WeakPolarHBondContact O-CA 3.25Å; E1041-G1045 PolarHBondContact O-N 3.44Å
1046	E	92.3	Very high	93.2	Very high	48 Å²	48	25.6 Å²	25.6	22%	0.224	13%	0.131	C	C	.	.	S	Bend	trans	-152.2	149.4	-179.3	64.9	-173.5	178.1	0	0	109.1	D1044 L1050 K1070	D1044-E1046 PolarHBondContact O-N 3.27Å; D1044-E1046 VanDerWaalsContact O-N 3.16Å; E1046-L1050 HydrophobicContact CB-CB 4.37Å; E1046-L1050 HydrophobicContact CB-CD2 3.81Å; E1046-K1070 IonicContact OE1-NZ 2.7Å; E1046-K1070 PolarHBondContact OE1-NZ 3.48Å
1047	P	94.3	Very high	92.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.131	C	C	.	.			trans	-71.8	156.6	166.9	32.4	-36.5	0	0	0	111	Y594 W1015 I1037 L1050	Y594-P1047 VanDerWaalsContact OH-CD 3.24Å; Y594-P1047 WeakPolarHBondContact OH-CD 3.32Å; Y594-P1047 WeakPolarHBondContact OH-CG 3.16Å; W1015-P1047 HydrophobicContact CD2-CB 4.39Å; W1015-P1047 HydrophobicContact CD2-CG 4.47Å; W1015-P1047 HydrophobicContact CH2-CG 3.95Å; W1015-P1047 HydrophobicContact CZ2-CB 4.27Å; W1015-P1047 HydrophobicContact CZ2-CG 3.78Å; W1015-P1047 HydrophobicContact CZ3-CG 4.3Å; I1037-P1047 HydrophobicContact CG2-CB 3.58Å; P1047-L1050 HydrophobicContact CG-CB 4.26Å; P1047-L1050 HydrophobicContact CG-CD1 4.42Å; P1047-L1050 PolarHBondContact O-N 3.47Å
1048	P	93.7	Very high	92.5	Very high	20 Å²	20	25.4 Å²	25.4	13%	0.13	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	142.3	174.4	-26.4	36.3	0	0	0	112.8	I1037 I1040 L1050 P1067	I1037-P1048 HydrophobicContact CD1-CG 4.32Å; I1040-P1048 HydrophobicContact CD1-CG 4.12Å; I1040-P1048 HydrophobicContact CG2-CG 4.12Å; P1048-L1050 VanDerWaalsContact C-N 3.25Å; P1048-L1050 PolarHBondContact O-N 3.06Å; P1048-P1067 HydrophobicContact CB-CB 3.94Å; P1048-P1067 HydrophobicContact CG-CB 3.71Å; P1048-P1067 HydrophobicContact CG-CG 4.09Å
1049	Y	93.1	Very high	92.3	Very high	49 Å²	49	25.9 Å²	25.9	19%	0.192	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	16.5	179.2	-36.8	-70.6	0	0	0	115.5	Y1014 N1051 E1052 L1060 I1061 N1064	Y1014-Y1049 WeakPolarHBondContact CD1-O 3.23Å; Y1014-Y1049 WeakPolarHBondContact CE1-O 3.45Å; Y1049-N1051 PolarHBondContact O-N 3.2Å; Y1049-N1051 VanDerWaalsContact O-N 3.16Å; Y1049-E1052 WeakPolarHBondContact O-CB 3.45Å; Y1049-E1052 PolarHBondContact O-N 3.1Å; Y1049-L1060 HydrophobicContact CD1-CB 4.28Å; Y1049-L1060 HydrophobicContact CD1-CD1 3.68Å; Y1049-L1060 HydrophobicContact CE1-CB 4.05Å; Y1049-L1060 HydrophobicContact CE1-CD1 3.98Å; Y1049-L1060 HydrophobicContact CE2-CB 4.29Å; Y1049-L1060 HydrophobicContact CG-CD1 4.26Å; Y1049-I1061 HydrophobicContact CD2-CG1 4.08Å; Y1049-I1061 HydrophobicContact CE2-CG1 4.04Å; Y1049-N1064 PolarHBondContact OH-ND2 2.85Å
1050	L	90.2	Very high	92.1	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.099	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.2	178.5	-179.2	62.3	0	0	0	113.2	S592 I593 Y594 Y1014 E1046 P1047 P1048 E1052	S592-L1050 WeakPolarHBondContact OG-CD2 3.08Å; I593-L1050 HydrophobicContact CB-CD2 4.49Å; I593-L1050 HydrophobicContact CD1-CG 4.34Å; I593-L1050 HydrophobicContact CG1-CD2 4.35Å; Y594-L1050 HydrophobicContact CD2-CD2 4.46Å; Y594-L1050 HydrophobicContact CE1-CD1 3.86Å; Y594-L1050 HydrophobicContact CE1-CD2 4.1Å; Y594-L1050 HydrophobicContact CE2-CD2 3.83Å; Y594-L1050 VanDerWaalsContact OH-CD1 3.32Å; Y594-L1050 WeakPolarHBondContact OH-CD1 3.41Å; Y1014-L1050 HydrophobicContact CD2-CD1 4.16Å; Y1014-L1050 HydrophobicContact CE2-CD1 4.07Å; E1046-L1050 HydrophobicContact CB-CB 4.37Å; E1046-L1050 HydrophobicContact CB-CD2 3.81Å; P1047-L1050 HydrophobicContact CG-CB 4.26Å; P1047-L1050 HydrophobicContact CG-CD1 4.42Å; P1047-L1050 PolarHBondContact O-N 3.47Å; P1048-L1050 VanDerWaalsContact C-N 3.25Å; P1048-L1050 PolarHBondContact O-N 3.06Å; L1050-E1052 PolarHBondContact O-N 3.47Å
1051	N	88.4	Confident	91.9	Very high	114 Å²	114	27.1 Å²	27.1	61%	0.61	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-11	176.7	66.3	-59.1	0	0	0	114.1	I593 Y1049	I593-N1051 HydrophobicContact CD1-CB 4.27Å; Y1049-N1051 PolarHBondContact O-N 3.2Å; Y1049-N1051 VanDerWaalsContact O-N 3.16Å
1052	E	90	Very high	91.7	Very high	57 Å²	57	27.8 Å²	27.8	27%	0.266	15%	0.145	S	C	.	.	S	Bend	trans	-94.7	149.5	-178.6	-65.1	-81.2	-129.4	0	0	111.9	Y1014 Y1049 L1050 R1056 A1057 L1060	Y1014-E1052 PolarHBondContact OH-O 2.85Å; Y1049-E1052 WeakPolarHBondContact O-CB 3.45Å; Y1049-E1052 PolarHBondContact O-N 3.1Å; L1050-E1052 PolarHBondContact O-N 3.47Å; E1052-R1056 HydrophobicContact CB-CB 4.49Å; E1052-R1056 VanDerWaalsContact CD-CD 3.47Å; E1052-R1056 VanDerWaalsContact OE1-CD 3.28Å; E1052-R1056 WeakPolarHBondContact OE1-CD 3.22Å; E1052-R1056 IonicContact OE1-NE 3.5Å; E1052-R1056 PolarHBondContact OE1-NE 3.37Å; E1052-R1056 WeakPolarHBondContact OE2-CD 3.21Å; E1052-R1056 IonicContact OE2-NE 3.52Å; E1052-A1057 HydrophobicContact CB-CB 4.4Å; E1052-L1060 HydrophobicContact CG-CD1 4.21Å
1053	N	87.4	Confident	91.4	Very high	55 Å²	55	29.5 Å²	29.5	29%	0.294	16%	0.156	S	C	.	.			trans	-54.6	137.3	173.7	-177.4	-62.6	0	0	0	110.5	V1055 R1056 A1057	N1053-V1055 PolarHBondContact O-N 3.15Å; N1053-V1055 WeakPolarHBondContact OD1-CB 3.47Å; N1053-V1055 VanDerWaalsContact OD1-CG2 3.27Å; N1053-V1055 WeakPolarHBondContact OD1-CG2 3.36Å; N1053-V1055 PolarHBondContact OD1-N 3.33Å; N1053-R1056 HydrophobicContact CB-CB 4.27Å; N1053-R1056 CarbonylContact O-C 3.55Å; N1053-R1056 WeakPolarHBondContact O-CA 3.5Å; N1053-R1056 WeakPolarHBondContact O-CB 3.39Å; N1053-R1056 PolarHBondContact O-N 3.03Å; N1053-A1057 PolarHBondContact O-N 2.88Å
1054	P	88.3	Confident	91.3	Very high	52 Å²	52	32 Å²	32	34%	0.338	17%	0.17	S	C	.	.	H	α-helix	trans	-51.9	-31.6	-179.4	-30.3	35.3	0	0	0	115.8	P1013 L1058	P1013-P1054 HydrophobicContact CG-CB 4.39Å; P1054-L1058 WeakPolarHBondContact O-CB 3.35Å; P1054-L1058 WeakPolarHBondContact O-CD1 3.31Å; P1054-L1058 WeakPolarHBondContact O-CG 3.39Å; P1054-L1058 PolarHBondContact O-N 2.9Å; P1054-L1058 VanDerWaalsContact O-N 3.15Å
1055	V	89	Confident	91.3	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-47.8	172.4	-175.6	0	0	0	0	110.2	L133 A136 I138 V153 L157 N1053 L1058 Y1059	L133-V1055 HydrophobicContact CD2-CG1 4.34Å; A136-V1055 HydrophobicContact CB-CB 3.55Å; A136-V1055 HydrophobicContact CB-CG1 3.67Å; A136-V1055 HydrophobicContact CB-CG2 4.23Å; I138-V1055 HydrophobicContact CD1-CG1 3.85Å; V153-V1055 HydrophobicContact CG1-CG1 3.87Å; V153-V1055 WeakPolarHBondContact CG1-O 3.48Å; L157-V1055 HydrophobicContact CD1-CB 3.94Å; L157-V1055 HydrophobicContact CD1-CG1 4.33Å; L157-V1055 HydrophobicContact CD1-CG2 3.38Å; N1053-V1055 PolarHBondContact O-N 3.15Å; N1053-V1055 WeakPolarHBondContact OD1-CB 3.47Å; N1053-V1055 VanDerWaalsContact OD1-CG2 3.27Å; N1053-V1055 WeakPolarHBondContact OD1-CG2 3.36Å; N1053-V1055 PolarHBondContact OD1-N 3.33Å; V1055-L1058 PolarHBondContact O-N 2.87Å; V1055-Y1059 PolarHBondContact O-N 2.96Å
1056	R	91.9	Very high	91.3	Very high	46 Å²	46	34.8 Å²	34.8	17%	0.174	18%	0.182	C	C	.	.	H	α-helix	trans	-68.9	-43.9	-178.8	-167.2	179.1	-179	71.1	16	111.8	A136 G137 E142 E1052 N1053 L1058 Y1059 L1060	A136-R1056 HydrophobicContact CB-CB 4.33Å; A136-R1056 VanDerWaalsContact O-CD 3.3Å; A136-R1056 WeakPolarHBondContact O-CD 3.38Å; A136-R1056 PolarHBondContact O-NH1 2.92Å; G137-R1056 PolarHBondContact O-NH1 3.37Å; E142-R1056 IonicContact OE1-CZ 3.75Å; E142-R1056 IonicContact OE1-NH1 2.89Å; E142-R1056 PolarHBondContact OE1-NH1 2.85Å; E142-R1056 IonicContact OE1-NH2 2.95Å; E142-R1056 PolarHBondContact OE1-NH2 2.89Å; E142-R1056 IonicContact OE2-NH1 3.59Å; E1052-R1056 HydrophobicContact CB-CB 4.49Å; E1052-R1056 VanDerWaalsContact CD-CD 3.47Å; E1052-R1056 VanDerWaalsContact OE1-CD 3.28Å; E1052-R1056 WeakPolarHBondContact OE1-CD 3.22Å; E1052-R1056 IonicContact OE1-NE 3.5Å; E1052-R1056 PolarHBondContact OE1-NE 3.37Å; E1052-R1056 WeakPolarHBondContact OE2-CD 3.21Å; E1052-R1056 IonicContact OE2-NE 3.52Å; N1053-R1056 HydrophobicContact CB-CB 4.27Å; N1053-R1056 CarbonylContact O-C 3.55Å; N1053-R1056 WeakPolarHBondContact O-CA 3.5Å; N1053-R1056 WeakPolarHBondContact O-CB 3.39Å; N1053-R1056 PolarHBondContact O-N 3.03Å; R1056-L1058 VanDerWaalsContact C-N 3.34Å; R1056-L1058 PolarHBondContact O-N 2.97Å; R1056-Y1059 WeakPolarHBondContact O-CB 3.44Å; R1056-Y1059 PolarHBondContact O-N 3.42Å; R1056-Y1059 VanDerWaalsContact O-N 3.11Å; R1056-L1060 HydrophobicContact CG-CD1 4.15Å; R1056-L1060 HydrophobicContact CG-CG 4.47Å; R1056-L1060 WeakPolarHBondContact O-CG 3.09Å; R1056-L1060 PolarHBondContact O-N 3.3Å
1057	A	91.5	Very high	91.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-43.5	174.7	0	0	0	0	0	111.8	Y1014 E1052 N1053 Y1059 L1060 I1061	Y1014-A1057 HydrophobicContact CD1-CB 3.74Å; Y1014-A1057 HydrophobicContact CE1-CB 3.49Å; Y1014-A1057 VanDerWaalsContact CE1-CB 3.49Å; E1052-A1057 HydrophobicContact CB-CB 4.4Å; N1053-A1057 PolarHBondContact O-N 2.88Å; A1057-Y1059 PolarHBondContact O-N 3.35Å; A1057-L1060 PolarHBondContact O-N 2.88Å; A1057-I1061 WeakPolarHBondContact O-CB 3.43Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.3Å; A1057-I1061 VanDerWaalsContact O-CG1 3.23Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.38Å; A1057-I1061 PolarHBondContact O-N 2.74Å
1058	L	91.1	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-36.2	174.2	-71.9	169.9	0	0	0	112.5	V153 L157 M1009 P1013 M1016 V1021 P1054 V1055 R1056 G1062	V153-L1058 HydrophobicContact CG1-CB 3.95Å; V153-L1058 HydrophobicContact CG1-CD1 4.5Å; V153-L1058 HydrophobicContact CG2-CB 3.91Å; L157-L1058 HydrophobicContact CD1-CD1 4.3Å; L157-L1058 HydrophobicContact CD2-CD1 3.89Å; L157-L1058 HydrophobicContact CG-CD1 4.02Å; M1009-L1058 HydrophobicContact CE-CD1 4.04Å; M1009-L1058 HydrophobicContact CE-CD2 4.09Å; P1013-L1058 HydrophobicContact CB-CD1 4.47Å; P1013-L1058 HydrophobicContact CB-CD2 4.08Å; P1013-L1058 HydrophobicContact CB-CG 4.1Å; M1016-L1058 HydrophobicContact SD-CD2 4.08Å; V1021-L1058 WeakPolarHBondContact CG1-O 3.33Å; V1021-L1058 HydrophobicContact CG2-CD2 3.97Å; P1054-L1058 WeakPolarHBondContact O-CB 3.35Å; P1054-L1058 WeakPolarHBondContact O-CD1 3.31Å; P1054-L1058 WeakPolarHBondContact O-CG 3.39Å; P1054-L1058 PolarHBondContact O-N 2.9Å; P1054-L1058 VanDerWaalsContact O-N 3.15Å; V1055-L1058 PolarHBondContact O-N 2.87Å; R1056-L1058 VanDerWaalsContact C-N 3.34Å; R1056-L1058 PolarHBondContact O-N 2.97Å; L1058-G1062 PolarHBondContact O-N 2.81Å
1059	Y	92.6	Very high	90.8	Very high	11 Å²	11	40.9 Å²	40.9	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-52.8	172.1	174.5	-94.4	0	0	0	111.1	I138 E142 N146 V149 V150 V1055 R1056 A1057 I1061 G1062 T1063	I138-Y1059 HydrophobicContact CD1-CD2 4.5Å; I138-Y1059 HydrophobicContact CD1-CG 4.17Å; E142-Y1059 WeakPolarHBondContact CA-OH 3.35Å; E142-Y1059 HydrophobicContact CB-CE1 4.21Å; E142-Y1059 WeakPolarHBondContact CB-OH 3.36Å; E142-Y1059 HydrophobicContact CG-CE1 4.22Å; E142-Y1059 PolarHBondContact O-OH 2.84Å; N146-Y1059 HydrophobicContact CB-CE2 3.97Å; V149-Y1059 HydrophobicContact CG1-CD2 4.24Å; V150-Y1059 HydrophobicContact CG2-CD2 3.65Å; V150-Y1059 HydrophobicContact CG2-CE2 3.56Å; V1055-Y1059 PolarHBondContact O-N 2.96Å; R1056-Y1059 WeakPolarHBondContact O-CB 3.44Å; R1056-Y1059 PolarHBondContact O-N 3.42Å; R1056-Y1059 VanDerWaalsContact O-N 3.11Å; A1057-Y1059 PolarHBondContact O-N 3.35Å; Y1059-I1061 PolarHBondContact O-N 3.3Å; Y1059-G1062 CarbonylContact O-C 3.41Å; Y1059-G1062 WeakPolarHBondContact O-CA 3.47Å; Y1059-G1062 PolarHBondContact O-N 2.82Å; Y1059-T1063 HydrophobicContact CD1-CG2 4.31Å; Y1059-T1063 HydrophobicContact CD2-CG2 4.21Å; Y1059-T1063 HydrophobicContact CE1-CG2 3.92Å; Y1059-T1063 HydrophobicContact CE2-CG2 3.84Å; Y1059-T1063 HydrophobicContact CG-CG2 4.44Å; Y1059-T1063 PolarHBondContact O-N 2.93Å; Y1059-T1063 PolarHBondContact O-OG1 2.7Å
1060	L	93.2	Very high	90.4	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-40.8	-179.6	-66.8	169.1	0	0	0	112.6	Y1049 E1052 R1056 A1057 G1062 T1063 N1064	Y1049-L1060 HydrophobicContact CD1-CB 4.28Å; Y1049-L1060 HydrophobicContact CD1-CD1 3.68Å; Y1049-L1060 HydrophobicContact CE1-CB 4.05Å; Y1049-L1060 HydrophobicContact CE1-CD1 3.98Å; Y1049-L1060 HydrophobicContact CE2-CB 4.29Å; Y1049-L1060 HydrophobicContact CG-CD1 4.26Å; E1052-L1060 HydrophobicContact CG-CD1 4.21Å; R1056-L1060 HydrophobicContact CG-CD1 4.15Å; R1056-L1060 HydrophobicContact CG-CG 4.47Å; R1056-L1060 WeakPolarHBondContact O-CG 3.09Å; R1056-L1060 PolarHBondContact O-N 3.3Å; A1057-L1060 PolarHBondContact O-N 2.88Å; L1060-G1062 VanDerWaalsContact C-N 3.28Å; L1060-G1062 PolarHBondContact O-N 2.93Å; L1060-T1063 PolarHBondContact O-N 3.27Å; L1060-T1063 PolarHBondContact O-OG1 2.94Å; L1060-N1064 WeakPolarHBondContact O-CB 3.27Å; L1060-N1064 VanDerWaalsContact O-CG 3.24Å; L1060-N1064 PolarHBondContact O-N 3.48Å
1061	I	92.9	Very high	90.2	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-37.9	171.9	-70	165.5	0	0	0	111	P1013 M1016 P1018 V1021 Y1049 A1057 Y1059 G1065	P1013-I1061 WeakPolarHBondContact O-CD1 3.17Å; M1016-I1061 WeakPolarHBondContact O-CG2 3.33Å; P1018-I1061 HydrophobicContact CG-CG2 4.18Å; V1021-I1061 HydrophobicContact CG2-CG2 3.88Å; Y1049-I1061 HydrophobicContact CD2-CG1 4.08Å; Y1049-I1061 HydrophobicContact CE2-CG1 4.04Å; A1057-I1061 WeakPolarHBondContact O-CB 3.43Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.3Å; A1057-I1061 VanDerWaalsContact O-CG1 3.23Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.38Å; A1057-I1061 PolarHBondContact O-N 2.74Å; Y1059-I1061 PolarHBondContact O-N 3.3Å; I1061-G1065 PolarHBondContact O-N 3.04Å
1062	G	90.5	Very high	90.2	Very high	15 Å²	15	47.1 Å²	47.1	16%	0.155	23%	0.232	C	C	.	.	H	α-helix	trans	-73.3	-29	178.4	0	0	0	0	0	115	L1058 Y1059 L1060	L1058-G1062 PolarHBondContact O-N 2.81Å; Y1059-G1062 CarbonylContact O-C 3.41Å; Y1059-G1062 WeakPolarHBondContact O-CA 3.47Å; Y1059-G1062 PolarHBondContact O-N 2.82Å; L1060-G1062 VanDerWaalsContact C-N 3.28Å; L1060-G1062 PolarHBondContact O-N 2.93Å
1063	T	91.8	Very high	90.3	Very high	43 Å²	43	52.3 Å²	52.3	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-96.7	-44.8	-178.8	54.8	0	0	0	0	113.6	N146 V149 Y1059 L1060	N146-T1063 HydrophobicContact CB-CG2 3.91Å; V149-T1063 HydrophobicContact CG1-CG2 4.32Å; V149-T1063 HydrophobicContact CG2-CG2 4.48Å; Y1059-T1063 HydrophobicContact CD1-CG2 4.31Å; Y1059-T1063 HydrophobicContact CD2-CG2 4.21Å; Y1059-T1063 HydrophobicContact CE1-CG2 3.92Å; Y1059-T1063 HydrophobicContact CE2-CG2 3.84Å; Y1059-T1063 HydrophobicContact CG-CG2 4.44Å; Y1059-T1063 PolarHBondContact O-N 2.93Å; Y1059-T1063 PolarHBondContact O-OG1 2.7Å; L1060-T1063 PolarHBondContact O-N 3.27Å; L1060-T1063 PolarHBondContact O-OG1 2.94Å
1064	N	92.1	Very high	90.5	Very high	87 Å²	87	56.8 Å²	56.8	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-84.2	-27.6	-173	-53.1	-1.1	0	0	0	111	Y1049 L1060 K1066	Y1049-N1064 PolarHBondContact OH-ND2 2.85Å; L1060-N1064 WeakPolarHBondContact O-CB 3.27Å; L1060-N1064 VanDerWaalsContact O-CG 3.24Å; L1060-N1064 PolarHBondContact O-N 3.48Å; N1064-K1066 PolarHBondContact O-N 3.23Å; N1064-K1066 VanDerWaalsContact O-N 3.12Å
1065	G	90.6	Very high	90.8	Very high	7 Å²	7	55.7 Å²	55.7	7%	0.072	27%	0.269	C	S	.	.			trans	68.8	-105.4	-175.2	0	0	0	0	0	111.2	W1033 I1061	W1033-G1065 VanDerWaalsContact CH2-O 3.27Å; W1033-G1065 WeakPolarHBondContact CH2-O 3.37Å; W1033-G1065 WeakPolarHBondContact CZ2-O 3.38Å; I1061-G1065 PolarHBondContact O-N 3.04Å
1066	K	93.2	Very high	91.2	Very high	71 Å²	71	56.4 Å²	56.4	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	-70.2	124.8	-176.3	-178.6	176.7	176.6	-174.6	0	110	N1064 D1084 L1087 V1089	N1064-K1066 PolarHBondContact O-N 3.23Å; N1064-K1066 VanDerWaalsContact O-N 3.12Å; K1066-D1084 WeakPolarHBondContact CE-OD1 3.29Å; K1066-D1084 IonicContact NZ-OD1 2.74Å; K1066-D1084 PolarHBondContact NZ-OD1 3.41Å; K1066-D1084 IonicContact NZ-OD2 2.7Å; K1066-L1087 HydrophobicContact CG-CB 4.17Å; K1066-V1089 HydrophobicContact CB-CG2 4Å
1067	P	92.6	Very high	91.4	Very high	7 Å²	7	58 Å²	58	5%	0.045	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-70.1	151.2	178	30.8	-36	0	0	0	111.4	I1037 I1040 P1048 L1087	I1037-P1067 HydrophobicContact CD1-CG 3.88Å; I1040-P1067 HydrophobicContact CD1-CB 4.5Å; I1040-P1067 HydrophobicContact CD1-CG 3.75Å; P1048-P1067 HydrophobicContact CB-CB 3.94Å; P1048-P1067 HydrophobicContact CG-CB 3.71Å; P1048-P1067 HydrophobicContact CG-CG 4.09Å; P1067-L1087 HydrophobicContact CG-CD1 4.05Å
1068	E	88.1	Confident	91.7	Very high	182 Å²	182	60 Å²	60	85%	0.85	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-72.3	145.3	166.3	-170.2	170.1	-173	0	0	110
1069	I	88.6	Confident	92	Very high	9 Å²	9	60 Å²	60	5%	0.046	31%	0.307	C	S	.	.			trans	-111.1	122	-178.1	-62.7	159.4	0	0	0	107.4	I1040 L1075 L1083	I1040-I1069 HydrophobicContact CD1-CG1 3.9Å; I1040-I1069 HydrophobicContact CG1-CG1 4.2Å; I1069-L1075 HydrophobicContact CG2-CD1 3.79Å; I1069-L1083 HydrophobicContact CD1-CB 4.25Å; I1069-L1083 HydrophobicContact CD1-CD1 3.93Å
1070	K	85.1	Confident	92.2	Very high	102 Å²	102	60.8 Å²	60.8	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	141.2	179.1	-56.1	176.7	-158.4	158.3	0	109.5	D1044 E1046 R1072	D1044-K1070 WeakPolarHBondContact OD2-CD 3.19Å; D1044-K1070 WeakPolarHBondContact OD2-CG 3.34Å; D1044-K1070 IonicContact OD2-NZ 3.89Å; E1046-K1070 IonicContact OE1-NZ 2.7Å; E1046-K1070 PolarHBondContact OE1-NZ 3.48Å; K1070-R1072 PolarHBondContact O-N 2.87Å; K1070-R1072 VanDerWaalsContact O-N 3.13Å
1071	E	85	Confident	92.4	Very high	125 Å²	125	62.4 Å²	62.4	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.7	175.9	-48.3	-162.4	120.6	0	0	115.4	D1073 K1074	E1071-D1073 PolarHBondContact O-N 3.12Å; E1071-K1074 HydrophobicContact CB-CD 4.01Å; E1071-K1074 HydrophobicContact CB-CG 4.25Å; E1071-K1074 VanDerWaalsContact CD-CE 3.47Å; E1071-K1074 WeakPolarHBondContact O-CB 3.34Å; E1071-K1074 PolarHBondContact O-N 3.41Å; E1071-K1074 WeakPolarHBondContact OE1-CE 3.49Å; E1071-K1074 IonicContact OE1-NZ 2.66Å; E1071-K1074 PolarHBondContact OE1-NZ 3.28Å; E1071-K1074 WeakPolarHBondContact OE2-CD 3.44Å; E1071-K1074 WeakPolarHBondContact OE2-CE 3.44Å; E1071-K1074 IonicContact OE2-NZ 2.66Å; E1071-K1074 PolarHBondContact OE2-NZ 3.34Å
1072	R	89.5	Confident	92.7	Very high	86 Å²	86	62.1 Å²	62.1	33%	0.325	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-45.9	-34.9	-174.6	-168.6	177.8	162	101.2	-3.5	114.5	K1070 K1074 L1075 L1080 D1084	K1070-R1072 PolarHBondContact O-N 2.87Å; K1070-R1072 VanDerWaalsContact O-N 3.13Å; R1072-K1074 PolarHBondContact O-N 3.49Å; R1072-L1075 PolarHBondContact O-N 3.17Å; R1072-L1080 HydrophobicContact CG-CD1 4.06Å; R1072-L1080 HydrophobicContact CG-CD2 3.48Å; R1072-L1080 VanDerWaalsContact CG-CD2 3.48Å; R1072-L1080 HydrophobicContact CG-CG 4.44Å; R1072-D1084 IonicContact CZ-OD1 2.7Å; R1072-D1084 IonicContact CZ-OD2 2.79Å; R1072-D1084 IonicContact NH1-OD1 3.69Å; R1072-D1084 PolarHBondContact NH1-OD1 2.95Å; R1072-D1084 IonicContact NH1-OD2 3.6Å; R1072-D1084 IonicContact NH2-OD1 3.91Å; R1072-D1084 PolarHBondContact NH2-OD1 3.48Å; R1072-D1084 IonicContact NH2-OD2 2.76Å; R1072-D1084 PolarHBondContact NH2-OD2 3.02Å
1073	D	90.8	Very high	93	Very high	166 Å²	166	61.4 Å²	61.4	89%	0.888	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16	179.7	-54	-55.4	0	0	0	114.9	E1071	E1071-D1073 PolarHBondContact O-N 3.12Å
1074	K	92.3	Very high	93.3	Very high	149 Å²	149	61.3 Å²	61.3	65%	0.648	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-83.2	-16.3	175.1	-61.8	-173.5	-172.3	173.6	0	113.2	E1071 R1072	E1071-K1074 HydrophobicContact CB-CD 4.01Å; E1071-K1074 HydrophobicContact CB-CG 4.25Å; E1071-K1074 VanDerWaalsContact CD-CE 3.47Å; E1071-K1074 WeakPolarHBondContact O-CB 3.34Å; E1071-K1074 PolarHBondContact O-N 3.41Å; E1071-K1074 WeakPolarHBondContact OE1-CE 3.49Å; E1071-K1074 IonicContact OE1-NZ 2.66Å; E1071-K1074 PolarHBondContact OE1-NZ 3.28Å; E1071-K1074 WeakPolarHBondContact OE2-CD 3.44Å; E1071-K1074 WeakPolarHBondContact OE2-CE 3.44Å; E1071-K1074 IonicContact OE2-NZ 2.66Å; E1071-K1074 PolarHBondContact OE2-NZ 3.34Å; R1072-K1074 PolarHBondContact O-N 3.49Å
1075	L	94.8	Very high	93.6	Very high	28 Å²	28	62.7 Å²	62.7	15%	0.147	31%	0.308	C	S	.	.	S	Bend	trans	-87.6	145.3	-177.7	-54.1	177.3	0	0	0	110.3	I1043 I1069 R1072 F1079 L1080 L1083	I1043-L1075 HydrophobicContact CD1-CD1 3.85Å; I1043-L1075 HydrophobicContact CD1-CD2 4.16Å; I1043-L1075 HydrophobicContact CG1-CD2 4.48Å; I1043-L1075 HydrophobicContact CG2-CD2 4.44Å; I1069-L1075 HydrophobicContact CG2-CD1 3.79Å; R1072-L1075 PolarHBondContact O-N 3.17Å; L1075-F1079 HydrophobicContact CB-CD1 4.39Å; L1075-F1079 HydrophobicContact CD2-CD1 4.06Å; L1075-F1079 HydrophobicContact CD2-CE1 4.14Å; L1075-L1080 HydrophobicContact CB-CD2 3.74Å; L1075-L1080 HydrophobicContact CB-CG 4.02Å; L1075-L1080 HydrophobicContact CD1-CD2 3.79Å; L1075-L1080 HydrophobicContact CG-CD2 4.36Å; L1075-L1083 HydrophobicContact CD1-CD1 4.21Å
1076	S	96.8	Very high	93.9	Very high	23 Å²	23	62.3 Å²	62.3	16%	0.161	31%	0.305	C	S	.	.			trans	-70.1	147.8	178.3	72	0	0	0	0	111.7	E948 E1078 F1079 L1080 R1109	E948-S1076 VanDerWaalsContact OE1-CB 3.23Å; E948-S1076 WeakPolarHBondContact OE1-CB 3.46Å; E948-S1076 PolarHBondContact OE1-N 3.13Å; E948-S1076 PolarHBondContact OE1-OG 3.08Å; E948-S1076 WeakPolarHBondContact OE2-CB 3.19Å; E948-S1076 PolarHBondContact OE2-OG 3.07Å; S1076-E1078 PolarHBondContact O-N 3.18Å; S1076-E1078 VanDerWaalsContact O-N 3.08Å; S1076-F1079 WeakPolarHBondContact O-CA 3.48Å; S1076-F1079 PolarHBondContact O-N 3.28Å; S1076-F1079 PolarHBondContact OG-N 2.89Å; S1076-L1080 WeakPolarHBondContact O-CG 3.4Å; S1076-L1080 PolarHBondContact O-N 3.3Å; S1076-R1109 PolarHBondContact OG-NH1 2.6Å
1077	A	96.7	Very high	94.1	Very high	81 Å²	81	59 Å²	59	67%	0.669	29%	0.29	S	S	*	.	H	α-helix	trans	-56.4	-28.2	178.1	0	0	0	0	0	113.5	D1081	A1077-D1081 WeakPolarHBondContact O-CB 3.46Å; A1077-D1081 PolarHBondContact O-N 3.29Å
1078	E	96.9	Very high	94.3	Very high	40 Å²	40	61.7 Å²	61.7	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-39.4	173.8	-64.7	-179.1	122.7	0	0	111.7	S1076 F1082 H1103 P1104 F1105 R1108 R1109	S1076-E1078 PolarHBondContact O-N 3.18Å; S1076-E1078 VanDerWaalsContact O-N 3.08Å; E1078-F1082 PolarHBondContact O-N 3.01Å; E1078-H1103 PolarHBondContact O-CE1 3.06Å; E1078-H1103 VanDerWaalsContact O-CE1 3.22Å; E1078-P1104 HydrophobicContact CG-CB 4.26Å; E1078-P1104 WeakPolarHBondContact OE1-CB 3.28Å; E1078-F1105 HydrophobicContact CB-CB 4.5Å; E1078-R1108 WeakPolarHBondContact OE1-CD 3.37Å; E1078-R1108 IonicContact OE1-CZ 3.45Å; E1078-R1108 IonicContact OE1-NE 2.7Å; E1078-R1108 IonicContact OE1-NH1 2.81Å; E1078-R1108 PolarHBondContact OE1-NH1 3.12Å; E1078-R1109 IonicContact OE2-CZ 2.79Å; E1078-R1109 IonicContact OE2-NE 3.19Å; E1078-R1109 PolarHBondContact OE2-NE 2.77Å; E1078-R1109 IonicContact OE2-NH2 2.81Å; E1078-R1109 PolarHBondContact OE2-NH2 2.72Å
1079	F	97.9	Very high	94.6	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-73.3	-36.1	175.4	-169.5	-163.8	0	0	0	112	E948 I951 A1039 I1043 L1075 S1076 F1082 L1083 F1105	E948-F1079 HydrophobicContact CG-CD1 3.91Å; E948-F1079 HydrophobicContact CG-CE1 4.48Å; I951-F1079 HydrophobicContact CD1-CE1 4.19Å; I951-F1079 HydrophobicContact CD1-CZ 4.27Å; I951-F1079 HydrophobicContact CG2-CE1 4.47Å; I951-F1079 HydrophobicContact CG2-CE2 4.15Å; I951-F1079 HydrophobicContact CG2-CZ 3.73Å; A1039-F1079 HydrophobicContact CB-CE2 4.43Å; I1043-F1079 HydrophobicContact CD1-CE1 3.59Å; I1043-F1079 HydrophobicContact CD1-CZ 3.66Å; I1043-F1079 HydrophobicContact CG1-CE1 3.85Å; I1043-F1079 HydrophobicContact CG1-CZ 4.02Å; L1075-F1079 HydrophobicContact CB-CD1 4.39Å; L1075-F1079 HydrophobicContact CD2-CD1 4.06Å; L1075-F1079 HydrophobicContact CD2-CE1 4.14Å; S1076-F1079 WeakPolarHBondContact O-CA 3.48Å; S1076-F1079 PolarHBondContact O-N 3.28Å; S1076-F1079 PolarHBondContact OG-N 2.89Å; F1079-F1082 HydrophobicContact CD2-CB 4.48Å; F1079-F1082 HydrophobicContact CD2-CD1 4.19Å; F1079-F1082 HydrophobicContact CE2-CD1 4.25Å; F1079-F1082 WeakPolarHBondContact O-CB 2.82Å; F1079-F1082 PolarHBondContact O-N 2.71Å; F1079-L1083 HydrophobicContact CD2-CD1 4.08Å; F1079-L1083 HydrophobicContact CD2-CG 3.91Å; F1079-L1083 HydrophobicContact CE1-CD1 4.49Å; F1079-L1083 HydrophobicContact CE2-CD1 3.87Å; F1079-L1083 HydrophobicContact CE2-CD2 3.86Å; F1079-L1083 HydrophobicContact CE2-CG 3.71Å; F1079-L1083 HydrophobicContact CG-CD1 4.47Å; F1079-L1083 HydrophobicContact CZ-CD1 4.08Å; F1079-L1083 HydrophobicContact CZ-CD2 4.4Å; F1079-L1083 HydrophobicContact CZ-CG 4.36Å; F1079-L1083 WeakPolarHBondContact O-CG 3.35Å; F1079-L1083 PolarHBondContact O-N 2.84Å; F1079-F1105 HydrophobicContact CB-CD2 3.66Å; F1079-F1105 HydrophobicContact CB-CE2 3.5Å; F1079-F1105 VanDerWaalsContact CB-CE2 3.5Å; F1079-F1105 HydrophobicContact CB-CG 4.49Å; F1079-F1105 HydrophobicContact CB-CZ 4.2Å; F1079-F1105 HydrophobicContact CD1-CE2 4.05Å; F1079-F1105 HydrophobicContact CD1-CZ 4.17Å; F1079-F1105 HydrophobicContact CD2-CD1 4.11Å; F1079-F1105 HydrophobicContact CD2-CD2 4.02Å; F1079-F1105 AromaticContact CD2-CE1 3.56Å; F1079-F1105 HydrophobicContact CD2-CE1 3.56Å; F1079-F1105 AromaticContact CD2-CE2 3.46Å; F1079-F1105 HydrophobicContact CD2-CE2 3.46Å; F1079-F1105 VanDerWaalsContact CD2-CE2 3.46Å; F1079-F1105 HydrophobicContact CD2-CG 4.33Å; F1079-F1105 AromaticContact CD2-CZ 3.19Å; F1079-F1105 HydrophobicContact CD2-CZ 3.19Å; F1079-F1105 HydrophobicContact CE1-CZ 4.38Å; F1079-F1105 AromaticContact CE2-CE1 3.76Å; F1079-F1105 HydrophobicContact CE2-CE1 3.76Å; F1079-F1105 HydrophobicContact CE2-CE2 4.18Å; F1079-F1105 AromaticContact CE2-CZ 3.48Å; F1079-F1105 HydrophobicContact CE2-CZ 3.48Å; F1079-F1105 VanDerWaalsContact CE2-CZ 3.48Å; F1079-F1105 HydrophobicContact CG-CD2 4.01Å; F1079-F1105 HydrophobicContact CG-CE1 4.36Å; F1079-F1105 AromaticContact CG-CE2 3.4Å; F1079-F1105 HydrophobicContact CG-CE2 3.4Å; F1079-F1105 AromaticContact CG-CZ 3.6Å; F1079-F1105 HydrophobicContact CG-CZ 3.6Å; F1079-F1105 HydrophobicContact CZ-CZ 4.08Å
1080	L	96.9	Very high	94.9	Very high	27 Å²	27	59.3 Å²	59.3	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-45.5	174.8	-66.3	-178.7	0	0	0	112.3	R1072 L1075 S1076 F1082 L1083 D1084	R1072-L1080 HydrophobicContact CG-CD1 4.06Å; R1072-L1080 HydrophobicContact CG-CD2 3.48Å; R1072-L1080 VanDerWaalsContact CG-CD2 3.48Å; R1072-L1080 HydrophobicContact CG-CG 4.44Å; L1075-L1080 HydrophobicContact CB-CD2 3.74Å; L1075-L1080 HydrophobicContact CB-CG 4.02Å; L1075-L1080 HydrophobicContact CD1-CD2 3.79Å; L1075-L1080 HydrophobicContact CG-CD2 4.36Å; S1076-L1080 WeakPolarHBondContact O-CG 3.4Å; S1076-L1080 PolarHBondContact O-N 3.3Å; L1080-F1082 VanDerWaalsContact C-N 3.26Å; L1080-F1082 PolarHBondContact O-N 2.79Å; L1080-L1083 PolarHBondContact O-N 3.32Å; L1080-D1084 VanDerWaalsContact O-CB 3.23Å; L1080-D1084 WeakPolarHBondContact O-CB 3.14Å; L1080-D1084 PolarHBondContact O-N 2.86Å
1081	D	97.6	Very high	95.3	Very high	56 Å²	56	56 Å²	56	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-30.9	174	-178.1	46.1	0	0	0	112	A1077 R1085 H1103	A1077-D1081 WeakPolarHBondContact O-CB 3.46Å; A1077-D1081 PolarHBondContact O-N 3.29Å; D1081-R1085 WeakPolarHBondContact O-CB 3.45Å; D1081-R1085 WeakPolarHBondContact O-CD 3.24Å; D1081-R1085 WeakPolarHBondContact O-CG 3.3Å; D1081-R1085 PolarHBondContact O-N 3.16Å; D1081-R1085 VanDerWaalsContact O-N 3.1Å; D1081-R1085 IonicContact OD1-CZ 3.93Å; D1081-R1085 IonicContact OD1-NE 2.86Å; D1081-R1085 PolarHBondContact OD1-NE 3.41Å; D1081-R1085 IonicContact OD1-NH2 2.68Å; D1081-R1085 PolarHBondContact OD1-NH2 2.9Å; D1081-R1085 IonicContact OD2-CZ 3.78Å; D1081-R1085 VanDerWaalsContact OD2-CZ 3.25Å; D1081-R1085 IonicContact OD2-NE 2.79Å; D1081-R1085 PolarHBondContact OD2-NE 3.08Å; D1081-R1085 IonicContact OD2-NH2 3.69Å; D1081-R1085 PolarHBondContact OD2-NH2 2.63Å; D1081-H1103 IonicContact OD2-CD2 2.73Å; D1081-H1103 IonicContact OD2-CE1 3.64Å; D1081-H1103 PolarHBondContact OD2-CE1 3.14Å; D1081-H1103 IonicContact OD2-NE2 2.87Å; D1081-H1103 PolarHBondContact OD2-NE2 2.71Å
1082	F	98.5	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-51.8	172.7	179.5	-96.1	0	0	0	111.9	C955 L959 L1035 E1078 F1079 L1080 D1084 R1085 C1086 L1100 H1103 F1105 I1106	C955-F1082 HydrophobicContact CB-CE1 4.27Å; C955-F1082 HydrophobicContact CB-CZ 3.96Å; L959-F1082 HydrophobicContact CD1-CE2 3.9Å; L959-F1082 HydrophobicContact CD1-CZ 4.03Å; L1035-F1082 HydrophobicContact CD2-CZ 4.49Å; E1078-F1082 PolarHBondContact O-N 3.01Å; F1079-F1082 HydrophobicContact CD2-CB 4.48Å; F1079-F1082 HydrophobicContact CD2-CD1 4.19Å; F1079-F1082 HydrophobicContact CE2-CD1 4.25Å; F1079-F1082 WeakPolarHBondContact O-CB 2.82Å; F1079-F1082 PolarHBondContact O-N 2.71Å; L1080-F1082 VanDerWaalsContact C-N 3.26Å; L1080-F1082 PolarHBondContact O-N 2.79Å; F1082-D1084 VanDerWaalsContact C-N 3.34Å; F1082-D1084 PolarHBondContact O-N 3.34Å; F1082-R1085 PolarHBondContact O-N 3.35Å; F1082-C1086 PolarHBondContact O-N 2.74Å; F1082-C1086 VanDerWaalsContact O-N 3.09Å; F1082-C1086 PolarHBondContact O-SG 3.05Å; F1082-L1100 HydrophobicContact CD2-CD2 3.92Å; F1082-L1100 HydrophobicContact CE2-CB 4.21Å; F1082-L1100 HydrophobicContact CE2-CD2 3.9Å; F1082-L1100 HydrophobicContact CE2-CG 4.5Å; F1082-H1103 HydrophobicContact CD2-CB 4.13Å; F1082-H1103 AromaticContact CD2-CG 3.95Å; F1082-H1103 AromaticContact CD2-ND1 3.91Å; F1082-H1103 PolarHBondContact N-CE1 3.3Å; F1082-F1105 HydrophobicContact CB-CB 3.94Å; F1082-F1105 HydrophobicContact CB-CD1 3.91Å; F1082-F1105 HydrophobicContact CB-CG 4.09Å; F1082-F1105 AromaticContact CD1-CD1 3.73Å; F1082-F1105 HydrophobicContact CD1-CD1 3.73Å; F1082-F1105 AromaticContact CD1-CE1 3.9Å; F1082-F1105 HydrophobicContact CD1-CE1 3.9Å; F1082-F1105 HydrophobicContact CD2-CB 4.38Å; F1082-F1105 AromaticContact CD2-CD1 3.86Å; F1082-F1105 HydrophobicContact CD2-CD1 3.86Å; F1082-F1105 HydrophobicContact CE1-CD1 4.21Å; F1082-F1105 HydrophobicContact CE1-CE1 4.19Å; F1082-F1105 HydrophobicContact CE2-CD1 4.32Å; F1082-F1105 HydrophobicContact CG-CB 4.3Å; F1082-F1105 AromaticContact CG-CD1 3.55Å; F1082-F1105 HydrophobicContact CG-CD1 3.55Å; F1082-F1105 HydrophobicContact CG-CE1 4.21Å; F1082-F1105 HydrophobicContact CG-CG 4.21Å; F1082-F1105 HydrophobicContact CZ-CD1 4.48Å; F1082-I1106 HydrophobicContact CD2-CD1 4.41Å; F1082-I1106 HydrophobicContact CD2-CG1 4.06Å; F1082-I1106 HydrophobicContact CE2-CD1 3.75Å; F1082-I1106 HydrophobicContact CE2-CG1 3.6Å; F1082-I1106 HydrophobicContact CZ-CD1 4.02Å; F1082-I1106 HydrophobicContact CZ-CG1 4.38Å
1083	L	97.9	Very high	96.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-43	178.1	-70.4	171.7	0	0	0	111.4	A1039 I1040 I1043 I1069 L1075 F1079 L1080 R1085 C1086 L1087	A1039-L1083 HydrophobicContact CB-CD2 3.58Å; I1040-L1083 HydrophobicContact CG1-CD2 4.48Å; I1043-L1083 HydrophobicContact CD1-CD1 4.13Å; I1069-L1083 HydrophobicContact CD1-CB 4.25Å; I1069-L1083 HydrophobicContact CD1-CD1 3.93Å; L1075-L1083 HydrophobicContact CD1-CD1 4.21Å; F1079-L1083 HydrophobicContact CD2-CD1 4.08Å; F1079-L1083 HydrophobicContact CD2-CG 3.91Å; F1079-L1083 HydrophobicContact CE1-CD1 4.49Å; F1079-L1083 HydrophobicContact CE2-CD1 3.87Å; F1079-L1083 HydrophobicContact CE2-CD2 3.86Å; F1079-L1083 HydrophobicContact CE2-CG 3.71Å; F1079-L1083 HydrophobicContact CG-CD1 4.47Å; F1079-L1083 HydrophobicContact CZ-CD1 4.08Å; F1079-L1083 HydrophobicContact CZ-CD2 4.4Å; F1079-L1083 HydrophobicContact CZ-CG 4.36Å; F1079-L1083 WeakPolarHBondContact O-CG 3.35Å; F1079-L1083 PolarHBondContact O-N 2.84Å; L1080-L1083 PolarHBondContact O-N 3.32Å; L1083-R1085 VanDerWaalsContact C-N 3.35Å; L1083-R1085 PolarHBondContact O-N 2.91Å; L1083-C1086 PolarHBondContact O-N 3.07Å; L1083-C1086 VanDerWaalsContact O-N 3.14Å; L1083-L1087 WeakPolarHBondContact O-CB 3.3Å; L1083-L1087 PolarHBondContact O-N 3.12Å
1084	D	97.1	Very high	96.5	Very high	41 Å²	41	50 Å²	50	22%	0.219	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-39.1	179.7	-70.9	-6.4	0	0	0	111.8	K1066 R1072 L1080 F1082 E1088	K1066-D1084 WeakPolarHBondContact CE-OD1 3.29Å; K1066-D1084 IonicContact NZ-OD1 2.74Å; K1066-D1084 PolarHBondContact NZ-OD1 3.41Å; K1066-D1084 IonicContact NZ-OD2 2.7Å; R1072-D1084 IonicContact CZ-OD1 2.7Å; R1072-D1084 IonicContact CZ-OD2 2.79Å; R1072-D1084 IonicContact NH1-OD1 3.69Å; R1072-D1084 PolarHBondContact NH1-OD1 2.95Å; R1072-D1084 IonicContact NH1-OD2 3.6Å; R1072-D1084 IonicContact NH2-OD1 3.91Å; R1072-D1084 PolarHBondContact NH2-OD1 3.48Å; R1072-D1084 IonicContact NH2-OD2 2.76Å; R1072-D1084 PolarHBondContact NH2-OD2 3.02Å; L1080-D1084 VanDerWaalsContact O-CB 3.23Å; L1080-D1084 WeakPolarHBondContact O-CB 3.14Å; L1080-D1084 PolarHBondContact O-N 2.86Å; F1082-D1084 VanDerWaalsContact C-N 3.34Å; F1082-D1084 PolarHBondContact O-N 3.34Å; D1084-E1088 PolarHBondContact O-N 2.86Å
1085	R	98.1	Very high	96.7	Very high	115 Å²	115	43.4 Å²	43.4	43%	0.434	24%	0.237	S	C	.	.	H	α-helix	trans	-70.4	-27.5	173.4	-72.3	170.1	-164.5	-110.8	8	114.3	D1081 F1082 L1083 R1094 A1095 L1100 H1103	D1081-R1085 WeakPolarHBondContact O-CB 3.45Å; D1081-R1085 WeakPolarHBondContact O-CD 3.24Å; D1081-R1085 WeakPolarHBondContact O-CG 3.3Å; D1081-R1085 PolarHBondContact O-N 3.16Å; D1081-R1085 VanDerWaalsContact O-N 3.1Å; D1081-R1085 IonicContact OD1-CZ 3.93Å; D1081-R1085 IonicContact OD1-NE 2.86Å; D1081-R1085 PolarHBondContact OD1-NE 3.41Å; D1081-R1085 IonicContact OD1-NH2 2.68Å; D1081-R1085 PolarHBondContact OD1-NH2 2.9Å; D1081-R1085 IonicContact OD2-CZ 3.78Å; D1081-R1085 VanDerWaalsContact OD2-CZ 3.25Å; D1081-R1085 IonicContact OD2-NE 2.79Å; D1081-R1085 PolarHBondContact OD2-NE 3.08Å; D1081-R1085 IonicContact OD2-NH2 3.69Å; D1081-R1085 PolarHBondContact OD2-NH2 2.63Å; F1082-R1085 PolarHBondContact O-N 3.35Å; L1083-R1085 VanDerWaalsContact C-N 3.35Å; L1083-R1085 PolarHBondContact O-N 2.91Å; R1085-R1094 WeakPolarHBondContact O-CG 3.4Å; R1085-A1095 HydrophobicContact CB-CB 4.11Å; R1085-A1095 PolarHBondContact O-N 2.8Å; R1085-A1095 VanDerWaalsContact O-N 3.14Å; R1085-L1100 HydrophobicContact CB-CD2 4.01Å; R1085-H1103 PolarHBondContact NE-NE2 2.98Å
1086	C	98.3	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-78.6	-38.6	176	-64.1	0	0	0	0	111.9	I1032 F1082 L1083 R1094 L1100	I1032-C1086 HydrophobicContact CG2-CB 4.31Å; F1082-C1086 PolarHBondContact O-N 2.74Å; F1082-C1086 VanDerWaalsContact O-N 3.09Å; F1082-C1086 PolarHBondContact O-SG 3.05Å; L1083-C1086 PolarHBondContact O-N 3.07Å; L1083-C1086 VanDerWaalsContact O-N 3.14Å; C1086-R1094 WeakPolarHBondContact O-CD 3.44Å; C1086-R1094 WeakPolarHBondContact O-CG 3.37Å; C1086-L1100 VanDerWaalsContact SG-CD1 3.59Å
1087	L	97.6	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-103	23	-173	-60.6	171.4	0	0	0	113.2	W1033 I1037 I1040 K1066 P1067 L1083	W1033-L1087 HydrophobicContact CD2-CD2 3.85Å; W1033-L1087 HydrophobicContact CE3-CB 4.48Å; W1033-L1087 HydrophobicContact CE3-CD2 4.13Å; W1033-L1087 HydrophobicContact CG-CD2 4.23Å; W1033-L1087 HydrophobicContact CZ2-CD2 4.3Å; W1033-L1087 VanDerWaalsContact CZ3-C 3.5Å; W1033-L1087 HydrophobicContact CZ3-CB 4.32Å; W1033-L1087 HydrophobicContact CZ3-CD2 4.5Å; W1033-L1087 WeakPolarHBondContact CZ3-O 3.36Å; I1037-L1087 HydrophobicContact CD1-CD2 3.74Å; I1037-L1087 HydrophobicContact CG1-CD2 4.06Å; I1040-L1087 HydrophobicContact CD1-CD1 3.6Å; I1040-L1087 HydrophobicContact CG1-CD1 4.34Å; K1066-L1087 HydrophobicContact CG-CB 4.17Å; P1067-L1087 HydrophobicContact CG-CD1 4.05Å; L1083-L1087 WeakPolarHBondContact O-CB 3.3Å; L1083-L1087 PolarHBondContact O-N 3.12Å
1088	E	96.8	Very high	97	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	23%	0.226	S	C	.	.			trans	-66.8	129.7	171	174.5	46.5	-122.2	0	0	110.3	D1084 N1090 L1093 R1094	D1084-E1088 PolarHBondContact O-N 2.86Å; E1088-N1090 HydrophobicContact CG-CB 4.47Å; E1088-N1090 VanDerWaalsContact OE1-CB 3.31Å; E1088-N1090 WeakPolarHBondContact OE1-CB 3.24Å; E1088-N1090 PolarHBondContact OE1-N 2.92Å; E1088-L1093 HydrophobicContact CG-CB 3.87Å; E1088-R1094 HydrophobicContact CB-CB 3.91Å; E1088-R1094 HydrophobicContact CB-CG 4.18Å; E1088-R1094 HydrophobicContact CG-CB 4.24Å; E1088-R1094 PolarHBondContact O-NE 2.92Å; E1088-R1094 PolarHBondContact O-NH2 3.45Å
1089	V	94.5	Very high	97.1	Very high	66 Å²	66	47.2 Å²	47.2	40%	0.4	24%	0.24	S	C	.	.	S	Bend	trans	-76.6	-34	-174.3	-178	0	0	0	0	111	W1033 K1066 V1091	W1033-V1089 HydrophobicContact CH2-CG2 4.43Å; W1033-V1089 HydrophobicContact CZ3-CG2 4.36Å; K1066-V1089 HydrophobicContact CB-CG2 4Å; V1089-V1091 PolarHBondContact O-N 3.25Å
1090	N	94	Very high	97.1	Very high	75 Å²	75	47.2 Å²	47.2	40%	0.401	24%	0.24	S	C	.	.	S	Bend	trans	-75.1	103.5	172.4	-174.1	-11.9	0	0	0	110.6	E1088 D1092 L1093 R1094	E1088-N1090 HydrophobicContact CG-CB 4.47Å; E1088-N1090 VanDerWaalsContact OE1-CB 3.31Å; E1088-N1090 WeakPolarHBondContact OE1-CB 3.24Å; E1088-N1090 PolarHBondContact OE1-N 2.92Å; N1090-D1092 PolarHBondContact O-N 3.13Å; N1090-D1092 PolarHBondContact OD1-N 2.93Å; N1090-D1092 VanDerWaalsContact OD1-N 3.1Å; N1090-L1093 HydrophobicContact CB-CB 4.2Å; N1090-L1093 HydrophobicContact CB-CD1 4.06Å; N1090-L1093 HydrophobicContact CB-CG 4.16Å; N1090-L1093 PolarHBondContact O-N 3.15Å; N1090-R1094 PolarHBondContact O-N 3.07Å
1091	V	94.1	Very high	97.2	Very high	32 Å²	32	47.5 Å²	47.5	19%	0.194	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.7	-179.5	-172.3	0	0	0	0	113	E1019 K1029 V1089	E1019-V1091 HydrophobicContact CB-CG2 3.85Å; E1019-V1091 VanDerWaalsContact CD-CG2 3.41Å; E1019-V1091 HydrophobicContact CG-CG2 3.79Å; K1029-V1091 HydrophobicContact CB-CG1 4.26Å; K1029-V1091 HydrophobicContact CD-CG1 4.29Å; K1029-V1091 WeakPolarHBondContact CD-O 3.1Å; K1029-V1091 WeakPolarHBondContact CE-O 3.36Å; K1029-V1091 PolarHBondContact NZ-O 3.47Å; V1089-V1091 PolarHBondContact O-N 3.25Å
1092	D	94.2	Very high	97.2	Very high	123 Å²	123	50.6 Å²	50.6	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.1	-179.6	-64.1	-42.2	0	0	0	111.9	K1029 N1090	K1029-D1092 PolarHBondContact NZ-O 2.82Å; N1090-D1092 PolarHBondContact O-N 3.13Å; N1090-D1092 PolarHBondContact OD1-N 2.93Å; N1090-D1092 VanDerWaalsContact OD1-N 3.1Å
1093	L	96.9	Very high	97.3	Very high	128 Å²	128	50.9 Å²	50.9	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-31.3	174.7	-61.9	179.2	0	0	0	114.2	E1088 N1090 A1095	E1088-L1093 HydrophobicContact CG-CB 3.87Å; N1090-L1093 HydrophobicContact CB-CB 4.2Å; N1090-L1093 HydrophobicContact CB-CD1 4.06Å; N1090-L1093 HydrophobicContact CB-CG 4.16Å; N1090-L1093 PolarHBondContact O-N 3.15Å; L1093-A1095 PolarHBondContact O-N 2.98Å
1094	R	97.9	Very high	97.3	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.267	C	S	.	.	S	Bend	trans	-53.7	135	177.4	-169.3	-169.8	-57.7	150.8	7.2	110.7	E1019 K1029 I1032 R1085 C1086 E1088 N1090	E1019-R1094 IonicContact OE1-CZ 3.64Å; E1019-R1094 IonicContact OE1-NH1 3.49Å; E1019-R1094 PolarHBondContact OE1-NH1 2.88Å; E1019-R1094 IonicContact OE1-NH2 3.82Å; E1019-R1094 IonicContact OE2-CZ 3.57Å; E1019-R1094 IonicContact OE2-NH1 2.84Å; E1019-R1094 PolarHBondContact OE2-NH1 2.82Å; E1019-R1094 IonicContact OE2-NH2 2.71Å; E1019-R1094 PolarHBondContact OE2-NH2 3.46Å; K1029-R1094 HydrophobicContact CD-CB 4.46Å; K1029-R1094 WeakPolarHBondContact CD-O 3.45Å; K1029-R1094 WeakPolarHBondContact CE-O 3.35Å; K1029-R1094 PolarHBondContact NZ-O 2.82Å; K1029-R1094 PolarHBondContact O-NH1 3.26Å; I1032-R1094 HydrophobicContact CG2-CG 4.42Å; R1085-R1094 WeakPolarHBondContact O-CG 3.4Å; C1086-R1094 WeakPolarHBondContact O-CD 3.44Å; C1086-R1094 WeakPolarHBondContact O-CG 3.37Å; E1088-R1094 HydrophobicContact CB-CB 3.91Å; E1088-R1094 HydrophobicContact CB-CG 4.18Å; E1088-R1094 HydrophobicContact CG-CB 4.24Å; E1088-R1094 PolarHBondContact O-NE 2.92Å; E1088-R1094 PolarHBondContact O-NH2 3.45Å; N1090-R1094 PolarHBondContact O-N 3.07Å
1095	A	98.2	Very high	97.3	Very high	9 Å²	9	51 Å²	51	7%	0.074	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-66.5	156.8	-174.7	0	0	0	0	0	112.9	R1085 L1093 E1099 L1100	R1085-A1095 HydrophobicContact CB-CB 4.11Å; R1085-A1095 PolarHBondContact O-N 2.8Å; R1085-A1095 VanDerWaalsContact O-N 3.14Å; L1093-A1095 PolarHBondContact O-N 2.98Å; A1095-E1099 HydrophobicContact CB-CB 4.36Å; A1095-L1100 HydrophobicContact CB-CD1 4.08Å; A1095-L1100 HydrophobicContact CB-CD2 3.88Å; A1095-L1100 HydrophobicContact CB-CG 3.67Å
1096	S	98.3	Very high	97.3	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-91.6	165.6	167.7	69.7	0	0	0	0	112	F1098 E1099 L1100	S1096-F1098 VanDerWaalsContact C-N 3.27Å; S1096-F1098 PolarHBondContact O-N 3.32Å; S1096-E1099 WeakPolarHBondContact CB-OE2 3.44Å; S1096-E1099 PolarHBondContact N-OE2 3.14Å; S1096-E1099 PolarHBondContact O-N 3.38Å; S1096-E1099 VanDerWaalsContact O-N 3.09Å; S1096-E1099 PolarHBondContact OG-OE2 2.85Å; S1096-L1100 PolarHBondContact O-N 3.05Å
1097	A	98.4	Very high	97.3	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-54.6	-42.2	176.6	0	0	0	0	0	112.7	L959 L962 E963 I1032 E1099 L1100 L1101	L959-A1097 HydrophobicContact CD2-CB 4.19Å; L962-A1097 HydrophobicContact CB-CB 4.13Å; E963-A1097 HydrophobicContact CB-CB 3.96Å; I1032-A1097 HydrophobicContact CD1-CB 4.03Å; A1097-E1099 VanDerWaalsContact C-N 3.27Å; A1097-E1099 PolarHBondContact O-N 3.44Å; A1097-L1100 PolarHBondContact O-N 3.01Å; A1097-L1101 WeakPolarHBondContact O-CB 3.42Å; A1097-L1101 VanDerWaalsContact O-CG 3.31Å; A1097-L1101 WeakPolarHBondContact O-CG 3.36Å; A1097-L1101 PolarHBondContact O-N 2.74Å
1098	F	97.8	Very high	97.3	Very high	112 Å²	112	58.9 Å²	58.9	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-25.9	179.1	176.7	-113.7	0	0	0	114.2	E963 S1096 K1102	E963-F1098 HydrophobicContact CG-CB 4.24Å; S1096-F1098 VanDerWaalsContact C-N 3.27Å; S1096-F1098 PolarHBondContact O-N 3.32Å; F1098-K1102 VanDerWaalsContact O-CE 3.24Å; F1098-K1102 WeakPolarHBondContact O-CE 3.28Å
1099	E	98.3	Very high	97.3	Very high	104 Å²	104	60 Å²	60	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-85.4	-42.1	175.8	-68.6	159.5	124.8	0	0	110.6	A1095 S1096 A1097 L1101 K1102	A1095-E1099 HydrophobicContact CB-CB 4.36Å; S1096-E1099 WeakPolarHBondContact CB-OE2 3.44Å; S1096-E1099 PolarHBondContact N-OE2 3.14Å; S1096-E1099 PolarHBondContact O-N 3.38Å; S1096-E1099 VanDerWaalsContact O-N 3.09Å; S1096-E1099 PolarHBondContact OG-OE2 2.85Å; A1097-E1099 VanDerWaalsContact C-N 3.27Å; A1097-E1099 PolarHBondContact O-N 3.44Å; E1099-L1101 VanDerWaalsContact C-N 3.35Å; E1099-L1101 PolarHBondContact O-N 3.04Å; E1099-K1102 PolarHBondContact O-N 3.22Å; E1099-K1102 VanDerWaalsContact O-N 3.12Å
1100	L	98.7	Very high	97.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-30.5	178.3	-70.8	169	0	0	0	113.2	L959 I1032 F1082 R1085 C1086 A1095 S1096 A1097 K1102 H1103 I1106	L959-L1100 HydrophobicContact CD1-CB 3.77Å; L959-L1100 HydrophobicContact CD2-CB 3.71Å; L959-L1100 HydrophobicContact CD2-CD1 4.04Å; L959-L1100 HydrophobicContact CG-CB 4.42Å; I1032-L1100 HydrophobicContact CD1-CD1 4.31Å; I1032-L1100 HydrophobicContact CG2-CD1 3.41Å; I1032-L1100 VanDerWaalsContact CG2-CD1 3.41Å; F1082-L1100 HydrophobicContact CD2-CD2 3.92Å; F1082-L1100 HydrophobicContact CE2-CB 4.21Å; F1082-L1100 HydrophobicContact CE2-CD2 3.9Å; F1082-L1100 HydrophobicContact CE2-CG 4.5Å; R1085-L1100 HydrophobicContact CB-CD2 4.01Å; C1086-L1100 VanDerWaalsContact SG-CD1 3.59Å; A1095-L1100 HydrophobicContact CB-CD1 4.08Å; A1095-L1100 HydrophobicContact CB-CD2 3.88Å; A1095-L1100 HydrophobicContact CB-CG 3.67Å; S1096-L1100 PolarHBondContact O-N 3.05Å; A1097-L1100 PolarHBondContact O-N 3.01Å; L1100-K1102 PolarHBondContact O-N 2.85Å; L1100-K1102 VanDerWaalsContact O-N 3.14Å; L1100-H1103 WeakPolarHBondContact O-CB 3.07Å; L1100-H1103 PolarHBondContact O-N 3.45Å; L1100-I1106 WeakPolarHBondContact O-CG1 3.49Å
1101	L	98.4	Very high	97.6	Very high	33 Å²	33	58.4 Å²	58.4	17%	0.173	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20	171.3	-78.3	171	0	0	0	113.9	L959 Q960 E963 A1097 E1099	L959-L1101 HydrophobicContact CB-CD2 3.52Å; L959-L1101 HydrophobicContact CB-CG 3.87Å; Q960-L1101 HydrophobicContact CG-CD2 3.77Å; E963-L1101 HydrophobicContact CB-CD1 3.85Å; E963-L1101 HydrophobicContact CG-CD1 4.2Å; E963-L1101 WeakPolarHBondContact OE2-CD1 3.17Å; A1097-L1101 WeakPolarHBondContact O-CB 3.42Å; A1097-L1101 VanDerWaalsContact O-CG 3.31Å; A1097-L1101 WeakPolarHBondContact O-CG 3.36Å; A1097-L1101 PolarHBondContact O-N 2.74Å; E1099-L1101 VanDerWaalsContact C-N 3.35Å; E1099-L1101 PolarHBondContact O-N 3.04Å
1102	K	98.3	Very high	97.8	Very high	120 Å²	120	61.3 Å²	61.3	52%	0.522	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	2.2	178	-56.6	170	-167.3	160.9	0	112.4	F1098 E1099 L1100	F1098-K1102 VanDerWaalsContact O-CE 3.24Å; F1098-K1102 WeakPolarHBondContact O-CE 3.28Å; E1099-K1102 PolarHBondContact O-N 3.22Å; E1099-K1102 VanDerWaalsContact O-N 3.12Å; L1100-K1102 PolarHBondContact O-N 2.85Å; L1100-K1102 VanDerWaalsContact O-N 3.14Å
1103	H	98.6	Very high	98	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.032	28%	0.284	C	S	.	.	S	Bend	trans	-67.4	140	-174	-165	-87.5	0	0	0	111	E1078 D1081 F1082 R1085 L1100 F1105 I1106 V1107	E1078-H1103 PolarHBondContact O-CE1 3.06Å; E1078-H1103 VanDerWaalsContact O-CE1 3.22Å; D1081-H1103 IonicContact OD2-CD2 2.73Å; D1081-H1103 IonicContact OD2-CE1 3.64Å; D1081-H1103 PolarHBondContact OD2-CE1 3.14Å; D1081-H1103 IonicContact OD2-NE2 2.87Å; D1081-H1103 PolarHBondContact OD2-NE2 2.71Å; F1082-H1103 HydrophobicContact CD2-CB 4.13Å; F1082-H1103 AromaticContact CD2-CG 3.95Å; F1082-H1103 AromaticContact CD2-ND1 3.91Å; F1082-H1103 PolarHBondContact N-CE1 3.3Å; R1085-H1103 PolarHBondContact NE-NE2 2.98Å; L1100-H1103 WeakPolarHBondContact O-CB 3.07Å; L1100-H1103 PolarHBondContact O-N 3.45Å; H1103-F1105 WeakPolarHBondContact ND1-CB 3.31Å; H1103-F1105 PolarHBondContact ND1-N 2.67Å; H1103-F1105 PolarHBondContact O-N 2.85Å; H1103-F1105 VanDerWaalsContact O-N 3.12Å; H1103-I1106 HydrophobicContact CB-CG1 4.39Å; H1103-I1106 PolarHBondContact O-N 2.66Å; H1103-V1107 WeakPolarHBondContact O-CG2 3.37Å; H1103-V1107 PolarHBondContact O-N 3.33Å
1104	P	98.1	Very high	98	Very high	42 Å²	42	55 Å²	55	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-48.9	-39.1	178.9	-32.3	37.3	0	0	0	114.4	E1078 V1107 R1108	E1078-P1104 HydrophobicContact CG-CB 4.26Å; E1078-P1104 WeakPolarHBondContact OE1-CB 3.28Å; P1104-V1107 PolarHBondContact O-N 2.87Å; P1104-R1108 WeakPolarHBondContact O-CB 3.2Å; P1104-R1108 WeakPolarHBondContact O-CG 3.39Å; P1104-R1108 PolarHBondContact O-N 2.97Å
1105	F	98.5	Very high	98	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-55	174.1	-178.4	-117.2	0	0	0	112	E948 I951 A952 E1078 F1079 F1082 H1103 V1107 R1109	E948-F1105 HydrophobicContact CB-CE2 4.19Å; I951-F1105 HydrophobicContact CB-CZ 4.43Å; I951-F1105 HydrophobicContact CG2-CZ 4.17Å; A952-F1105 HydrophobicContact CB-CD1 3.96Å; A952-F1105 HydrophobicContact CB-CD2 4.23Å; A952-F1105 HydrophobicContact CB-CE1 3.61Å; A952-F1105 HydrophobicContact CB-CE2 3.88Å; A952-F1105 HydrophobicContact CB-CG 4.26Å; A952-F1105 HydrophobicContact CB-CZ 3.56Å; E1078-F1105 HydrophobicContact CB-CB 4.5Å; F1079-F1105 HydrophobicContact CB-CD2 3.66Å; F1079-F1105 HydrophobicContact CB-CE2 3.5Å; F1079-F1105 VanDerWaalsContact CB-CE2 3.5Å; F1079-F1105 HydrophobicContact CB-CG 4.49Å; F1079-F1105 HydrophobicContact CB-CZ 4.2Å; F1079-F1105 HydrophobicContact CD1-CE2 4.05Å; F1079-F1105 HydrophobicContact CD1-CZ 4.17Å; F1079-F1105 HydrophobicContact CD2-CD1 4.11Å; F1079-F1105 HydrophobicContact CD2-CD2 4.02Å; F1079-F1105 AromaticContact CD2-CE1 3.56Å; F1079-F1105 HydrophobicContact CD2-CE1 3.56Å; F1079-F1105 AromaticContact CD2-CE2 3.46Å; F1079-F1105 HydrophobicContact CD2-CE2 3.46Å; F1079-F1105 VanDerWaalsContact CD2-CE2 3.46Å; F1079-F1105 HydrophobicContact CD2-CG 4.33Å; F1079-F1105 AromaticContact CD2-CZ 3.19Å; F1079-F1105 HydrophobicContact CD2-CZ 3.19Å; F1079-F1105 HydrophobicContact CE1-CZ 4.38Å; F1079-F1105 AromaticContact CE2-CE1 3.76Å; F1079-F1105 HydrophobicContact CE2-CE1 3.76Å; F1079-F1105 HydrophobicContact CE2-CE2 4.18Å; F1079-F1105 AromaticContact CE2-CZ 3.48Å; F1079-F1105 HydrophobicContact CE2-CZ 3.48Å; F1079-F1105 VanDerWaalsContact CE2-CZ 3.48Å; F1079-F1105 HydrophobicContact CG-CD2 4.01Å; F1079-F1105 HydrophobicContact CG-CE1 4.36Å; F1079-F1105 AromaticContact CG-CE2 3.4Å; F1079-F1105 HydrophobicContact CG-CE2 3.4Å; F1079-F1105 AromaticContact CG-CZ 3.6Å; F1079-F1105 HydrophobicContact CG-CZ 3.6Å; F1079-F1105 HydrophobicContact CZ-CZ 4.08Å; F1082-F1105 HydrophobicContact CB-CB 3.94Å; F1082-F1105 HydrophobicContact CB-CD1 3.91Å; F1082-F1105 HydrophobicContact CB-CG 4.09Å; F1082-F1105 AromaticContact CD1-CD1 3.73Å; F1082-F1105 HydrophobicContact CD1-CD1 3.73Å; F1082-F1105 AromaticContact CD1-CE1 3.9Å; F1082-F1105 HydrophobicContact CD1-CE1 3.9Å; F1082-F1105 HydrophobicContact CD2-CB 4.38Å; F1082-F1105 AromaticContact CD2-CD1 3.86Å; F1082-F1105 HydrophobicContact CD2-CD1 3.86Å; F1082-F1105 HydrophobicContact CE1-CD1 4.21Å; F1082-F1105 HydrophobicContact CE1-CE1 4.19Å; F1082-F1105 HydrophobicContact CE2-CD1 4.32Å; F1082-F1105 HydrophobicContact CG-CB 4.3Å; F1082-F1105 AromaticContact CG-CD1 3.55Å; F1082-F1105 HydrophobicContact CG-CD1 3.55Å; F1082-F1105 HydrophobicContact CG-CE1 4.21Å; F1082-F1105 HydrophobicContact CG-CG 4.21Å; F1082-F1105 HydrophobicContact CZ-CD1 4.48Å; H1103-F1105 WeakPolarHBondContact ND1-CB 3.31Å; H1103-F1105 PolarHBondContact ND1-N 2.67Å; H1103-F1105 PolarHBondContact O-N 2.85Å; H1103-F1105 VanDerWaalsContact O-N 3.12Å; F1105-V1107 PolarHBondContact O-N 2.81Å; F1105-R1109 HydrophobicContact CD2-CB 4.19Å; F1105-R1109 HydrophobicContact CD2-CG 3.94Å; F1105-R1109 HydrophobicContact CE2-CB 4.45Å; F1105-R1109 HydrophobicContact CE2-CG 4.48Å; F1105-R1109 VanDerWaalsContact O-CB 3.24Å; F1105-R1109 WeakPolarHBondContact O-CB 3.26Å; F1105-R1109 PolarHBondContact O-N 3.13Å
1106	I	98.4	Very high	97.9	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-36.9	-178.9	-60.8	-58.4	0	0	0	112.5	C955 R956 L959 F1082 L1100 H1103 S1110	C955-I1106 HydrophobicContact CB-CD1 3.69Å; R956-I1106 HydrophobicContact CB-CD1 4.48Å; R956-I1106 HydrophobicContact CB-CG2 3.87Å; R956-I1106 HydrophobicContact CG-CG2 3.77Å; L959-I1106 HydrophobicContact CD1-CD1 4.01Å; L959-I1106 HydrophobicContact CD1-CG1 3.98Å; F1082-I1106 HydrophobicContact CD2-CD1 4.41Å; F1082-I1106 HydrophobicContact CD2-CG1 4.06Å; F1082-I1106 HydrophobicContact CE2-CD1 3.75Å; F1082-I1106 HydrophobicContact CE2-CG1 3.6Å; F1082-I1106 HydrophobicContact CZ-CD1 4.02Å; F1082-I1106 HydrophobicContact CZ-CG1 4.38Å; L1100-I1106 WeakPolarHBondContact O-CG1 3.49Å; H1103-I1106 HydrophobicContact CB-CG1 4.39Å; H1103-I1106 PolarHBondContact O-N 2.66Å; I1106-S1110 PolarHBondContact O-OG 3.07Å
1107	V	97.5	Very high	97.9	Very high	98 Å²	98	56.2 Å²	56.2	59%	0.594	29%	0.285	S	S	*	.	H	α-helix	trans	-81.6	-29.7	-176	177.7	0	0	0	0	112.3	H1103 P1104 F1105	H1103-V1107 WeakPolarHBondContact O-CG2 3.37Å; H1103-V1107 PolarHBondContact O-N 3.33Å; P1104-V1107 PolarHBondContact O-N 2.87Å; F1105-V1107 PolarHBondContact O-N 2.81Å
1108	R	96.8	Very high	97.8	Very high	176 Å²	176	58.4 Å²	58.4	66%	0.664	30%	0.299	S	S	*	.	H	α-helix	trans	-111.8	-30.1	-170.9	-56.7	168.2	177.3	172.3	-2.4	114.9	E1078 P1104	E1078-R1108 WeakPolarHBondContact OE1-CD 3.37Å; E1078-R1108 IonicContact OE1-CZ 3.45Å; E1078-R1108 IonicContact OE1-NE 2.7Å; E1078-R1108 IonicContact OE1-NH1 2.81Å; E1078-R1108 PolarHBondContact OE1-NH1 3.12Å; P1104-R1108 WeakPolarHBondContact O-CB 3.2Å; P1104-R1108 WeakPolarHBondContact O-CG 3.39Å; P1104-R1108 PolarHBondContact O-N 2.97Å
1109	R	96.4	Very high	97.8	Very high	89 Å²	89	53.4 Å²	53.4	34%	0.336	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-31.1	-174.9	-56.7	-61.4	-177.1	115.3	-7.8	113.5	E948 G949 A952 S1076 E1078 F1105 K1111	E948-R1109 IonicContact OE2-CZ 2.62Å; E948-R1109 IonicContact OE2-NH1 3.78Å; E948-R1109 PolarHBondContact OE2-NH1 2.92Å; G949-R1109 WeakPolarHBondContact CA-O 3.35Å; A952-R1109 HydrophobicContact CB-CB 3.94Å; S1076-R1109 PolarHBondContact OG-NH1 2.6Å; E1078-R1109 IonicContact OE2-CZ 2.79Å; E1078-R1109 IonicContact OE2-NE 3.19Å; E1078-R1109 PolarHBondContact OE2-NE 2.77Å; E1078-R1109 IonicContact OE2-NH2 2.81Å; E1078-R1109 PolarHBondContact OE2-NH2 2.72Å; F1105-R1109 HydrophobicContact CD2-CB 4.19Å; F1105-R1109 HydrophobicContact CD2-CG 3.94Å; F1105-R1109 HydrophobicContact CE2-CB 4.45Å; F1105-R1109 HydrophobicContact CE2-CG 4.48Å; F1105-R1109 VanDerWaalsContact O-CB 3.24Å; F1105-R1109 WeakPolarHBondContact O-CB 3.26Å; F1105-R1109 PolarHBondContact O-N 3.13Å; R1109-K1111 PolarHBondContact O-N 3.29Å; R1109-K1111 VanDerWaalsContact O-N 3.1Å
1110	S	97.6	Very high	97.7	Very high	25 Å²	25	48.5 Å²	48.5	18%	0.175	25%	0.254	C	S	.	.			trans	-57.1	114.5	-171.7	-56	0	0	0	0	113	G949 A952 I1106	G949-S1110 WeakPolarHBondContact O-CA 3.43Å; A952-S1110 VanDerWaalsContact CB-OG 3.31Å; A952-S1110 WeakPolarHBondContact CB-OG 3.37Å; A952-S1110 PolarHBondContact O-OG 3.39Å; I1106-S1110 PolarHBondContact O-OG 3.07Å
1111	K	98	Very high	97.6	Very high	83 Å²	83	52.3 Å²	52.3	36%	0.361	27%	0.274	S	S	.	.			trans	-71.3	168.2	176.5	-76.6	174.7	175.3	176.7	0	112.2	D947 G949 Q950 A953 R1109 S1115	D947-K1111 VanDerWaalsContact OD1-CE 3.32Å; D947-K1111 WeakPolarHBondContact OD1-CE 3.27Å; D947-K1111 IonicContact OD1-NZ 2.66Å; D947-K1111 PolarHBondContact OD1-NZ 2.77Å; D947-K1111 IonicContact OD2-NZ 2.68Å; D947-K1111 PolarHBondContact OD2-NZ 2.87Å; G949-K1111 PolarHBondContact O-N 2.69Å; Q950-K1111 HydrophobicContact CG-CD 4.32Å; A953-K1111 WeakPolarHBondContact CB-O 3.36Å; R1109-K1111 PolarHBondContact O-N 3.29Å; R1109-K1111 VanDerWaalsContact O-N 3.1Å; K1111-S1115 WeakPolarHBondContact CB-OG 3.47Å
1112	P	98	Very high	97.4	Very high	92 Å²	92	52.5 Å²	52.5	60%	0.597	28%	0.276	S	S	*	.			trans	-58	143.1	163.9	-22	34.1	0	0	0	110.8	S1114 S1115	P1112-S1114 PolarHBondContact O-N 3.14Å; P1112-S1115 VanDerWaalsContact O-CB 3.3Å; P1112-S1115 WeakPolarHBondContact O-CB 3.41Å; P1112-S1115 PolarHBondContact O-N 3.22Å; P1112-S1115 PolarHBondContact O-OG 3.22Å
1113	L	98	Very high	97.2	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.209	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.3	-29.9	-177.6	-68.6	-178.8	0	0	0	113.4	A953 E957 G986 V988 S1115 L1116	A953-L1113 HydrophobicContact CB-CD2 4.12Å; E957-L1113 HydrophobicContact CG-CD1 4.16Å; E957-L1113 HydrophobicContact CG-CD2 3.79Å; G986-L1113 WeakPolarHBondContact O-CB 3.35Å; V988-L1113 HydrophobicContact CG2-CD2 4.16Å; L1113-S1115 PolarHBondContact O-N 3.36Å; L1113-L1116 HydrophobicContact CD2-CD1 4.23Å; L1113-L1116 VanDerWaalsContact O-CB 3.28Å; L1113-L1116 WeakPolarHBondContact O-CB 3.44Å; L1113-L1116 WeakPolarHBondContact O-CG 3.31Å; L1113-L1116 PolarHBondContact O-N 3.26Å
1114	S	97.3	Very high	96.9	Very high	80 Å²	80	48.5 Å²	48.5	56%	0.559	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-60.7	-11.9	172.6	53.3	0	0	0	0	114.6	P1112 L1116 T1117	P1112-S1114 PolarHBondContact O-N 3.14Å; S1114-L1116 PolarHBondContact O-N 3.41Å; S1114-T1117 PolarHBondContact O-N 2.87Å
1115	S	97.4	Very high	96.5	Very high	29 Å²	29	50.2 Å²	50.2	20%	0.203	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-72.2	-11.9	168.4	67.7	0	0	0	0	113.8	Q950 K1111 P1112 L1113	Q950-S1115 PolarHBondContact NE2-O 2.94Å; K1111-S1115 WeakPolarHBondContact CB-OG 3.47Å; P1112-S1115 VanDerWaalsContact O-CB 3.3Å; P1112-S1115 WeakPolarHBondContact O-CB 3.41Å; P1112-S1115 PolarHBondContact O-N 3.22Å; P1112-S1115 PolarHBondContact O-OG 3.22Å; L1113-S1115 PolarHBondContact O-N 3.36Å
1116	L	97.6	Very high	96	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-30.8	172.9	-57.4	174.4	0	0	0	112.1	M946 Q950 V954 V988 L1113 S1114 P1118 L1119 I1120	M946-L1116 HydrophobicContact CE-CD2 3.94Å; Q950-L1116 HydrophobicContact CB-CD2 3.73Å; Q950-L1116 HydrophobicContact CG-CD2 4.05Å; V954-L1116 HydrophobicContact CG2-CD1 3.71Å; V954-L1116 HydrophobicContact CG2-CD2 4.09Å; V988-L1116 HydrophobicContact CG2-CD1 3.94Å; L1113-L1116 HydrophobicContact CD2-CD1 4.23Å; L1113-L1116 VanDerWaalsContact O-CB 3.28Å; L1113-L1116 WeakPolarHBondContact O-CB 3.44Å; L1113-L1116 WeakPolarHBondContact O-CG 3.31Å; L1113-L1116 PolarHBondContact O-N 3.26Å; S1114-L1116 PolarHBondContact O-N 3.41Å; L1116-P1118 VanDerWaalsContact C-CD 3.41Å; L1116-P1118 VanDerWaalsContact C-N 3.33Å; L1116-P1118 VanDerWaalsContact O-N 3.17Å; L1116-L1119 WeakPolarHBondContact O-CB 3.48Å; L1116-L1119 PolarHBondContact O-N 3.18Å; L1116-I1120 HydrophobicContact CB-CD1 3.91Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.48Å; L1116-I1120 PolarHBondContact O-N 3.27Å
1117	T	97.7	Very high	95.2	Very high	34 Å²	34	53.5 Å²	53.5	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-47.4	-44	-178.6	-62.3	0	0	0	0	114.1	L984 S1114 L1119 I1120 L1121	L984-T1117 WeakPolarHBondContact O-CB 3.33Å; L984-T1117 WeakPolarHBondContact O-CG2 3.41Å; L984-T1117 PolarHBondContact O-OG1 3.25Å; S1114-T1117 PolarHBondContact O-N 2.87Å; T1117-L1119 PolarHBondContact O-N 3.4Å; T1117-I1120 PolarHBondContact O-N 3.36Å; T1117-L1121 HydrophobicContact CG2-CD1 4.07Å; T1117-L1121 HydrophobicContact CG2-CG 4.48Å; T1117-L1121 WeakPolarHBondContact O-CG 3.5Å; T1117-L1121 PolarHBondContact O-N 3.34Å
1118	P	96.9	Very high	94.5	Very high	49 Å²	49	55.3 Å²	55.3	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-37.9	178.6	-20	33.5	0	0	0	113.1	I583 L1116 V1122	I583-P1118 HydrophobicContact CD1-CB 3.63Å; I583-P1118 WeakPolarHBondContact CD1-O 3.39Å; I583-P1118 HydrophobicContact CG1-CB 4.48Å; L1116-P1118 VanDerWaalsContact C-CD 3.41Å; L1116-P1118 VanDerWaalsContact C-N 3.33Å; L1116-P1118 VanDerWaalsContact O-N 3.17Å; P1118-V1122 WeakPolarHBondContact O-CG2 3.06Å; P1118-V1122 PolarHBondContact O-N 2.93Å
1119	L	96.9	Very high	93.7	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-43.1	176.7	-54.1	-171.8	0	0	0	111.3	I583 V940 T944 M946 L1116 T1117 L1121 V1122 A1123	I583-L1119 HydrophobicContact CG1-CD2 4.31Å; I583-L1119 HydrophobicContact CG2-CD2 3.51Å; V940-L1119 HydrophobicContact CG1-CB 3.91Å; V940-L1119 HydrophobicContact CG1-CD1 4.24Å; T944-L1119 HydrophobicContact CG2-CB 4.35Å; M946-L1119 HydrophobicContact CG-CD1 3.75Å; L1116-L1119 WeakPolarHBondContact O-CB 3.48Å; L1116-L1119 PolarHBondContact O-N 3.18Å; T1117-L1119 PolarHBondContact O-N 3.4Å; L1119-L1121 VanDerWaalsContact C-N 3.31Å; L1119-L1121 PolarHBondContact O-N 2.97Å; L1119-V1122 PolarHBondContact O-N 3.33Å; L1119-A1123 WeakPolarHBondContact O-CB 3.26Å; L1119-A1123 PolarHBondContact O-N 3.42Å
1120	I	96.8	Very high	92.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-42.2	178	-67.3	166.2	0	0	0	110.8	V940 L982 G983 L984 L1116 T1117 R1124	V940-I1120 HydrophobicContact CG2-CG1 4.02Å; L982-I1120 HydrophobicContact CB-CD1 3.99Å; L982-I1120 HydrophobicContact CB-CG1 4.47Å; L982-I1120 HydrophobicContact CD1-CD1 4.05Å; L982-I1120 HydrophobicContact CD1-CG1 3.91Å; G983-I1120 WeakPolarHBondContact O-CD1 3.29Å; L984-I1120 HydrophobicContact CD2-CG2 3.96Å; L1116-I1120 HydrophobicContact CB-CD1 3.91Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.48Å; L1116-I1120 PolarHBondContact O-N 3.27Å; T1117-I1120 PolarHBondContact O-N 3.36Å; I1120-R1124 HydrophobicContact CG2-CG 4.49Å; I1120-R1124 VanDerWaalsContact O-CB 3.3Å; I1120-R1124 WeakPolarHBondContact O-CB 3.49Å; I1120-R1124 VanDerWaalsContact O-CG 3.31Å; I1120-R1124 WeakPolarHBondContact O-CG 3.41Å; I1120-R1124 PolarHBondContact O-N 3.03Å
1121	L	96.2	Very high	91	Very high	81 Å²	81	57.4 Å²	57.4	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-45.4	176.9	-70.1	170	0	0	0	112.1	L984 T1117 L1119 R1124 D1125	L984-L1121 HydrophobicContact CD2-CD2 4.28Å; T1117-L1121 HydrophobicContact CG2-CD1 4.07Å; T1117-L1121 HydrophobicContact CG2-CG 4.48Å; T1117-L1121 WeakPolarHBondContact O-CG 3.5Å; T1117-L1121 PolarHBondContact O-N 3.34Å; L1119-L1121 VanDerWaalsContact C-N 3.31Å; L1119-L1121 PolarHBondContact O-N 2.97Å; L1121-R1124 PolarHBondContact O-N 2.86Å; L1121-D1125 PolarHBondContact O-N 2.99Å
1122	V	94.6	Very high	88.6	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.218	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-49.3	176.9	168.3	0	0	0	0	111.5	I583 T585 T944 P1118 L1119 R1124 D1125 Q1126	I583-V1122 HydrophobicContact CB-CG2 4.49Å; I583-V1122 HydrophobicContact CD1-CG2 3.55Å; I583-V1122 HydrophobicContact CG2-CG2 4.39Å; T585-V1122 HydrophobicContact CG2-CG1 3.81Å; T944-V1122 HydrophobicContact CG2-CB 4.24Å; T944-V1122 HydrophobicContact CG2-CG1 3.88Å; P1118-V1122 WeakPolarHBondContact O-CG2 3.06Å; P1118-V1122 PolarHBondContact O-N 2.93Å; L1119-V1122 PolarHBondContact O-N 3.33Å; V1122-R1124 PolarHBondContact O-N 3.17Å; V1122-D1125 PolarHBondContact O-N 2.93Å; V1122-Q1126 VanDerWaalsContact CG1-OE1 3.24Å; V1122-Q1126 WeakPolarHBondContact O-CG 3.04Å; V1122-Q1126 PolarHBondContact O-N 3.47Å; V1122-Q1126 PolarHBondContact O-OE1 2.91Å
1123	A	93.7	Very high	88.1	Confident	1 Å²	1	62 Å²	62	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-44.6	176.7	0	0	0	0	0	112.2	E939 V940 E943 L1119 D1125 Q1126 A1127	E939-A1123 HydrophobicContact CB-CB 4.41Å; E939-A1123 WeakPolarHBondContact O-CB 3.5Å; V940-A1123 HydrophobicContact CG2-CB 4.12Å; E943-A1123 HydrophobicContact CB-CB 4.44Å; L1119-A1123 WeakPolarHBondContact O-CB 3.26Å; L1119-A1123 PolarHBondContact O-N 3.42Å; A1123-D1125 PolarHBondContact O-N 3.41Å; A1123-Q1126 PolarHBondContact O-N 2.72Å; A1123-A1127 WeakPolarHBondContact O-CB 3.45Å; A1123-A1127 PolarHBondContact O-N 3.06Å
1124	R	91.8	Very high	87.6	Confident	43 Å²	43	63.2 Å²	63.2	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-37.3	178.5	-79.9	-58.4	-161.2	117.5	0.3	113.6	D933 G934 G935 E939 I1120 L1121 V1122 R1128	D933-R1124 VanDerWaalsContact O-CZ 3.27Å; D933-R1124 PolarHBondContact O-NH2 2.86Å; D933-R1124 VanDerWaalsContact O-NH2 3.15Å; G934-R1124 WeakPolarHBondContact O-CG 3.38Å; G934-R1124 PolarHBondContact O-NE 2.82Å; G935-R1124 VanDerWaalsContact CA-NH2 3.26Å; E939-R1124 VanDerWaalsContact OE2-CD 3.28Å; E939-R1124 WeakPolarHBondContact OE2-CD 3.42Å; E939-R1124 IonicContact OE2-NE 3.6Å; E939-R1124 PolarHBondContact OE2-NE 3.19Å; I1120-R1124 HydrophobicContact CG2-CG 4.49Å; I1120-R1124 VanDerWaalsContact O-CB 3.3Å; I1120-R1124 WeakPolarHBondContact O-CB 3.49Å; I1120-R1124 VanDerWaalsContact O-CG 3.31Å; I1120-R1124 WeakPolarHBondContact O-CG 3.41Å; I1120-R1124 PolarHBondContact O-N 3.03Å; L1121-R1124 PolarHBondContact O-N 2.86Å; V1122-R1124 PolarHBondContact O-N 3.17Å; R1124-R1128 WeakPolarHBondContact O-CB 3.43Å; R1124-R1128 WeakPolarHBondContact O-CD 3.02Å; R1124-R1128 WeakPolarHBondContact O-CG 3.08Å; R1124-R1128 PolarHBondContact O-N 3.44Å; R1124-R1128 VanDerWaalsContact O-N 3.08Å
1125	D	91.2	Very high	87.1	Confident	77 Å²	77	62.2 Å²	62.2	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-73.9	-33.8	176.4	-72.3	-22.1	0	0	0	111.8	L1121 V1122 A1123 R1128 N1129	L1121-D1125 PolarHBondContact O-N 2.99Å; V1122-D1125 PolarHBondContact O-N 2.93Å; A1123-D1125 PolarHBondContact O-N 3.41Å; D1125-R1128 PolarHBondContact O-N 3.3Å; D1125-R1128 IonicContact OD1-CZ 3.81Å; D1125-R1128 IonicContact OD1-NH1 2.75Å; D1125-R1128 PolarHBondContact OD1-NH1 3.48Å; D1125-N1129 PolarHBondContact O-N 3.42Å; D1125-N1129 VanDerWaalsContact O-N 3.12Å; D1125-N1129 PolarHBondContact O-ND2 3.4Å
1126	Q	87.2	Confident	86.5	Confident	47 Å²	47	64.2 Å²	64.2	22%	0.22	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-41.7	172	-73.1	171.3	-51.4	0	0	112.4	E943 V1122 A1123 R1128 N1129 Q1130	E943-Q1126 HydrophobicContact CG-CB 4.38Å; E943-Q1126 VanDerWaalsContact OE2-CD 3.25Å; E943-Q1126 PolarHBondContact OE2-NE2 3.43Å; E943-Q1126 PolarHBondContact OE2-OE1 3.49Å; V1122-Q1126 VanDerWaalsContact CG1-OE1 3.24Å; V1122-Q1126 WeakPolarHBondContact O-CG 3.04Å; V1122-Q1126 PolarHBondContact O-N 3.47Å; V1122-Q1126 PolarHBondContact O-OE1 2.91Å; A1123-Q1126 PolarHBondContact O-N 2.72Å; Q1126-R1128 PolarHBondContact O-N 2.94Å; Q1126-N1129 PolarHBondContact O-N 3.44Å; Q1126-Q1130 WeakPolarHBondContact O-CG 3.38Å; Q1126-Q1130 PolarHBondContact O-N 2.59Å; Q1126-Q1130 VanDerWaalsContact O-N 3.08Å
1127	A	82.3	Confident	85.8	Confident	29 Å²	29	67.9 Å²	67.9	24%	0.24	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-39.2	174.6	0	0	0	0	0	112.4	A1123 N1129 Q1130 T1131	A1123-A1127 WeakPolarHBondContact O-CB 3.45Å; A1123-A1127 PolarHBondContact O-N 3.06Å; A1127-N1129 VanDerWaalsContact C-N 3.3Å; A1127-N1129 PolarHBondContact O-N 2.67Å; A1127-Q1130 PolarHBondContact O-N 3.32Å; A1127-T1131 PolarHBondContact O-N 3.24Å; A1127-T1131 PolarHBondContact O-OG1 2.67Å
1128	R	82.4	Confident	85	Confident	136 Å²	136	70.1 Å²	70.1	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-37.6	172.4	-76.7	165.3	176.2	155	0.2	112.6	R1124 D1125 Q1126 Q1130 T1131 Q1132	R1124-R1128 WeakPolarHBondContact O-CB 3.43Å; R1124-R1128 WeakPolarHBondContact O-CD 3.02Å; R1124-R1128 WeakPolarHBondContact O-CG 3.08Å; R1124-R1128 PolarHBondContact O-N 3.44Å; R1124-R1128 VanDerWaalsContact O-N 3.08Å; D1125-R1128 PolarHBondContact O-N 3.3Å; D1125-R1128 IonicContact OD1-CZ 3.81Å; D1125-R1128 IonicContact OD1-NH1 2.75Å; D1125-R1128 PolarHBondContact OD1-NH1 3.48Å; Q1126-R1128 PolarHBondContact O-N 2.94Å; R1128-Q1130 VanDerWaalsContact C-N 3.34Å; R1128-T1131 PolarHBondContact O-N 3.02Å; R1128-Q1132 PolarHBondContact O-NE2 3.08Å
1129	N	80.4	Confident	84.1	Confident	112 Å²	112	71.6 Å²	71.6	60%	0.599	36%	0.36	S	S	*	.	H	α-helix	trans	-77.5	-18.2	179.1	-66.1	-16.3	0	0	0	113.1	D1125 Q1126 A1127	D1125-N1129 PolarHBondContact O-N 3.42Å; D1125-N1129 VanDerWaalsContact O-N 3.12Å; D1125-N1129 PolarHBondContact O-ND2 3.4Å; Q1126-N1129 PolarHBondContact O-N 3.44Å; A1127-N1129 VanDerWaalsContact C-N 3.3Å; A1127-N1129 PolarHBondContact O-N 2.67Å
1130	Q	72.6	Confident	83.1	Confident	100 Å²	100	76.5 Å²	76.5	47%	0.467	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.8	170.4	-68.5	171.9	43.1	0	0	113.2	E943 Q1126 A1127 R1128	E943-Q1130 PolarHBondContact OE1-NE2 2.74Å; Q1126-Q1130 WeakPolarHBondContact O-CG 3.38Å; Q1126-Q1130 PolarHBondContact O-N 2.59Å; Q1126-Q1130 VanDerWaalsContact O-N 3.08Å; A1127-Q1130 PolarHBondContact O-N 3.32Å; R1128-Q1130 VanDerWaalsContact C-N 3.34Å
1131	T	63.9	Low	82	Confident	123 Å²	123	82.8 Å²	82.8	76%	0.755	42%	0.416	S	S	*	.			trans	-106.9	0.4	-175.8	-47.9	0	0	0	0	112.8	A1127 R1128	A1127-T1131 PolarHBondContact O-N 3.24Å; A1127-T1131 PolarHBondContact O-OG1 2.67Å; R1128-T1131 PolarHBondContact O-N 3.02Å
1132	Q	47.7	Very low	80.7	Confident	209 Å²	209	83 Å²	83	98%	0.977	42%	0.415	S	S	*	.			trans	-111.3	0	179.7	-77.5	170.6	91.5	0	0	111.2	R1128	R1128-Q1132 PolarHBondContact O-NE2 3.08Å

Retrieved 1,132 of 1,132 residues in 280.6 ms (Link to these results)

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