A0A077Z8J7_TRITR Loading...

Amino acid permease

AlphaFold DB , UniProt , Accession A0A077Z8J7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,102 aa.

						>A0A077Z8J7_TRITR|A0A077Z8J7
MDNCTKDQVAKPGRSEKKEKRRSKDGHWDESKPLNRKESDMFHKLSQRSFGHGQGLSLYEDDVTSMPTIAAYLRSFTLPGPKEHEEADGRKHAGLGTLIGVYLPTVQHILGVQMFLRLFWIVGIAGIGESFSMVLLCCICTFLTSISISAIATNGVIESGGAYFMISRNLGPEFGGAVGILYYFANAFATSMYLVGGVEILLMYLAPSLPQFGDPIARRETDVFNNFRVYASALLLLEFCIVAMGVKFVQFFAPISLACVVMSILSIYVGAFVTSDSTSPEICMLGNRLLKQFPSEQTNVSNWCTKAVGSPIWSAYCKRSNESGMVECDPFFNQNTLSLTAGIPGFSSALFSENFPSSYMEHGEVTPGIAGVNSREVTQDITTNFFLLLAIFYPSVTGIFTGANMSGDLKEPHRSIPVGTIAAQMTTSFIYLSFVLVFGGTIRGALLRDKYGESLENNMVVALLGWPSKWILLIGSFTSTFGAALQCLCSAPRLLQSIAKDDVIPFLREFSSVTKRNEPFKALLITTAVAECAILIGGIDYIAPVVDFFFLMCYCFVNLVCALQTLLRAPNWRPRYRFYHWSLSLLGALLCLFIMFSTHWYYALIVCVLCATIYKYIEYKGAKKEWGDGLRGFALSTAQYSLLQIEDSVHTHPKNWRPQLLILLKVDKRSDKVNAKALQFAHQLKAGRGLTIVATILEGNLADHDTQELMEVVKLRLKQDVQDSKVRGFVQVVVAEHLSQNVSTLIQSVGIGGLRPNTIMVGWPYSWKDSIHQADPHYWNFLDAIHRAATADMCLLVPKGLLDFPDSNNRVHGTIDVWWIIHDGGLLLLLPFLLHQHKVWRQCKLRVFTVAQMHDNSVKMKQDLENWVYQLRIDATVDVVEFADSTISAYTYERTLIMEERTRLALDLHLSSREYLQEPQLLADRHRRRLHAHRDDGSSDASDQKSPTVIEQPVDPVYKSSQPEDGEHFDEKPSSSNPSLDGGDQADEKTDSAETEDREGSATNGNNRVRFDISSTNEETKKKKFARLDREKVRKMNTAMKLNEAIKEKSSDSQLIILNLPRPPKMRRGLPNYMDYLEVLTEGLERVLLVRGSGKEVITMYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	38.6	Very low	218 Å²	218	154.5 Å²	154.5	100%	1.074	83%	0.83	S	S	*	*				0	61.3	0	-60.3	-179.9	-179.7	0	0	108.3
2	D	36.7	Very low	38.5	Very low	143 Å²	143	152.9 Å²	152.9	77%	0.765	83%	0.834	S	S	*	*				54.1	121.6	70.4	-19.8	-42.6	0	0	0	109.8
3	N	44.9	Very low	38.5	Very low	172 Å²	172	147.5 Å²	147.5	92%	0.92	84%	0.835	S	S	*	*			cis	-141.5	173.7	28.9	-109.3	-40.1	0	0	0	114.4
4	C	35.7	Very low	38.1	Very low	107 Å²	107	152.8 Å²	152.8	72%	0.723	84%	0.835	S	S	*	*			trans	-131.8	131.1	-174.6	179.1	0	0	0	0	113.6
5	T	45.1	Very low	37.9	Very low	134 Å²	134	150.2 Å²	150.2	82%	0.822	83%	0.833	S	S	*	*			trans	-154.9	115	161.5	33.4	0	0	0	0	106.9
6	K	38.3	Very low	37.6	Very low	182 Å²	182	150.8 Å²	150.8	79%	0.791	83%	0.827	S	S	*	*				69.9	102.4	66.8	-75.5	-168.8	174.1	-178.5	0	114.4
7	D	40.2	Very low	37.5	Very low	140 Å²	140	154.4 Å²	154.4	75%	0.749	83%	0.833	S	S	*	*			trans	167.1	147.2	135.6	-92.3	-15.9	0	0	0	109.6
8	Q	37.6	Very low	37.3	Very low	162 Å²	162	155.9 Å²	155.9	76%	0.757	83%	0.83	S	S	*	*			cis	-156.3	152.4	-19.1	-138.6	172.9	81.6	0	0	108.4
9	V	36.1	Very low	37	Very low	149 Å²	149	154.8 Å²	154.8	90%	0.903	82%	0.82	S	S	*	*			trans	-115.6	122.5	179.8	174.9	0	0	0	0	110.8
10	A	39.2	Very low	36.8	Very low	90 Å²	90	155.9 Å²	155.9	74%	0.744	82%	0.817	S	S	*	*			trans	-141.7	103.5	-178.3	0	0	0	0	0	114.1
11	K	35.8	Very low	36.4	Very low	202 Å²	202	159.8 Å²	159.8	88%	0.878	82%	0.821	S	S	*	*			trans	24.2	134.8	150.6	-62.4	177.3	179	176.2	0	121.2
12	P	37.1	Very low	36.2	Very low	136 Å²	136	161.7 Å²	161.7	88%	0.883	82%	0.816	S	S	*	*			trans	-77.6	151.5	170	34.2	-35.4	0	0	0	113.3
13	G	39.4	Very low	35.8	Very low	82 Å²	82	159.3 Å²	159.3	85%	0.845	81%	0.811	S	S	*	*			trans	-115.6	151.7	173.2	0	0	0	0	0	112.7
14	R	32	Very low	35.3	Very low	222 Å²	222	160.9 Å²	160.9	84%	0.838	81%	0.81	S	S	*	*			trans	-130.2	118.7	-168.5	174.2	-177.7	171.1	177.8	-3	112.5	E16	R14-E16 IonicContact NH2-OE1 3.69Å
15	S	35.9	Very low	35.2	Very low	114 Å²	114	163.1 Å²	163.1	80%	0.797	81%	0.814	S	S	*	*			trans	-156.9	92	163.6	45.8	0	0	0	0	109.4
16	E	33.1	Very low	34.6	Very low	159 Å²	159	160.4 Å²	160.4	74%	0.743	81%	0.813	S	S	*	*				42.6	102	96.7	-72.5	-162	175	0	0	115.7	R14	R14-E16 IonicContact NH2-OE1 3.69Å
17	K	36	Very low	34.2	Very low	213 Å²	213	158.4 Å²	158.4	93%	0.926	81%	0.806	S	S	*	*			trans	-146.8	143.8	134.6	-114.4	165.5	-173.6	173.5	0	111.4
18	K	33.6	Very low	33.8	Very low	181 Å²	181	163.5 Å²	163.5	79%	0.787	82%	0.815	S	S	*	*			trans	-56.6	155	172.8	-63.9	167.7	-176	-177.2	0	110.2
19	E	31.3	Very low	33.7	Very low	135 Å²	135	161.5 Å²	161.5	63%	0.631	81%	0.81	S	S	*	*			cis	-154.2	-179	2.9	-120.3	163.2	64.6	0	0	107
20	K	33.1	Very low	33.6	Very low	177 Å²	177	162.7 Å²	162.7	77%	0.77	81%	0.805	S	S	*	*			cis	-149.9	-172.9	18.9	-146.2	149.6	-176.4	123.7	0	110.3
21	R	27.2	Very low	33.4	Very low	238 Å²	238	163.2 Å²	163.2	90%	0.898	80%	0.803	S	S	*	*			trans	-136.1	145.8	170.3	-77.4	-177.6	173.3	178.3	-3.6	111.6
22	R	32.1	Very low	33.3	Very low	257 Å²	257	163.1 Å²	163.1	97%	0.97	80%	0.803	S	S	*	*			trans	-143.6	112.3	143.5	-102.7	-172.4	175.2	179.7	-1	108.6
23	S	27.4	Very low	33.2	Very low	94 Å²	94	162.4 Å²	162.4	66%	0.657	80%	0.799	S	S	*	*			trans	-89.9	158.6	165.1	50.2	0	0	0	0	110
24	K	35.6	Very low	32.9	Very low	205 Å²	205	166.2 Å²	166.2	89%	0.891	80%	0.799	S	S	*	*			trans	-151.7	145.5	144.4	-114.9	-171.4	177.8	-167.3	0	109
25	D	32.2	Very low	33	Very low	153 Å²	153	162.2 Å²	162.2	82%	0.818	79%	0.794	S	S	*	*			trans	-96.9	157.2	-160.8	-42.5	-88.1	0	0	0	111.5
26	G	34.4	Very low	32.8	Very low	77 Å²	77	168.9 Å²	168.9	79%	0.794	80%	0.802	S	S	*	*			trans	-175.6	67.8	-173.7	0	0	0	0	0	113.4
27	H	29.5	Very low	32.9	Very low	140 Å²	140	170.9 Å²	170.9	65%	0.648	81%	0.808	S	S	*	*			trans	-92	134.4	173.4	150.7	79.1	0	0	0	110.1	D29	H27-D29 IonicContact CE1-OD1 3.56Å; H27-D29 PolarHBondContact CE1-OD1 3.37Å; H27-D29 IonicContact CE1-OD2 2.64Å; H27-D29 PolarHBondContact CE1-OD2 2.64Å; H27-D29 IonicContact ND1-OD1 3.4Å; H27-D29 IonicContact NE2-OD2 3.22Å
28	W	32.2	Very low	32.7	Very low	247 Å²	247	168.5 Å²	168.5	94%	0.936	80%	0.8	S	S	*	*			trans	-149.4	140.9	167.3	-81.4	111.4	0	0	0	110.7
29	D	35.4	Very low	32.7	Very low	121 Å²	121	165.3 Å²	165.3	65%	0.647	80%	0.8	S	S	*	*			trans	-98.1	163.3	-172.2	-78.1	-36.1	0	0	0	115	H27	H27-D29 IonicContact CE1-OD1 3.56Å; H27-D29 PolarHBondContact CE1-OD1 3.37Å; H27-D29 IonicContact CE1-OD2 2.64Å; H27-D29 PolarHBondContact CE1-OD2 2.64Å; H27-D29 IonicContact ND1-OD1 3.4Å; H27-D29 IonicContact NE2-OD2 3.22Å
30	E	32.8	Very low	32.9	Very low	173 Å²	173	166.1 Å²	166.1	81%	0.808	81%	0.809	S	S	*	*			trans	14.7	123.3	152.5	-58	-162.8	118.6	0	0	122.2
31	S	35.3	Very low	33	Very low	101 Å²	101	163.2 Å²	163.2	71%	0.706	80%	0.8	S	S	*	*				75.7	112.2	129.1	78.6	0	0	0	0	121.1
32	K	33.1	Very low	33.3	Very low	200 Å²	200	162 Å²	162	87%	0.87	80%	0.802	S	S	*	*				-177.3	129.2	119.1	-98.9	156.2	-173	168.8	0	111.1
33	P	34.7	Very low	33.3	Very low	122 Å²	122	158.5 Å²	158.5	79%	0.792	80%	0.796	S	S	*	*			trans	-93.5	147.1	177.7	35.5	-33	0	0	0	112.5
34	L	34.7	Very low	33.6	Very low	162 Å²	162	163.2 Å²	163.2	85%	0.848	80%	0.804	S	S	*	*			trans	-151.7	124.2	167	-126.3	114	0	0	0	114.2
35	N	34.3	Very low	33.4	Very low	138 Å²	138	159.8 Å²	159.8	74%	0.738	80%	0.795	S	S	*	*			trans	33.8	86.8	150.9	-62	-8.6	0	0	0	121.5	K37	N35-K37 PolarHBondContact O-N 2.83Å
36	R	31.2	Very low	33.4	Very low	253 Å²	253	158.7 Å²	158.7	96%	0.955	80%	0.799	S	S	*	*				32.9	79	113.7	-164.1	-175	-164.8	179.9	5	117.1
37	K	34.2	Very low	33.3	Very low	202 Å²	202	162.6 Å²	162.6	88%	0.878	80%	0.797	S	S	*	*			trans	-151.9	9.9	160	-124.5	175.7	-172.7	178.5	0	118	N35	N35-K37 PolarHBondContact O-N 2.83Å
38	E	33.2	Very low	33.4	Very low	162 Å²	162	167.4 Å²	167.4	76%	0.757	81%	0.809	S	S	*	*			trans	-103.9	10.8	-168.7	-65.5	-173.2	116.1	0	0	116.5	D40 M41	E38-D40 PolarHBondContact O-N 3.39Å; E38-D40 VanDerWaalsContact O-N 3.08Å; E38-M41 PolarHBondContact O-N 3.01Å
39	S	33.4	Very low	33.4	Very low	114 Å²	114	161 Å²	161	80%	0.797	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-13.1	-170.7	52.7	0	0	0	0	116.5
40	D	34.1	Very low	33.1	Very low	152 Å²	152	165.7 Å²	165.7	81%	0.813	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-5	-178.8	-72.6	-56.2	0	0	0	114.6	E38	E38-D40 PolarHBondContact O-N 3.39Å; E38-D40 VanDerWaalsContact O-N 3.08Å
41	M	35.2	Very low	33.1	Very low	116 Å²	116	160.3 Å²	160.3	57%	0.571	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-87	-21.3	-168.8	-161.1	165.1	-68.6	0	0	114.4	E38 H43 L45	E38-M41 PolarHBondContact O-N 3.01Å; M41-H43 PolarHBondContact O-N 3.33Å; M41-H43 VanDerWaalsContact O-N 3.14Å; M41-L45 HydrophobicContact CG-CD1 3.67Å; M41-L45 HydrophobicContact SD-CD1 3.91Å
42	F	33.5	Very low	32.8	Very low	214 Å²	214	165 Å²	165	94%	0.939	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-75.1	-2.4	-172	-131.1	-92.2	0	0	0	115.4
43	H	33.8	Very low	32.7	Very low	182 Å²	182	159.1 Å²	159.1	84%	0.843	82%	0.815	S	S	*	*	G	3₁₀ helix	trans	-108.7	1.3	-172.5	-142.7	-55.8	0	0	0	115.2	M41	M41-H43 PolarHBondContact O-N 3.33Å; M41-H43 VanDerWaalsContact O-N 3.14Å
44	K	33.6	Very low	32.6	Very low	194 Å²	194	162.8 Å²	162.8	84%	0.843	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.2	-3.4	-176.1	-96.5	175.2	-178.7	169.6	0	117.6
45	L	31.3	Very low	32.5	Very low	133 Å²	133	158.1 Å²	158.1	70%	0.696	81%	0.813	S	S	*	*			trans	-113.2	77	-174.2	-84.3	164.5	0	0	0	114.3	M41	M41-L45 HydrophobicContact CG-CD1 3.67Å; M41-L45 HydrophobicContact SD-CD1 3.91Å
46	S	31.4	Very low	32.4	Very low	129 Å²	129	159.9 Å²	159.9	90%	0.902	82%	0.821	S	S	*	*	S	Bend	trans	-146.5	23.5	151.8	-158.4	0	0	0	0	111.9
47	Q	33.1	Very low	32.5	Very low	160 Å²	160	153.4 Å²	153.4	75%	0.748	81%	0.814	S	S	*	*	S	Bend	trans	-116.3	133.7	170.9	-76.8	-167.7	-9.1	0	0	110.2
48	R	31	Very low	32.5	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	81%	0.808	S	S	*	*			trans	76.6	122.8	165.1	-62.8	176.9	169	172.8	-4	118.9
49	S	31.1	Very low	32.6	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	81%	0.81	S	S	*	*				100.9	71.9	129.9	-163	0	0	0	0	120.3
50	F	30.7	Very low	32.6	Very low	220 Å²	220	156.2 Å²	156.2	97%	0.965	82%	0.815	S	S	*	*			trans	-147.1	142.5	130.8	-106.7	-87.2	0	0	0	107.7
51	G	31.3	Very low	32.6	Very low	60 Å²	60	154.8 Å²	154.8	62%	0.619	81%	0.807	S	S	*	*			cis	164.1	91.7	-8.4	0	0	0	0	0	112.1
52	H	30	Very low	32.3	Very low	199 Å²	199	155.4 Å²	155.4	92%	0.921	81%	0.813	S	S	*	*			trans	58.2	117.3	176.8	-89.4	73.8	0	0	0	118.2
53	G	30.4	Very low	32.2	Very low	78 Å²	78	150.8 Å²	150.8	80%	0.804	80%	0.802	S	S	*	*			trans	-169.4	87.4	169.7	0	0	0	0	0	111.1
54	Q	33	Very low	32.2	Very low	199 Å²	199	148 Å²	148	93%	0.93	80%	0.798	S	S	*	*			trans	-74.4	127.4	170	-70	175	-43.3	0	0	108.9
55	G	31.9	Very low	32.3	Very low	64 Å²	64	143.7 Å²	143.7	66%	0.66	79%	0.792	S	S	*	*			trans	-171.4	86.3	-175.3	0	0	0	0	0	115.2
56	L	33.4	Very low	32.4	Very low	174 Å²	174	142 Å²	142	91%	0.911	78%	0.782	S	S	*	*			trans	50.4	111.6	161.7	-69.6	85.6	0	0	0	118.9
57	S	32.3	Very low	32.8	Very low	117 Å²	117	140 Å²	140	82%	0.818	77%	0.766	S	S	*	*			trans	-70.1	125.2	152.5	50.9	0	0	0	0	111.6
58	L	34.2	Very low	33.5	Very low	142 Å²	142	138.1 Å²	138.1	74%	0.743	77%	0.765	S	S	*	*			trans	-159.8	146.1	157	-143.3	72.5	0	0	0	109
59	Y	37.1	Very low	33.9	Very low	201 Å²	201	132.1 Å²	132.1	79%	0.788	75%	0.75	S	S	*	*			trans	68.2	51.4	-173.1	-54.2	-66	0	0	0	115.9
60	E	32.6	Very low	34.4	Very low	195 Å²	195	128.2 Å²	128.2	91%	0.911	73%	0.725	S	S	*	*			trans	-110.4	85.6	146.7	-177.1	167.5	-141.1	0	0	106.8
61	D	33.2	Very low	34.8	Very low	122 Å²	122	120.6 Å²	120.6	65%	0.652	70%	0.702	S	S	*	*			trans	-135.3	118.1	-174.1	-70.8	-72.5	0	0	0	111.5
62	D	28.8	Very low	35	Very low	128 Å²	128	121.6 Å²	121.6	68%	0.684	69%	0.688	S	S	*	*			trans	23.9	106.6	158.1	-65.5	-18.2	0	0	0	121.1	T64	D62-T64 PolarHBondContact OD1-OG1 3.32Å
63	V	32.7	Very low	35.4	Very low	117 Å²	117	115.1 Å²	115.1	71%	0.709	66%	0.66	S	S	*	*			trans	-109.8	7.8	150.5	-163.9	0	0	0	0	111.3	S65 M66	V63-S65 PolarHBondContact O-N 3.3Å; V63-M66 HydrophobicContact CG1-CB 4.46Å
64	T	33.3	Very low	35.6	Very low	125 Å²	125	119.9 Å²	119.9	77%	0.767	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	15.6	179.7	34.4	0	0	0	0	114.6	D62	D62-T64 PolarHBondContact OD1-OG1 3.32Å
65	S	36	Very low	35.8	Very low	103 Å²	103	112 Å²	112	72%	0.72	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.1	4.5	178.7	62.5	0	0	0	0	114.8	V63	V63-S65 PolarHBondContact O-N 3.3Å
66	M	32.4	Very low	36.2	Very low	96 Å²	96	109.7 Å²	109.7	47%	0.473	59%	0.592	S	S	.	*	S	Bend	trans	-73.2	132.8	175.2	-109.2	-161	167.3	0	0	111.3	V63 T68 A70	V63-M66 HydrophobicContact CG1-CB 4.46Å; M66-T68 PolarHBondContact O-N 2.63Å; M66-A70 HydrophobicContact SD-CB 4.49Å
67	P	39.8	Very low	36.6	Very low	87 Å²	87	104 Å²	104	57%	0.565	57%	0.565	S	S	*	*			trans	-63.2	131.8	172.4	26.6	-33.1	0	0	0	109.3	I69 A70	P67-I69 PolarHBondContact O-N 3.22Å; P67-A70 HydrophobicContact CG-CB 4.11Å; P67-A70 WeakPolarHBondContact O-CB 3.34Å; P67-A70 PolarHBondContact O-N 2.84Å
68	T	49	Very low	37.1	Very low	121 Å²	121	100.3 Å²	100.3	74%	0.742	54%	0.536	S	S	*	.	H	α-helix	trans	-52.1	-32.3	-177.3	44.9	0	0	0	0	113.1	M66 A70 A71 Y72	M66-T68 PolarHBondContact O-N 2.63Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.36Å; T68-A71 PolarHBondContact O-N 2.89Å; T68-Y72 WeakPolarHBondContact O-CB 3.45Å; T68-Y72 PolarHBondContact O-N 3.27Å
69	I	38.8	Very low	37.4	Very low	114 Å²	114	95.7 Å²	95.7	59%	0.585	52%	0.515	S	S	*	.	H	α-helix	trans	-57.2	-39.2	174.2	-55.6	173.3	0	0	0	112	P67 A71 Y72 L73	P67-I69 PolarHBondContact O-N 3.22Å; I69-A71 PolarHBondContact O-N 3.5Å; I69-Y72 WeakPolarHBondContact O-CB 3.46Å; I69-Y72 PolarHBondContact O-N 3.21Å; I69-L73 HydrophobicContact CG2-CD1 3.94Å; I69-L73 HydrophobicContact CG2-CG 4.17Å; I69-L73 WeakPolarHBondContact O-CB 3.18Å; I69-L73 VanDerWaalsContact O-CG 3.28Å; I69-L73 WeakPolarHBondContact O-CG 3.26Å; I69-L73 PolarHBondContact O-N 2.72Å
70	A	41.1	Very low	37.6	Very low	31 Å²	31	86.3 Å²	86.3	26%	0.256	48%	0.478	S	S	.	.	H	α-helix	trans	-70.1	-32.1	-179.4	0	0	0	0	0	112.9	M66 P67 T68 R74	M66-A70 HydrophobicContact SD-CB 4.49Å; P67-A70 HydrophobicContact CG-CB 4.11Å; P67-A70 WeakPolarHBondContact O-CB 3.34Å; P67-A70 PolarHBondContact O-N 2.84Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.36Å; A70-R74 WeakPolarHBondContact O-CG 3.25Å; A70-R74 PolarHBondContact O-N 3.08Å
71	A	39.5	Very low	38.1	Very low	59 Å²	59	78.9 Å²	78.9	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-71.6	-44.1	171.4	0	0	0	0	0	111.1	T68 I69 L73 R74 S75	T68-A71 PolarHBondContact O-N 2.89Å; I69-A71 PolarHBondContact O-N 3.5Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.42Å; A71-R74 PolarHBondContact O-N 2.98Å; A71-R74 VanDerWaalsContact O-N 3.1Å; A71-S75 PolarHBondContact O-N 2.77Å; A71-S75 VanDerWaalsContact O-N 3.07Å
72	Y	35.8	Very low	38.5	Very low	82 Å²	82	77.7 Å²	77.7	32%	0.322	44%	0.436	S	S	.	.	H	α-helix	trans	-57.5	-41.9	175.7	-166.8	-91.3	0	0	0	112.3	T68 I69 R74 S75 F76 I99 P254	T68-Y72 WeakPolarHBondContact O-CB 3.45Å; T68-Y72 PolarHBondContact O-N 3.27Å; I69-Y72 WeakPolarHBondContact O-CB 3.46Å; I69-Y72 PolarHBondContact O-N 3.21Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 3.18Å; Y72-S75 PolarHBondContact O-OG 3.49Å; Y72-S75 VanDerWaalsContact O-OG 3.06Å; Y72-F76 HydrophobicContact CD1-CD2 4.22Å; Y72-F76 HydrophobicContact CD1-CE2 4.34Å; Y72-F76 HydrophobicContact CE1-CD2 4.14Å; Y72-F76 AromaticContact CE1-CE2 3.87Å; Y72-F76 HydrophobicContact CE1-CE2 3.87Å; Y72-F76 WeakPolarHBondContact O-CD2 3.19Å; Y72-F76 PolarHBondContact O-N 2.75Å; Y72-F76 VanDerWaalsContact O-N 3.11Å; Y72-I99 HydrophobicContact CD2-CD1 4Å; Y72-I99 HydrophobicContact CE2-CD1 3.99Å; Y72-P254 HydrophobicContact CE1-CB 3.86Å; Y72-P254 HydrophobicContact CE1-CG 4Å
73	L	38.2	Very low	39.3	Very low	63 Å²	63	76 Å²	76	33%	0.33	43%	0.425	S	S	.	.	H	α-helix	trans	-76.5	-14.7	177.2	-68.2	-178.1	0	0	0	114.4	I69 A71 F251	I69-L73 HydrophobicContact CG2-CD1 3.94Å; I69-L73 HydrophobicContact CG2-CG 4.17Å; I69-L73 WeakPolarHBondContact O-CB 3.18Å; I69-L73 VanDerWaalsContact O-CG 3.28Å; I69-L73 WeakPolarHBondContact O-CG 3.26Å; I69-L73 PolarHBondContact O-N 2.72Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.42Å; L73-F251 HydrophobicContact CD1-CD2 4.09Å; L73-F251 HydrophobicContact CD1-CE2 3.86Å; L73-F251 HydrophobicContact CD2-CD2 3.56Å; L73-F251 HydrophobicContact CD2-CE2 3.98Å; L73-F251 HydrophobicContact CG-CD2 4.47Å
74	R	35.5	Very low	39.9	Very low	177 Å²	177	74.2 Å²	74.2	67%	0.668	41%	0.408	S	S	*	.	H	α-helix	trans	-85.6	-42.9	171.7	-80.9	-176.2	179.7	175.3	2	112.4	A70 A71 Y72 F76 T77	A70-R74 WeakPolarHBondContact O-CG 3.25Å; A70-R74 PolarHBondContact O-N 3.08Å; A71-R74 PolarHBondContact O-N 2.98Å; A71-R74 VanDerWaalsContact O-N 3.1Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 3.18Å; R74-F76 PolarHBondContact O-N 2.78Å; R74-T77 PolarHBondContact O-N 3.11Å
75	S	36	Very low	40.6	Very low	35 Å²	35	74.5 Å²	74.5	25%	0.245	40%	0.401	C	S	.	.	H	α-helix	trans	-62.9	-30.8	172.5	62.9	0	0	0	0	111.4	A71 Y72 T77	A71-S75 PolarHBondContact O-N 2.77Å; A71-S75 VanDerWaalsContact O-N 3.07Å; Y72-S75 PolarHBondContact O-OG 3.49Å; Y72-S75 VanDerWaalsContact O-OG 3.06Å; S75-T77 PolarHBondContact O-N 3.35Å
76	F	40.7	Very low	41	Very low	14 Å²	14	77.2 Å²	77.2	6%	0.061	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	4.1	-78.6	134.7	-39.8	-73.8	0	0	0	117.7	Y72 R74 I99 Q250	Y72-F76 HydrophobicContact CD1-CD2 4.22Å; Y72-F76 HydrophobicContact CD1-CE2 4.34Å; Y72-F76 HydrophobicContact CE1-CD2 4.14Å; Y72-F76 AromaticContact CE1-CE2 3.87Å; Y72-F76 HydrophobicContact CE1-CE2 3.87Å; Y72-F76 WeakPolarHBondContact O-CD2 3.19Å; Y72-F76 PolarHBondContact O-N 2.75Å; Y72-F76 VanDerWaalsContact O-N 3.11Å; R74-F76 PolarHBondContact O-N 2.78Å; F76-I99 HydrophobicContact CD2-CG2 4.36Å; F76-I99 HydrophobicContact CE1-CG2 4.16Å; F76-I99 HydrophobicContact CE2-CG2 3.48Å; F76-I99 VanDerWaalsContact CE2-CG2 3.48Å; F76-I99 HydrophobicContact CZ-CG2 3.36Å; F76-Q250 HydrophobicContact CB-CB 4.09Å; F76-Q250 HydrophobicContact CD1-CB 4.26Å; F76-Q250 PolarHBondContact O-NE2 2.94Å; F76-Q250 PolarHBondContact O-OE1 3.44Å
77	T	41.1	Very low	41.5	Very low	54 Å²	54	75 Å²	75	33%	0.331	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-97	116	-149.9	65	0	0	0	0	114.6	R74 S75 P79 K247	R74-T77 PolarHBondContact O-N 3.11Å; S75-T77 PolarHBondContact O-N 3.35Å; T77-P79 WeakPolarHBondContact O-CD 3.48Å; T77-K247 HydrophobicContact CG2-CB 4.27Å; T77-K247 HydrophobicContact CG2-CD 3.81Å; T77-K247 HydrophobicContact CG2-CG 3.86Å
78	L	43.4	Very low	41.4	Very low	41 Å²	41	78.7 Å²	78.7	22%	0.215	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-55.6	119.9	170.5	-90.7	153.6	0	0	0	111.4	V246 Q250 D408	L78-V246 HydrophobicContact CD1-CG1 3.99Å; L78-Q250 VanDerWaalsContact CD1-NE2 3.32Å; L78-D408 VanDerWaalsContact CD2-OD2 3.23Å; L78-D408 WeakPolarHBondContact CD2-OD2 3.25Å
79	P	39.6	Very low	40.9	Very low	45 Å²	45	76.2 Å²	76.2	29%	0.292	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-66.1	148.6	162.8	-12.4	28.6	0	0	0	110	T77 E83 D408	T77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-E83 HydrophobicContact CB-CB 4.43Å; P79-D408 WeakPolarHBondContact CD-OD1 3.23Å
80	G	42.6	Very low	40.9	Very low	3 Å²	3	81.8 Å²	81.8	3%	0.031	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-77.1	152	174	0	0	0	0	0	112.4	K82 E83 H84	G80-K82 PolarHBondContact O-N 3.4Å; G80-E83 PolarHBondContact N-OE2 2.66Å; G80-E83 PolarHBondContact O-N 3.27Å; G80-H84 PolarHBondContact O-CD2 3.39Å; G80-H84 PolarHBondContact O-N 1.97Å
81	P	42.1	Very low	41	Very low	40 Å²	40	89.5 Å²	89.5	26%	0.26	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	33	177	34.2	-38.3	0	0	0	113.5	K500	P81-K500 PolarHBondContact O-NZ 2.49Å
82	K	41.9	Very low	41.3	Very low	96 Å²	96	95.2 Å²	95.2	42%	0.417	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-35.3	164.9	-82.5	-163.8	163.5	-150.6	0	111.1	G80 H84 E85 E86 V513	G80-K82 PolarHBondContact O-N 3.4Å; K82-H84 PolarHBondContact O-N 2.93Å; K82-E85 WeakPolarHBondContact O-CA 2.98Å; K82-E85 PolarHBondContact O-N 3.5Å; K82-E86 PolarHBondContact O-N 3.04Å; K82-V513 HydrophobicContact CD-CG2 4.09Å
83	E	45	Very low	42.1	Very low	94 Å²	94	92.9 Å²	92.9	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-24.4	169.6	-72	160.8	113.2	0	0	111	P79 G80 A87 N517	P79-E83 HydrophobicContact CB-CB 4.43Å; G80-E83 PolarHBondContact N-OE2 2.66Å; G80-E83 PolarHBondContact O-N 3.27Å; E83-A87 WeakPolarHBondContact O-CB 3.19Å; E83-A87 PolarHBondContact O-N 2.41Å; E83-N517 PolarHBondContact OE2-ND2 3.23Å
84	H	46	Very low	43.3	Very low	79 Å²	79	93 Å²	93	37%	0.366	48%	0.484	S	S	.	.	H	α-helix	trans	-75	-23.2	167.3	-73.9	-91	0	0	0	114.9	G80 K82 S159	G80-H84 PolarHBondContact O-CD2 3.39Å; G80-H84 PolarHBondContact O-N 1.97Å; K82-H84 PolarHBondContact O-N 2.93Å; H84-S159 PolarHBondContact ND1-OG 2.83Å
85	E	47.7	Very low	45.1	Very low	130 Å²	130	84.8 Å²	84.8	61%	0.607	45%	0.454	S	S	*	.	H	α-helix	trans	-87.6	-26.8	178.2	-67.5	169	177.9	0	0	111.5	K82 K500	K82-E85 WeakPolarHBondContact O-CA 2.98Å; K82-E85 PolarHBondContact O-N 3.5Å; E85-K500 IonicContact OE1-NZ 2.66Å; E85-K500 PolarHBondContact OE1-NZ 3.28Å
86	E	44.4	Very low	47.4	Very low	160 Å²	160	85 Å²	85	75%	0.748	46%	0.462	S	S	*	.	H	α-helix	trans	-98	-12	179.8	-66.3	178.2	-176.3	0	0	114.1	K82 D88	K82-E86 PolarHBondContact O-N 3.04Å; E86-D88 PolarHBondContact O-N 2.9Å
87	A	43.4	Very low	49.6	Very low	49 Å²	49	86.4 Å²	86.4	41%	0.405	47%	0.471	S	S	.	.			trans	-93.9	67.9	-176.7	0	0	0	0	0	113.8	E83 G89	E83-A87 WeakPolarHBondContact O-CB 3.19Å; E83-A87 PolarHBondContact O-N 2.41Å; A87-G89 PolarHBondContact O-N 2.63Å
88	D	38.1	Very low	51.8	Low	165 Å²	165	88.8 Å²	88.8	88%	0.882	48%	0.482	S	S	*	.			trans	-54.3	99.1	172.6	-97.1	-38.5	0	0	0	112.6	E86 R90	E86-D88 PolarHBondContact O-N 2.9Å; D88-R90 PolarHBondContact O-N 2.99Å
89	G	37.6	Very low	53.6	Low	70 Å²	70	88.8 Å²	88.8	72%	0.722	48%	0.481	S	S	*	.	S	Bend	trans	84.8	0.8	149.2	0	0	0	0	0	120.4	A87	A87-G89 PolarHBondContact O-N 2.63Å
90	R	40	Very low	55.4	Low	231 Å²	231	86.7 Å²	86.7	87%	0.872	47%	0.467	S	S	*	.			trans	-138.9	5.3	-172.5	-69.9	-166.8	-178.8	178.1	2.2	120.2	D88	D88-R90 PolarHBondContact O-N 2.99Å
91	K	43.2	Very low	57.5	Low	193 Å²	193	86.5 Å²	86.5	84%	0.839	47%	0.466	S	S	*	.			trans	-117.9	93.9	175.2	-73.2	-177.5	-179.8	173.8	0	111.2
92	H	44.6	Very low	59.9	Low	179 Å²	179	87 Å²	87	83%	0.829	46%	0.463	S	S	*	.			trans	-76.4	139.2	-178.6	-73.3	-67.8	0	0	0	113.4	G94	H92-G94 PolarHBondContact O-N 3Å
93	A	54.1	Low	62	Low	33 Å²	33	84.2 Å²	84.2	27%	0.273	45%	0.453	S	S	.	.			trans	-41.3	122.2	157.6	0	0	0	0	0	112.2	G407 D408 L409	A93-G407 WeakPolarHBondContact CB-O 2.95Å; A93-D408 CarbonylContact C-O 3.08Å; A93-D408 VanDerWaalsContact CB-C 3.49Å; A93-D408 WeakPolarHBondContact CB-O 3.48Å; A93-L409 WeakPolarHBondContact CB-O 3.36Å
94	G	63.2	Low	63.8	Low	65 Å²	65	80.1 Å²	80.1	67%	0.67	43%	0.434	S	S	*	.			trans	-112.1	-7.4	-167.5	0	0	0	0	0	116.1	H92 D408	H92-G94 PolarHBondContact O-N 3Å; G94-D408 PolarHBondContact N-O 3.23Å; G94-D408 VanDerWaalsContact N-O 3.12Å
95	L	72.7	Confident	65.8	Low	4 Å²	4	76.4 Å²	76.4	2%	0.021	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-78.5	134.5	-177.7	-75.4	167.2	0	0	0	111.9	I99 M405 D408 L409 K410	L95-I99 HydrophobicContact CD2-CB 3.84Å; L95-I99 HydrophobicContact CD2-CG2 3.54Å; L95-M405 HydrophobicContact CD1-CE 3.5Å; L95-D408 WeakPolarHBondContact CB-O 3.31Å; L95-D408 HydrophobicContact CD1-CB 3.78Å; L95-D408 PolarHBondContact N-O 3.46Å; L95-L409 HydrophobicContact CB-CD2 3.98Å; L95-L409 WeakPolarHBondContact O-CA 3.25Å; L95-K410 PolarHBondContact O-N 3.17Å
96	G	83.6	Confident	67.8	Low	40 Å²	40	70.6 Å²	70.6	41%	0.412	39%	0.39	S	S	.	.			trans	-93	165.5	166.8	0	0	0	0	0	112.2	L98 I99 G100	G96-L98 VanDerWaalsContact C-N 3.25Å; G96-L98 PolarHBondContact O-N 2.91Å; G96-I99 PolarHBondContact O-N 3.32Å; G96-G100 PolarHBondContact O-N 3.2Å
97	T	88.5	Confident	69.7	Low	43 Å²	43	63.7 Å²	63.7	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-45.1	-42	-176	-51.4	0	0	0	0	114.9	V101 Y102 S415 V418	T97-V101 WeakPolarHBondContact O-CB 3.26Å; T97-V101 PolarHBondContact O-N 3.16Å; T97-Y102 PolarHBondContact O-N 3.05Å; T97-S415 WeakPolarHBondContact OG1-CA 3.46Å; T97-S415 WeakPolarHBondContact OG1-CB 3.37Å; T97-S415 PolarHBondContact OG1-OG 3.01Å; T97-V418 HydrophobicContact CG2-CB 4.18Å; T97-V418 HydrophobicContact CG2-CG1 4.11Å
98	L	86.8	Confident	71.7	Confident	105 Å²	105	61.4 Å²	61.4	55%	0.55	34%	0.339	S	S	.	.	I	π-helix	trans	-65.6	-53.2	-177.1	-173.4	70.6	0	0	0	111.8	G96 Y102 L103	G96-L98 VanDerWaalsContact C-N 3.25Å; G96-L98 PolarHBondContact O-N 2.91Å; L98-Y102 HydrophobicContact CD1-CD1 3.59Å; L98-Y102 HydrophobicContact CD1-CE1 4.15Å; L98-Y102 HydrophobicContact CD1-CG 4.23Å; L98-Y102 PolarHBondContact O-N 3.33Å; L98-L103 HydrophobicContact CD1-CG 4.46Å; L98-L103 HydrophobicContact CG-CD1 4.27Å; L98-L103 HydrophobicContact CG-CG 4.32Å; L98-L103 WeakPolarHBondContact O-CG 3.45Å; L98-L103 PolarHBondContact O-N 2.99Å
99	I	80.5	Confident	74.2	Confident	41 Å²	41	53.5 Å²	53.5	21%	0.21	30%	0.297	C	S	.	.	I	π-helix	trans	-82.8	-35.6	-171.3	-54.6	179.1	0	0	0	111.4	Y72 F76 L95 G96 P104	Y72-I99 HydrophobicContact CD2-CD1 4Å; Y72-I99 HydrophobicContact CE2-CD1 3.99Å; F76-I99 HydrophobicContact CD2-CG2 4.36Å; F76-I99 HydrophobicContact CE1-CG2 4.16Å; F76-I99 HydrophobicContact CE2-CG2 3.48Å; F76-I99 VanDerWaalsContact CE2-CG2 3.48Å; F76-I99 HydrophobicContact CZ-CG2 3.36Å; L95-I99 HydrophobicContact CD2-CB 3.84Å; L95-I99 HydrophobicContact CD2-CG2 3.54Å; G96-I99 PolarHBondContact O-N 3.32Å; I99-P104 WeakPolarHBondContact O-CD 3.38Å; I99-P104 VanDerWaalsContact O-CG 3.26Å; I99-P104 WeakPolarHBondContact O-CG 3.42Å
100	G	77.2	Confident	76.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-92.8	-13.7	-176.2	0	0	0	0	0	116.2	G96	G96-G100 PolarHBondContact O-N 3.2Å
101	V	87.6	Confident	78.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-130	-58.1	-179	-172.9	0	0	0	0	111.7	T97 T105 L409 I416	T97-V101 WeakPolarHBondContact O-CB 3.26Å; T97-V101 PolarHBondContact O-N 3.16Å; V101-T105 WeakPolarHBondContact O-CB 3.31Å; V101-T105 PolarHBondContact O-N 2.87Å; V101-T105 VanDerWaalsContact O-N 3.14Å; V101-T105 PolarHBondContact O-OG1 2.65Å; V101-L409 HydrophobicContact CG2-CD1 3.54Å; V101-L409 HydrophobicContact CG2-CD2 3.66Å; V101-L409 HydrophobicContact CG2-CG 4.27Å; V101-I416 HydrophobicContact CG2-CG1 4.32Å
102	Y	91.1	Very high	80.3	Confident	50 Å²	50	30.2 Å²	30.2	20%	0.196	18%	0.183	C	C	.	.	I	π-helix	trans	-64.7	-59.6	-172.6	174.6	-92.9	0	0	0	112.4	T97 L98 T105 V106 A422 A423 T426	T97-Y102 PolarHBondContact O-N 3.05Å; L98-Y102 HydrophobicContact CD1-CD1 3.59Å; L98-Y102 HydrophobicContact CD1-CE1 4.15Å; L98-Y102 HydrophobicContact CD1-CG 4.23Å; L98-Y102 PolarHBondContact O-N 3.33Å; Y102-T105 PolarHBondContact O-N 3.31Å; Y102-T105 VanDerWaalsContact O-N 3.17Å; Y102-V106 HydrophobicContact CD1-CG2 4.32Å; Y102-V106 HydrophobicContact CD2-CG2 4.21Å; Y102-V106 HydrophobicContact CE1-CG2 4.07Å; Y102-V106 HydrophobicContact CE2-CG2 3.95Å; Y102-V106 HydrophobicContact CG-CG2 4.39Å; Y102-V106 WeakPolarHBondContact O-CG2 3.35Å; Y102-V106 PolarHBondContact O-N 3.36Å; Y102-A422 HydrophobicContact CD2-CB 3.85Å; Y102-A422 HydrophobicContact CE2-CB 4.06Å; Y102-A423 HydrophobicContact CD2-CB 3.94Å; Y102-A423 HydrophobicContact CE2-CB 4.35Å; Y102-T426 PolarHBondContact OH-OG1 3.24Å
103	L	86.7	Confident	82.4	Confident	38 Å²	38	21.8 Å²	21.8	20%	0.199	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-44.7	-176.6	-63	174.1	0	0	0	112.8	L98 T105 V106 Q107 L257	L98-L103 HydrophobicContact CD1-CG 4.46Å; L98-L103 HydrophobicContact CG-CD1 4.27Å; L98-L103 HydrophobicContact CG-CG 4.32Å; L98-L103 WeakPolarHBondContact O-CG 3.45Å; L98-L103 PolarHBondContact O-N 2.99Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 2.78Å; L103-V106 PolarHBondContact O-N 3.48Å; L103-Q107 WeakPolarHBondContact O-CB 3.19Å; L103-Q107 PolarHBondContact O-N 3.45Å; L103-L257 HydrophobicContact CB-CD2 3.77Å; L103-L257 HydrophobicContact CD2-CD2 3.72Å; L103-L257 HydrophobicContact CG-CD2 4.25Å
104	P	82.2	Confident	84.1	Confident	8 Å²	8	20.2 Å²	20.2	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-33.1	175.7	-24.2	35.4	0	0	0	113.9	I99 H108 T401 M405 Q486	I99-P104 WeakPolarHBondContact O-CD 3.38Å; I99-P104 VanDerWaalsContact O-CG 3.26Å; I99-P104 WeakPolarHBondContact O-CG 3.42Å; P104-H108 PolarHBondContact O-N 3.19Å; P104-T401 HydrophobicContact CB-CG2 4.12Å; P104-T401 WeakPolarHBondContact O-CG2 3.25Å; P104-M405 HydrophobicContact CB-SD 4.33Å; P104-M405 HydrophobicContact CG-SD 3.9Å; P104-Q486 PolarHBondContact O-NE2 3.38Å; P104-Q486 VanDerWaalsContact O-NE2 3.17Å
105	T	88.5	Confident	85.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.5	-43.6	177.8	-56.2	0	0	0	0	110.9	V101 Y102 L103 Q107 H108 I109 G402 A423	V101-T105 WeakPolarHBondContact O-CB 3.31Å; V101-T105 PolarHBondContact O-N 2.87Å; V101-T105 VanDerWaalsContact O-N 3.14Å; V101-T105 PolarHBondContact O-OG1 2.65Å; Y102-T105 PolarHBondContact O-N 3.31Å; Y102-T105 VanDerWaalsContact O-N 3.17Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 2.78Å; T105-Q107 PolarHBondContact O-N 2.8Å; T105-H108 PolarHBondContact O-N 3.17Å; T105-I109 HydrophobicContact CG2-CD1 3.74Å; T105-I109 HydrophobicContact CG2-CG1 4.48Å; T105-I109 VanDerWaalsContact O-CG1 3.27Å; T105-I109 WeakPolarHBondContact O-CG1 3.39Å; T105-I109 PolarHBondContact O-N 2.81Å; T105-G402 WeakPolarHBondContact OG1-CA 3.29Å; T105-G402 PolarHBondContact OG1-N 2.87Å; T105-G402 VanDerWaalsContact OG1-N 3.12Å; T105-A423 HydrophobicContact CG2-CB 3.75Å
106	V	89.4	Confident	86.1	Confident	9 Å²	9	17 Å²	17	6%	0.055	10%	0.098	C	C	.	.	H	α-helix	trans	-60.1	-44.4	174	171.2	0	0	0	0	111.2	Y102 L103 H108 I109 L110 L257 A423 T427	Y102-V106 HydrophobicContact CD1-CG2 4.32Å; Y102-V106 HydrophobicContact CD2-CG2 4.21Å; Y102-V106 HydrophobicContact CE1-CG2 4.07Å; Y102-V106 HydrophobicContact CE2-CG2 3.95Å; Y102-V106 HydrophobicContact CG-CG2 4.39Å; Y102-V106 WeakPolarHBondContact O-CG2 3.35Å; Y102-V106 PolarHBondContact O-N 3.36Å; L103-V106 PolarHBondContact O-N 3.48Å; V106-H108 PolarHBondContact O-N 2.88Å; V106-I109 PolarHBondContact O-N 3.38Å; V106-L110 HydrophobicContact CG1-CD1 3.45Å; V106-L110 VanDerWaalsContact CG1-CD1 3.45Å; V106-L110 HydrophobicContact CG1-CG 4.12Å; V106-L110 WeakPolarHBondContact O-CB 3.36Å; V106-L110 VanDerWaalsContact O-CG 3.3Å; V106-L110 WeakPolarHBondContact O-CG 3.23Å; V106-L110 PolarHBondContact O-N 3.23Å; V106-L257 HydrophobicContact CG1-CD1 4.15Å; V106-A423 HydrophobicContact CG2-CB 3.61Å; V106-T427 HydrophobicContact CG1-CG2 4.46Å; V106-T427 HydrophobicContact CG2-CG2 4.48Å
107	Q	85.5	Confident	86.5	Confident	15 Å²	15	15.2 Å²	15.2	7%	0.07	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-41.8	177.8	-176.7	-174.2	-34	0	0	112.9	L103 T105 A253 S256 L257	L103-Q107 WeakPolarHBondContact O-CB 3.19Å; L103-Q107 PolarHBondContact O-N 3.45Å; T105-Q107 PolarHBondContact O-N 2.8Å; Q107-A253 PolarHBondContact OE1-O 3.27Å; Q107-S256 PolarHBondContact NE2-OG 3.49Å; Q107-L257 HydrophobicContact CB-CB 4.5Å; Q107-L257 HydrophobicContact CB-CD1 4.2Å; Q107-L257 HydrophobicContact CB-CD2 4.44Å; Q107-L257 HydrophobicContact CG-CB 4.43Å
108	H	85.8	Confident	86.7	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-72.9	-36	179.8	-170.9	-53.5	0	0	0	112.5	P104 T105 V106 Y193 G398 T401 C487	P104-H108 PolarHBondContact O-N 3.19Å; T105-H108 PolarHBondContact O-N 3.17Å; V106-H108 PolarHBondContact O-N 2.88Å; H108-Y193 PolarHBondContact O-OH 3.16Å; H108-G398 WeakPolarHBondContact ND1-CA 3.28Å; H108-T401 HydrophobicContact CB-CG2 4.15Å; H108-T401 PolarHBondContact CD2-OG1 3.48Å; H108-C487 PolarHBondContact NE2-SG 2.81Å
109	I	89.7	Confident	87	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69.6	-46.3	178.5	-67.8	168.8	0	0	0	110.2	T105 V106 G111 S395 T397 T427 Y431	T105-I109 HydrophobicContact CG2-CD1 3.74Å; T105-I109 HydrophobicContact CG2-CG1 4.48Å; T105-I109 VanDerWaalsContact O-CG1 3.27Å; T105-I109 WeakPolarHBondContact O-CG1 3.39Å; T105-I109 PolarHBondContact O-N 2.81Å; V106-I109 PolarHBondContact O-N 3.38Å; I109-G111 PolarHBondContact O-N 2.91Å; I109-S395 VanDerWaalsContact CG2-O 3.3Å; I109-S395 WeakPolarHBondContact CG2-O 3.43Å; I109-T397 WeakPolarHBondContact CG1-O 3.38Å; I109-T427 HydrophobicContact CB-CG2 3.93Å; I109-T427 HydrophobicContact CD1-CG2 4.32Å; I109-T427 HydrophobicContact CG2-CG2 3.54Å; I109-Y431 HydrophobicContact CG2-CE2 3.93Å; I109-Y431 WeakPolarHBondContact CG2-OH 3.27Å; I109-Y431 PolarHBondContact O-OH 3.36Å
110	L	87.6	Confident	87.6	Confident	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.03	C	C	.	.	S	Bend	trans	-73.4	46.8	-177.1	-62.5	177	0	0	0	114.3	V106 M114 V260 I264 T427 I430 Y431 S479	V106-L110 HydrophobicContact CG1-CD1 3.45Å; V106-L110 VanDerWaalsContact CG1-CD1 3.45Å; V106-L110 HydrophobicContact CG1-CG 4.12Å; V106-L110 WeakPolarHBondContact O-CB 3.36Å; V106-L110 VanDerWaalsContact O-CG 3.3Å; V106-L110 WeakPolarHBondContact O-CG 3.23Å; V106-L110 PolarHBondContact O-N 3.23Å; L110-M114 HydrophobicContact CD2-CE 4.44Å; L110-M114 HydrophobicContact CD2-SD 3.81Å; L110-V260 HydrophobicContact CB-CG1 3.96Å; L110-V260 HydrophobicContact CD1-CG1 3.84Å; L110-I264 HydrophobicContact CD1-CD1 3.8Å; L110-I264 HydrophobicContact CD2-CD1 4.34Å; L110-T427 HydrophobicContact CD2-CG2 3.95Å; L110-T427 HydrophobicContact CG-CG2 4.06Å; L110-I430 HydrophobicContact CD2-CD1 4.35Å; L110-Y431 HydrophobicContact CD2-CE1 4.44Å; L110-S479 PolarHBondContact O-OG 3.06Å
111	G	78.7	Confident	88.4	Confident	2 Å²	2	6.3 Å²	6.3	2%	0.021	3%	0.031	C	C	.	.			trans	-83	-169.9	178.9	0	0	0	0	0	115.2	I109 Q113 M114	I109-G111 PolarHBondContact O-N 2.91Å; G111-Q113 VanDerWaalsContact C-N 3.32Å; G111-Q113 PolarHBondContact O-N 3.48Å; G111-Q113 VanDerWaalsContact O-N 3.09Å; G111-M114 PolarHBondContact O-N 3.42Å
112	V	83.2	Confident	88.8	Confident	1 Å²	1	6.4 Å²	6.4	1%	0.006	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-39.1	-166	70.1	0	0	0	0	116.2	M114 F115 L116 Y193 I200 T480 I539	V112-M114 PolarHBondContact O-N 3.43Å; V112-M114 VanDerWaalsContact O-N 3.14Å; V112-F115 PolarHBondContact O-N 3.19Å; V112-L116 HydrophobicContact CG2-CB 4.2Å; V112-L116 HydrophobicContact CG2-CD1 3.45Å; V112-L116 VanDerWaalsContact CG2-CD1 3.45Å; V112-L116 HydrophobicContact CG2-CG 3.73Å; V112-L116 PolarHBondContact O-N 3.31Å; V112-Y193 HydrophobicContact CB-CD1 4.35Å; V112-Y193 HydrophobicContact CG1-CD1 3.95Å; V112-Y193 HydrophobicContact CG1-CE1 4.41Å; V112-I200 HydrophobicContact CG2-CD1 4.26Å; V112-T480 HydrophobicContact CB-CG2 3.56Å; V112-T480 HydrophobicContact CG2-CG2 3.46Å; V112-T480 VanDerWaalsContact CG2-CG2 3.46Å; V112-I539 HydrophobicContact CG1-CD1 3.81Å
113	Q	87.9	Confident	88.9	Confident	2 Å²	2	4.1 Å²	4.1	1%	0.009	2%	0.023	C	C	.	.	H	α-helix	trans	-61.9	-28.3	-170.8	-61.3	-63.4	8.4	0	0	113	G111 F115 R117 L118	G111-Q113 VanDerWaalsContact C-N 3.32Å; G111-Q113 PolarHBondContact O-N 3.48Å; G111-Q113 VanDerWaalsContact O-N 3.09Å; Q113-F115 VanDerWaalsContact C-N 3.26Å; Q113-F115 PolarHBondContact O-N 2.96Å; Q113-R117 PolarHBondContact O-N 3.3Å; Q113-R117 VanDerWaalsContact O-N 3.08Å; Q113-L118 PolarHBondContact O-N 2.84Å
114	M	90.2	Very high	89.2	Confident	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-59.5	-36.8	175.2	-171.3	177.1	66.6	0	0	112.6	L110 G111 V112 L118 I264 I430 Y431 F434	L110-M114 HydrophobicContact CD2-CE 4.44Å; L110-M114 HydrophobicContact CD2-SD 3.81Å; G111-M114 PolarHBondContact O-N 3.42Å; V112-M114 PolarHBondContact O-N 3.43Å; V112-M114 VanDerWaalsContact O-N 3.14Å; M114-L118 HydrophobicContact CG-CD2 4.48Å; M114-L118 WeakPolarHBondContact O-CB 3.27Å; M114-I264 HydrophobicContact CE-CD1 3.98Å; M114-I264 HydrophobicContact CE-CG1 3.9Å; M114-I264 HydrophobicContact SD-CD1 4.42Å; M114-I430 HydrophobicContact SD-CG2 4.1Å; M114-Y431 HydrophobicContact CB-CE1 3.9Å; M114-Y431 HydrophobicContact CG-CD1 4.15Å; M114-Y431 HydrophobicContact CG-CE1 3.72Å; M114-Y431 HydrophobicContact SD-CD1 4.35Å; M114-Y431 HydrophobicContact SD-CE1 3.77Å; M114-F434 HydrophobicContact CE-CE2 4.35Å; M114-F434 HydrophobicContact CG-CD2 3.92Å; M114-F434 HydrophobicContact CG-CE2 3.92Å; M114-F434 HydrophobicContact SD-CD2 4.15Å; M114-F434 HydrophobicContact SD-CE2 3.74Å
115	F	89	Confident	89.8	Confident	1 Å²	1	1.9 Å²	1.9	0%	0.004	1%	0.011	C	C	.	.	H	α-helix	trans	-95.2	-41.7	-177.6	-60.6	-71.6	0	0	0	111.8	V112 Q113 I267 M459	V112-F115 PolarHBondContact O-N 3.19Å; Q113-F115 VanDerWaalsContact C-N 3.26Å; Q113-F115 PolarHBondContact O-N 2.96Å; F115-I267 HydrophobicContact CD1-CD1 4.25Å; F115-I267 HydrophobicContact CE1-CD1 4Å; F115-M459 VanDerWaalsContact C-CE 3.45Å; F115-M459 HydrophobicContact CB-CE 3.61Å; F115-M459 WeakPolarHBondContact O-CE 3.34Å
116	L	89.1	Confident	90	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-87	-23.6	-173.3	-79.8	-169	0	0	0	116.3	V112 F119 E199 I200 Y204 M459	V112-L116 HydrophobicContact CG2-CB 4.2Å; V112-L116 HydrophobicContact CG2-CD1 3.45Å; V112-L116 VanDerWaalsContact CG2-CD1 3.45Å; V112-L116 HydrophobicContact CG2-CG 3.73Å; V112-L116 PolarHBondContact O-N 3.31Å; L116-F119 WeakPolarHBondContact O-CE1 3.42Å; L116-E199 HydrophobicContact CD1-CB 4.16Å; L116-E199 HydrophobicContact CD1-CG 4.29Å; L116-I200 HydrophobicContact CD1-CD1 4.38Å; L116-I200 HydrophobicContact CD1-CG1 4.18Å; L116-I200 HydrophobicContact CD2-CD1 4.42Å; L116-I200 HydrophobicContact CD2-CG1 3.81Å; L116-I200 HydrophobicContact CG-CD1 4.27Å; L116-I200 HydrophobicContact CG-CG1 4.14Å; L116-Y204 HydrophobicContact CD2-CE2 3.86Å; L116-M459 HydrophobicContact CD2-CE 3.93Å
117	R	91.7	Very high	90.3	Very high	1 Å²	1	2 Å²	2	0%	0.004	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-23.4	-171.3	-65.7	-62.8	-177.8	-90.9	-2.3	115.5	Q113 F119 W120 I121 E199 I391 K450 D540	Q113-R117 PolarHBondContact O-N 3.3Å; Q113-R117 VanDerWaalsContact O-N 3.08Å; R117-F119 PolarHBondContact O-N 3.3Å; R117-W120 PolarHBondContact O-N 3.44Å; R117-W120 VanDerWaalsContact O-N 3.12Å; R117-I121 HydrophobicContact CB-CD1 4.22Å; R117-I121 WeakPolarHBondContact O-CD1 3.48Å; R117-I121 WeakPolarHBondContact O-CG1 3.37Å; R117-I121 PolarHBondContact O-N 3.23Å; R117-E199 IonicContact CZ-OE1 3.99Å; R117-E199 IonicContact CZ-OE2 2.9Å; R117-E199 IonicContact NH1-OE1 3.7Å; R117-E199 PolarHBondContact NH1-OE1 3.49Å; R117-E199 IonicContact NH1-OE2 2.71Å; R117-E199 IonicContact NH2-OE1 3.77Å; R117-E199 PolarHBondContact NH2-OE1 2.93Å; R117-E199 IonicContact NH2-OE2 2.88Å; R117-E199 PolarHBondContact NH2-OE2 3.22Å; R117-I391 HydrophobicContact CB-CG2 4.46Å; R117-I391 HydrophobicContact CG-CG2 4.3Å; R117-K450 VanDerWaalsContact NE-CE 3.3Å; R117-D540 IonicContact CZ-OD1 3.64Å; R117-D540 IonicContact CZ-OD2 2.72Å; R117-D540 IonicContact NE-OD1 3.36Å; R117-D540 PolarHBondContact NE-OD1 2.73Å; R117-D540 IonicContact NE-OD2 3.25Å; R117-D540 PolarHBondContact NE-OD2 2.98Å; R117-D540 IonicContact NH2-OD1 2.9Å; R117-D540 IonicContact NH2-OD2 2.75Å; R117-D540 PolarHBondContact NH2-OD2 3.06Å
118	L	92.6	Very high	90.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-58.3	-42.4	-177.8	-178.4	54.5	0	0	0	113.1	Q113 M114 W120 I121 V122 V134 F392 Y431 F434 V435 F438	Q113-L118 PolarHBondContact O-N 2.84Å; M114-L118 HydrophobicContact CG-CD2 4.48Å; M114-L118 WeakPolarHBondContact O-CB 3.27Å; L118-W120 PolarHBondContact O-N 3.3Å; L118-I121 PolarHBondContact O-N 3.35Å; L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.19Å; L118-V122 VanDerWaalsContact O-N 3.09Å; L118-V134 HydrophobicContact CD1-CG2 4.39Å; L118-F392 HydrophobicContact CD1-CD2 4.36Å; L118-F392 HydrophobicContact CD1-CE2 3.91Å; L118-Y431 HydrophobicContact CD2-CD1 4.19Å; L118-F434 HydrophobicContact CD2-CB 3.75Å; L118-F434 HydrophobicContact CD2-CD2 4.23Å; L118-V435 HydrophobicContact CD1-CG2 4.03Å; L118-F438 HydrophobicContact CB-CE2 4.31Å; L118-F438 HydrophobicContact CD2-CE2 4.12Å; L118-F438 HydrophobicContact CG-CD2 4.29Å; L118-F438 HydrophobicContact CG-CE2 4.03Å
119	F	93.2	Very high	91.1	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-63.9	-39.7	176.8	75.9	-84.5	0	0	0	112.4	L116 R117 V122 G123 F438 L447 V460 V461	L116-F119 WeakPolarHBondContact O-CE1 3.42Å; R117-F119 PolarHBondContact O-N 3.3Å; F119-V122 PolarHBondContact O-N 2.77Å; F119-G123 PolarHBondContact O-N 2.88Å; F119-F438 HydrophobicContact CB-CD2 3.92Å; F119-F438 HydrophobicContact CB-CE2 4.26Å; F119-F438 HydrophobicContact CB-CG 4.22Å; F119-L447 HydrophobicContact CB-CD2 4.08Å; F119-L447 HydrophobicContact CD2-CD2 4.49Å; F119-V460 HydrophobicContact CD2-CB 4.12Å; F119-V460 HydrophobicContact CD2-CG1 4.3Å; F119-V460 HydrophobicContact CE2-CB 3.84Å; F119-V460 HydrophobicContact CE2-CG1 4.43Å; F119-V460 HydrophobicContact CE2-CG2 3.86Å; F119-V460 HydrophobicContact CZ-CB 4.29Å; F119-V460 HydrophobicContact CZ-CG2 4.36Å; F119-V461 HydrophobicContact CB-CG2 3.84Å; F119-V461 HydrophobicContact CD1-CG2 3.34Å; F119-V461 HydrophobicContact CE1-CG2 4.06Å; F119-V461 HydrophobicContact CG-CG2 3.69Å
120	W	93.5	Very high	91.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-68.4	-39.7	178.5	174.6	78.5	0	0	0	112.3	R117 L118 V122 G123 I124 I381 T383 L388 I391 L447 K450	R117-W120 PolarHBondContact O-N 3.44Å; R117-W120 VanDerWaalsContact O-N 3.12Å; L118-W120 PolarHBondContact O-N 3.3Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.17Å; W120-G123 PolarHBondContact O-N 3.05Å; W120-G123 VanDerWaalsContact O-N 3.16Å; W120-I124 HydrophobicContact CD2-CD1 4.24Å; W120-I124 VanDerWaalsContact CE2-CD1 3.47Å; W120-I124 HydrophobicContact CH2-CD1 4.45Å; W120-I124 HydrophobicContact CZ2-CD1 3.6Å; W120-I124 PolarHBondContact O-N 2.8Å; W120-I381 HydrophobicContact CH2-CD1 3.96Å; W120-I381 HydrophobicContact CH2-CG1 4.13Å; W120-I381 HydrophobicContact CZ2-CG1 4.3Å; W120-T383 HydrophobicContact CH2-CG2 3.92Å; W120-T383 HydrophobicContact CZ2-CG2 3.85Å; W120-L388 HydrophobicContact CE3-CD2 4.24Å; W120-L388 HydrophobicContact CH2-CD2 3.62Å; W120-L388 HydrophobicContact CZ3-CD2 3.44Å; W120-L388 VanDerWaalsContact CZ3-CD2 3.44Å; W120-I391 HydrophobicContact CH2-CD1 4.49Å; W120-I391 HydrophobicContact CZ3-CD1 4.28Å; W120-L447 WeakPolarHBondContact CA-O 3.3Å; W120-K450 HydrophobicContact CD2-CD 4.47Å; W120-K450 HydrophobicContact CD2-CG 4.41Å; W120-K450 HydrophobicContact CG-CB 4.3Å; W120-K450 HydrophobicContact CG-CG 4.23Å; W120-K450 HydrophobicContact CZ2-CD 4.38Å
121	I	94.2	Very high	91.7	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-42.7	170.9	-67.9	157.4	0	0	0	110.8	R117 L118 I124 A125 M133 L388 F392	R117-I121 HydrophobicContact CB-CD1 4.22Å; R117-I121 WeakPolarHBondContact O-CD1 3.48Å; R117-I121 WeakPolarHBondContact O-CG1 3.37Å; R117-I121 PolarHBondContact O-N 3.23Å; L118-I121 PolarHBondContact O-N 3.35Å; I121-I124 PolarHBondContact O-N 3.13Å; I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.23Å; I121-A125 PolarHBondContact O-N 2.97Å; I121-M133 HydrophobicContact CG2-SD 3.94Å; I121-L388 HydrophobicContact CG1-CD2 4.3Å; I121-F392 HydrophobicContact CD1-CB 3.94Å; I121-F392 HydrophobicContact CD1-CD2 4Å; I121-F392 HydrophobicContact CD1-CG 4.41Å
122	V	95	Very high	92.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-65.6	-37.6	175.2	177	0	0	0	0	111.5	L118 F119 W120 I124 G126 I127 V435 L447	L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.19Å; L118-V122 VanDerWaalsContact O-N 3.09Å; F119-V122 PolarHBondContact O-N 2.77Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.17Å; V122-I124 PolarHBondContact O-N 3.4Å; V122-G126 WeakPolarHBondContact O-CA 3.31Å; V122-G126 PolarHBondContact O-N 2.92Å; V122-I127 HydrophobicContact CG1-CG1 4.28Å; V122-V435 HydrophobicContact CG2-CB 4.2Å; V122-V435 HydrophobicContact CG2-CG1 4.13Å; V122-V435 HydrophobicContact CG2-CG2 3.97Å; V122-L447 HydrophobicContact CG1-CD1 4.31Å
123	G	92.7	Very high	93	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-34.2	177.2	0	0	0	0	0	114.7	F119 W120 L447 R448	F119-G123 PolarHBondContact O-N 2.88Å; W120-G123 PolarHBondContact O-N 3.05Å; W120-G123 VanDerWaalsContact O-N 3.16Å; G123-L447 VanDerWaalsContact CA-CB 3.48Å; G123-R448 WeakPolarHBondContact O-CG 3.43Å; G123-R448 PolarHBondContact O-NE 3.32Å; G123-R448 PolarHBondContact O-NH2 3.21Å
124	I	93.8	Very high	93.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-95.3	-47.5	-177.4	-64.4	-175.5	0	0	0	112.4	W120 I121 V122 G126 S358 Y359 T383 L388 R448	W120-I124 HydrophobicContact CD2-CD1 4.24Å; W120-I124 VanDerWaalsContact CE2-CD1 3.47Å; W120-I124 HydrophobicContact CH2-CD1 4.45Å; W120-I124 HydrophobicContact CZ2-CD1 3.6Å; W120-I124 PolarHBondContact O-N 2.8Å; I121-I124 PolarHBondContact O-N 3.13Å; V122-I124 PolarHBondContact O-N 3.4Å; I124-G126 VanDerWaalsContact C-N 3.29Å; I124-G126 PolarHBondContact O-N 3.44Å; I124-S358 CarbonylContact O-C 3.55Å; I124-S358 PolarHBondContact O-N 3.3Å; I124-Y359 HydrophobicContact CG2-CD1 3.81Å; I124-Y359 HydrophobicContact CG2-CE1 4.2Å; I124-T383 HydrophobicContact CD1-CG2 3.83Å; I124-T383 HydrophobicContact CG2-CG2 4.41Å; I124-L388 HydrophobicContact CB-CD1 4.19Å; I124-L388 HydrophobicContact CG2-CD1 3.94Å; I124-R448 HydrophobicContact CG1-CG 4.21Å
125	A	93.8	Very high	93.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-78.9	-14.1	179.5	0	0	0	0	0	112.7	I121 E129 M133 S357 L388	I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.23Å; I121-A125 PolarHBondContact O-N 2.97Å; A125-E129 HydrophobicContact CB-CB 4.12Å; A125-E129 WeakPolarHBondContact O-CB 3.46Å; A125-M133 HydrophobicContact CB-CE 4.29Å; A125-S357 WeakPolarHBondContact O-CA 3.4Å; A125-S357 WeakPolarHBondContact O-CB 3.44Å; A125-L388 HydrophobicContact CB-CD1 4.02Å
126	G	94.5	Very high	93.8	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	68.7	168	-170.1	0	0	0	0	0	112.2	V122 I124 G128 S130 N354 P356	V122-G126 WeakPolarHBondContact O-CA 3.31Å; V122-G126 PolarHBondContact O-N 2.92Å; I124-G126 VanDerWaalsContact C-N 3.29Å; I124-G126 PolarHBondContact O-N 3.44Å; G126-G128 VanDerWaalsContact C-N 3.32Å; G126-G128 PolarHBondContact O-N 3.18Å; G126-S130 VanDerWaalsContact O-CB 3.25Å; G126-S130 WeakPolarHBondContact O-CB 3.49Å; G126-S130 PolarHBondContact O-N 3.04Å; G126-S130 PolarHBondContact O-OG 3.26Å; G126-N354 CarbonylContact C-O 3.42Å; G126-N354 WeakPolarHBondContact CA-O 3.39Å; G126-P356 WeakPolarHBondContact CA-O 3.41Å
127	I	95.1	Very high	94	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.046	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-40.1	-175.4	-62.7	170.5	0	0	0	111.5	V122 S130 F131 F351 N354 F355 V435 L436	V122-I127 HydrophobicContact CG1-CG1 4.28Å; I127-S130 PolarHBondContact O-OG 3.5Å; I127-F131 WeakPolarHBondContact O-CB 3.22Å; I127-F131 PolarHBondContact O-N 3.34Å; I127-F351 HydrophobicContact CD1-CD1 3.62Å; I127-F351 HydrophobicContact CD1-CE1 4.16Å; I127-N354 HydrophobicContact CD1-CB 3.94Å; I127-N354 HydrophobicContact CG1-CB 4.17Å; I127-N354 WeakPolarHBondContact CG1-O 3.49Å; I127-N354 PolarHBondContact N-O 2.92Å; I127-F355 HydrophobicContact CB-CD2 4.46Å; I127-V435 HydrophobicContact CG2-CG1 4.29Å; I127-L436 HydrophobicContact CG2-CD2 3.87Å
128	G	92.8	Very high	94.1	Very high	22 Å²	22	16.8 Å²	16.8	23%	0.227	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-49.7	-175.3	0	0	0	0	0	113.9	G126 S132	G126-G128 VanDerWaalsContact C-N 3.32Å; G126-G128 PolarHBondContact O-N 3.18Å; G128-S132 WeakPolarHBondContact O-CB 3.39Å; G128-S132 PolarHBondContact O-N 3.16Å; G128-S132 PolarHBondContact O-OG 3.3Å
129	E	94.9	Very high	94.3	Very high	63 Å²	63	20.2 Å²	20.2	29%	0.294	11%	0.113	S	C	.	.	H	α-helix	trans	-77.3	-38.1	-179.5	-58.5	-178.1	-152.1	0	0	111.8	A125 S132 M133 S357 Y359 F385	A125-E129 HydrophobicContact CB-CB 4.12Å; A125-E129 WeakPolarHBondContact O-CB 3.46Å; E129-S132 WeakPolarHBondContact O-CB 3.32Å; E129-S132 PolarHBondContact O-N 2.88Å; E129-M133 VanDerWaalsContact O-CB 3.28Å; E129-M133 WeakPolarHBondContact O-CB 3.31Å; E129-M133 PolarHBondContact O-N 3.12Å; E129-S357 WeakPolarHBondContact OE1-CB 3.5Å; E129-S357 PolarHBondContact OE1-OG 3.02Å; E129-Y359 VanDerWaalsContact OE2-CE2 3.25Å; E129-Y359 WeakPolarHBondContact OE2-CE2 3.45Å; E129-Y359 VanDerWaalsContact OE2-CZ 3.32Å; E129-Y359 PolarHBondContact OE2-OH 3.29Å; E129-F385 HydrophobicContact CB-CD2 4.24Å; E129-F385 HydrophobicContact CB-CE2 4.2Å
130	S	95.2	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.8	-41.8	176.5	60.3	0	0	0	0	112.4	G126 I127 S132 M133 V134 V435	G126-S130 VanDerWaalsContact O-CB 3.25Å; G126-S130 WeakPolarHBondContact O-CB 3.49Å; G126-S130 PolarHBondContact O-N 3.04Å; G126-S130 PolarHBondContact O-OG 3.26Å; I127-S130 PolarHBondContact O-OG 3.5Å; S130-S132 VanDerWaalsContact C-N 3.31Å; S130-S132 PolarHBondContact O-N 2.98Å; S130-M133 PolarHBondContact O-N 3.16Å; S130-V134 VanDerWaalsContact O-CG2 3.29Å; S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.2Å; S130-V435 WeakPolarHBondContact OG-CG1 3.48Å
131	F	95.3	Very high	94.4	Very high	69 Å²	69	20.1 Å²	20.1	30%	0.303	11%	0.113	S	C	.	.	H	α-helix	trans	-60.2	-42.7	173.6	-172.6	-85.6	0	0	0	111.4	I127 L135 L432 V435 L436	I127-F131 WeakPolarHBondContact O-CB 3.22Å; I127-F131 PolarHBondContact O-N 3.34Å; F131-L135 HydrophobicContact CE1-CD2 4.41Å; F131-L135 VanDerWaalsContact O-CB 3.23Å; F131-L135 WeakPolarHBondContact O-CB 3.3Å; F131-L135 PolarHBondContact O-N 3.15Å; F131-L432 HydrophobicContact CD1-CD2 4.37Å; F131-L432 HydrophobicContact CD2-CD2 3.89Å; F131-L432 HydrophobicContact CE1-CD2 4.26Å; F131-L432 HydrophobicContact CE2-CB 3.96Å; F131-L432 HydrophobicContact CE2-CD2 3.78Å; F131-L432 HydrophobicContact CE2-CG 4.37Å; F131-L432 HydrophobicContact CG-CD2 4.19Å; F131-L432 HydrophobicContact CZ-CD2 3.97Å; F131-V435 HydrophobicContact CB-CG1 4.05Å; F131-V435 HydrophobicContact CD2-CG1 4.48Å; F131-L436 HydrophobicContact CD2-CD2 4.41Å; F131-L436 HydrophobicContact CD2-CG 4.47Å; F131-L436 HydrophobicContact CE2-CD1 4.39Å
132	S	94.1	Very high	94.5	Very high	65 Å²	65	23.5 Å²	23.5	46%	0.455	13%	0.128	S	C	.	.	H	α-helix	trans	-65.5	-39.5	178.2	-57.7	0	0	0	0	112.5	G128 E129 S130 L135 L136	G128-S132 WeakPolarHBondContact O-CB 3.39Å; G128-S132 PolarHBondContact O-N 3.16Å; G128-S132 PolarHBondContact O-OG 3.3Å; E129-S132 WeakPolarHBondContact O-CB 3.32Å; E129-S132 PolarHBondContact O-N 2.88Å; S130-S132 VanDerWaalsContact C-N 3.31Å; S130-S132 PolarHBondContact O-N 2.98Å; S132-L135 PolarHBondContact O-N 3.47Å; S132-L136 WeakPolarHBondContact O-CB 3.39Å; S132-L136 PolarHBondContact O-N 3.34Å
133	M	94	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-49.4	176.5	-176.1	-170.2	-60.9	0	0	111.7	I121 A125 E129 S130 L135 L136 C137 F385 L388 L389	I121-M133 HydrophobicContact CG2-SD 3.94Å; A125-M133 HydrophobicContact CB-CE 4.29Å; E129-M133 VanDerWaalsContact O-CB 3.28Å; E129-M133 WeakPolarHBondContact O-CB 3.31Å; E129-M133 PolarHBondContact O-N 3.12Å; S130-M133 PolarHBondContact O-N 3.16Å; M133-L135 VanDerWaalsContact C-N 3.34Å; M133-L135 PolarHBondContact O-N 2.71Å; M133-L136 PolarHBondContact O-N 2.95Å; M133-C137 PolarHBondContact O-N 3.44Å; M133-C137 VanDerWaalsContact O-N 3.11Å; M133-C137 PolarHBondContact O-SG 3.11Å; M133-F385 HydrophobicContact CB-CE2 3.98Å; M133-F385 HydrophobicContact CB-CZ 4.05Å; M133-F385 HydrophobicContact CE-CD2 3.67Å; M133-F385 HydrophobicContact CE-CE2 3.76Å; M133-F385 HydrophobicContact CE-CG 4.25Å; M133-F385 HydrophobicContact CE-CZ 4.4Å; M133-F385 WeakPolarHBondContact CE-O 3.5Å; M133-F385 HydrophobicContact CG-CE2 4.49Å; M133-F385 HydrophobicContact CG-CZ 4.39Å; M133-L388 HydrophobicContact CE-CB 3.71Å; M133-L388 HydrophobicContact SD-CB 3.98Å; M133-L389 HydrophobicContact CG-CB 3.83Å; M133-L389 HydrophobicContact CG-CD1 4.26Å; M133-L389 HydrophobicContact CG-CG 3.87Å; M133-L389 HydrophobicContact SD-CB 4.09Å
134	V	94.6	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-44.4	175.4	174.1	0	0	0	0	110.5	L118 S130 L136 C137 C138 F392 L432 V435	L118-V134 HydrophobicContact CD1-CG2 4.39Å; S130-V134 VanDerWaalsContact O-CG2 3.29Å; S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.2Å; V134-L136 PolarHBondContact O-N 3.14Å; V134-C137 PolarHBondContact O-N 3.28Å; V134-C138 WeakPolarHBondContact O-CB 3.23Å; V134-C138 PolarHBondContact O-N 3.38Å; V134-C138 PolarHBondContact O-SG 3.24Å; V134-F392 HydrophobicContact CB-CE1 4.15Å; V134-F392 HydrophobicContact CB-CZ 4.29Å; V134-F392 HydrophobicContact CG1-CE1 4.15Å; V134-F392 HydrophobicContact CG1-CZ 4.04Å; V134-F392 HydrophobicContact CG2-CD1 4.34Å; V134-F392 HydrophobicContact CG2-CE1 3.78Å; V134-F392 HydrophobicContact CG2-CE2 4.09Å; V134-F392 HydrophobicContact CG2-CZ 3.66Å; V134-L432 HydrophobicContact CB-CD2 3.96Å; V134-L432 HydrophobicContact CG1-CD2 3.63Å; V134-L432 HydrophobicContact CG1-CG 3.97Å; V134-V435 HydrophobicContact CG2-CG2 3.92Å
135	L	94.9	Very high	94.8	Very high	70 Å²	70	24 Å²	24	37%	0.366	13%	0.129	S	C	.	.	H	α-helix	trans	-61.4	-44.1	178.4	-179.3	61.3	0	0	0	112.2	F131 S132 M133 C137 C138 I139 L432	F131-L135 HydrophobicContact CE1-CD2 4.41Å; F131-L135 VanDerWaalsContact O-CB 3.23Å; F131-L135 WeakPolarHBondContact O-CB 3.3Å; F131-L135 PolarHBondContact O-N 3.15Å; S132-L135 PolarHBondContact O-N 3.47Å; M133-L135 VanDerWaalsContact C-N 3.34Å; M133-L135 PolarHBondContact O-N 2.71Å; L135-C137 PolarHBondContact O-N 2.95Å; L135-C138 PolarHBondContact O-N 2.91Å; L135-I139 HydrophobicContact CD1-CD1 4.04Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 VanDerWaalsContact O-CG1 3.3Å; L135-I139 WeakPolarHBondContact O-CG1 3.44Å; L135-I139 PolarHBondContact O-N 2.93Å; L135-L432 HydrophobicContact CB-CD2 4.18Å; L135-L432 HydrophobicContact CD1-CD1 4.37Å
136	L	94.2	Very high	94.9	Very high	41 Å²	41	24.6 Å²	24.6	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-43.6	177.5	179.9	59.2	0	0	0	112	S132 M133 V134 I139 C140 L389 L590	S132-L136 WeakPolarHBondContact O-CB 3.39Å; S132-L136 PolarHBondContact O-N 3.34Å; M133-L136 PolarHBondContact O-N 2.95Å; V134-L136 PolarHBondContact O-N 3.14Å; L136-I139 PolarHBondContact O-N 3.41Å; L136-C140 WeakPolarHBondContact O-CB 3.37Å; L136-C140 PolarHBondContact O-N 3.49Å; L136-L389 HydrophobicContact CD2-CD1 4.05Å; L136-L590 HydrophobicContact CD1-CD2 4.15Å
137	C	94	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-42.2	176.1	-61.6	0	0	0	0	111.7	M133 V134 L135 C140 T141 F392 Y393 V396	M133-C137 PolarHBondContact O-N 3.44Å; M133-C137 VanDerWaalsContact O-N 3.11Å; M133-C137 PolarHBondContact O-SG 3.11Å; V134-C137 PolarHBondContact O-N 3.28Å; L135-C137 PolarHBondContact O-N 2.95Å; C137-C140 PolarHBondContact O-N 3.36Å; C137-T141 PolarHBondContact O-N 3.15Å; C137-T141 PolarHBondContact O-OG1 3.46Å; C137-F392 HydrophobicContact CB-CD1 4.19Å; C137-F392 HydrophobicContact CB-CE1 4.15Å; C137-Y393 HydrophobicContact CB-CD2 4.02Å; C137-Y393 HydrophobicContact CB-CE2 4.39Å; C137-V396 HydrophobicContact CB-CG1 4.18Å; C137-V396 HydrophobicContact CB-CG2 3.85Å
138	C	94.4	Very high	94.8	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-38.6	175.9	-66.1	0	0	0	0	112.7	V134 L135 T141 F142 S428	V134-C138 WeakPolarHBondContact O-CB 3.23Å; V134-C138 PolarHBondContact O-N 3.38Å; V134-C138 PolarHBondContact O-SG 3.24Å; L135-C138 PolarHBondContact O-N 2.91Å; C138-T141 WeakPolarHBondContact CA-OG1 3.48Å; C138-T141 PolarHBondContact O-OG1 3.32Å; C138-F142 WeakPolarHBondContact O-CB 3.43Å; C138-F142 PolarHBondContact O-N 3.45Å; C138-S428 PolarHBondContact SG-OG 3.22Å; C138-S428 VanDerWaalsContact SG-OG 3.42Å
139	I	95.3	Very high	94.8	Very high	72 Å²	72	23 Å²	23	37%	0.369	12%	0.119	S	C	.	.	H	α-helix	trans	-66	-44	176.2	-71.5	166.1	0	0	0	110.9	L135 L136 T141 F142 L143 L590	L135-I139 HydrophobicContact CD1-CD1 4.04Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 VanDerWaalsContact O-CG1 3.3Å; L135-I139 WeakPolarHBondContact O-CG1 3.44Å; L135-I139 PolarHBondContact O-N 2.93Å; L136-I139 PolarHBondContact O-N 3.41Å; I139-T141 PolarHBondContact O-N 3.32Å; I139-F142 PolarHBondContact O-N 2.8Å; I139-L143 HydrophobicContact CG2-CD1 3.92Å; I139-L143 HydrophobicContact CG2-CG 4.41Å; I139-L143 WeakPolarHBondContact O-CG 3.15Å; I139-L143 PolarHBondContact O-N 3.19Å; I139-L590 HydrophobicContact CG2-CD1 4.05Å
140	C	95.1	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.1	-46	178.5	-176.6	0	0	0	0	112	L136 C137 T144 Y393 I594	L136-C140 WeakPolarHBondContact O-CB 3.37Å; L136-C140 PolarHBondContact O-N 3.49Å; C137-C140 PolarHBondContact O-N 3.36Å; C140-T144 PolarHBondContact O-N 3.19Å; C140-T144 PolarHBondContact O-OG1 3.1Å; C140-Y393 HydrophobicContact CB-CE2 4.31Å; C140-Y393 PolarHBondContact SG-OH 3.33Å; C140-Y393 VanDerWaalsContact SG-OH 3.32Å; C140-I594 HydrophobicContact CB-CD1 4.28Å
141	T	95	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-74.6	-36	178.1	45.5	0	0	0	0	112.9	C137 C138 I139 T144 S145 V396 Q424 Y554	C137-T141 PolarHBondContact O-N 3.15Å; C137-T141 PolarHBondContact O-OG1 3.46Å; C138-T141 WeakPolarHBondContact CA-OG1 3.48Å; C138-T141 PolarHBondContact O-OG1 3.32Å; I139-T141 PolarHBondContact O-N 3.32Å; T141-T144 PolarHBondContact O-N 3.22Å; T141-S145 PolarHBondContact O-N 3.07Å; T141-V396 HydrophobicContact CG2-CB 4Å; T141-V396 HydrophobicContact CG2-CG2 3.63Å; T141-Q424 PolarHBondContact OG1-NE2 3.16Å; T141-Q424 VanDerWaalsContact OG1-NE2 3.12Å; T141-Y554 HydrophobicContact CG2-CD2 4.4Å; T141-Y554 HydrophobicContact CG2-CE2 3.94Å
142	F	95.8	Very high	94.4	Very high	72 Å²	72	16.8 Å²	16.8	32%	0.316	9%	0.091	S	C	.	.	H	α-helix	trans	-62.6	-46.5	173.4	179.8	-97.1	0	0	0	112.8	C138 I139 T144 S145 I146 I421 Q424 M425	C138-F142 WeakPolarHBondContact O-CB 3.43Å; C138-F142 PolarHBondContact O-N 3.45Å; I139-F142 PolarHBondContact O-N 2.8Å; F142-T144 VanDerWaalsContact C-N 3.27Å; F142-T144 PolarHBondContact O-N 3.49Å; F142-S145 WeakPolarHBondContact O-CB 3.3Å; F142-S145 PolarHBondContact O-N 3.18Å; F142-S145 VanDerWaalsContact O-N 3.07Å; F142-S145 PolarHBondContact O-OG 3.3Å; F142-I146 HydrophobicContact CD1-CD1 4.09Å; F142-I146 HydrophobicContact CE1-CD1 3.65Å; F142-I146 HydrophobicContact CZ-CD1 4.21Å; F142-I146 PolarHBondContact O-N 3.33Å; F142-I421 HydrophobicContact CE2-CG2 4.16Å; F142-Q424 HydrophobicContact CB-CG 4.4Å; F142-Q424 HydrophobicContact CD2-CG 4.5Å; F142-M425 HydrophobicContact CD2-SD 4.19Å; F142-M425 HydrophobicContact CE2-SD 3.9Å
143	L	96.4	Very high	94.2	Very high	12 Å²	12	14.7 Å²	14.7	6%	0.063	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-39	174.6	-71.1	169.4	0	0	0	111.5	I139 S145 I146 S147 L583 L586 L590	I139-L143 HydrophobicContact CG2-CD1 3.92Å; I139-L143 HydrophobicContact CG2-CG 4.41Å; I139-L143 WeakPolarHBondContact O-CG 3.15Å; I139-L143 PolarHBondContact O-N 3.19Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 3.23Å; L143-I146 WeakPolarHBondContact O-CB 3.43Å; L143-I146 PolarHBondContact O-N 2.82Å; L143-S147 PolarHBondContact O-N 3.42Å; L143-L583 HydrophobicContact CD2-CB 4.17Å; L143-L583 HydrophobicContact CD2-CD2 4.18Å; L143-L586 HydrophobicContact CD1-CB 4.41Å; L143-L586 HydrophobicContact CD1-CD2 4Å; L143-L586 HydrophobicContact CD1-CG 3.91Å; L143-L590 HydrophobicContact CD1-CD1 3.78Å
144	T	95.6	Very high	93.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-36.6	174.4	-51.1	0	0	0	0	111.7	C140 T141 F142 I146 S147 I148 I399 Y554 N558	C140-T144 PolarHBondContact O-N 3.19Å; C140-T144 PolarHBondContact O-OG1 3.1Å; T141-T144 PolarHBondContact O-N 3.22Å; F142-T144 VanDerWaalsContact C-N 3.27Å; F142-T144 PolarHBondContact O-N 3.49Å; T144-I146 VanDerWaalsContact C-N 3.28Å; T144-I146 PolarHBondContact O-N 3.08Å; T144-S147 WeakPolarHBondContact O-CB 3.43Å; T144-S147 PolarHBondContact O-N 3.2Å; T144-S147 VanDerWaalsContact O-N 3.14Å; T144-I148 HydrophobicContact CG2-CD1 4.29Å; T144-I148 VanDerWaalsContact O-CG1 3.32Å; T144-I148 WeakPolarHBondContact O-CG1 3.41Å; T144-I148 PolarHBondContact O-N 2.95Å; T144-I399 HydrophobicContact CG2-CD1 3.7Å; T144-Y554 HydrophobicContact CG2-CD1 4.13Å; T144-Y554 HydrophobicContact CG2-CD2 4.49Å; T144-Y554 HydrophobicContact CG2-CG 3.88Å; T144-N558 PolarHBondContact OG1-ND2 2.87Å
145	S	95.1	Very high	93.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-30.3	174.5	83	0	0	0	0	113.4	T141 F142 L143 S149	T141-S145 PolarHBondContact O-N 3.07Å; F142-S145 WeakPolarHBondContact O-CB 3.3Å; F142-S145 PolarHBondContact O-N 3.18Å; F142-S145 VanDerWaalsContact O-N 3.07Å; F142-S145 PolarHBondContact O-OG 3.3Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 3.23Å; S145-S149 WeakPolarHBondContact O-CB 3.4Å; S145-S149 PolarHBondContact O-N 3.42Å; S145-S149 PolarHBondContact O-OG 2.71Å
146	I	95.7	Very high	92.3	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.067	13%	0.128	C	C	.	.	H	α-helix	trans	-69.7	-42.5	172	-67.7	160.9	0	0	0	110.6	F142 L143 T144 S149 A150 Y576 Y579	F142-I146 HydrophobicContact CD1-CD1 4.09Å; F142-I146 HydrophobicContact CE1-CD1 3.65Å; F142-I146 HydrophobicContact CZ-CD1 4.21Å; F142-I146 PolarHBondContact O-N 3.33Å; L143-I146 WeakPolarHBondContact O-CB 3.43Å; L143-I146 PolarHBondContact O-N 2.82Å; T144-I146 VanDerWaalsContact C-N 3.28Å; T144-I146 PolarHBondContact O-N 3.08Å; I146-S149 WeakPolarHBondContact O-CB 3.47Å; I146-S149 PolarHBondContact O-N 3.48Å; I146-A150 PolarHBondContact O-N 3.1Å; I146-Y576 HydrophobicContact CG2-CD1 4.39Å; I146-Y576 HydrophobicContact CG2-CE1 4.21Å; I146-Y579 HydrophobicContact CG2-CD2 4.36Å
147	S	94.9	Very high	91.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-42.6	173.9	-59.8	0	0	0	0	112	L143 T144 S149 A150 I151 N558 S584	L143-S147 PolarHBondContact O-N 3.42Å; T144-S147 WeakPolarHBondContact O-CB 3.43Å; T144-S147 PolarHBondContact O-N 3.2Å; T144-S147 VanDerWaalsContact O-N 3.14Å; S147-S149 VanDerWaalsContact C-N 3.31Å; S147-S149 PolarHBondContact O-N 3.1Å; S147-A150 WeakPolarHBondContact O-CB 3.44Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-I151 WeakPolarHBondContact O-CG1 3.26Å; S147-I151 PolarHBondContact O-N 3.17Å; S147-I151 VanDerWaalsContact O-N 3.1Å; S147-N558 VanDerWaalsContact CB-OD1 3.26Å; S147-N558 WeakPolarHBondContact CB-OD1 3.48Å; S147-N558 PolarHBondContact OG-OD1 2.92Å; S147-S584 WeakPolarHBondContact OG-CB 3.48Å; S147-S584 PolarHBondContact OG-OG 3.2Å
148	I	92.8	Very high	89.8	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-41.3	173.2	-64.6	167.6	0	0	0	110.7	T144 A150 I151 A152 M165 I399 F400 I416 V557	T144-I148 HydrophobicContact CG2-CD1 4.29Å; T144-I148 VanDerWaalsContact O-CG1 3.32Å; T144-I148 WeakPolarHBondContact O-CG1 3.41Å; T144-I148 PolarHBondContact O-N 2.95Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 3.27Å; I148-I151 PolarHBondContact O-N 3.03Å; I148-A152 WeakPolarHBondContact O-CB 3.46Å; I148-A152 PolarHBondContact O-N 2.75Å; I148-M165 HydrophobicContact CG2-CE 4.11Å; I148-I399 HydrophobicContact CD1-CB 4.36Å; I148-I399 HydrophobicContact CD1-CD1 3.65Å; I148-I399 HydrophobicContact CD1-CG1 3.75Å; I148-F400 HydrophobicContact CD1-CD1 4.04Å; I148-F400 HydrophobicContact CD1-CD2 4.01Å; I148-F400 HydrophobicContact CD1-CE1 3.63Å; I148-F400 HydrophobicContact CD1-CE2 3.59Å; I148-F400 HydrophobicContact CD1-CG 4.21Å; I148-F400 HydrophobicContact CD1-CZ 3.39Å; I148-F400 HydrophobicContact CG1-CD1 4.42Å; I148-F400 HydrophobicContact CG1-CE1 3.63Å; I148-F400 HydrophobicContact CG1-CE2 4.21Å; I148-F400 HydrophobicContact CG1-CZ 3.5Å; I148-F400 VanDerWaalsContact CG1-CZ 3.5Å; I148-F400 HydrophobicContact CG2-CE1 4.44Å; I148-I416 HydrophobicContact CG2-CG2 4.37Å; I148-V557 HydrophobicContact CG1-CG1 4.41Å
149	S	93.3	Very high	88.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.8	-31.4	177.2	-61.5	0	0	0	0	113	S145 I146 S147 T153 P417	S145-S149 WeakPolarHBondContact O-CB 3.4Å; S145-S149 PolarHBondContact O-N 3.42Å; S145-S149 PolarHBondContact O-OG 2.71Å; I146-S149 WeakPolarHBondContact O-CB 3.47Å; I146-S149 PolarHBondContact O-N 3.48Å; S147-S149 VanDerWaalsContact C-N 3.31Å; S147-S149 PolarHBondContact O-N 3.1Å; S149-T153 WeakPolarHBondContact O-CB 3.3Å; S149-T153 WeakPolarHBondContact O-CG2 3.47Å; S149-T153 PolarHBondContact O-N 2.94Å; S149-T153 VanDerWaalsContact O-N 3.16Å; S149-T153 PolarHBondContact O-OG1 3.25Å; S149-P417 WeakPolarHBondContact OG-CA 3.25Å
150	A	93.6	Very high	86.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-45.1	172.7	0	0	0	0	0	111.9	I146 S147 I148 A152 T153 N154 W572 P574 Y579	I146-A150 PolarHBondContact O-N 3.1Å; S147-A150 WeakPolarHBondContact O-CB 3.44Å; S147-A150 PolarHBondContact O-N 2.83Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 3.27Å; A150-A152 PolarHBondContact O-N 2.61Å; A150-T153 CarbonylContact O-C 3.5Å; A150-T153 PolarHBondContact O-N 3.35Å; A150-T153 PolarHBondContact O-OG1 2.98Å; A150-N154 PolarHBondContact O-N 2.98Å; A150-N154 VanDerWaalsContact O-N 3.16Å; A150-W572 HydrophobicContact CB-CH2 4.39Å; A150-W572 HydrophobicContact CB-CZ2 4.4Å; A150-P574 HydrophobicContact CB-CB 3.88Å; A150-Y579 HydrophobicContact CB-CD1 4.33Å; A150-Y579 HydrophobicContact CB-CD2 3.28Å; A150-Y579 HydrophobicContact CB-CE2 3.69Å; A150-Y579 HydrophobicContact CB-CG 3.65Å
151	I	92.3	Very high	85.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-46.7	173.2	-60.8	168.6	0	0	0	110.3	S147 I148 T153 N154 M165 N169 L170 V557 W572	S147-I151 WeakPolarHBondContact O-CG1 3.26Å; S147-I151 PolarHBondContact O-N 3.17Å; S147-I151 VanDerWaalsContact O-N 3.1Å; I148-I151 PolarHBondContact O-N 3.03Å; I151-T153 PolarHBondContact O-N 2.81Å; I151-T153 VanDerWaalsContact O-N 3.15Å; I151-N154 PolarHBondContact O-N 3.34Å; I151-M165 HydrophobicContact CG2-CE 4.3Å; I151-M165 HydrophobicContact CG2-CG 4.11Å; I151-M165 WeakPolarHBondContact CG2-O 3.15Å; I151-N169 HydrophobicContact CG2-CB 3.95Å; I151-N169 PolarHBondContact O-ND2 2.94Å; I151-L170 HydrophobicContact CD1-CD1 4Å; I151-L170 HydrophobicContact CG1-CD2 4.37Å; I151-V557 HydrophobicContact CD1-CG1 3.9Å; I151-W572 HydrophobicContact CG1-CH2 3.89Å; I151-W572 HydrophobicContact CG1-CZ3 4.18Å
152	A	90.3	Very high	85.2	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.008	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	-179.9	0	0	0	0	0	114.3	I148 A150 I157 M165 H413 I416 P417	I148-A152 WeakPolarHBondContact O-CB 3.46Å; I148-A152 PolarHBondContact O-N 2.75Å; A150-A152 PolarHBondContact O-N 2.61Å; A152-I157 HydrophobicContact CB-CD1 4.04Å; A152-I157 WeakPolarHBondContact O-CD1 3.25Å; A152-M165 HydrophobicContact CB-SD 3.9Å; A152-H413 WeakPolarHBondContact O-CA 3.43Å; A152-I416 HydrophobicContact CB-CB 4.17Å; A152-I416 HydrophobicContact CB-CG2 3.94Å; A152-P417 HydrophobicContact CB-CG 4.4Å
153	T	90.9	Very high	84.7	Confident	21 Å²	21	22.6 Å²	22.6	13%	0.129	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	11.8	173.2	56.7	0	0	0	0	112.8	S149 A150 I151 P417 R575 Y576	S149-T153 WeakPolarHBondContact O-CB 3.3Å; S149-T153 WeakPolarHBondContact O-CG2 3.47Å; S149-T153 PolarHBondContact O-N 2.94Å; S149-T153 VanDerWaalsContact O-N 3.16Å; S149-T153 PolarHBondContact O-OG1 3.25Å; A150-T153 CarbonylContact O-C 3.5Å; A150-T153 PolarHBondContact O-N 3.35Å; A150-T153 PolarHBondContact O-OG1 2.98Å; I151-T153 PolarHBondContact O-N 2.81Å; I151-T153 VanDerWaalsContact O-N 3.15Å; T153-P417 HydrophobicContact CG2-CG 4.11Å; T153-R575 PolarHBondContact O-N 3Å; T153-R575 PolarHBondContact OG1-N 3.49Å; T153-Y576 WeakPolarHBondContact OG1-CB 3.37Å; T153-Y576 PolarHBondContact OG1-N 2.88Å; T153-Y576 VanDerWaalsContact OG1-N 3.13Å
154	N	87.9	Confident	84	Confident	8 Å²	8	23.8 Å²	23.8	4%	0.043	15%	0.154	C	C	.	.	S	Bend	trans	-101.3	137.9	168.4	-162	71	0	0	0	110	A150 I151 N169 N571 W572 R573	A150-N154 PolarHBondContact O-N 2.98Å; A150-N154 VanDerWaalsContact O-N 3.16Å; I151-N154 PolarHBondContact O-N 3.34Å; N154-N169 WeakPolarHBondContact CB-OD1 3.42Å; N154-N169 PolarHBondContact ND2-OD1 3.19Å; N154-N169 PolarHBondContact O-ND2 3.44Å; N154-N169 PolarHBondContact O-OD1 3.41Å; N154-N571 PolarHBondContact ND2-O 2.9Å; N154-N571 PolarHBondContact OD1-O 3.14Å; N154-W572 HydrophobicContact CB-CE3 4.35Å; N154-W572 HydrophobicContact CB-CZ3 4.19Å; N154-R573 VanDerWaalsContact OD1-C 3.24Å; N154-R573 WeakPolarHBondContact OD1-CA 3.49Å; N154-R573 PolarHBondContact OD1-N 3.42Å
155	G	79.3	Confident	83.4	Confident	64 Å²	64	23.9 Å²	23.9	66%	0.66	16%	0.155	S	C	*	.	S	Bend	trans	62.5	-153.7	-179.2	0	0	0	0	0	114.8
156	V	76.9	Confident	83	Confident	126 Å²	126	24.2 Å²	24.2	76%	0.764	16%	0.157	S	C	*	.			trans	-110.7	130.5	168.3	177.1	0	0	0	0	107	E158	V156-E158 PolarHBondContact O-N 2.89Å
157	I	71.4	Confident	82.5	Confident	21 Å²	21	23.9 Å²	23.9	11%	0.108	16%	0.155	C	C	.	.			trans	-81.6	108.9	173.3	-57.1	168.8	0	0	0	108.2	A152 M165 P412 I416	A152-I157 HydrophobicContact CB-CD1 4.04Å; A152-I157 WeakPolarHBondContact O-CD1 3.25Å; I157-M165 HydrophobicContact CD1-CG 4.49Å; I157-M165 HydrophobicContact CD1-SD 4.2Å; I157-M165 HydrophobicContact CG1-CG 4.33Å; I157-M165 HydrophobicContact CG2-CG 4.5Å; I157-P412 HydrophobicContact CB-CB 4.24Å; I157-P412 HydrophobicContact CB-CG 4.09Å; I157-P412 HydrophobicContact CD1-CB 3.91Å; I157-P412 HydrophobicContact CD1-CG 4.42Å; I157-P412 HydrophobicContact CG2-CB 4.31Å; I157-P412 HydrophobicContact CG2-CG 4.49Å; I157-I416 HydrophobicContact CD1-CD1 4.07Å
158	E	63.4	Low	81.9	Confident	113 Å²	113	30.9 Å²	30.9	53%	0.528	18%	0.182	S	C	.	.			trans	-85.2	165.4	169.4	-34.4	-179	130.5	0	0	110.6	V156 G160 F164	V156-E158 PolarHBondContact O-N 2.89Å; E158-G160 PolarHBondContact O-N 2.88Å; E158-F164 HydrophobicContact CB-CD1 4.45Å; E158-F164 HydrophobicContact CB-CE1 3.74Å; E158-F164 HydrophobicContact CG-CE1 4.12Å; E158-F164 VanDerWaalsContact OE2-CE1 3.25Å; E158-F164 WeakPolarHBondContact OE2-CE1 3.38Å; E158-F164 VanDerWaalsContact OE2-CZ 3.28Å; E158-F164 WeakPolarHBondContact OE2-CZ 3.47Å
159	S	61.3	Low	81.3	Confident	57 Å²	57	31.9 Å²	31.9	40%	0.399	19%	0.187	S	C	.	.	S	Bend	trans	-73.3	96.4	-174.7	52.4	0	0	0	0	113.1	H84	H84-S159 PolarHBondContact ND1-OG 2.83Å
160	G	63.8	Low	80.7	Confident	23 Å²	23	32.2 Å²	32.2	24%	0.237	19%	0.189	C	C	.	.	S	Bend	trans	-160.2	10.9	177.4	0	0	0	0	0	117.5	E158 F164	E158-G160 PolarHBondContact O-N 2.88Å; G160-F164 WeakPolarHBondContact O-CB 3.38Å
161	G	76.2	Confident	80.1	Confident	11 Å²	11	33 Å²	33	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	73.4	-166.6	179.9	0	0	0	0	0	114.2	Y163 F164 M165 A403 N404 S406	G161-Y163 PolarHBondContact O-N 3.08Å; G161-F164 PolarHBondContact O-N 3.48Å; G161-M165 WeakPolarHBondContact O-CB 3.22Å; G161-M165 PolarHBondContact O-N 2.82Å; G161-M165 VanDerWaalsContact O-N 3.16Å; G161-A403 CarbonylContact C-O 3.51Å; G161-A403 VanDerWaalsContact C-O 3.23Å; G161-A403 WeakPolarHBondContact CA-O 2.98Å; G161-N404 WeakPolarHBondContact CA-O 3.38Å; G161-S406 VanDerWaalsContact CA-OG 3.24Å; G161-S406 WeakPolarHBondContact CA-OG 3.45Å; G161-S406 PolarHBondContact N-OG 3.11Å
162	A	81.3	Confident	79.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-40.6	-174.1	0	0	0	0	0	113	F164 M165 I166 Y182 F400 A403 N404	A162-F164 PolarHBondContact O-N 3.03Å; A162-M165 PolarHBondContact O-N 3.18Å; A162-I166 WeakPolarHBondContact O-CD1 3.47Å; A162-I166 VanDerWaalsContact O-CG1 3.25Å; A162-I166 WeakPolarHBondContact O-CG1 3.47Å; A162-I166 PolarHBondContact O-N 3.25Å; A162-I166 VanDerWaalsContact O-N 3.11Å; A162-Y182 HydrophobicContact CB-CE1 4.34Å; A162-F400 HydrophobicContact CB-CB 4.46Å; A162-F400 HydrophobicContact CB-CD1 4Å; A162-A403 HydrophobicContact CB-CB 4.04Å; A162-A403 PolarHBondContact N-O 3.4Å; A162-N404 WeakPolarHBondContact CB-OD1 3.48Å
163	Y	86	Confident	79.2	Confident	3 Å²	3	38 Å²	38	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-50.3	177.7	169.2	-101.9	0	0	0	112.2	G161 M165 I166 S167 G175 I498 D501 V503	G161-Y163 PolarHBondContact O-N 3.08Å; Y163-M165 PolarHBondContact O-N 2.84Å; Y163-I166 PolarHBondContact O-N 2.62Å; Y163-I166 VanDerWaalsContact O-N 3.12Å; Y163-S167 PolarHBondContact O-N 3.4Å; Y163-G175 WeakPolarHBondContact CD2-O 3.4Å; Y163-G175 VanDerWaalsContact CE2-C 3.47Å; Y163-G175 WeakPolarHBondContact CE2-O 3.22Å; Y163-I498 HydrophobicContact CD2-CD1 4.45Å; Y163-I498 HydrophobicContact CD2-CG1 3.64Å; Y163-I498 HydrophobicContact CE1-CG1 4.35Å; Y163-I498 HydrophobicContact CE2-CB 4.36Å; Y163-I498 HydrophobicContact CE2-CG1 3.46Å; Y163-I498 VanDerWaalsContact CE2-CG1 3.46Å; Y163-I498 HydrophobicContact CG-CG1 4.16Å; Y163-D501 HydrophobicContact CE1-CB 4.42Å; Y163-D501 WeakPolarHBondContact CE1-OD2 3.47Å; Y163-V503 WeakPolarHBondContact OH-CG2 3.26Å
164	F	82.2	Confident	78.9	Confident	36 Å²	36	38.4 Å²	38.4	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-38.4	-176.8	-165.5	-88.3	0	0	0	111.9	E158 G160 G161 A162 I166 S167 R168	E158-F164 HydrophobicContact CB-CD1 4.45Å; E158-F164 HydrophobicContact CB-CE1 3.74Å; E158-F164 HydrophobicContact CG-CE1 4.12Å; E158-F164 VanDerWaalsContact OE2-CE1 3.25Å; E158-F164 WeakPolarHBondContact OE2-CE1 3.38Å; E158-F164 VanDerWaalsContact OE2-CZ 3.28Å; E158-F164 WeakPolarHBondContact OE2-CZ 3.47Å; G160-F164 WeakPolarHBondContact O-CB 3.38Å; G161-F164 PolarHBondContact O-N 3.48Å; A162-F164 PolarHBondContact O-N 3.03Å; F164-I166 PolarHBondContact O-N 2.84Å; F164-S167 PolarHBondContact O-N 3.17Å; F164-R168 HydrophobicContact CD1-CG 3.71Å; F164-R168 HydrophobicContact CD2-CG 4.46Å; F164-R168 HydrophobicContact CE1-CG 3.42Å; F164-R168 VanDerWaalsContact CE1-CG 3.42Å; F164-R168 HydrophobicContact CE2-CG 4.24Å; F164-R168 VanDerWaalsContact CE2-NE 3.35Å; F164-R168 HydrophobicContact CG-CG 4.23Å; F164-R168 HydrophobicContact CZ-CG 3.73Å; F164-R168 VanDerWaalsContact CZ-NE 3.3Å; F164-R168 WeakPolarHBondContact O-CB 3.5Å; F164-R168 WeakPolarHBondContact O-CG 3.43Å; F164-R168 PolarHBondContact O-N 3.42Å; F164-R168 VanDerWaalsContact O-N 3.1Å
165	M	83.7	Confident	78.8	Confident	3 Å²	3	38 Å²	38	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-31.9	172.8	-172.9	-173.7	75.2	0	0	112.4	I148 I151 A152 I157 G161 A162 Y163 N169 A403 I416	I148-M165 HydrophobicContact CG2-CE 4.11Å; I151-M165 HydrophobicContact CG2-CE 4.3Å; I151-M165 HydrophobicContact CG2-CG 4.11Å; I151-M165 WeakPolarHBondContact CG2-O 3.15Å; A152-M165 HydrophobicContact CB-SD 3.9Å; I157-M165 HydrophobicContact CD1-CG 4.49Å; I157-M165 HydrophobicContact CD1-SD 4.2Å; I157-M165 HydrophobicContact CG1-CG 4.33Å; I157-M165 HydrophobicContact CG2-CG 4.5Å; G161-M165 WeakPolarHBondContact O-CB 3.22Å; G161-M165 PolarHBondContact O-N 2.82Å; G161-M165 VanDerWaalsContact O-N 3.16Å; A162-M165 PolarHBondContact O-N 3.18Å; Y163-M165 PolarHBondContact O-N 2.84Å; M165-N169 WeakPolarHBondContact O-CB 3.42Å; M165-N169 PolarHBondContact O-ND2 3.32Å; M165-A403 HydrophobicContact CE-CB 3.84Å; M165-A403 HydrophobicContact SD-CB 4.25Å; M165-I416 HydrophobicContact SD-CD1 4.01Å
166	I	85.4	Confident	79.1	Confident	7 Å²	7	35 Å²	35	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-83.7	-49.4	176.2	-63.6	166.1	0	0	0	111.1	A162 Y163 F164 R168 N169 L170 V178 F400	A162-I166 WeakPolarHBondContact O-CD1 3.47Å; A162-I166 VanDerWaalsContact O-CG1 3.25Å; A162-I166 WeakPolarHBondContact O-CG1 3.47Å; A162-I166 PolarHBondContact O-N 3.25Å; A162-I166 VanDerWaalsContact O-N 3.11Å; Y163-I166 PolarHBondContact O-N 2.62Å; Y163-I166 VanDerWaalsContact O-N 3.12Å; F164-I166 PolarHBondContact O-N 2.84Å; I166-R168 VanDerWaalsContact C-N 3.35Å; I166-R168 PolarHBondContact O-N 3.18Å; I166-N169 PolarHBondContact O-N 3.35Å; I166-L170 HydrophobicContact CG2-CD1 3.87Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CB 3.25Å; I166-L170 PolarHBondContact O-N 3.05Å; I166-V178 HydrophobicContact CD1-CG1 4.05Å; I166-F400 HydrophobicContact CD1-CE1 3.89Å; I166-F400 HydrophobicContact CD1-CZ 4.45Å
167	S	85.6	Confident	79.7	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-37.4	-173.7	71.1	0	0	0	0	112.8	Y163 F164 G171 D501	Y163-S167 PolarHBondContact O-N 3.4Å; F164-S167 PolarHBondContact O-N 3.17Å; S167-G171 CarbonylContact O-C 3.55Å; S167-G171 WeakPolarHBondContact O-CA 3.42Å; S167-G171 PolarHBondContact O-N 3.42Å; S167-G171 VanDerWaalsContact O-N 3.15Å; S167-D501 PolarHBondContact OG-OD2 3.12Å
168	R	82	Confident	80.5	Confident	147 Å²	147	28.4 Å²	28.4	56%	0.555	15%	0.153	S	C	*	.	H	α-helix	trans	-74.6	-28.5	177.3	-60.9	-69.2	151.9	170	-7.2	113.9	F164 I166 D501	F164-R168 HydrophobicContact CD1-CG 3.71Å; F164-R168 HydrophobicContact CD2-CG 4.46Å; F164-R168 HydrophobicContact CE1-CG 3.42Å; F164-R168 VanDerWaalsContact CE1-CG 3.42Å; F164-R168 HydrophobicContact CE2-CG 4.24Å; F164-R168 VanDerWaalsContact CE2-NE 3.35Å; F164-R168 HydrophobicContact CG-CG 4.23Å; F164-R168 HydrophobicContact CZ-CG 3.73Å; F164-R168 VanDerWaalsContact CZ-NE 3.3Å; F164-R168 WeakPolarHBondContact O-CB 3.5Å; F164-R168 WeakPolarHBondContact O-CG 3.43Å; F164-R168 PolarHBondContact O-N 3.42Å; F164-R168 VanDerWaalsContact O-N 3.1Å; I166-R168 VanDerWaalsContact C-N 3.35Å; I166-R168 PolarHBondContact O-N 3.18Å; R168-D501 IonicContact NH2-OD1 3.74Å; R168-D501 PolarHBondContact NH2-OD1 3.03Å; R168-D501 IonicContact NH2-OD2 3.42Å
169	N	81.4	Confident	81.8	Confident	21 Å²	21	23.1 Å²	23.1	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-93	-33.9	-176.7	-85.6	-55	0	0	0	114	I151 N154 M165 I166	I151-N169 HydrophobicContact CG2-CB 3.95Å; I151-N169 PolarHBondContact O-ND2 2.94Å; N154-N169 WeakPolarHBondContact CB-OD1 3.42Å; N154-N169 PolarHBondContact ND2-OD1 3.19Å; N154-N169 PolarHBondContact O-ND2 3.44Å; N154-N169 PolarHBondContact O-OD1 3.41Å; M165-N169 WeakPolarHBondContact O-CB 3.42Å; M165-N169 PolarHBondContact O-ND2 3.32Å; I166-N169 PolarHBondContact O-N 3.35Å
170	L	80.8	Confident	83.1	Confident	8 Å²	8	21.4 Å²	21.4	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-107.4	-20	-174.6	-55	-171.1	0	0	0	113.6	I151 I166 F174 V560 Q564 W572	I151-L170 HydrophobicContact CD1-CD1 4Å; I151-L170 HydrophobicContact CG1-CD2 4.37Å; I166-L170 HydrophobicContact CG2-CD1 3.87Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CB 3.25Å; I166-L170 PolarHBondContact O-N 3.05Å; L170-F174 HydrophobicContact CB-CB 4.11Å; L170-F174 WeakPolarHBondContact O-CD2 3.46Å; L170-V560 HydrophobicContact CB-CG1 4.06Å; L170-V560 HydrophobicContact CD1-CB 4.13Å; L170-V560 HydrophobicContact CD1-CG1 3.77Å; L170-V560 HydrophobicContact CD2-CG1 4.14Å; L170-V560 HydrophobicContact CG-CG1 4.21Å; L170-Q564 HydrophobicContact CD2-CG 4.42Å; L170-Q564 PolarHBondContact O-NE2 3.41Å; L170-W572 HydrophobicContact CD2-CE3 4.01Å; L170-W572 HydrophobicContact CD2-CH2 4.13Å; L170-W572 HydrophobicContact CD2-CZ3 3.52Å
171	G	79.5	Confident	84.4	Confident	17 Å²	17	20.8 Å²	20.8	18%	0.175	11%	0.107	C	C	.	.			trans	115.8	148.3	-172.2	0	0	0	0	0	112.2	S167 E173 F174 G175	S167-G171 CarbonylContact O-C 3.55Å; S167-G171 WeakPolarHBondContact O-CA 3.42Å; S167-G171 PolarHBondContact O-N 3.42Å; S167-G171 VanDerWaalsContact O-N 3.15Å; G171-E173 WeakPolarHBondContact CA-OE2 3.27Å; G171-E173 PolarHBondContact O-N 3.41Å; G171-F174 PolarHBondContact O-N 3.27Å; G171-G175 PolarHBondContact O-N 3.45Å
172	P	81.4	Confident	85.1	Confident	60 Å²	60	20.6 Å²	20.6	39%	0.39	10%	0.103	S	C	.	.	H	α-helix	trans	-64.7	-20.3	-179.4	28	-35.3	0	0	0	113.3	G176	P172-G176 WeakPolarHBondContact O-CA 3.35Å; P172-G176 PolarHBondContact O-N 3.22Å
173	E	83.6	Confident	85.6	Confident	44 Å²	44	21 Å²	21	21%	0.206	10%	0.104	C	C	.	.	H	α-helix	trans	-70	-52.3	177.1	-46.7	74.2	-165.8	0	0	111	G171 A177 Y614 I617 E618	G171-E173 WeakPolarHBondContact CA-OE2 3.27Å; G171-E173 PolarHBondContact O-N 3.41Å; E173-A177 WeakPolarHBondContact O-CB 3.42Å; E173-A177 PolarHBondContact O-N 2.9Å; E173-Y614 HydrophobicContact CB-CD2 4Å; E173-Y614 HydrophobicContact CB-CE2 3.52Å; E173-I617 HydrophobicContact CB-CG2 4.21Å; E173-I617 HydrophobicContact CG-CG2 4.34Å; E173-E618 HydrophobicContact CG-CB 4.32Å; E173-E618 HydrophobicContact CG-CG 4.33Å
174	F	84.4	Confident	85.9	Confident	31 Å²	31	24.1 Å²	24.1	14%	0.136	12%	0.118	C	C	.	.	H	α-helix	trans	-69.1	-42.3	175.8	-64.3	-70.7	0	0	0	111.2	L170 G171 G176 A177 V178 V560 Y614	L170-F174 HydrophobicContact CB-CB 4.11Å; L170-F174 WeakPolarHBondContact O-CD2 3.46Å; G171-F174 PolarHBondContact O-N 3.27Å; F174-G176 PolarHBondContact O-N 3.2Å; F174-A177 PolarHBondContact O-N 3.39Å; F174-V178 VanDerWaalsContact O-CB 3.31Å; F174-V178 WeakPolarHBondContact O-CB 3.31Å; F174-V178 VanDerWaalsContact O-CG2 3.27Å; F174-V178 WeakPolarHBondContact O-CG2 3.48Å; F174-V178 PolarHBondContact O-N 3.4Å; F174-V560 HydrophobicContact CD1-CB 4.42Å; F174-V560 HydrophobicContact CD1-CG1 4.17Å; F174-V560 HydrophobicContact CD1-CG2 3.31Å; F174-V560 HydrophobicContact CD2-CG1 4.15Å; F174-V560 HydrophobicContact CE1-CG1 4.4Å; F174-V560 HydrophobicContact CE1-CG2 3.51Å; F174-V560 HydrophobicContact CE2-CG1 4.37Å; F174-V560 HydrophobicContact CG-CG1 4.02Å; F174-V560 HydrophobicContact CG-CG2 3.96Å; F174-V560 HydrophobicContact CZ-CG1 4.49Å; F174-V560 HydrophobicContact CZ-CG2 4.28Å; F174-Y614 HydrophobicContact CD1-CD2 4.07Å; F174-Y614 AromaticContact CD1-CE2 3.55Å; F174-Y614 HydrophobicContact CD1-CE2 3.55Å; F174-Y614 HydrophobicContact CD2-CE2 4.14Å; F174-Y614 HydrophobicContact CE1-CD2 4.1Å; F174-Y614 AromaticContact CE1-CE2 3.35Å; F174-Y614 HydrophobicContact CE1-CE2 3.35Å; F174-Y614 AromaticContact CE1-CZ 3.85Å; F174-Y614 AromaticContact CE2-CE2 3.97Å; F174-Y614 HydrophobicContact CE2-CE2 3.97Å; F174-Y614 AromaticContact CG-CE2 3.96Å; F174-Y614 HydrophobicContact CG-CE2 3.96Å; F174-Y614 AromaticContact CZ-CE2 3.59Å; F174-Y614 HydrophobicContact CZ-CE2 3.59Å; F174-Y614 AromaticContact CZ-CZ 3.72Å; F174-Y614 VanDerWaalsContact CZ-OH 3.32Å; F174-Y614 WeakPolarHBondContact CZ-OH 3.39Å
175	G	85.3	Confident	86.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-47.2	173.8	0	0	0	0	0	112.4	Y163 G171 G179	Y163-G175 WeakPolarHBondContact CD2-O 3.4Å; Y163-G175 VanDerWaalsContact CE2-C 3.47Å; Y163-G175 WeakPolarHBondContact CE2-O 3.22Å; G171-G175 PolarHBondContact O-N 3.45Å; G175-G179 WeakPolarHBondContact O-CA 2.87Å; G175-G179 PolarHBondContact O-N 2.96Å
176	G	86.2	Confident	86.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-52.7	176.5	0	0	0	0	0	112.9	P172 F174 G179 I180	P172-G176 WeakPolarHBondContact O-CA 3.35Å; P172-G176 PolarHBondContact O-N 3.22Å; F174-G176 PolarHBondContact O-N 3.2Å; G176-G179 PolarHBondContact O-N 3.16Å; G176-I180 VanDerWaalsContact O-CD1 3.3Å; G176-I180 WeakPolarHBondContact O-CD1 3.5Å; G176-I180 VanDerWaalsContact O-CG1 3.24Å; G176-I180 WeakPolarHBondContact O-CG1 3.41Å; G176-I180 PolarHBondContact O-N 3.21Å; G176-I180 VanDerWaalsContact O-N 3.07Å
177	A	88.5	Confident	87.2	Confident	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-47.7	-179.5	0	0	0	0	0	112.6	E173 F174 I180 L181 I613	E173-A177 WeakPolarHBondContact O-CB 3.42Å; E173-A177 PolarHBondContact O-N 2.9Å; F174-A177 PolarHBondContact O-N 3.39Å; A177-I180 PolarHBondContact O-N 3.44Å; A177-L181 PolarHBondContact O-N 2.92Å; A177-I613 HydrophobicContact CB-CG2 4.41Å
178	V	89.6	Confident	87.6	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-39.8	178.4	174.9	0	0	0	0	111.4	I166 F174 I180 L181 Y182 F556 V557	I166-V178 HydrophobicContact CD1-CG1 4.05Å; F174-V178 VanDerWaalsContact O-CB 3.31Å; F174-V178 WeakPolarHBondContact O-CB 3.31Å; F174-V178 VanDerWaalsContact O-CG2 3.27Å; F174-V178 WeakPolarHBondContact O-CG2 3.48Å; F174-V178 PolarHBondContact O-N 3.4Å; V178-I180 VanDerWaalsContact C-N 3.35Å; V178-I180 PolarHBondContact O-N 2.92Å; V178-L181 PolarHBondContact O-N 3Å; V178-Y182 WeakPolarHBondContact O-CB 3.15Å; V178-Y182 PolarHBondContact O-N 3.35Å; V178-F556 HydrophobicContact CG2-CB 3.71Å; V178-F556 HydrophobicContact CG2-CG 4.45Å; V178-V557 HydrophobicContact CG1-CG2 3.81Å; V178-V557 HydrophobicContact CG2-CG2 4.38Å
179	G	89.1	Confident	88.1	Confident	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-39	177.2	0	0	0	0	0	113.3	G175 G176 Y183 L494 I498	G175-G179 WeakPolarHBondContact O-CA 2.87Å; G175-G179 PolarHBondContact O-N 2.96Å; G176-G179 PolarHBondContact O-N 3.16Å; G179-Y183 WeakPolarHBondContact O-CB 3.4Å; G179-Y183 PolarHBondContact O-N 3.17Å; G179-L494 WeakPolarHBondContact O-CD2 3.44Å; G179-I498 VanDerWaalsContact C-CD1 3.48Å
180	I	90.1	Very high	88.7	Confident	20 Å²	20	15.3 Å²	15.3	10%	0.103	8%	0.081	C	C	.	.	H	α-helix	trans	-68.8	-40.2	177.4	-66.4	159	0	0	0	111	G176 A177 V178 Y183 F184 I498 I504 I613 I617	G176-I180 VanDerWaalsContact O-CD1 3.3Å; G176-I180 WeakPolarHBondContact O-CD1 3.5Å; G176-I180 VanDerWaalsContact O-CG1 3.24Å; G176-I180 WeakPolarHBondContact O-CG1 3.41Å; G176-I180 PolarHBondContact O-N 3.21Å; G176-I180 VanDerWaalsContact O-N 3.07Å; A177-I180 PolarHBondContact O-N 3.44Å; V178-I180 VanDerWaalsContact C-N 3.35Å; V178-I180 PolarHBondContact O-N 2.92Å; I180-Y183 WeakPolarHBondContact O-CB 3.41Å; I180-Y183 PolarHBondContact O-N 2.7Å; I180-F184 HydrophobicContact CG2-CD2 4.01Å; I180-F184 HydrophobicContact CG2-CE2 3.82Å; I180-F184 VanDerWaalsContact O-CD2 3.25Å; I180-F184 WeakPolarHBondContact O-CD2 3.3Å; I180-F184 PolarHBondContact O-N 2.98Å; I180-F184 VanDerWaalsContact O-N 3.14Å; I180-I498 HydrophobicContact CG1-CD1 4.34Å; I180-I504 HydrophobicContact CD1-CD1 3.44Å; I180-I504 VanDerWaalsContact CD1-CD1 3.44Å; I180-I613 HydrophobicContact CD1-CG2 3.89Å; I180-I617 HydrophobicContact CD1-CD1 4.4Å
181	L	90.6	Very high	89.3	Confident	10 Å²	10	14.9 Å²	14.9	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-46.5	174.5	-68.9	170.9	0	0	0	111.8	A177 V178 Y183 F184 A185 F549 M552 C553 F556	A177-L181 PolarHBondContact O-N 2.92Å; V178-L181 PolarHBondContact O-N 3Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.27Å; L181-F184 PolarHBondContact O-N 3.25Å; L181-A185 WeakPolarHBondContact O-CB 3.3Å; L181-A185 PolarHBondContact O-N 2.78Å; L181-F549 HydrophobicContact CD2-CD1 4.02Å; L181-M552 HydrophobicContact CD1-CB 4.25Å; L181-M552 HydrophobicContact CD1-CG 3.95Å; L181-C553 HydrophobicContact CB-CB 4.26Å; L181-F556 HydrophobicContact CD1-CD2 3.75Å; L181-F556 HydrophobicContact CD1-CE2 3.99Å
182	Y	90.9	Very high	89.9	Confident	7 Å²	7	14.1 Å²	14.1	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-67.6	-28.7	178	-176	-139.6	0	0	0	112.5	A162 V178 N186 F400 N404 L494 F550	A162-Y182 HydrophobicContact CB-CE1 4.34Å; V178-Y182 WeakPolarHBondContact O-CB 3.15Å; V178-Y182 PolarHBondContact O-N 3.35Å; Y182-N186 WeakPolarHBondContact CE2-ND2 3.21Å; Y182-N186 WeakPolarHBondContact CE2-OD1 3.5Å; Y182-N186 VanDerWaalsContact CZ-ND2 3.29Å; Y182-N186 VanDerWaalsContact O-CG 3.32Å; Y182-N186 PolarHBondContact O-N 3.38Å; Y182-N186 VanDerWaalsContact O-N 3.08Å; Y182-N186 PolarHBondContact O-ND2 2.94Å; Y182-F400 HydrophobicContact CE1-CB 3.93Å; Y182-F400 HydrophobicContact CE2-CB 4.25Å; Y182-N404 PolarHBondContact OH-ND2 3.46Å; Y182-L494 HydrophobicContact CD1-CD1 3.93Å; Y182-L494 HydrophobicContact CD1-CD2 3.44Å; Y182-L494 VanDerWaalsContact CD1-CD2 3.44Å; Y182-L494 HydrophobicContact CD1-CG 4.37Å; Y182-L494 HydrophobicContact CE1-CD1 4.27Å; Y182-L494 HydrophobicContact CE1-CD2 4.18Å; Y182-L494 HydrophobicContact CG-CD2 3.86Å; Y182-F550 AromaticContact CD2-CE1 3.96Å; Y182-F550 HydrophobicContact CD2-CE1 3.96Å; Y182-F550 AromaticContact CE2-CE1 3.93Å; Y182-F550 HydrophobicContact CE2-CE1 3.93Å
183	Y	92.3	Very high	90.5	Very high	10 Å²	10	11.4 Å²	11.4	4%	0.039	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-52.8	170.5	166.4	-100.1	0	0	0	111.5	G179 I180 L181 N186 A187 A491 L494 L495 T526	G179-Y183 WeakPolarHBondContact O-CB 3.4Å; G179-Y183 PolarHBondContact O-N 3.17Å; I180-Y183 WeakPolarHBondContact O-CB 3.41Å; I180-Y183 PolarHBondContact O-N 2.7Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.27Å; Y183-N186 PolarHBondContact O-N 2.95Å; Y183-A187 WeakPolarHBondContact O-CB 3.47Å; Y183-A187 PolarHBondContact O-N 3.39Å; Y183-A491 HydrophobicContact CD2-CB 3.96Å; Y183-A491 WeakPolarHBondContact CD2-O 3.25Å; Y183-A491 HydrophobicContact CE2-CB 4.08Å; Y183-L494 VanDerWaalsContact N-CD2 3.34Å; Y183-L495 HydrophobicContact CD2-CB 3.78Å; Y183-L495 HydrophobicContact CE2-CB 3.84Å; Y183-L495 HydrophobicContact CE2-CD2 3.84Å; Y183-L495 HydrophobicContact CE2-CG 4.33Å; Y183-T526 WeakPolarHBondContact OH-CA 3.28Å
184	F	92.3	Very high	90.9	Very high	68 Å²	68	9.5 Å²	9.5	30%	0.298	4%	0.044	S	C	.	.	H	α-helix	trans	-63.3	-43.2	177.4	-76.5	-64.9	0	0	0	111.3	I180 L181 N186 A187 F188 V529 F549	I180-F184 HydrophobicContact CG2-CD2 4.01Å; I180-F184 HydrophobicContact CG2-CE2 3.82Å; I180-F184 VanDerWaalsContact O-CD2 3.25Å; I180-F184 WeakPolarHBondContact O-CD2 3.3Å; I180-F184 PolarHBondContact O-N 2.98Å; I180-F184 VanDerWaalsContact O-N 3.14Å; L181-F184 PolarHBondContact O-N 3.25Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.25Å; F184-A187 PolarHBondContact O-N 3.18Å; F184-A187 VanDerWaalsContact O-N 3.11Å; F184-F188 HydrophobicContact CB-CD2 4.15Å; F184-F188 HydrophobicContact CB-CE2 4.14Å; F184-F188 AromaticContact CD1-CE2 3.95Å; F184-F188 HydrophobicContact CD1-CE2 3.95Å; F184-F188 HydrophobicContact CG-CE2 4.43Å; F184-F188 WeakPolarHBondContact O-CD2 3.43Å; F184-F188 PolarHBondContact O-N 3.46Å; F184-V529 HydrophobicContact CD1-CG1 4.18Å; F184-V529 HydrophobicContact CE1-CG1 4.33Å; F184-F549 HydrophobicContact CB-CD1 3.93Å; F184-F549 HydrophobicContact CB-CD2 4.36Å; F184-F549 HydrophobicContact CB-CE1 3.93Å; F184-F549 HydrophobicContact CB-CE2 4.37Å; F184-F549 HydrophobicContact CB-CG 4.17Å; F184-F549 HydrophobicContact CB-CZ 4.16Å; F184-F549 HydrophobicContact CG-CE1 4.41Å
185	A	92	Very high	91.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-52.4	-49	176.5	0	0	0	0	0	112.3	L181 A189 F549 F550	L181-A185 WeakPolarHBondContact O-CB 3.3Å; L181-A185 PolarHBondContact O-N 2.78Å; A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.09Å; A185-F549 HydrophobicContact CB-CB 3.74Å; A185-F550 HydrophobicContact CB-CD1 3.85Å; A185-F550 HydrophobicContact CB-CD2 3.94Å; A185-F550 HydrophobicContact CB-CE1 3.72Å; A185-F550 HydrophobicContact CB-CE2 3.82Å; A185-F550 HydrophobicContact CB-CG 3.96Å; A185-F550 HydrophobicContact CB-CZ 3.71Å
186	N	91.4	Very high	91.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-69.2	-36.7	177.8	-68	-23.1	0	0	0	112.8	Y182 Y183 F184 A189 T190 A491	Y182-N186 WeakPolarHBondContact CE2-ND2 3.21Å; Y182-N186 WeakPolarHBondContact CE2-OD1 3.5Å; Y182-N186 VanDerWaalsContact CZ-ND2 3.29Å; Y182-N186 VanDerWaalsContact O-CG 3.32Å; Y182-N186 PolarHBondContact O-N 3.38Å; Y182-N186 VanDerWaalsContact O-N 3.08Å; Y182-N186 PolarHBondContact O-ND2 2.94Å; Y183-N186 PolarHBondContact O-N 2.95Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.25Å; N186-A189 PolarHBondContact O-N 2.83Å; N186-T190 PolarHBondContact O-N 3.37Å; N186-T190 PolarHBondContact O-OG1 3.44Å; N186-A491 HydrophobicContact CB-CB 3.87Å
187	A	93.8	Very high	91.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.8	-43.6	177.4	0	0	0	0	0	112.1	Y183 F184 T190 T526 V529	Y183-A187 WeakPolarHBondContact O-CB 3.47Å; Y183-A187 PolarHBondContact O-N 3.39Å; F184-A187 PolarHBondContact O-N 3.18Å; F184-A187 VanDerWaalsContact O-N 3.11Å; A187-T190 WeakPolarHBondContact O-CB 3.3Å; A187-T190 PolarHBondContact O-N 3.45Å; A187-T526 HydrophobicContact CB-CG2 4.26Å; A187-V529 HydrophobicContact CB-CB 4.39Å; A187-V529 HydrophobicContact CB-CG1 3.8Å
188	F	93.9	Very high	92	Very high	35 Å²	35	7.9 Å²	7.9	15%	0.154	4%	0.037	C	C	.	.	H	α-helix	trans	-72.1	-31.4	173.4	-71.2	-72	0	0	0	112.5	F184 T190 S191 M192 V529 A533 V545 V546 F549	F184-F188 HydrophobicContact CB-CD2 4.15Å; F184-F188 HydrophobicContact CB-CE2 4.14Å; F184-F188 AromaticContact CD1-CE2 3.95Å; F184-F188 HydrophobicContact CD1-CE2 3.95Å; F184-F188 HydrophobicContact CG-CE2 4.43Å; F184-F188 WeakPolarHBondContact O-CD2 3.43Å; F184-F188 PolarHBondContact O-N 3.46Å; F188-T190 VanDerWaalsContact C-N 3.3Å; F188-T190 PolarHBondContact O-N 2.79Å; F188-S191 PolarHBondContact O-N 2.95Å; F188-S191 PolarHBondContact O-OG 2.76Å; F188-M192 PolarHBondContact O-N 2.94Å; F188-M192 VanDerWaalsContact O-N 3.11Å; F188-V529 HydrophobicContact CZ-CG1 4.43Å; F188-A533 HydrophobicContact CD1-CB 3.48Å; F188-A533 VanDerWaalsContact CD1-CB 3.48Å; F188-A533 HydrophobicContact CE1-CB 3.73Å; F188-V545 HydrophobicContact CD1-CG1 4.31Å; F188-V545 HydrophobicContact CE1-CG1 4.42Å; F188-V545 HydrophobicContact CG-CG1 4.46Å; F188-V546 VanDerWaalsContact C-CG2 3.48Å; F188-V546 HydrophobicContact CB-CG2 3.66Å; F188-V546 WeakPolarHBondContact O-CG2 3.36Å; F188-F549 AromaticContact CD2-CD2 3.73Å; F188-F549 HydrophobicContact CD2-CD2 3.73Å; F188-F549 AromaticContact CD2-CE2 3.47Å; F188-F549 HydrophobicContact CD2-CE2 3.47Å; F188-F549 VanDerWaalsContact CD2-CE2 3.47Å; F188-F549 HydrophobicContact CD2-CZ 4.35Å; F188-F549 HydrophobicContact CE2-CD2 4.1Å; F188-F549 AromaticContact CE2-CE2 3.36Å; F188-F549 HydrophobicContact CE2-CE2 3.36Å; F188-F549 AromaticContact CE2-CZ 3.88Å; F188-F549 HydrophobicContact CE2-CZ 3.88Å; F188-F549 HydrophobicContact CG-CE2 4.48Å; F188-F549 HydrophobicContact CZ-CE2 4.28Å
189	A	93.1	Very high	92	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.6	-36.3	172.7	0	0	0	0	0	111.8	A185 N186 S191 M192 Y193 V546 F550	A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.09Å; N186-A189 PolarHBondContact O-N 2.83Å; A189-S191 PolarHBondContact O-N 2.85Å; A189-M192 WeakPolarHBondContact O-CB 3.34Å; A189-M192 PolarHBondContact O-N 2.96Å; A189-Y193 HydrophobicContact CB-CD2 4.45Å; A189-Y193 HydrophobicContact CB-CE2 4.01Å; A189-Y193 WeakPolarHBondContact O-CD2 3.2Å; A189-Y193 PolarHBondContact O-N 3.46Å; A189-V546 HydrophobicContact CB-CG1 4.23Å; A189-F550 HydrophobicContact CB-CE2 4.36Å
190	T	93	Very high	92	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56.7	-47.6	175.1	-51.8	0	0	0	0	111.2	N186 A187 F188 Y193 L194 L235 A484 C487 L488	N186-T190 PolarHBondContact O-N 3.37Å; N186-T190 PolarHBondContact O-OG1 3.44Å; A187-T190 WeakPolarHBondContact O-CB 3.3Å; A187-T190 PolarHBondContact O-N 3.45Å; F188-T190 VanDerWaalsContact C-N 3.3Å; F188-T190 PolarHBondContact O-N 2.79Å; T190-Y193 PolarHBondContact O-N 3.41Å; T190-L194 HydrophobicContact CG2-CD1 4.1Å; T190-L194 WeakPolarHBondContact O-CB 3.21Å; T190-L194 WeakPolarHBondContact O-CG 3.49Å; T190-L194 PolarHBondContact O-N 3.42Å; T190-L235 HydrophobicContact CG2-CD1 4.45Å; T190-A484 HydrophobicContact CG2-CB 4.49Å; T190-C487 WeakPolarHBondContact OG1-CB 3.36Å; T190-L488 HydrophobicContact CG2-CB 3.99Å; T190-L488 HydrophobicContact CG2-CD1 4.42Å
191	S	93.7	Very high	92	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.4	-36.8	177.7	62	0	0	0	0	112.9	F188 A189 L194 V195 A530 A533	F188-S191 PolarHBondContact O-N 2.95Å; F188-S191 PolarHBondContact O-OG 2.76Å; A189-S191 PolarHBondContact O-N 2.85Å; S191-L194 PolarHBondContact O-N 3.06Å; S191-V195 WeakPolarHBondContact O-CB 3.38Å; S191-V195 WeakPolarHBondContact O-CG2 3.41Å; S191-V195 PolarHBondContact O-N 3.29Å; S191-A530 WeakPolarHBondContact CB-O 3.28Å; S191-A533 WeakPolarHBondContact OG-CB 3.48Å
192	M	93	Very high	91.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.9	-47	174.1	-172.5	-168.2	67.3	0	0	111.8	F188 A189 G196 P394 I539 I542 A543 V546	F188-M192 PolarHBondContact O-N 2.94Å; F188-M192 VanDerWaalsContact O-N 3.11Å; A189-M192 WeakPolarHBondContact O-CB 3.34Å; A189-M192 PolarHBondContact O-N 2.96Å; M192-G196 PolarHBondContact O-N 2.92Å; M192-G196 VanDerWaalsContact O-N 3.07Å; M192-P394 HydrophobicContact CE-CB 3.79Å; M192-P394 HydrophobicContact SD-CB 3.66Å; M192-P394 HydrophobicContact SD-CG 4.08Å; M192-I539 HydrophobicContact CG-CD1 4.21Å; M192-I539 HydrophobicContact CG-CG1 3.82Å; M192-I542 HydrophobicContact CB-CG2 3.89Å; M192-I542 HydrophobicContact CG-CG2 4.49Å; M192-A543 HydrophobicContact SD-CB 4.04Å; M192-V546 HydrophobicContact CB-CG2 4.32Å; M192-V546 HydrophobicContact SD-CG2 4.5Å
193	Y	92.6	Very high	91.5	Very high	3 Å²	3	8.2 Å²	8.2	1%	0.012	4%	0.038	C	C	.	.	H	α-helix	trans	-67.8	-39.7	178.1	-64.2	-51	0	0	0	112.1	H108 V112 A189 T190 G196 G197 T480 A483	H108-Y193 PolarHBondContact O-OH 3.16Å; V112-Y193 HydrophobicContact CB-CD1 4.35Å; V112-Y193 HydrophobicContact CG1-CD1 3.95Å; V112-Y193 HydrophobicContact CG1-CE1 4.41Å; A189-Y193 HydrophobicContact CB-CD2 4.45Å; A189-Y193 HydrophobicContact CB-CE2 4.01Å; A189-Y193 WeakPolarHBondContact O-CD2 3.2Å; A189-Y193 PolarHBondContact O-N 3.46Å; T190-Y193 PolarHBondContact O-N 3.41Å; Y193-G196 PolarHBondContact O-N 3.09Å; Y193-G197 PolarHBondContact O-N 2.84Å; Y193-T480 WeakPolarHBondContact O-CB 3.26Å; Y193-A483 HydrophobicContact CD1-CB 4.05Å; Y193-A483 HydrophobicContact CD2-CB 3.75Å; Y193-A483 HydrophobicContact CE1-CB 4.14Å; Y193-A483 HydrophobicContact CE2-CB 3.85Å; Y193-A483 HydrophobicContact CG-CB 3.87Å
194	L	94	Very high	91.2	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-64.8	-48.6	176.6	-75.7	172.3	0	0	0	112.8	T190 S191 G196 G197 V198 L234 L235 E238 A484 I534	T190-L194 HydrophobicContact CG2-CD1 4.1Å; T190-L194 WeakPolarHBondContact O-CB 3.21Å; T190-L194 WeakPolarHBondContact O-CG 3.49Å; T190-L194 PolarHBondContact O-N 3.42Å; S191-L194 PolarHBondContact O-N 3.06Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.83Å; L194-G197 PolarHBondContact O-N 3.17Å; L194-G197 VanDerWaalsContact O-N 3.13Å; L194-V198 WeakPolarHBondContact O-CG2 3.02Å; L194-V198 PolarHBondContact O-N 3.13Å; L194-L234 HydrophobicContact CD2-CB 3.85Å; L194-L235 HydrophobicContact CD1-CB 3.72Å; L194-L235 HydrophobicContact CD1-CD1 3.7Å; L194-L235 HydrophobicContact CD1-CG 4.24Å; L194-E238 HydrophobicContact CD2-CG 4.48Å; L194-E238 WeakPolarHBondContact CD2-OE1 3.27Å; L194-A484 HydrophobicContact CD2-CB 4.05Å; L194-A484 HydrophobicContact CG-CB 3.92Å; L194-I534 HydrophobicContact CB-CD1 4.49Å; L194-I534 HydrophobicContact CD1-CD1 4.05Å
195	V	93	Very high	90.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61	-41.8	177.1	172.3	0	0	0	0	110.7	S191 G197 V198 E199 A231 I534 I539 I542	S191-V195 WeakPolarHBondContact O-CB 3.38Å; S191-V195 WeakPolarHBondContact O-CG2 3.41Å; S191-V195 PolarHBondContact O-N 3.29Å; V195-G197 PolarHBondContact O-N 3.01Å; V195-V198 PolarHBondContact O-N 2.93Å; V195-E199 PolarHBondContact O-N 2.93Å; V195-A231 HydrophobicContact CG2-CB 4.09Å; V195-I534 HydrophobicContact CG2-CG1 4.34Å; V195-I539 HydrophobicContact CG1-CB 4.24Å; V195-I542 HydrophobicContact CB-CD1 4.45Å; V195-I542 HydrophobicContact CG2-CD1 4.01Å
196	G	90.6	Very high	90.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.7	-34.7	173.7	0	0	0	0	0	114.1	M192 Y193 L194 V198 E199 I200	M192-G196 PolarHBondContact O-N 2.92Å; M192-G196 VanDerWaalsContact O-N 3.07Å; Y193-G196 PolarHBondContact O-N 3.09Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.83Å; G196-V198 VanDerWaalsContact C-N 3.32Å; G196-E199 PolarHBondContact O-N 3.34Å; G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 3.15Å; G196-I200 VanDerWaalsContact O-N 3.13Å
197	G	91.4	Very high	89.8	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-35	171.3	0	0	0	0	0	113	Y193 L194 V195 L201 T480	Y193-G197 PolarHBondContact O-N 2.84Å; L194-G197 PolarHBondContact O-N 3.17Å; L194-G197 VanDerWaalsContact O-N 3.13Å; V195-G197 PolarHBondContact O-N 3.01Å; G197-L201 WeakPolarHBondContact O-CB 3.36Å; G197-L201 PolarHBondContact O-N 2.93Å; G197-T480 VanDerWaalsContact CA-OG1 3.27Å; G197-T480 WeakPolarHBondContact CA-OG1 3.3Å
198	V	92.1	Very high	89	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-74.6	-36.1	174.9	173.4	0	0	0	0	112.3	L194 V195 G196 I200 L201 L202 F227 A231 L234	L194-V198 WeakPolarHBondContact O-CG2 3.02Å; L194-V198 PolarHBondContact O-N 3.13Å; V195-V198 PolarHBondContact O-N 2.93Å; G196-V198 VanDerWaalsContact C-N 3.32Å; V198-I200 VanDerWaalsContact C-N 3.3Å; V198-I200 PolarHBondContact O-N 3.16Å; V198-L201 PolarHBondContact O-N 3.46Å; V198-L202 HydrophobicContact CG1-CD1 3.54Å; V198-L202 HydrophobicContact CG1-CG 4Å; V198-L202 WeakPolarHBondContact O-CB 3.43Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.36Å; V198-F227 HydrophobicContact CG1-CD1 4.06Å; V198-A231 HydrophobicContact CG2-CB 3.94Å; V198-L234 HydrophobicContact CG2-CD1 3.67Å; V198-L234 HydrophobicContact CG2-CG 4.44Å
199	E	89.3	Confident	88.3	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-56.2	-47	170.2	-170.6	178.7	133.6	0	0	110.1	L116 R117 V195 G196 M203 F227 I539	L116-E199 HydrophobicContact CD1-CB 4.16Å; L116-E199 HydrophobicContact CD1-CG 4.29Å; R117-E199 IonicContact CZ-OE1 3.99Å; R117-E199 IonicContact CZ-OE2 2.9Å; R117-E199 IonicContact NH1-OE1 3.7Å; R117-E199 PolarHBondContact NH1-OE1 3.49Å; R117-E199 IonicContact NH1-OE2 2.71Å; R117-E199 IonicContact NH2-OE1 3.77Å; R117-E199 PolarHBondContact NH2-OE1 2.93Å; R117-E199 IonicContact NH2-OE2 2.88Å; R117-E199 PolarHBondContact NH2-OE2 3.22Å; V195-E199 PolarHBondContact O-N 2.93Å; G196-E199 PolarHBondContact O-N 3.34Å; E199-M203 HydrophobicContact CG-CG 4.46Å; E199-M203 VanDerWaalsContact O-CB 3.25Å; E199-M203 WeakPolarHBondContact O-CB 3.48Å; E199-M203 WeakPolarHBondContact O-CG 3.35Å; E199-M203 PolarHBondContact O-N 3.29Å; E199-F227 HydrophobicContact CB-CE2 4.34Å; E199-F227 HydrophobicContact CB-CZ 4.04Å; E199-F227 HydrophobicContact CG-CE2 4.26Å; E199-F227 HydrophobicContact CG-CZ 3.87Å; E199-I539 WeakPolarHBondContact OE2-CG2 3.34Å
200	I	89.8	Confident	87.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-45.4	175.3	-63.2	159.8	0	0	0	111.9	V112 L116 G196 V198 Y204 L205 F477 T480	V112-I200 HydrophobicContact CG2-CD1 4.26Å; L116-I200 HydrophobicContact CD1-CD1 4.38Å; L116-I200 HydrophobicContact CD1-CG1 4.18Å; L116-I200 HydrophobicContact CD2-CD1 4.42Å; L116-I200 HydrophobicContact CD2-CG1 3.81Å; L116-I200 HydrophobicContact CG-CD1 4.27Å; L116-I200 HydrophobicContact CG-CG1 4.14Å; G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 3.15Å; G196-I200 VanDerWaalsContact O-N 3.13Å; V198-I200 VanDerWaalsContact C-N 3.3Å; V198-I200 PolarHBondContact O-N 3.16Å; I200-Y204 HydrophobicContact CB-CD2 4.43Å; I200-Y204 HydrophobicContact CG1-CD2 4.42Å; I200-Y204 HydrophobicContact CG2-CD2 4.43Å; I200-Y204 WeakPolarHBondContact O-CB 3.22Å; I200-Y204 PolarHBondContact O-N 2.87Å; I200-Y204 VanDerWaalsContact O-N 3.08Å; I200-L205 PolarHBondContact O-N 3.33Å; I200-L205 VanDerWaalsContact O-N 3.15Å; I200-F477 HydrophobicContact CG2-CB 4.09Å; I200-T480 HydrophobicContact CD1-CG2 3.87Å
201	L	90.2	Very high	86.3	Confident	27 Å²	27	30.3 Å²	30.3	14%	0.141	17%	0.174	C	C	.	.	I	π-helix	trans	-61	-48.5	-178.1	178.4	60.4	0	0	0	112.1	G197 V198 L205 A206 F477	G197-L201 WeakPolarHBondContact O-CB 3.36Å; G197-L201 PolarHBondContact O-N 2.93Å; V198-L201 PolarHBondContact O-N 3.46Å; L201-L205 HydrophobicContact CD1-CB 4.41Å; L201-L205 HydrophobicContact CD1-CD2 3.89Å; L201-L205 HydrophobicContact CD1-CG 4.32Å; L201-L205 PolarHBondContact O-N 2.9Å; L201-A206 PolarHBondContact O-N 3.03Å; L201-F477 HydrophobicContact CB-CD2 4.45Å; L201-F477 HydrophobicContact CB-CE2 4.08Å; L201-F477 HydrophobicContact CD1-CE2 4.49Å
202	L	87.3	Confident	85.2	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.194	C	C	.	.	I	π-helix	trans	-88.1	-30	-171.5	-63.2	179.3	0	0	0	113.8	V198 P207 L209 N226 F227 Y230	V198-L202 HydrophobicContact CG1-CD1 3.54Å; V198-L202 HydrophobicContact CG1-CG 4Å; V198-L202 WeakPolarHBondContact O-CB 3.43Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.36Å; L202-P207 WeakPolarHBondContact O-CA 3.08Å; L202-L209 HydrophobicContact CD2-CB 3.63Å; L202-L209 HydrophobicContact CD2-CD1 4.27Å; L202-N226 HydrophobicContact CD1-CB 4Å; L202-F227 HydrophobicContact CD1-CD1 4.06Å; L202-F227 HydrophobicContact CD1-CE1 4.42Å; L202-Y230 HydrophobicContact CD1-CD2 3.63Å; L202-Y230 HydrophobicContact CD1-CE2 4.26Å; L202-Y230 HydrophobicContact CD1-CG 4.09Å; L202-Y230 HydrophobicContact CD2-CD1 4.48Å; L202-Y230 HydrophobicContact CD2-CD2 3.94Å; L202-Y230 HydrophobicContact CD2-CE1 4.49Å; L202-Y230 HydrophobicContact CD2-CE2 3.93Å; L202-Y230 HydrophobicContact CD2-CG 4.21Å; L202-Y230 HydrophobicContact CG-CD2 4.36Å
203	M	82.6	Confident	83.8	Confident	19 Å²	19	36.8 Å²	36.8	9%	0.094	22%	0.215	C	C	.	.	I	π-helix	trans	-83.7	-42.1	176.1	-63.2	-62.2	-172.7	0	0	112	E199 V223 F227	E199-M203 HydrophobicContact CG-CG 4.46Å; E199-M203 VanDerWaalsContact O-CB 3.25Å; E199-M203 WeakPolarHBondContact O-CB 3.48Å; E199-M203 WeakPolarHBondContact O-CG 3.35Å; E199-M203 PolarHBondContact O-N 3.29Å; M203-V223 HydrophobicContact CE-CG1 3.56Å; M203-V223 HydrophobicContact CE-CG2 4.35Å; M203-F227 HydrophobicContact CE-CE1 4.22Å; M203-F227 HydrophobicContact CE-CZ 3.84Å
204	Y	85.8	Confident	82.2	Confident	21 Å²	21	42.3 Å²	42.3	8%	0.082	24%	0.244	C	C	.	.	I	π-helix	trans	-114.4	-31.7	-163	-50.8	-45.3	0	0	0	115.3	L116 I200 N457 M459 L473	L116-Y204 HydrophobicContact CD2-CE2 3.86Å; I200-Y204 HydrophobicContact CB-CD2 4.43Å; I200-Y204 HydrophobicContact CG1-CD2 4.42Å; I200-Y204 HydrophobicContact CG2-CD2 4.43Å; I200-Y204 WeakPolarHBondContact O-CB 3.22Å; I200-Y204 PolarHBondContact O-N 2.87Å; I200-Y204 VanDerWaalsContact O-N 3.08Å; Y204-N457 WeakPolarHBondContact CD1-O 3.33Å; Y204-N457 WeakPolarHBondContact CE1-O 3.33Å; Y204-M459 HydrophobicContact CD1-CB 3.87Å; Y204-M459 HydrophobicContact CD2-CB 3.73Å; Y204-M459 HydrophobicContact CD2-CG 4.13Å; Y204-M459 HydrophobicContact CD2-SD 4.02Å; Y204-M459 HydrophobicContact CE1-CB 3.85Å; Y204-M459 HydrophobicContact CE2-CB 3.74Å; Y204-M459 HydrophobicContact CE2-CG 3.88Å; Y204-M459 HydrophobicContact CE2-SD 4.12Å; Y204-M459 HydrophobicContact CG-CB 3.81Å; Y204-L473 HydrophobicContact CD2-CD2 4.46Å; Y204-L473 HydrophobicContact CG-CD2 4.25Å
205	L	85.9	Confident	80.4	Confident	63 Å²	63	47.4 Å²	47.4	33%	0.33	28%	0.278	S	S	.	.	I	π-helix	trans	-94.8	-40.8	-176.3	-179.3	55.3	0	0	0	112.9	I200 L201 W470	I200-L205 PolarHBondContact O-N 3.33Å; I200-L205 VanDerWaalsContact O-N 3.15Å; L201-L205 HydrophobicContact CD1-CB 4.41Å; L201-L205 HydrophobicContact CD1-CD2 3.89Å; L201-L205 HydrophobicContact CD1-CG 4.32Å; L201-L205 PolarHBondContact O-N 2.9Å; L205-W470 HydrophobicContact CD1-CZ3 3.75Å
206	A	84.5	Confident	78.5	Confident	22 Å²	22	54.1 Å²	54.1	18%	0.182	31%	0.312	C	S	.	.			trans	-146.7	69.1	-175.2	0	0	0	0	0	112.8	L201 S208 L209	L201-A206 PolarHBondContact O-N 3.03Å; A206-S208 PolarHBondContact O-N 2.88Å; A206-L209 HydrophobicContact CB-CD1 3.58Å; A206-L209 HydrophobicContact CB-CG 3.84Å; A206-L209 WeakPolarHBondContact O-CB 3.34Å; A206-L209 PolarHBondContact O-N 2.93Å
207	P	76.7	Confident	76.8	Confident	83 Å²	83	56.9 Å²	56.9	54%	0.539	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	0.6	-177.6	28.4	-36.6	0	0	0	115.6	L202 P210	L202-P207 WeakPolarHBondContact O-CA 3.08Å; P207-P210 WeakPolarHBondContact O-CD 3.49Å
208	S	76.9	Confident	75.3	Confident	115 Å²	115	61.4 Å²	61.4	80%	0.804	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.2	171.5	53.9	0	0	0	0	114.4	A206	A206-S208 PolarHBondContact O-N 2.88Å
209	L	79.9	Confident	74	Confident	70 Å²	70	69.9 Å²	69.9	37%	0.366	38%	0.383	S	S	.	.			trans	-80.4	-25.6	176.9	-71.9	179.9	0	0	0	117.1	L202 A206 Q211 Y230	L202-L209 HydrophobicContact CD2-CB 3.63Å; L202-L209 HydrophobicContact CD2-CD1 4.27Å; A206-L209 HydrophobicContact CB-CD1 3.58Å; A206-L209 HydrophobicContact CB-CG 3.84Å; A206-L209 WeakPolarHBondContact O-CB 3.34Å; A206-L209 PolarHBondContact O-N 2.93Å; L209-Q211 PolarHBondContact O-N 3.27Å; L209-Q211 VanDerWaalsContact O-N 3.16Å; L209-Y230 PolarHBondContact O-OH 2.82Å
210	P	73.5	Confident	73.1	Confident	55 Å²	55	74.6 Å²	74.6	36%	0.357	41%	0.405	S	S	.	.			trans	-55.2	121.3	179.4	-29.1	37.2	0	0	0	112.5	P207 N226	P207-P210 WeakPolarHBondContact O-CD 3.49Å; P210-N226 WeakPolarHBondContact CA-OD1 3.35Å
211	Q	68.9	Low	72.5	Confident	147 Å²	147	78.3 Å²	78.3	69%	0.687	43%	0.429	S	S	*	.			trans	-91.7	-21.5	-177.8	-171.9	175.3	10.3	0	0	112.3	L209 N226	L209-Q211 PolarHBondContact O-N 3.27Å; L209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-N226 PolarHBondContact N-OD1 3.1Å
212	F	71.4	Confident	72	Confident	95 Å²	95	78.9 Å²	78.9	42%	0.417	43%	0.431	S	S	.	.	S	Bend	trans	-113.5	134.9	-178.2	-56.6	-78	0	0	0	111.6	N226 V229	F212-N226 PolarHBondContact N-OD1 3.44Å; F212-N226 VanDerWaalsContact N-OD1 3.15Å; F212-N226 PolarHBondContact O-ND2 2.72Å; F212-V229 HydrophobicContact CE2-CG2 4.22Å
213	G	63.3	Low	71.7	Confident	42 Å²	42	79.9 Å²	79.9	43%	0.433	44%	0.438	S	S	.	.	S	Bend	trans	90.6	152.5	-179.5	0	0	0	0	0	113.7	D222	G213-D222 WeakPolarHBondContact CA-OD2 3.38Å
214	D	59.5	Low	71.8	Confident	119 Å²	119	81.3 Å²	81.3	64%	0.636	44%	0.444	S	S	*	.			trans	-73.4	136	170.6	-77.4	-49.7	0	0	0	110	I216 A217	D214-I216 PolarHBondContact O-N 3.04Å; D214-A217 HydrophobicContact CB-CB 4.16Å; D214-A217 CarbonylContact O-C 3.53Å; D214-A217 PolarHBondContact O-N 3.02Å; D214-A217 VanDerWaalsContact O-N 3.12Å
215	P	55.2	Low	71.9	Confident	111 Å²	111	83.4 Å²	83.4	72%	0.721	46%	0.456	S	S	*	.	S	Bend	trans	-63.2	-19.6	-179.1	25.3	-34.4	0	0	0	113.5
216	I	52.8	Low	72	Confident	140 Å²	140	80.7 Å²	80.7	72%	0.718	44%	0.442	S	S	*	.	S	Bend	trans	-89.7	-34	178.5	-59.5	170	0	0	0	111.6	D214 P294	D214-I216 PolarHBondContact O-N 3.04Å; I216-P294 HydrophobicContact CG2-CG 4.32Å
217	A	55	Low	72.3	Confident	58 Å²	58	79.9 Å²	79.9	48%	0.479	43%	0.434	S	S	.	.	S	Bend	trans	-114.4	57.2	-171.6	0	0	0	0	0	111.2	D214 R219	D214-A217 HydrophobicContact CB-CB 4.16Å; D214-A217 CarbonylContact O-C 3.53Å; D214-A217 PolarHBondContact O-N 3.02Å; D214-A217 VanDerWaalsContact O-N 3.12Å; A217-R219 PolarHBondContact O-N 3.46Å
218	R	60.4	Low	73	Confident	97 Å²	97	79.3 Å²	79.3	37%	0.366	42%	0.422	S	S	.	.			trans	-57.4	102.3	-179.5	-68.1	-174.1	-176.3	162	3.8	111.9	N457	R218-N457 PolarHBondContact NH1-OD1 2.8Å; R218-N457 VanDerWaalsContact NH2-CG 3.25Å; R218-N457 PolarHBondContact NH2-ND2 2.86Å; R218-N457 PolarHBondContact NH2-OD1 2.81Å
219	R	66	Low	73.8	Confident	177 Å²	177	77.4 Å²	77.4	67%	0.668	41%	0.405	S	S	*	.			trans	-83.2	138	160.8	-69.8	179.9	174.2	158.5	1	109.5	A217 T221 D222 V223	A217-R219 PolarHBondContact O-N 3.46Å; R219-T221 WeakPolarHBondContact CB-OG1 3.28Å; R219-T221 PolarHBondContact O-N 3.31Å; R219-D222 PolarHBondContact O-N 2.9Å; R219-V223 PolarHBondContact O-N 3.1Å
220	E	70.1	Confident	74.4	Confident	100 Å²	100	76.8 Å²	76.8	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-51.8	-40.4	174.9	-61.9	169.4	-176.9	0	0	111.7	D222 V223 F224 H362	E220-D222 PolarHBondContact O-N 3.42Å; E220-V223 PolarHBondContact O-N 3.47Å; E220-F224 HydrophobicContact CB-CD2 4.32Å; E220-F224 HydrophobicContact CB-CE2 3.9Å; E220-F224 WeakPolarHBondContact O-CD2 3.43Å; E220-F224 WeakPolarHBondContact O-CG 3.47Å; E220-F224 PolarHBondContact O-N 3.17Å; E220-H362 IonicContact OE1-CE1 3.82Å
221	T	77.1	Confident	75.3	Confident	79 Å²	79	74.2 Å²	74.2	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-52.7	-39.7	175.8	51	0	0	0	0	113.3	R219 N225	R219-T221 WeakPolarHBondContact CB-OG1 3.28Å; R219-T221 PolarHBondContact O-N 3.31Å; T221-N225 WeakPolarHBondContact O-CB 3.22Å; T221-N225 PolarHBondContact O-N 3.05Å; T221-N225 PolarHBondContact O-ND2 3.27Å; T221-N225 VanDerWaalsContact O-ND2 3.12Å
222	D	80.4	Confident	76.6	Confident	38 Å²	38	68.5 Å²	68.5	20%	0.203	36%	0.357	C	S	.	.	H	α-helix	trans	-84.5	-38.3	-169.9	-54.3	-6.3	0	0	0	108.7	G213 R219 E220 N225 N226	G213-D222 WeakPolarHBondContact CA-OD2 3.38Å; R219-D222 PolarHBondContact O-N 2.9Å; E220-D222 PolarHBondContact O-N 3.42Å; D222-N225 PolarHBondContact O-N 3.3Å; D222-N226 PolarHBondContact O-N 2.89Å; D222-N226 PolarHBondContact O-ND2 3.49Å
223	V	80.4	Confident	77.7	Confident	27 Å²	27	66.7 Å²	66.7	16%	0.164	36%	0.36	C	S	.	.	H	α-helix	trans	-56.4	-52	168	177.8	0	0	0	0	110.9	M203 R219 E220 N225 N226 F227	M203-V223 HydrophobicContact CE-CG1 3.56Å; M203-V223 HydrophobicContact CE-CG2 4.35Å; R219-V223 PolarHBondContact O-N 3.1Å; E220-V223 PolarHBondContact O-N 3.47Å; V223-N225 VanDerWaalsContact C-N 3.29Å; V223-N225 PolarHBondContact O-N 3.01Å; V223-N226 PolarHBondContact O-N 3.19Å; V223-F227 HydrophobicContact CG1-CD1 4.24Å; V223-F227 HydrophobicContact CG1-CD2 4.28Å; V223-F227 HydrophobicContact CG1-CE1 3.73Å; V223-F227 HydrophobicContact CG1-CE2 3.76Å; V223-F227 HydrophobicContact CG1-CZ 3.47Å; V223-F227 VanDerWaalsContact CG1-CZ 3.47Å; V223-F227 WeakPolarHBondContact O-CD1 3.37Å; V223-F227 WeakPolarHBondContact O-CG 3.38Å; V223-F227 PolarHBondContact O-N 3.3Å
224	F	84.5	Confident	79.1	Confident	49 Å²	49	66 Å²	66	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-32.8	178.3	-64.1	-46.1	0	0	0	113	E220 F227 R228 G537	E220-F224 HydrophobicContact CB-CD2 4.32Å; E220-F224 HydrophobicContact CB-CE2 3.9Å; E220-F224 WeakPolarHBondContact O-CD2 3.43Å; E220-F224 WeakPolarHBondContact O-CG 3.47Å; E220-F224 PolarHBondContact O-N 3.17Å; F224-F227 HydrophobicContact CD1-CD2 4.29Å; F224-F227 PolarHBondContact O-N 3.21Å; F224-R228 VanDerWaalsContact O-CG 3.25Å; F224-R228 WeakPolarHBondContact O-CG 3.45Å; F224-R228 PolarHBondContact O-N 3.4Å; F224-G537 WeakPolarHBondContact CD1-O 3.22Å
225	N	87.9	Confident	80.8	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	32%	0.317	S	S	.	.	H	α-helix	trans	-70	-39.5	175	-74.9	-24.2	0	0	0	112.6	T221 D222 V223 R228 V229	T221-N225 WeakPolarHBondContact O-CB 3.22Å; T221-N225 PolarHBondContact O-N 3.05Å; T221-N225 PolarHBondContact O-ND2 3.27Å; T221-N225 VanDerWaalsContact O-ND2 3.12Å; D222-N225 PolarHBondContact O-N 3.3Å; V223-N225 VanDerWaalsContact C-N 3.29Å; V223-N225 PolarHBondContact O-N 3.01Å; N225-R228 PolarHBondContact OD1-NH1 2.98Å; N225-V229 WeakPolarHBondContact O-CG2 3.41Å; N225-V229 PolarHBondContact O-N 3.21Å
226	N	88.9	Confident	82.7	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.032	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-45.4	169.6	-70.3	-71.2	0	0	0	110.8	L202 P210 Q211 F212 D222 V223 R228 V229 Y230	L202-N226 HydrophobicContact CD1-CB 4Å; P210-N226 WeakPolarHBondContact CA-OD1 3.35Å; Q211-N226 PolarHBondContact N-OD1 3.1Å; F212-N226 PolarHBondContact N-OD1 3.44Å; F212-N226 VanDerWaalsContact N-OD1 3.15Å; F212-N226 PolarHBondContact O-ND2 2.72Å; D222-N226 PolarHBondContact O-N 2.89Å; D222-N226 PolarHBondContact O-ND2 3.49Å; V223-N226 PolarHBondContact O-N 3.19Å; N226-R228 VanDerWaalsContact C-N 3.34Å; N226-R228 PolarHBondContact O-N 2.96Å; N226-V229 PolarHBondContact O-N 3.44Å; N226-Y230 WeakPolarHBondContact O-CD2 3.49Å; N226-Y230 PolarHBondContact O-N 2.72Å
227	F	89.7	Confident	84.6	Confident	5 Å²	5	58 Å²	58	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-45.4	179.2	-71.6	0.3	0	0	0	112	V198 E199 L202 M203 V223 F224 A231 G537	V198-F227 HydrophobicContact CG1-CD1 4.06Å; E199-F227 HydrophobicContact CB-CE2 4.34Å; E199-F227 HydrophobicContact CB-CZ 4.04Å; E199-F227 HydrophobicContact CG-CE2 4.26Å; E199-F227 HydrophobicContact CG-CZ 3.87Å; L202-F227 HydrophobicContact CD1-CD1 4.06Å; L202-F227 HydrophobicContact CD1-CE1 4.42Å; M203-F227 HydrophobicContact CE-CE1 4.22Å; M203-F227 HydrophobicContact CE-CZ 3.84Å; V223-F227 HydrophobicContact CG1-CD1 4.24Å; V223-F227 HydrophobicContact CG1-CD2 4.28Å; V223-F227 HydrophobicContact CG1-CE1 3.73Å; V223-F227 HydrophobicContact CG1-CE2 3.76Å; V223-F227 HydrophobicContact CG1-CZ 3.47Å; V223-F227 VanDerWaalsContact CG1-CZ 3.47Å; V223-F227 WeakPolarHBondContact O-CD1 3.37Å; V223-F227 WeakPolarHBondContact O-CG 3.38Å; V223-F227 PolarHBondContact O-N 3.3Å; F224-F227 HydrophobicContact CD1-CD2 4.29Å; F224-F227 PolarHBondContact O-N 3.21Å; F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 2.84Å; F227-G537 WeakPolarHBondContact CD2-O 3.37Å
228	R	92.3	Very high	86.4	Confident	72 Å²	72	55.3 Å²	55.3	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-55.5	-59.1	174.1	-71.1	163.8	-179.7	137.4	8.1	111.6	F224 N225 N226 Y230 A231 S232 L535 I536	F224-R228 VanDerWaalsContact O-CG 3.25Å; F224-R228 WeakPolarHBondContact O-CG 3.45Å; F224-R228 PolarHBondContact O-N 3.4Å; N225-R228 PolarHBondContact OD1-NH1 2.98Å; N226-R228 VanDerWaalsContact C-N 3.34Å; N226-R228 PolarHBondContact O-N 2.96Å; R228-Y230 PolarHBondContact O-N 3.35Å; R228-A231 PolarHBondContact O-N 2.89Å; R228-S232 PolarHBondContact O-N 2.89Å; R228-S232 PolarHBondContact O-OG 3.07Å; R228-S232 VanDerWaalsContact O-OG 3.07Å; R228-L535 PolarHBondContact NE-O 3.29Å; R228-L535 PolarHBondContact NH2-O 2.93Å; R228-I536 PolarHBondContact NH2-O 2.66Å
229	V	92.3	Very high	87.9	Confident	75 Å²	75	52.4 Å²	52.4	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-45.9	-173.7	173	0	0	0	0	112.2	F212 N225 N226 A233	F212-V229 HydrophobicContact CE2-CG2 4.22Å; N225-V229 WeakPolarHBondContact O-CG2 3.41Å; N225-V229 PolarHBondContact O-N 3.21Å; N226-V229 PolarHBondContact O-N 3.44Å; V229-A233 WeakPolarHBondContact O-CB 3.19Å; V229-A233 PolarHBondContact O-N 2.96Å; V229-A233 VanDerWaalsContact O-N 3.17Å
230	Y	92.8	Very high	89.1	Confident	57 Å²	57	46.7 Å²	46.7	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-72.5	-31.7	179.9	-79.6	-79	0	0	0	112.6	L202 L209 N226 R228 A233 L234	L202-Y230 HydrophobicContact CD1-CD2 3.63Å; L202-Y230 HydrophobicContact CD1-CE2 4.26Å; L202-Y230 HydrophobicContact CD1-CG 4.09Å; L202-Y230 HydrophobicContact CD2-CD1 4.48Å; L202-Y230 HydrophobicContact CD2-CD2 3.94Å; L202-Y230 HydrophobicContact CD2-CE1 4.49Å; L202-Y230 HydrophobicContact CD2-CE2 3.93Å; L202-Y230 HydrophobicContact CD2-CG 4.21Å; L202-Y230 HydrophobicContact CG-CD2 4.36Å; L209-Y230 PolarHBondContact O-OH 2.82Å; N226-Y230 WeakPolarHBondContact O-CD2 3.49Å; N226-Y230 PolarHBondContact O-N 2.72Å; R228-Y230 PolarHBondContact O-N 3.35Å; Y230-A233 PolarHBondContact O-N 3.19Å; Y230-L234 PolarHBondContact O-N 3.49Å
231	A	93.5	Very high	90	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.8	-39.8	177.3	0	0	0	0	0	112	V195 V198 F227 R228 A233 L234 L235 I534	V195-A231 HydrophobicContact CG2-CB 4.09Å; V198-A231 HydrophobicContact CG2-CB 3.94Å; F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 2.84Å; R228-A231 PolarHBondContact O-N 2.89Å; A231-A233 VanDerWaalsContact C-N 3.27Å; A231-A233 PolarHBondContact O-N 3.03Å; A231-L234 PolarHBondContact O-N 2.84Å; A231-L235 WeakPolarHBondContact O-CB 3.35Å; A231-L235 PolarHBondContact O-N 3.47Å; A231-I534 HydrophobicContact CB-CD1 4.11Å; A231-I534 HydrophobicContact CB-CG1 4.33Å; A231-I534 HydrophobicContact CB-CG2 3.56Å
232	S	94.5	Very high	90.4	Very high	27 Å²	27	39.7 Å²	39.7	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-37.7	171.1	-56.3	0	0	0	0	111.5	R228 L235 L236 E531	R228-S232 PolarHBondContact O-N 2.89Å; R228-S232 PolarHBondContact O-OG 3.07Å; R228-S232 VanDerWaalsContact O-OG 3.07Å; S232-L235 PolarHBondContact O-N 3.02Å; S232-L236 WeakPolarHBondContact O-CB 3.23Å; S232-L236 PolarHBondContact O-N 2.83Å; S232-E531 WeakPolarHBondContact CB-OE1 3.44Å; S232-E531 WeakPolarHBondContact CB-OE2 3.34Å; S232-E531 VanDerWaalsContact OG-CD 3.27Å; S232-E531 PolarHBondContact OG-OE1 2.95Å; S232-E531 PolarHBondContact OG-OE2 2.89Å
233	A	94.2	Very high	90.7	Very high	57 Å²	57	39.6 Å²	39.6	47%	0.471	22%	0.219	S	C	.	.	H	α-helix	trans	-66.9	-42.2	175.5	0	0	0	0	0	112.9	V229 Y230 A231 L236 L237	V229-A233 WeakPolarHBondContact O-CB 3.19Å; V229-A233 PolarHBondContact O-N 2.96Å; V229-A233 VanDerWaalsContact O-N 3.17Å; Y230-A233 PolarHBondContact O-N 3.19Å; A231-A233 VanDerWaalsContact C-N 3.27Å; A231-A233 PolarHBondContact O-N 3.03Å; A233-L236 PolarHBondContact O-N 2.83Å; A233-L237 PolarHBondContact O-N 2.93Å; A233-L237 VanDerWaalsContact O-N 3.1Å
234	L	93.4	Very high	90.8	Very high	29 Å²	29	43 Å²	43	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-37.9	173.5	-70.4	-175.3	0	0	0	112.3	L194 V198 Y230 A231 L236 L237 E238	L194-L234 HydrophobicContact CD2-CB 3.85Å; V198-L234 HydrophobicContact CG2-CD1 3.67Å; V198-L234 HydrophobicContact CG2-CG 4.44Å; Y230-L234 PolarHBondContact O-N 3.49Å; A231-L234 PolarHBondContact O-N 2.84Å; L234-L236 VanDerWaalsContact C-N 3.3Å; L234-L236 PolarHBondContact O-N 3.44Å; L234-L237 HydrophobicContact CD2-CD2 4.29Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 2.79Å; L234-E238 PolarHBondContact O-N 3.31Å
235	L	95.2	Very high	90.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-41.3	174.3	-179.8	58.6	0	0	0	111.5	T190 L194 A231 S232 E238 F239 L488 T527 A530 E531 I534	T190-L235 HydrophobicContact CG2-CD1 4.45Å; L194-L235 HydrophobicContact CD1-CB 3.72Å; L194-L235 HydrophobicContact CD1-CD1 3.7Å; L194-L235 HydrophobicContact CD1-CG 4.24Å; A231-L235 WeakPolarHBondContact O-CB 3.35Å; A231-L235 PolarHBondContact O-N 3.47Å; S232-L235 PolarHBondContact O-N 3.02Å; L235-E238 PolarHBondContact O-N 3.33Å; L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.46Å; L235-F239 PolarHBondContact O-N 3.32Å; L235-L488 HydrophobicContact CD1-CD2 4.31Å; L235-T527 HydrophobicContact CD1-CG2 4.36Å; L235-T527 HydrophobicContact CD2-CG2 4.03Å; L235-T527 HydrophobicContact CG-CG2 3.99Å; L235-A530 HydrophobicContact CD1-CB 4.14Å; L235-A530 HydrophobicContact CD2-CB 3.94Å; L235-E531 HydrophobicContact CD2-CB 3.97Å; L235-I534 HydrophobicContact CB-CD1 3.84Å; L235-I534 HydrophobicContact CD2-CD1 3.69Å; L235-I534 HydrophobicContact CG-CD1 4.3Å
236	L	94.7	Very high	89.2	Confident	115 Å²	115	38.2 Å²	38.2	60%	0.602	21%	0.213	S	C	*	.	H	α-helix	trans	-67.2	-38	176.4	-173.5	145.9	0	0	0	111.9	S232 A233 L234 C240	S232-L236 WeakPolarHBondContact O-CB 3.23Å; S232-L236 PolarHBondContact O-N 2.83Å; A233-L236 PolarHBondContact O-N 2.83Å; L234-L236 VanDerWaalsContact C-N 3.3Å; L234-L236 PolarHBondContact O-N 3.44Å; L236-C240 PolarHBondContact O-N 3.44Å; L236-C240 VanDerWaalsContact O-N 3.07Å; L236-C240 PolarHBondContact O-SG 3.44Å; L236-C240 VanDerWaalsContact O-SG 3.36Å
237	L	93.2	Very high	88.1	Confident	86 Å²	86	43.8 Å²	43.8	45%	0.45	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-47.7	173.1	178.7	63.2	0	0	0	111.7	A233 L234 C240 I241	A233-L237 PolarHBondContact O-N 2.93Å; A233-L237 VanDerWaalsContact O-N 3.1Å; L234-L237 HydrophobicContact CD2-CD2 4.29Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 2.79Å; L237-C240 WeakPolarHBondContact O-CB 3.35Å; L237-C240 PolarHBondContact O-N 3.35Å; L237-I241 HydrophobicContact CD1-CD1 4.48Å; L237-I241 HydrophobicContact CG-CD1 4.22Å; L237-I241 WeakPolarHBondContact O-CG1 3.15Å; L237-I241 PolarHBondContact O-N 3.33Å
238	E	92.4	Very high	87.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-41.6	176.9	-73.5	-164.3	-168.1	0	0	112.1	L194 L234 L235 C240 I241 V242 F481 A484 L485 L488	L194-E238 HydrophobicContact CD2-CG 4.48Å; L194-E238 WeakPolarHBondContact CD2-OE1 3.27Å; L234-E238 PolarHBondContact O-N 3.31Å; L235-E238 PolarHBondContact O-N 3.33Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.82Å; E238-I241 PolarHBondContact O-N 2.97Å; E238-V242 WeakPolarHBondContact O-CG2 3.38Å; E238-V242 PolarHBondContact O-N 3.41Å; E238-F481 HydrophobicContact CG-CD2 4.09Å; E238-F481 HydrophobicContact CG-CE2 3.61Å; E238-F481 HydrophobicContact CG-CZ 4.38Å; E238-F481 WeakPolarHBondContact OE1-CD2 3.26Å; E238-A484 VanDerWaalsContact OE1-CB 3.31Å; E238-A484 WeakPolarHBondContact OE1-CB 3.39Å; E238-A484 VanDerWaalsContact OE2-C 3.26Å; E238-A484 VanDerWaalsContact OE2-CB 3.28Å; E238-A484 WeakPolarHBondContact OE2-CB 3.45Å; E238-L485 HydrophobicContact CB-CD2 3.77Å; E238-L485 HydrophobicContact CG-CD2 3.63Å; E238-L485 HydrophobicContact CG-CG 4Å; E238-L485 PolarHBondContact OE2-N 3.38Å; E238-L485 VanDerWaalsContact OE2-N 3.14Å; E238-L488 HydrophobicContact CB-CD2 3.75Å
239	F	92.6	Very high	86.2	Confident	36 Å²	36	46 Å²	46	16%	0.158	25%	0.25	C	C	.	.	H	α-helix	trans	-53.8	-44.9	171.8	168.3	-96.8	0	0	0	111.5	L235 A243 F520 L523 L524 T527	L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.46Å; L235-F239 PolarHBondContact O-N 3.32Å; F239-A243 WeakPolarHBondContact O-CB 3.35Å; F239-A243 PolarHBondContact O-N 2.94Å; F239-F520 HydrophobicContact CE2-CE2 4.3Å; F239-F520 AromaticContact CZ-CE2 3.71Å; F239-F520 HydrophobicContact CZ-CE2 3.71Å; F239-F520 AromaticContact CZ-CZ 3.87Å; F239-F520 HydrophobicContact CZ-CZ 3.87Å; F239-L523 HydrophobicContact CD2-CD1 4.33Å; F239-L523 HydrophobicContact CD2-CD2 3.85Å; F239-L523 HydrophobicContact CD2-CG 3.71Å; F239-L523 HydrophobicContact CE2-CD2 3.87Å; F239-L523 HydrophobicContact CE2-CG 3.81Å; F239-L524 HydrophobicContact CE2-CD1 4.48Å; F239-L524 HydrophobicContact CZ-CD1 4.46Å; F239-T527 HydrophobicContact CB-CG2 4.39Å; F239-T527 HydrophobicContact CD2-CG2 4.27Å; F239-T527 WeakPolarHBondContact CD2-OG1 3.21Å; F239-T527 HydrophobicContact CG-CG2 4.47Å
240	C	91.1	Very high	85	Confident	57 Å²	57	43.2 Å²	43.2	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-40.3	175.5	-73.4	0	0	0	0	112.7	L236 L237 E238 M244	L236-C240 PolarHBondContact O-N 3.44Å; L236-C240 VanDerWaalsContact O-N 3.07Å; L236-C240 PolarHBondContact O-SG 3.44Å; L236-C240 VanDerWaalsContact O-SG 3.36Å; L237-C240 WeakPolarHBondContact O-CB 3.35Å; L237-C240 PolarHBondContact O-N 3.35Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.82Å; C240-M244 WeakPolarHBondContact O-CG 2.9Å; C240-M244 PolarHBondContact O-N 3.37Å
241	I	88.4	Confident	84	Confident	26 Å²	26	45.1 Å²	45.1	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-49.2	176.9	-67.5	165.1	0	0	0	110.9	L237 E238 A243 M244 G245 V249 F481 L485	L237-I241 HydrophobicContact CD1-CD1 4.48Å; L237-I241 HydrophobicContact CG-CD1 4.22Å; L237-I241 WeakPolarHBondContact O-CG1 3.15Å; L237-I241 PolarHBondContact O-N 3.33Å; E238-I241 PolarHBondContact O-N 2.97Å; I241-A243 PolarHBondContact O-N 2.97Å; I241-M244 HydrophobicContact CG1-CE 4.42Å; I241-M244 PolarHBondContact O-N 3.16Å; I241-G245 PolarHBondContact O-N 2.89Å; I241-V249 HydrophobicContact CG2-CG2 3.99Å; I241-F481 HydrophobicContact CD1-CZ 3.77Å; I241-L485 HydrophobicContact CB-CD2 4.29Å; I241-L485 HydrophobicContact CG2-CD2 4.06Å
242	V	86.6	Confident	83.2	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-39.1	178.8	-178.9	0	0	0	0	111.1	E238 M244 G245 V246 V249 L485 L488 L523	E238-V242 WeakPolarHBondContact O-CG2 3.38Å; E238-V242 PolarHBondContact O-N 3.41Å; V242-M244 VanDerWaalsContact C-N 3.33Å; V242-M244 PolarHBondContact O-N 2.88Å; V242-G245 WeakPolarHBondContact O-CA 3.44Å; V242-G245 PolarHBondContact O-N 3.23Å; V242-G245 VanDerWaalsContact O-N 3.14Å; V242-V246 HydrophobicContact CG1-CG2 4.44Å; V242-V249 HydrophobicContact CG2-CG2 4.25Å; V242-L485 HydrophobicContact CG2-CD2 4Å; V242-L488 HydrophobicContact CG2-CB 4.43Å; V242-L488 HydrophobicContact CG2-CD2 4.05Å; V242-L488 HydrophobicContact CG2-CG 4.14Å; V242-L523 HydrophobicContact CB-CD1 4.23Å; V242-L523 HydrophobicContact CB-CD2 4.21Å; V242-L523 HydrophobicContact CG1-CD1 3.82Å; V242-L523 HydrophobicContact CG1-CD2 3.97Å
243	A	85.8	Confident	82.2	Confident	35 Å²	35	49.1 Å²	49.1	29%	0.289	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-27.3	177.1	0	0	0	0	0	113.9	F239 I241 G245 F520 L523	F239-A243 WeakPolarHBondContact O-CB 3.35Å; F239-A243 PolarHBondContact O-N 2.94Å; I241-A243 PolarHBondContact O-N 2.97Å; A243-G245 VanDerWaalsContact C-N 3.34Å; A243-F520 HydrophobicContact CB-CD2 4.23Å; A243-F520 HydrophobicContact CB-CE2 4.06Å; A243-L523 HydrophobicContact CB-CD2 3.99Å
244	M	82.1	Confident	81.5	Confident	99 Å²	99	47.7 Å²	47.7	49%	0.488	24%	0.244	S	C	.	.	H	α-helix	trans	-68.6	-34.1	171.1	-76.6	-172.5	-70.3	0	0	112	C240 I241 V242 F248 R516	C240-M244 WeakPolarHBondContact O-CG 2.9Å; C240-M244 PolarHBondContact O-N 3.37Å; I241-M244 HydrophobicContact CG1-CE 4.42Å; I241-M244 PolarHBondContact O-N 3.16Å; V242-M244 VanDerWaalsContact C-N 3.33Å; V242-M244 PolarHBondContact O-N 2.88Å; M244-F248 HydrophobicContact CB-CD2 4.49Å; M244-R516 PolarHBondContact O-NH1 3.39Å
245	G	71.1	Confident	81	Confident	7 Å²	7	50.2 Å²	50.2	7%	0.072	26%	0.257	C	S	.	.			trans	141.4	141.8	168.4	0	0	0	0	0	113.3	I241 V242 A243 K247 F248	I241-G245 PolarHBondContact O-N 2.89Å; V242-G245 WeakPolarHBondContact O-CA 3.44Å; V242-G245 PolarHBondContact O-N 3.23Å; V242-G245 VanDerWaalsContact O-N 3.14Å; A243-G245 VanDerWaalsContact C-N 3.34Å; G245-K247 PolarHBondContact O-N 3.24Å; G245-F248 PolarHBondContact O-N 3.22Å; G245-F248 VanDerWaalsContact O-N 3.14Å
246	V	68.6	Low	80.6	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.03	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	-169.8	171.9	0	0	0	0	113.5	L78 V242 F248 V249 Q250 C489 E518	L78-V246 HydrophobicContact CD1-CG1 3.99Å; V242-V246 HydrophobicContact CG1-CG2 4.44Å; V246-F248 PolarHBondContact O-N 3.48Å; V246-F248 VanDerWaalsContact O-N 3.13Å; V246-V249 PolarHBondContact O-N 3Å; V246-Q250 HydrophobicContact CG1-CG 3.87Å; V246-Q250 WeakPolarHBondContact O-CG 3.01Å; V246-Q250 PolarHBondContact O-N 2.93Å; V246-C489 HydrophobicContact CG2-CB 4.35Å; V246-E518 WeakPolarHBondContact CB-OE1 3.39Å; V246-E518 WeakPolarHBondContact CG2-OE1 3.48Å; V246-E518 WeakPolarHBondContact CG2-OE2 3.42Å; V246-E518 PolarHBondContact N-OE1 3.47Å
247	K	66.5	Low	80.1	Confident	123 Å²	123	45.7 Å²	45.7	54%	0.535	23%	0.234	S	C	.	.	H	α-helix	trans	-54.4	-31.1	174	-59.4	-169.6	179.8	-168.1	0	113.6	T77 G245 F251	T77-K247 HydrophobicContact CG2-CB 4.27Å; T77-K247 HydrophobicContact CG2-CD 3.81Å; T77-K247 HydrophobicContact CG2-CG 3.86Å; G245-K247 PolarHBondContact O-N 3.24Å; K247-F251 PolarHBondContact O-N 3.22Å
248	F	70	Confident	79.9	Confident	113 Å²	113	44.1 Å²	44.1	50%	0.496	23%	0.234	S	C	.	.	H	α-helix	trans	-71.7	-43.3	173.4	-72.6	-76.5	0	0	0	112.2	M244 G245 V246 Q250 F251 F252	M244-F248 HydrophobicContact CB-CD2 4.49Å; G245-F248 PolarHBondContact O-N 3.22Å; G245-F248 VanDerWaalsContact O-N 3.14Å; V246-F248 PolarHBondContact O-N 3.48Å; V246-F248 VanDerWaalsContact O-N 3.13Å; F248-Q250 VanDerWaalsContact C-N 3.32Å; F248-Q250 PolarHBondContact O-N 2.93Å; F248-F251 WeakPolarHBondContact O-CB 3.17Å; F248-F251 PolarHBondContact O-N 3.48Å; F248-F251 VanDerWaalsContact O-N 3.13Å; F248-F252 VanDerWaalsContact O-CD2 3.31Å; F248-F252 WeakPolarHBondContact O-CD2 3.33Å; F248-F252 PolarHBondContact O-N 2.83Å; F248-F252 VanDerWaalsContact O-N 3.1Å
249	V	70.3	Confident	79.8	Confident	11 Å²	11	46 Å²	46	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-40.3	178.6	178.2	0	0	0	0	111.2	I241 V242 V246 F251 F252 A253 L485	I241-V249 HydrophobicContact CG2-CG2 3.99Å; V242-V249 HydrophobicContact CG2-CG2 4.25Å; V246-V249 PolarHBondContact O-N 3Å; V249-F251 VanDerWaalsContact C-N 3.26Å; V249-F251 PolarHBondContact O-N 3.07Å; V249-F252 PolarHBondContact O-N 3.32Å; V249-F252 VanDerWaalsContact O-N 3.15Å; V249-A253 PolarHBondContact O-N 2.78Å; V249-L485 HydrophobicContact CG1-CB 3.84Å; V249-L485 HydrophobicContact CG2-CB 4.37Å; V249-L485 HydrophobicContact CG2-CD1 4.46Å; V249-L485 HydrophobicContact CG2-CD2 4.08Å
250	Q	67.6	Low	79.6	Confident	17 Å²	17	44.4 Å²	44.4	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-22.1	177.1	-60	-178.6	-74.4	0	0	113.2	F76 L78 V246 F248 P254	F76-Q250 HydrophobicContact CB-CB 4.09Å; F76-Q250 HydrophobicContact CD1-CB 4.26Å; F76-Q250 PolarHBondContact O-NE2 2.94Å; F76-Q250 PolarHBondContact O-OE1 3.44Å; L78-Q250 VanDerWaalsContact CD1-NE2 3.32Å; V246-Q250 HydrophobicContact CG1-CG 3.87Å; V246-Q250 WeakPolarHBondContact O-CG 3.01Å; V246-Q250 PolarHBondContact O-N 2.93Å; F248-Q250 VanDerWaalsContact C-N 3.32Å; F248-Q250 PolarHBondContact O-N 2.93Å; Q250-P254 VanDerWaalsContact O-CD 3.31Å; Q250-P254 WeakPolarHBondContact O-CD 3.37Å
251	F	72.4	Confident	79.6	Confident	97 Å²	97	44.8 Å²	44.8	43%	0.425	24%	0.24	S	C	.	.	H	α-helix	trans	-75	-39.6	168.8	177.6	-84.5	0	0	0	111.9	L73 K247 F248 V249 P254 I255	L73-F251 HydrophobicContact CD1-CD2 4.09Å; L73-F251 HydrophobicContact CD1-CE2 3.86Å; L73-F251 HydrophobicContact CD2-CD2 3.56Å; L73-F251 HydrophobicContact CD2-CE2 3.98Å; L73-F251 HydrophobicContact CG-CD2 4.47Å; K247-F251 PolarHBondContact O-N 3.22Å; F248-F251 WeakPolarHBondContact O-CB 3.17Å; F248-F251 PolarHBondContact O-N 3.48Å; F248-F251 VanDerWaalsContact O-N 3.13Å; V249-F251 VanDerWaalsContact C-N 3.26Å; V249-F251 PolarHBondContact O-N 3.07Å; F251-P254 WeakPolarHBondContact O-CD 3.14Å; F251-I255 HydrophobicContact CD1-CD1 4.07Å; F251-I255 HydrophobicContact CE1-CD1 3.65Å; F251-I255 HydrophobicContact CZ-CD1 4.35Å
252	F	77.1	Confident	79.8	Confident	95 Å²	95	48.9 Å²	48.9	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-73.9	-29.8	178.1	-81.3	-70.6	0	0	0	114.1	F248 V249 I255 S256	F248-F252 VanDerWaalsContact O-CD2 3.31Å; F248-F252 WeakPolarHBondContact O-CD2 3.33Å; F248-F252 PolarHBondContact O-N 2.83Å; F248-F252 VanDerWaalsContact O-N 3.1Å; V249-F252 PolarHBondContact O-N 3.32Å; V249-F252 VanDerWaalsContact O-N 3.15Å; F252-I255 HydrophobicContact CD1-CD1 4.43Å; F252-I255 WeakPolarHBondContact O-CB 3.43Å; F252-I255 PolarHBondContact O-N 2.72Å; F252-S256 PolarHBondContact O-N 2.86Å
253	A	73.6	Confident	80.1	Confident	16 Å²	16	48.5 Å²	48.5	13%	0.132	26%	0.258	C	S	.	.	H	α-helix	trans	-47.1	-59.5	-179.9	0	0	0	0	0	114.1	Q107 V249 I255 S256 L257	Q107-A253 PolarHBondContact OE1-O 3.27Å; V249-A253 PolarHBondContact O-N 2.78Å; A253-I255 PolarHBondContact O-N 2.88Å; A253-S256 PolarHBondContact O-N 3.44Å; A253-S256 PolarHBondContact O-OG 3.15Å; A253-L257 PolarHBondContact O-N 3.48Å
254	P	77.9	Confident	80.4	Confident	26 Å²	26	47.4 Å²	47.4	17%	0.169	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-26.2	179.1	26.6	-36.7	0	0	0	113.9	Y72 Q250 F251 A258	Y72-P254 HydrophobicContact CE1-CB 3.86Å; Y72-P254 HydrophobicContact CE1-CG 4Å; Q250-P254 VanDerWaalsContact O-CD 3.31Å; Q250-P254 WeakPolarHBondContact O-CD 3.37Å; F251-P254 WeakPolarHBondContact O-CD 3.14Å; P254-A258 WeakPolarHBondContact O-CB 3.34Å; P254-A258 PolarHBondContact O-N 3.26Å
255	I	84.9	Confident	81	Confident	82 Å²	82	46.9 Å²	46.9	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-70.3	-47.9	176.1	-55.6	176	0	0	0	109.6	F251 F252 A253 L257 A258 C259	F251-I255 HydrophobicContact CD1-CD1 4.07Å; F251-I255 HydrophobicContact CE1-CD1 3.65Å; F251-I255 HydrophobicContact CZ-CD1 4.35Å; F252-I255 HydrophobicContact CD1-CD1 4.43Å; F252-I255 WeakPolarHBondContact O-CB 3.43Å; F252-I255 PolarHBondContact O-N 2.72Å; A253-I255 PolarHBondContact O-N 2.88Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 3.22Å; I255-A258 PolarHBondContact O-N 2.98Å; I255-C259 PolarHBondContact O-N 3.03Å; I255-C259 VanDerWaalsContact O-N 3.1Å; I255-C259 PolarHBondContact O-SG 2.87Å; I255-C259 VanDerWaalsContact O-SG 3.39Å
256	S	85.1	Confident	82	Confident	8 Å²	8	46.9 Å²	46.9	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-42.1	176.6	69.4	0	0	0	0	112.1	Q107 F252 A253 A258 C259 V260 T478	Q107-S256 PolarHBondContact NE2-OG 3.49Å; F252-S256 PolarHBondContact O-N 2.86Å; A253-S256 PolarHBondContact O-N 3.44Å; A253-S256 PolarHBondContact O-OG 3.15Å; S256-A258 PolarHBondContact O-N 3.01Å; S256-C259 WeakPolarHBondContact O-CB 3.44Å; S256-C259 PolarHBondContact O-N 2.84Å; S256-V260 WeakPolarHBondContact O-CG2 3.24Å; S256-V260 PolarHBondContact O-N 3.22Å; S256-T478 WeakPolarHBondContact CB-O 3.4Å
257	L	85.8	Confident	83.2	Confident	13 Å²	13	46.6 Å²	46.6	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-36.7	176.6	-176.9	58.4	0	0	0	112.6	L103 V106 Q107 A253 I255 V260 V261	L103-L257 HydrophobicContact CB-CD2 3.77Å; L103-L257 HydrophobicContact CD2-CD2 3.72Å; L103-L257 HydrophobicContact CG-CD2 4.25Å; V106-L257 HydrophobicContact CG1-CD1 4.15Å; Q107-L257 HydrophobicContact CB-CB 4.5Å; Q107-L257 HydrophobicContact CB-CD1 4.2Å; Q107-L257 HydrophobicContact CB-CD2 4.44Å; Q107-L257 HydrophobicContact CG-CB 4.43Å; A253-L257 PolarHBondContact O-N 3.48Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 3.22Å; L257-V260 PolarHBondContact O-N 2.89Å; L257-V261 HydrophobicContact CD1-CG2 4.36Å; L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.92Å
258	A	88.8	Confident	84.5	Confident	54 Å²	54	43.3 Å²	43.3	45%	0.446	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-42.5	173.6	0	0	0	0	0	111.8	P254 I255 S256 V261 M262	P254-A258 WeakPolarHBondContact O-CB 3.34Å; P254-A258 PolarHBondContact O-N 3.26Å; I255-A258 PolarHBondContact O-N 2.98Å; S256-A258 PolarHBondContact O-N 3.01Å; A258-V261 PolarHBondContact O-N 2.8Å; A258-M262 WeakPolarHBondContact O-CG 3Å; A258-M262 PolarHBondContact O-N 2.95Å
259	C	89.4	Confident	85.6	Confident	38 Å²	38	40.9 Å²	40.9	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-41.1	174.5	-64.4	0	0	0	0	112.6	I255 S256 M262 S263 T478	I255-C259 PolarHBondContact O-N 3.03Å; I255-C259 VanDerWaalsContact O-N 3.1Å; I255-C259 PolarHBondContact O-SG 2.87Å; I255-C259 VanDerWaalsContact O-SG 3.39Å; S256-C259 WeakPolarHBondContact O-CB 3.44Å; S256-C259 PolarHBondContact O-N 2.84Å; C259-M262 PolarHBondContact O-N 3.14Å; C259-S263 PolarHBondContact O-N 3.01Å; C259-S263 PolarHBondContact O-OG 2.96Å; C259-T478 WeakPolarHBondContact CB-OG1 3.45Å
260	V	89.5	Confident	86.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-48.1	175.3	169.6	0	0	0	0	111.6	L110 S256 L257 M262 S263 I264 S479	L110-V260 HydrophobicContact CB-CG1 3.96Å; L110-V260 HydrophobicContact CD1-CG1 3.84Å; S256-V260 WeakPolarHBondContact O-CG2 3.24Å; S256-V260 PolarHBondContact O-N 3.22Å; L257-V260 PolarHBondContact O-N 2.89Å; V260-M262 VanDerWaalsContact C-N 3.34Å; V260-M262 PolarHBondContact O-N 2.92Å; V260-S263 WeakPolarHBondContact O-CB 3.36Å; V260-S263 PolarHBondContact O-N 2.77Å; V260-S263 VanDerWaalsContact O-N 3.14Å; V260-I264 HydrophobicContact CG1-CD1 3.8Å; V260-I264 WeakPolarHBondContact O-CG1 3.42Å; V260-I264 PolarHBondContact O-N 3.36Å; V260-S479 VanDerWaalsContact CG2-CB 3.43Å; V260-S479 WeakPolarHBondContact CG2-OG 3.5Å
261	V	90.9	Very high	87.7	Confident	66 Å²	66	39.6 Å²	39.6	40%	0.4	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-42.1	178.4	170.9	0	0	0	0	111.1	L257 A258 S263 I264 L265	L257-V261 HydrophobicContact CD1-CG2 4.36Å; L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.92Å; A258-V261 PolarHBondContact O-N 2.8Å; V261-S263 VanDerWaalsContact C-N 3.31Å; V261-S263 PolarHBondContact O-N 2.8Å; V261-I264 PolarHBondContact O-N 2.8Å; V261-L265 HydrophobicContact CG1-CD1 4.05Å; V261-L265 HydrophobicContact CG1-CG 4.5Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.38Å
262	M	92.2	Very high	88.5	Confident	111 Å²	111	42.7 Å²	42.7	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-36.8	174.7	-71.7	-59.5	-61.7	0	0	112.5	A258 C259 V260 S266	A258-M262 WeakPolarHBondContact O-CG 3Å; A258-M262 PolarHBondContact O-N 2.95Å; C259-M262 PolarHBondContact O-N 3.14Å; V260-M262 VanDerWaalsContact C-N 3.34Å; V260-M262 PolarHBondContact O-N 2.92Å; M262-S266 WeakPolarHBondContact O-CB 3.13Å; M262-S266 PolarHBondContact O-N 3.09Å
263	S	92.6	Very high	89.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-41.1	175.7	-57.2	0	0	0	0	112.4	C259 V260 V261 S266 I267 I471 G475	C259-S263 PolarHBondContact O-N 3.01Å; C259-S263 PolarHBondContact O-OG 2.96Å; V260-S263 WeakPolarHBondContact O-CB 3.36Å; V260-S263 PolarHBondContact O-N 2.77Å; V260-S263 VanDerWaalsContact O-N 3.14Å; V261-S263 VanDerWaalsContact C-N 3.31Å; V261-S263 PolarHBondContact O-N 2.8Å; S263-S266 WeakPolarHBondContact O-CB 3.46Å; S263-S266 PolarHBondContact O-N 2.72Å; S263-I267 WeakPolarHBondContact O-CG1 3.5Å; S263-I267 PolarHBondContact O-N 2.81Å; S263-I471 PolarHBondContact OG-O 2.96Å; S263-G475 WeakPolarHBondContact OG-CA 3.28Å
264	I	92.8	Very high	89.8	Confident	11 Å²	11	42 Å²	42	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-45	176.3	-70.8	166.6	0	0	0	110.9	L110 M114 V260 V261 S266 I267 Y268 I430 F434	L110-I264 HydrophobicContact CD1-CD1 3.8Å; L110-I264 HydrophobicContact CD2-CD1 4.34Å; M114-I264 HydrophobicContact CE-CD1 3.98Å; M114-I264 HydrophobicContact CE-CG1 3.9Å; M114-I264 HydrophobicContact SD-CD1 4.42Å; V260-I264 HydrophobicContact CG1-CD1 3.8Å; V260-I264 WeakPolarHBondContact O-CG1 3.42Å; V260-I264 PolarHBondContact O-N 3.36Å; V261-I264 PolarHBondContact O-N 2.8Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 2.58Å; I264-I267 PolarHBondContact O-N 3Å; I264-Y268 HydrophobicContact CG2-CD2 3.89Å; I264-Y268 HydrophobicContact CG2-CE2 3.46Å; I264-Y268 VanDerWaalsContact CG2-CE2 3.46Å; I264-Y268 WeakPolarHBondContact O-CD2 3.37Å; I264-Y268 PolarHBondContact O-N 2.79Å; I264-Y268 VanDerWaalsContact O-N 3.13Å; I264-I430 HydrophobicContact CD1-CD1 4.39Å; I264-F434 HydrophobicContact CB-CZ 4.31Å; I264-F434 HydrophobicContact CG1-CE2 4.49Å; I264-F434 HydrophobicContact CG1-CZ 4.12Å; I264-F434 HydrophobicContact CG2-CE1 4.41Å; I264-F434 HydrophobicContact CG2-CZ 3.99Å
265	L	93.5	Very high	90.1	Very high	89 Å²	89	43.1 Å²	43.1	47%	0.466	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-39.2	174.9	-68.5	171.7	0	0	0	111.8	V261 I267 Y268 V269	V261-L265 HydrophobicContact CG1-CD1 4.05Å; V261-L265 HydrophobicContact CG1-CG 4.5Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.38Å; L265-I267 PolarHBondContact O-N 2.93Å; L265-Y268 PolarHBondContact O-N 3.25Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.49Å
266	S	93.6	Very high	89.9	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-36.8	176.4	179.3	0	0	0	0	112.8	M262 S263 I264 G270 G465 W466 L472	M262-S266 WeakPolarHBondContact O-CB 3.13Å; M262-S266 PolarHBondContact O-N 3.09Å; S263-S266 WeakPolarHBondContact O-CB 3.46Å; S263-S266 PolarHBondContact O-N 2.72Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 2.58Å; S266-G270 PolarHBondContact O-N 3.42Å; S266-G465 WeakPolarHBondContact OG-CA 3.43Å; S266-W466 WeakPolarHBondContact CB-O 3.44Å; S266-W466 PolarHBondContact O-N 2.92Å; S266-W466 PolarHBondContact OG-N 3.37Å; S266-W466 PolarHBondContact OG-O 3.16Å; S266-L472 VanDerWaalsContact OG-CD1 3.26Å; S266-L472 WeakPolarHBondContact OG-CD1 3.5Å
267	I	92.9	Very high	89.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-51.4	171.3	-70.3	166.7	0	0	0	111	F115 S263 I264 L265 V269 G270 A271 F434 V437 F438 V461 L464 L472	F115-I267 HydrophobicContact CD1-CD1 4.25Å; F115-I267 HydrophobicContact CE1-CD1 4Å; S263-I267 WeakPolarHBondContact O-CG1 3.5Å; S263-I267 PolarHBondContact O-N 2.81Å; I264-I267 PolarHBondContact O-N 3Å; L265-I267 PolarHBondContact O-N 2.93Å; I267-V269 PolarHBondContact O-N 3.17Å; I267-G270 PolarHBondContact O-N 3.35Å; I267-A271 WeakPolarHBondContact O-CB 3.12Å; I267-A271 PolarHBondContact O-N 3.48Å; I267-F434 HydrophobicContact CB-CE1 4.35Å; I267-F434 HydrophobicContact CB-CZ 4.11Å; I267-F434 HydrophobicContact CD1-CE2 3.85Å; I267-F434 HydrophobicContact CD1-CZ 3.77Å; I267-F434 HydrophobicContact CG2-CD1 4.38Å; I267-F434 HydrophobicContact CG2-CE1 3.78Å; I267-F434 HydrophobicContact CG2-CZ 3.89Å; I267-V437 HydrophobicContact CG2-CG1 4.42Å; I267-F438 HydrophobicContact CG2-CE1 4.1Å; I267-V461 HydrophobicContact CD1-CG1 3.84Å; I267-V461 HydrophobicContact CG1-CG1 4.21Å; I267-L464 HydrophobicContact CG2-CD2 4.22Å; I267-L472 HydrophobicContact CD1-CD2 4.25Å; I267-L472 HydrophobicContact CG1-CD2 3.7Å; I267-L472 HydrophobicContact CG1-CG 4.31Å
268	Y	93.7	Very high	89.4	Confident	53 Å²	53	52.8 Å²	52.8	21%	0.208	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-43.8	-178.8	-71.2	-58.5	0	0	0	112.4	I264 L265 F272 S433 F434 V437	I264-Y268 HydrophobicContact CG2-CD2 3.89Å; I264-Y268 HydrophobicContact CG2-CE2 3.46Å; I264-Y268 VanDerWaalsContact CG2-CE2 3.46Å; I264-Y268 WeakPolarHBondContact O-CD2 3.37Å; I264-Y268 PolarHBondContact O-N 2.79Å; I264-Y268 VanDerWaalsContact O-N 3.13Å; L265-Y268 PolarHBondContact O-N 3.25Å; Y268-F272 WeakPolarHBondContact O-CD2 3.31Å; Y268-S433 PolarHBondContact OH-OG 2.93Å; Y268-F434 HydrophobicContact CD1-CE1 4.18Å; Y268-F434 HydrophobicContact CD2-CE1 4.41Å; Y268-F434 AromaticContact CE1-CD1 3.9Å; Y268-F434 HydrophobicContact CE1-CD1 3.9Å; Y268-F434 AromaticContact CE1-CE1 3.67Å; Y268-F434 HydrophobicContact CE1-CE1 3.67Å; Y268-F434 AromaticContact CE2-CE1 3.95Å; Y268-F434 HydrophobicContact CE2-CE1 3.95Å; Y268-F434 AromaticContact CZ-CE1 3.55Å; Y268-V437 HydrophobicContact CD1-CG2 4.33Å; Y268-V437 HydrophobicContact CE1-CG2 4.37Å
269	V	93.5	Very high	89.2	Confident	62 Å²	62	51.1 Å²	51.1	38%	0.376	29%	0.288	S	S	.	.	H	α-helix	trans	-66.4	-44.4	178.3	174.3	0	0	0	0	110.6	L265 I267 A271 F272 V273 W466	L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.49Å; I267-V269 PolarHBondContact O-N 3.17Å; V269-A271 PolarHBondContact O-N 2.89Å; V269-F272 PolarHBondContact O-N 2.88Å; V269-F272 VanDerWaalsContact O-N 3.15Å; V269-V273 HydrophobicContact CG1-CG2 4.02Å; V269-V273 VanDerWaalsContact O-CG2 3.31Å; V269-V273 WeakPolarHBondContact O-CG2 3.37Å; V269-V273 PolarHBondContact O-N 2.9Å; V269-W466 HydrophobicContact CB-CE3 4.4Å; V269-W466 HydrophobicContact CG1-CB 4.46Å; V269-W466 HydrophobicContact CG1-CD2 3.97Å; V269-W466 HydrophobicContact CG1-CE3 3.47Å; V269-W466 VanDerWaalsContact CG1-CE3 3.47Å; V269-W466 HydrophobicContact CG1-CG 4.39Å; V269-W466 HydrophobicContact CG1-CZ3 4.06Å
270	G	91.2	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-43.6	176.9	0	0	0	0	0	113	S266 I267 F272 V273 T274 L464	S266-G270 PolarHBondContact O-N 3.42Å; I267-G270 PolarHBondContact O-N 3.35Å; G270-F272 PolarHBondContact O-N 3.48Å; G270-F272 VanDerWaalsContact O-N 3.1Å; G270-V273 PolarHBondContact O-N 2.83Å; G270-T274 PolarHBondContact O-N 2.99Å; G270-T274 PolarHBondContact O-OG1 3.47Å; G270-T274 VanDerWaalsContact O-OG1 3.05Å; G270-L464 WeakPolarHBondContact CA-O 3.11Å
271	A	90.2	Very high	88.8	Confident	1 Å²	1	55 Å²	55	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-27.9	176	0	0	0	0	0	114.7	I267 V269 F346 V437 T441	I267-A271 WeakPolarHBondContact O-CB 3.12Å; I267-A271 PolarHBondContact O-N 3.48Å; V269-A271 PolarHBondContact O-N 2.89Å; A271-F346 HydrophobicContact CB-CE2 3.82Å; A271-F346 HydrophobicContact CB-CZ 4.26Å; A271-F346 WeakPolarHBondContact O-CD2 3.26Å; A271-F346 WeakPolarHBondContact O-CE2 3.35Å; A271-V437 HydrophobicContact CB-CG1 3.6Å; A271-T441 HydrophobicContact CB-CG2 4.17Å
272	F	89.7	Confident	88.6	Confident	162 Å²	162	52 Å²	52	71%	0.711	29%	0.287	S	S	*	.	H	α-helix	trans	-94.7	-16.7	174.3	-69.5	-65.4	0	0	0	114.4	Y268 V269 G270 F346	Y268-F272 WeakPolarHBondContact O-CD2 3.31Å; V269-F272 PolarHBondContact O-N 2.88Å; V269-F272 VanDerWaalsContact O-N 3.15Å; G270-F272 PolarHBondContact O-N 3.48Å; G270-F272 VanDerWaalsContact O-N 3.1Å; F272-F346 AromaticContact CD1-CD2 3.96Å; F272-F346 HydrophobicContact CD1-CD2 3.96Å; F272-F346 AromaticContact CD1-CE2 3.93Å; F272-F346 HydrophobicContact CD1-CE2 3.93Å; F272-F346 AromaticContact CE1-CD2 3.99Å; F272-F346 HydrophobicContact CE1-CD2 3.99Å; F272-F346 AromaticContact CE1-CE2 3.72Å; F272-F346 HydrophobicContact CE1-CE2 3.72Å; F272-F346 HydrophobicContact CG-CE2 4.46Å; F272-F346 HydrophobicContact CZ-CE2 4.1Å
273	V	90.9	Very high	88.5	Confident	73 Å²	73	46.8 Å²	46.8	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-94.9	-31.7	-179.1	171.1	0	0	0	0	112.2	V269 G270 S275 W466	V269-V273 HydrophobicContact CG1-CG2 4.02Å; V269-V273 VanDerWaalsContact O-CG2 3.31Å; V269-V273 WeakPolarHBondContact O-CG2 3.37Å; V269-V273 PolarHBondContact O-N 2.9Å; G270-V273 PolarHBondContact O-N 2.83Å; V273-S275 PolarHBondContact O-N 3.23Å; V273-W466 HydrophobicContact CG1-CG 4.39Å
274	T	86	Confident	88.3	Confident	25 Å²	25	47.7 Å²	47.7	15%	0.153	27%	0.266	C	S	.	.			trans	-68.5	131.7	-178.3	-57	0	0	0	0	111.7	G270 I343 G345	G270-T274 PolarHBondContact O-N 2.99Å; G270-T274 PolarHBondContact O-OG1 3.47Å; G270-T274 VanDerWaalsContact O-OG1 3.05Å; T274-I343 HydrophobicContact CG2-CB 4.24Å; T274-I343 HydrophobicContact CG2-CG2 3.79Å; T274-I343 WeakPolarHBondContact CG2-O 3.17Å; T274-G345 VanDerWaalsContact O-CA 3.3Å; T274-G345 WeakPolarHBondContact O-CA 3.3Å
275	S	84.6	Confident	88.1	Confident	48 Å²	48	47.1 Å²	47.1	34%	0.336	26%	0.263	S	S	.	.			trans	-133.3	165.6	171.2	64.4	0	0	0	0	110.6	V273 S277 T278 S279 P344	V273-S275 PolarHBondContact O-N 3.23Å; S275-S277 PolarHBondContact O-N 3.29Å; S275-S277 PolarHBondContact OG-OG 3.02Å; S275-T278 PolarHBondContact N-OG1 2.7Å; S275-T278 PolarHBondContact O-N 2.9Å; S275-T278 PolarHBondContact O-OG1 3.45Å; S275-S279 PolarHBondContact O-N 3.39Å; S275-P344 CarbonylContact C-O 3.51Å; S275-P344 WeakPolarHBondContact CA-O 3.42Å
276	D	81	Confident	87.8	Confident	103 Å²	103	43.8 Å²	43.8	55%	0.551	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-40.2	-47	177.5	-75.6	-56.3	0	0	0	113.8	T278 S279 A341 P344	D276-T278 VanDerWaalsContact C-N 3.26Å; D276-T278 PolarHBondContact O-N 3.05Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.8Å; D276-S279 PolarHBondContact O-OG 2.99Å; D276-A341 VanDerWaalsContact OD1-CB 3.3Å; D276-A341 WeakPolarHBondContact OD1-CB 3.25Å; D276-P344 PolarHBondContact N-O 2.95Å; D276-P344 VanDerWaalsContact N-O 3.16Å; D276-P344 WeakPolarHBondContact OD1-CB 3.46Å
277	S	79.7	Confident	87.4	Confident	115 Å²	115	49.8 Å²	49.8	80%	0.804	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-73.7	-11.2	-176.6	59.4	0	0	0	0	115.2	S275	S275-S277 PolarHBondContact O-N 3.29Å; S275-S277 PolarHBondContact OG-OG 3.02Å
278	T	81.6	Confident	87.3	Confident	89 Å²	89	51.1 Å²	51.1	55%	0.546	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-106.5	-3.2	174.1	59.1	0	0	0	0	112.8	S275 D276	S275-T278 PolarHBondContact N-OG1 2.7Å; S275-T278 PolarHBondContact O-N 2.9Å; S275-T278 PolarHBondContact O-OG1 3.45Å; D276-T278 VanDerWaalsContact C-N 3.26Å; D276-T278 PolarHBondContact O-N 3.05Å
279	S	83.1	Confident	87.1	Confident	18 Å²	18	48.9 Å²	48.9	13%	0.126	28%	0.278	C	S	.	.	S	Bend	trans	-79.1	152.5	-172.8	77.6	0	0	0	0	112.6	S275 D276 A341 I343	S275-S279 PolarHBondContact O-N 3.39Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.8Å; D276-S279 PolarHBondContact O-OG 2.99Å; S279-A341 VanDerWaalsContact OG-CA 3.32Å; S279-A341 WeakPolarHBondContact OG-CA 3.49Å; S279-A341 WeakPolarHBondContact OG-CB 3.48Å; S279-I343 WeakPolarHBondContact CB-O 3.37Å
280	P	84	Confident	86.8	Confident	35 Å²	35	46 Å²	46	23%	0.227	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.5	130.5	166.4	30.7	-33.7	0	0	0	109.9	G342 I343 L455 L463	P280-G342 WeakPolarHBondContact O-CA 3.32Å; P280-G342 PolarHBondContact O-N 3.49Å; P280-I343 HydrophobicContact CG-CD1 4.22Å; P280-I343 HydrophobicContact CG-CG1 4.13Å; P280-L455 HydrophobicContact CB-CD1 4.13Å; P280-L455 HydrophobicContact CB-CD2 3.93Å; P280-L455 HydrophobicContact CG-CD1 4.03Å; P280-L463 HydrophobicContact CB-CD1 4.4Å; P280-L463 HydrophobicContact CG-CD1 4.12Å
281	E	86.2	Confident	86.5	Confident	89 Å²	89	47.4 Å²	47.4	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.2	176.7	-57.9	-175.5	126.3	0	0	111.2	V300 L339	E281-V300 HydrophobicContact CB-CB 4.36Å; E281-V300 HydrophobicContact CB-CG2 4.4Å; E281-L339 HydrophobicContact CB-CD1 3.78Å; E281-L339 HydrophobicContact CB-CG 4.18Å; E281-L339 HydrophobicContact CG-CG 4.49Å; E281-L339 WeakPolarHBondContact OE1-CD2 3.44Å
282	I	88.4	Confident	85.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.6	172.8	54.4	169.6	0	0	0	111	M284 L289 T340 L446 L455	I282-M284 HydrophobicContact CD1-SD 4.31Å; I282-L289 HydrophobicContact CB-CD1 4.02Å; I282-L289 HydrophobicContact CD1-CD1 4.14Å; I282-L289 HydrophobicContact CG2-CD1 4.41Å; I282-T340 VanDerWaalsContact CG1-O 3.25Å; I282-T340 WeakPolarHBondContact CG1-O 3.47Å; I282-T340 WeakPolarHBondContact CG1-OG1 3.41Å; I282-T340 PolarHBondContact N-O 3.03Å; I282-T340 PolarHBondContact O-N 2.85Å; I282-L446 HydrophobicContact CD1-CB 4.41Å; I282-L446 HydrophobicContact CG2-CD1 4.49Å; I282-L446 HydrophobicContact CG2-CD2 4.48Å; I282-L455 HydrophobicContact CG2-CD1 4.27Å; I282-L455 HydrophobicContact CG2-CD2 3.65Å; I282-L455 HydrophobicContact CG2-CG 3.99Å
283	C	89.5	Confident	84.8	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.6	178.1	-167.3	0	0	0	0	111	L290 V300 W303 C304	C283-L290 PolarHBondContact O-N 2.91Å; C283-V300 HydrophobicContact CB-CG1 4.32Å; C283-W303 HydrophobicContact CB-CH2 3.75Å; C283-W303 HydrophobicContact CB-CZ3 3.82Å; C283-C304 HydrophobicContact CB-CB 3.81Å; C283-C304 WeakPolarHBondContact CB-SG 3.41Å; C283-C304 VanDerWaalsContact SG-CA 3.59Å; C283-C304 WeakPolarHBondContact SG-CB 3.48Å; C283-C304 CovalentContact SG-SG 2.04Å; C283-C304 PolarHBondContact SG-SG 2.85Å
284	M	88.3	Confident	83.3	Confident	19 Å²	19	44.7 Å²	44.7	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.2	-178.8	-65	-66	-64.9	0	0	110.9	I282 R288 L289 L337 S338 A445	I282-M284 HydrophobicContact CD1-SD 4.31Å; M284-R288 WeakPolarHBondContact CA-O 3.38Å; M284-L289 HydrophobicContact SD-CB 3.9Å; M284-L289 HydrophobicContact SD-CD1 3.62Å; M284-L289 HydrophobicContact SD-CG 4.38Å; M284-L337 CarbonylContact O-C 3.59Å; M284-L337 WeakPolarHBondContact O-CA 3.46Å; M284-L337 WeakPolarHBondContact O-CD1 3.5Å; M284-S338 PolarHBondContact N-O 3.31Å; M284-S338 PolarHBondContact O-N 2.93Å; M284-A445 HydrophobicContact CE-CB 3.95Å; M284-A445 HydrophobicContact SD-CB 4.12Å
285	L	88.7	Confident	81.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	96.2	169.1	-177	65.5	0	0	0	108.6	N287 R288 L290 Y316 F331 F332 L337	L285-N287 PolarHBondContact O-N 3.21Å; L285-N287 VanDerWaalsContact O-N 3.12Å; L285-R288 PolarHBondContact N-O 3.33Å; L285-R288 PolarHBondContact O-N 2.73Å; L285-L290 HydrophobicContact CB-CD1 4.29Å; L285-L290 HydrophobicContact CB-CD2 4.12Å; L285-L290 HydrophobicContact CB-CG 4.35Å; L285-Y316 HydrophobicContact CD2-CD1 4.26Å; L285-Y316 HydrophobicContact CD2-CE1 3.63Å; L285-Y316 HydrophobicContact CD2-CE2 4.08Å; L285-F331 HydrophobicContact CB-CE1 4.41Å; L285-F331 HydrophobicContact CD2-CD1 3.77Å; L285-F331 HydrophobicContact CD2-CE1 3.91Å; L285-F331 HydrophobicContact CG-CD1 4.09Å; L285-F331 HydrophobicContact CG-CE1 3.82Å; L285-F331 WeakPolarHBondContact O-CE1 3.43Å; L285-F332 HydrophobicContact CD1-CD2 3.89Å; L285-F332 HydrophobicContact CD1-CE2 4.47Å; L285-F332 HydrophobicContact CD2-CB 4.33Å; L285-F332 HydrophobicContact CD2-CD2 3.94Å; L285-L337 HydrophobicContact CB-CD1 4.02Å; L285-L337 HydrophobicContact CD1-CB 4.45Å; L285-L337 HydrophobicContact CD1-CD1 3.83Å
286	G	86.9	Confident	80.4	Confident	18 Å²	18	49.1 Å²	49.1	19%	0.186	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-116.1	-162.1	0	0	0	0	0	110.3	T336	G286-T336 PolarHBondContact N-O 2.9Å
287	N	86.1	Confident	79	Confident	133 Å²	133	53.8 Å²	53.8	71%	0.711	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.9	179.7	-63	5	0	0	0	114	L285	L285-N287 PolarHBondContact O-N 3.21Å; L285-N287 VanDerWaalsContact O-N 3.12Å
288	R	89.2	Confident	77.8	Confident	27 Å²	27	51.9 Å²	51.9	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.9	-179.9	-66.4	-171.6	-171.6	170.1	2.1	111.8	M284 L285 F331 V365 I369 E376	M284-R288 WeakPolarHBondContact CA-O 3.38Å; L285-R288 PolarHBondContact N-O 3.33Å; L285-R288 PolarHBondContact O-N 2.73Å; R288-F331 HydrophobicContact CB-CE1 4.26Å; R288-F331 HydrophobicContact CB-CZ 4.47Å; R288-F331 VanDerWaalsContact CD-CE1 3.5Å; R288-F331 HydrophobicContact CG-CE1 3.82Å; R288-F331 HydrophobicContact CG-CZ 3.71Å; R288-V365 HydrophobicContact CB-CG1 3.82Å; R288-V365 HydrophobicContact CG-CB 4.36Å; R288-V365 HydrophobicContact CG-CG1 3.75Å; R288-I369 VanDerWaalsContact NH2-CG2 3.3Å; R288-E376 WeakPolarHBondContact CD-OE1 3.31Å; R288-E376 IonicContact CZ-OE1 2.95Å; R288-E376 IonicContact NE-OE1 2.76Å; R288-E376 IonicContact NH1-OE1 3.3Å; R288-E376 PolarHBondContact NH1-OE1 2.93Å; R288-E376 IonicContact NH1-OE2 3.81Å
289	L	89.7	Confident	77.1	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.6	171.9	-177.1	62.8	0	0	0	110.2	I282 M284 V377 A445 D449	I282-L289 HydrophobicContact CB-CD1 4.02Å; I282-L289 HydrophobicContact CD1-CD1 4.14Å; I282-L289 HydrophobicContact CG2-CD1 4.41Å; M284-L289 HydrophobicContact SD-CB 3.9Å; M284-L289 HydrophobicContact SD-CD1 3.62Å; M284-L289 HydrophobicContact SD-CG 4.38Å; L289-V377 HydrophobicContact CB-CB 4.36Å; L289-V377 HydrophobicContact CB-CG2 4.33Å; L289-V377 HydrophobicContact CD2-CB 4.25Å; L289-V377 HydrophobicContact CD2-CG1 4.5Å; L289-V377 HydrophobicContact CD2-CG2 3.93Å; L289-V377 HydrophobicContact CG-CB 4.31Å; L289-V377 HydrophobicContact CG-CG2 3.82Å; L289-V377 PolarHBondContact O-N 3.14Å; L289-A445 HydrophobicContact CB-CB 4.45Å; L289-A445 WeakPolarHBondContact CD2-O 3.42Å; L289-D449 HydrophobicContact CD2-CB 4.02Å
290	L	88.4	Confident	76.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-93.9	148.1	180	-57.4	-174.2	0	0	0	111.7	C283 L285 I312 Y316 L337 R375 E376 S454	C283-L290 PolarHBondContact O-N 2.91Å; L285-L290 HydrophobicContact CB-CD1 4.29Å; L285-L290 HydrophobicContact CB-CD2 4.12Å; L285-L290 HydrophobicContact CB-CG 4.35Å; L290-I312 HydrophobicContact CD1-CD1 3.75Å; L290-I312 HydrophobicContact CD1-CG1 4.35Å; L290-I312 HydrophobicContact CD1-CG2 4.24Å; L290-Y316 HydrophobicContact CD2-CE2 4.16Å; L290-Y316 WeakPolarHBondContact CD2-OH 2.92Å; L290-L337 HydrophobicContact CD1-CD1 3.9Å; L290-R375 WeakPolarHBondContact CA-O 3.48Å; L290-E376 HydrophobicContact CD2-CG 4.01Å; L290-S454 WeakPolarHBondContact O-CB 3.29Å
291	K	84.5	Confident	75.8	Confident	30 Å²	30	54.6 Å²	54.6	13%	0.13	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.2	167	-58.1	-166.5	-177.7	-162.2	0	109.7	N373 R375 E376 V377 E453	K291-N373 WeakPolarHBondContact CE-O 3.23Å; K291-N373 PolarHBondContact NZ-O 3.08Å; K291-R375 PolarHBondContact N-O 2.88Å; K291-E376 WeakPolarHBondContact CE-O 3.35Å; K291-V377 HydrophobicContact CG-CG2 4Å; K291-E453 HydrophobicContact CD-CB 4.33Å; K291-E453 VanDerWaalsContact CE-CD 3.49Å; K291-E453 WeakPolarHBondContact CE-OE2 3.49Å; K291-E453 HydrophobicContact CG-CB 4.22Å; K291-E453 IonicContact NZ-OE1 3.66Å; K291-E453 PolarHBondContact NZ-OE1 3.1Å; K291-E453 IonicContact NZ-OE2 2.74Å; K291-E453 PolarHBondContact NZ-OE2 3.21Å
292	Q	76.5	Confident	75.2	Confident	42 Å²	42	54 Å²	54	20%	0.196	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-74.4	130.9	174.3	-178.7	164.6	-17.8	0	0	111.1	W303 E453 E456	Q292-W303 HydrophobicContact CB-CH2 4.12Å; Q292-W303 HydrophobicContact CB-CZ2 3.83Å; Q292-W303 HydrophobicContact CG-CH2 4.29Å; Q292-W303 HydrophobicContact CG-CZ2 3.57Å; Q292-E453 PolarHBondContact N-O 2.66Å; Q292-E456 VanDerWaalsContact CD-CG 3.45Å; Q292-E456 PolarHBondContact NE2-OE1 2.91Å
293	F	68.2	Low	74.6	Confident	30 Å²	30	54.1 Å²	54.1	13%	0.132	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-79.9	129.3	-179.2	-70.6	-90.8	0	0	0	110.9	S295 W303 P311 I312 A315 R375	F293-S295 PolarHBondContact O-N 3.32Å; F293-W303 HydrophobicContact CD2-CE3 4.06Å; F293-W303 HydrophobicContact CD2-CZ3 4.18Å; F293-P311 HydrophobicContact CB-CB 3.87Å; F293-P311 HydrophobicContact CD1-CB 4.34Å; F293-P311 HydrophobicContact CD2-CB 4.38Å; F293-P311 HydrophobicContact CG-CB 3.92Å; F293-I312 HydrophobicContact CD2-CG1 4.16Å; F293-I312 HydrophobicContact CE2-CG1 3.83Å; F293-A315 HydrophobicContact CE1-CB 3.62Å; F293-A315 HydrophobicContact CZ-CB 3.65Å; F293-R375 HydrophobicContact CZ-CB 4.03Å
294	P	59.6	Low	74.3	Confident	106 Å²	106	54.7 Å²	54.7	69%	0.688	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	12.4	-166.1	29.5	-36.6	0	0	0	115.9	I216	I216-P294 HydrophobicContact CG2-CG 4.32Å
295	S	55.1	Low	74	Confident	88 Å²	88	56 Å²	56	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-13.1	-168.8	57.6	0	0	0	0	116.3	F293	F293-S295 PolarHBondContact O-N 3.32Å
296	E	52.8	Low	73.7	Confident	79 Å²	79	59.7 Å²	59.7	37%	0.369	33%	0.327	S	S	.	.			trans	-134.5	111.7	-175	-65.2	-170.9	147.7	0	0	112.4	T298	E296-T298 PolarHBondContact O-N 3.47Å; E296-T298 VanDerWaalsContact O-N 3.08Å
297	Q	53.2	Low	73.5	Confident	200 Å²	200	61.4 Å²	61.4	94%	0.935	34%	0.34	S	S	*	.			trans	-81.3	32.6	178.5	-65.5	-175.1	-35.6	0	0	113.4
298	T	54.5	Low	73.2	Confident	75 Å²	75	60.9 Å²	60.9	46%	0.46	34%	0.341	S	S	.	.	S	Bend	trans	-142	119.7	-173.4	57.6	0	0	0	0	110.8	E296 N302	E296-T298 PolarHBondContact O-N 3.47Å; E296-T298 VanDerWaalsContact O-N 3.08Å; T298-N302 PolarHBondContact O-ND2 3.48Å; T298-N302 PolarHBondContact OG1-ND2 3.43Å; T298-N302 VanDerWaalsContact OG1-ND2 3.16Å
299	N	65.8	Low	72.6	Confident	120 Å²	120	62.5 Å²	62.5	64%	0.642	37%	0.367	S	S	*	.			trans	30.1	128	170.4	-61.7	6.4	0	0	0	118.2	S301 N302	N299-S301 VanDerWaalsContact CB-OG 3.31Å; N299-S301 WeakPolarHBondContact CB-OG 3.2Å; N299-S301 PolarHBondContact O-N 3.02Å; N299-N302 WeakPolarHBondContact O-CB 3.44Å; N299-N302 PolarHBondContact O-N 2.64Å
300	V	69.9	Low	72.1	Confident	27 Å²	27	62.7 Å²	62.7	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-51.8	-33.6	177.5	-170	0	0	0	0	112.4	E281 C283 N302 W303 C304 L339	E281-V300 HydrophobicContact CB-CB 4.36Å; E281-V300 HydrophobicContact CB-CG2 4.4Å; C283-V300 HydrophobicContact CB-CG1 4.32Å; V300-N302 PolarHBondContact O-N 2.71Å; V300-N302 VanDerWaalsContact O-N 3.07Å; V300-W303 HydrophobicContact CG1-CH2 4.38Å; V300-W303 HydrophobicContact CG1-CZ2 3.78Å; V300-C304 HydrophobicContact CG1-CB 4.13Å; V300-C304 WeakPolarHBondContact O-CB 3.45Å; V300-C304 PolarHBondContact O-N 2.86Å; V300-L339 HydrophobicContact CB-CD1 3.9Å; V300-L339 HydrophobicContact CG1-CD1 3.4Å
301	S	71.2	Confident	71.6	Confident	53 Å²	53	63.4 Å²	63.4	37%	0.371	37%	0.374	S	S	.	.	H	α-helix	trans	-50	-26.9	171.7	60.7	0	0	0	0	116.4	N299 T305	N299-S301 VanDerWaalsContact CB-OG 3.31Å; N299-S301 WeakPolarHBondContact CB-OG 3.2Å; N299-S301 PolarHBondContact O-N 3.02Å; S301-T305 WeakPolarHBondContact O-CG2 3.46Å
302	N	71.8	Confident	71.5	Confident	76 Å²	76	62 Å²	62	41%	0.406	37%	0.367	S	S	.	.	H	α-helix	trans	-83.7	-54.2	-172.6	-63.2	2	0	0	0	110.7	T298 N299 V300 T305	T298-N302 PolarHBondContact O-ND2 3.48Å; T298-N302 PolarHBondContact OG1-ND2 3.43Å; T298-N302 VanDerWaalsContact OG1-ND2 3.16Å; N299-N302 WeakPolarHBondContact O-CB 3.44Å; N299-N302 PolarHBondContact O-N 2.64Å; V300-N302 PolarHBondContact O-N 2.71Å; V300-N302 VanDerWaalsContact O-N 3.07Å; N302-T305 PolarHBondContact O-OG1 3.29Å
303	W	77.4	Confident	71.9	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.015	37%	0.366	C	S	.	.	H	α-helix	trans	-80.9	-26.1	-179.8	65	-98.1	0	0	0	112.9	C283 Q292 F293 V300 T305 P311 I312	C283-W303 HydrophobicContact CB-CH2 3.75Å; C283-W303 HydrophobicContact CB-CZ3 3.82Å; Q292-W303 HydrophobicContact CB-CH2 4.12Å; Q292-W303 HydrophobicContact CB-CZ2 3.83Å; Q292-W303 HydrophobicContact CG-CH2 4.29Å; Q292-W303 HydrophobicContact CG-CZ2 3.57Å; F293-W303 HydrophobicContact CD2-CE3 4.06Å; F293-W303 HydrophobicContact CD2-CZ3 4.18Å; V300-W303 HydrophobicContact CG1-CH2 4.38Å; V300-W303 HydrophobicContact CG1-CZ2 3.78Å; W303-T305 PolarHBondContact O-N 3.06Å; W303-P311 HydrophobicContact CB-CG 4.11Å; W303-I312 HydrophobicContact CE3-CD1 3.85Å; W303-I312 HydrophobicContact CE3-CG1 4.06Å; W303-I312 HydrophobicContact CZ3-CD1 4.08Å; W303-I312 HydrophobicContact CZ3-CG1 4.46Å; W303-I312 WeakPolarHBondContact O-CD1 3.48Å; W303-I312 WeakPolarHBondContact O-CG1 3.39Å
304	C	81.5	Confident	72.5	Confident	14 Å²	14	64.4 Å²	64.4	10%	0.095	39%	0.386	C	S	.	.	S	Bend	trans	-75.7	57.6	173.8	-164.8	0	0	0	0	112.2	C283 V300 L337 L339	C283-C304 HydrophobicContact CB-CB 3.81Å; C283-C304 WeakPolarHBondContact CB-SG 3.41Å; C283-C304 VanDerWaalsContact SG-CA 3.59Å; C283-C304 WeakPolarHBondContact SG-CB 3.48Å; C283-C304 CovalentContact SG-SG 2.04Å; C283-C304 PolarHBondContact SG-SG 2.85Å; V300-C304 HydrophobicContact CG1-CB 4.13Å; V300-C304 WeakPolarHBondContact O-CB 3.45Å; V300-C304 PolarHBondContact O-N 2.86Å; C304-L337 WeakPolarHBondContact O-CD2 3.41Å; C304-L339 HydrophobicContact CB-CD1 4.32Å
305	T	83.1	Confident	73.5	Confident	47 Å²	47	61.1 Å²	61.1	29%	0.288	37%	0.368	S	S	.	.	S	Bend	trans	-137.2	148.6	177.6	65.1	0	0	0	0	112.4	S301 N302 W303 A307 S310	S301-T305 WeakPolarHBondContact O-CG2 3.46Å; N302-T305 PolarHBondContact O-OG1 3.29Å; W303-T305 PolarHBondContact O-N 3.06Å; T305-A307 PolarHBondContact O-N 2.52Å; T305-S310 WeakPolarHBondContact O-CB 3.39Å; T305-S310 PolarHBondContact O-OG 2.89Å
306	K	82.9	Confident	75	Confident	76 Å²	76	57.3 Å²	57.3	33%	0.33	34%	0.34	S	S	.	.			trans	-80.9	15.8	169	-65.3	-158.8	-178.4	-172.5	0	113.7	F332 N335 L337	K306-F332 HydrophobicContact CB-CZ 4.11Å; K306-F332 HydrophobicContact CD-CE1 4.44Å; K306-F332 HydrophobicContact CD-CE2 4.34Å; K306-F332 HydrophobicContact CD-CZ 4.07Å; K306-F332 WeakPolarHBondContact CE-O 3.43Å; K306-F332 HydrophobicContact CG-CE2 4.01Å; K306-F332 HydrophobicContact CG-CZ 3.77Å; K306-F332 PolarHBondContact NZ-O 2.83Å; K306-N335 VanDerWaalsContact CE-O 3.27Å; K306-N335 WeakPolarHBondContact CE-O 3.33Å; K306-N335 PolarHBondContact NZ-O 3.17Å; K306-L337 HydrophobicContact CG-CB 4.11Å
307	A	82.5	Confident	76.6	Confident	55 Å²	55	53.9 Å²	53.9	46%	0.455	32%	0.324	S	S	.	.			trans	-63.4	138.7	-178.2	0	0	0	0	0	110.9	T305 G309 S310 W313	T305-A307 PolarHBondContact O-N 2.52Å; A307-G309 PolarHBondContact O-N 3.08Å; A307-G309 VanDerWaalsContact O-N 3.08Å; A307-S310 WeakPolarHBondContact O-CB 3.24Å; A307-S310 PolarHBondContact O-N 2.71Å; A307-S310 PolarHBondContact O-OG 2.89Å; A307-W313 VanDerWaalsContact O-CB 3.27Å; A307-W313 WeakPolarHBondContact O-CB 3.41Å
308	V	79.2	Confident	78.1	Confident	121 Å²	121	52.3 Å²	52.3	73%	0.733	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	114.3	176.8	173.8	0	0	0	0	108.8	W313	V308-W313 HydrophobicContact CB-CZ2 4.42Å; V308-W313 HydrophobicContact CG1-CD2 4.49Å; V308-W313 HydrophobicContact CG1-CH2 3.96Å; V308-W313 HydrophobicContact CG1-CZ2 3.76Å; V308-W313 HydrophobicContact CG1-CZ3 4.4Å; V308-W313 HydrophobicContact CG2-CZ2 4.27Å
309	G	77.2	Confident	79.3	Confident	62 Å²	62	56.6 Å²	56.6	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-1	-174.3	0	0	0	0	0	115.6	A307	A307-G309 PolarHBondContact O-N 3.08Å; A307-G309 VanDerWaalsContact O-N 3.08Å
310	S	78.6	Confident	79.7	Confident	10 Å²	10	52.8 Å²	52.8	7%	0.07	31%	0.305	C	S	.	.	S	Bend	trans	-66.2	157.4	169.6	80.6	0	0	0	0	111.5	T305 A307 I312 W313 S314	T305-S310 WeakPolarHBondContact O-CB 3.39Å; T305-S310 PolarHBondContact O-OG 2.89Å; A307-S310 WeakPolarHBondContact O-CB 3.24Å; A307-S310 PolarHBondContact O-N 2.71Å; A307-S310 PolarHBondContact O-OG 2.89Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.24Å; S310-W313 WeakPolarHBondContact O-CB 3.24Å; S310-W313 PolarHBondContact O-N 2.78Å; S310-W313 VanDerWaalsContact O-N 3.1Å; S310-W313 WeakPolarHBondContact OG-CB 3.48Å; S310-W313 PolarHBondContact OG-N 2.79Å; S310-S314 PolarHBondContact O-N 2.79Å
311	P	78.4	Confident	79.8	Confident	17 Å²	17	59.4 Å²	59.4	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-44.9	175.7	-27.4	36	0	0	0	112.5	F293 W303 W313 S314 A315	F293-P311 HydrophobicContact CB-CB 3.87Å; F293-P311 HydrophobicContact CD1-CB 4.34Å; F293-P311 HydrophobicContact CD2-CB 4.38Å; F293-P311 HydrophobicContact CG-CB 3.92Å; W303-P311 HydrophobicContact CB-CG 4.11Å; P311-W313 PolarHBondContact O-N 3.42Å; P311-S314 PolarHBondContact O-N 2.96Å; P311-S314 PolarHBondContact O-OG 3.39Å; P311-A315 PolarHBondContact O-N 3.36Å; P311-A315 VanDerWaalsContact O-N 3.07Å
312	I	82.5	Confident	79.7	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-45	176.2	-57.8	178.5	0	0	0	110.9	L290 F293 W303 S310 S314 A315 Y316 F332 L337	L290-I312 HydrophobicContact CD1-CD1 3.75Å; L290-I312 HydrophobicContact CD1-CG1 4.35Å; L290-I312 HydrophobicContact CD1-CG2 4.24Å; F293-I312 HydrophobicContact CD2-CG1 4.16Å; F293-I312 HydrophobicContact CE2-CG1 3.83Å; W303-I312 HydrophobicContact CE3-CD1 3.85Å; W303-I312 HydrophobicContact CE3-CG1 4.06Å; W303-I312 HydrophobicContact CZ3-CD1 4.08Å; W303-I312 HydrophobicContact CZ3-CG1 4.46Å; W303-I312 WeakPolarHBondContact O-CD1 3.48Å; W303-I312 WeakPolarHBondContact O-CG1 3.39Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.24Å; I312-S314 VanDerWaalsContact C-N 3.28Å; I312-S314 PolarHBondContact O-N 2.84Å; I312-A315 PolarHBondContact O-N 3.02Å; I312-Y316 HydrophobicContact CG2-CD2 3.69Å; I312-Y316 HydrophobicContact CG2-CE2 4.02Å; I312-Y316 WeakPolarHBondContact O-CD2 3.46Å; I312-Y316 PolarHBondContact O-N 2.98Å; I312-F332 HydrophobicContact CG2-CD2 4.34Å; I312-F332 HydrophobicContact CG2-CE2 3.67Å; I312-F332 HydrophobicContact CG2-CZ 4.47Å; I312-L337 HydrophobicContact CD1-CD1 4.19Å; I312-L337 HydrophobicContact CD1-CD2 3.99Å
313	W	83.6	Confident	79.4	Confident	44 Å²	44	65.8 Å²	65.8	17%	0.167	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-40.7	177.8	-173.9	92.5	0	0	0	111.3	A307 V308 S310 P311 A315 Y316 C317 V326	A307-W313 VanDerWaalsContact O-CB 3.27Å; A307-W313 WeakPolarHBondContact O-CB 3.41Å; V308-W313 HydrophobicContact CB-CZ2 4.42Å; V308-W313 HydrophobicContact CG1-CD2 4.49Å; V308-W313 HydrophobicContact CG1-CH2 3.96Å; V308-W313 HydrophobicContact CG1-CZ2 3.76Å; V308-W313 HydrophobicContact CG1-CZ3 4.4Å; V308-W313 HydrophobicContact CG2-CZ2 4.27Å; S310-W313 WeakPolarHBondContact O-CB 3.24Å; S310-W313 PolarHBondContact O-N 2.78Å; S310-W313 VanDerWaalsContact O-N 3.1Å; S310-W313 WeakPolarHBondContact OG-CB 3.48Å; S310-W313 PolarHBondContact OG-N 2.79Å; P311-W313 PolarHBondContact O-N 3.42Å; W313-A315 VanDerWaalsContact C-N 3.3Å; W313-A315 PolarHBondContact O-N 3.39Å; W313-Y316 PolarHBondContact O-N 2.89Å; W313-C317 HydrophobicContact CD2-CB 4.17Å; W313-C317 HydrophobicContact CZ2-CB 4.28Å; W313-C317 WeakPolarHBondContact O-CA 2.89Å; W313-C317 VanDerWaalsContact O-CB 3.24Å; W313-C317 WeakPolarHBondContact O-CB 3.43Å; W313-C317 PolarHBondContact O-N 2.96Å; W313-V326 HydrophobicContact CH2-CG1 4.25Å; W313-V326 HydrophobicContact CH2-CG2 4.31Å; W313-V326 HydrophobicContact CZ2-CG1 3.74Å; W313-V326 HydrophobicContact CZ2-CG2 4.19Å
314	S	81.2	Confident	79.1	Confident	79 Å²	79	67.8 Å²	67.8	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-68.2	-24.5	175.4	78.3	0	0	0	0	114.4	S310 P311 I312	S310-S314 PolarHBondContact O-N 2.79Å; P311-S314 PolarHBondContact O-N 2.96Å; P311-S314 PolarHBondContact O-OG 3.39Å; I312-S314 VanDerWaalsContact C-N 3.28Å; I312-S314 PolarHBondContact O-N 2.84Å
315	A	81.7	Confident	78.8	Confident	37 Å²	37	73.7 Å²	73.7	31%	0.306	42%	0.418	S	S	.	.	H	α-helix	trans	-86.6	-22.2	178.8	0	0	0	0	0	113.9	F293 P311 I312 W313	F293-A315 HydrophobicContact CE1-CB 3.62Å; F293-A315 HydrophobicContact CZ-CB 3.65Å; P311-A315 PolarHBondContact O-N 3.36Å; P311-A315 VanDerWaalsContact O-N 3.07Å; I312-A315 PolarHBondContact O-N 3.02Å; W313-A315 VanDerWaalsContact C-N 3.3Å; W313-A315 PolarHBondContact O-N 3.39Å
316	Y	86.3	Confident	78.6	Confident	8 Å²	8	74.3 Å²	74.3	3%	0.031	42%	0.422	C	S	.	.	H	α-helix	trans	-110	-16.6	179.4	-78.6	-89	0	0	0	114.4	L285 L290 I312 W313 C328 D329 F332 R375 E376	L285-Y316 HydrophobicContact CD2-CD1 4.26Å; L285-Y316 HydrophobicContact CD2-CE1 3.63Å; L285-Y316 HydrophobicContact CD2-CE2 4.08Å; L290-Y316 HydrophobicContact CD2-CE2 4.16Å; L290-Y316 WeakPolarHBondContact CD2-OH 2.92Å; I312-Y316 HydrophobicContact CG2-CD2 3.69Å; I312-Y316 HydrophobicContact CG2-CE2 4.02Å; I312-Y316 WeakPolarHBondContact O-CD2 3.46Å; I312-Y316 PolarHBondContact O-N 2.98Å; W313-Y316 PolarHBondContact O-N 2.89Å; Y316-C328 WeakPolarHBondContact O-CA 3.32Å; Y316-D329 HydrophobicContact CD1-CB 3.83Å; Y316-D329 PolarHBondContact O-N 3.02Å; Y316-F332 HydrophobicContact CD1-CB 3.65Å; Y316-F332 HydrophobicContact CD1-CD2 4.24Å; Y316-F332 HydrophobicContact CD1-CG 4.2Å; Y316-F332 HydrophobicContact CD2-CD2 4.04Å; Y316-F332 HydrophobicContact CD2-CE2 4.5Å; Y316-F332 HydrophobicContact CE1-CB 4.45Å; Y316-F332 HydrophobicContact CG-CB 3.89Å; Y316-F332 AromaticContact CG-CD2 3.76Å; Y316-F332 HydrophobicContact CG-CD2 3.76Å; Y316-F332 AromaticContact CG-CG 3.91Å; Y316-F332 HydrophobicContact CG-CG 3.91Å; Y316-R375 VanDerWaalsContact CE1-NH1 3.34Å; Y316-E376 WeakPolarHBondContact OH-CG 3.39Å; Y316-E376 PolarHBondContact OH-OE1 3.1Å
317	C	87	Confident	78.6	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.041	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.1	179.5	-56.8	0	0	0	0	111.9	W313 V326 E327 C328	W313-C317 HydrophobicContact CD2-CB 4.17Å; W313-C317 HydrophobicContact CZ2-CB 4.28Å; W313-C317 WeakPolarHBondContact O-CA 2.89Å; W313-C317 VanDerWaalsContact O-CB 3.24Å; W313-C317 WeakPolarHBondContact O-CB 3.43Å; W313-C317 PolarHBondContact O-N 2.96Å; C317-V326 HydrophobicContact CB-CG1 3.77Å; C317-E327 WeakPolarHBondContact CA-O 3.25Å; C317-C328 HydrophobicContact CB-CB 4.05Å; C317-C328 WeakPolarHBondContact CB-SG 3.49Å; C317-C328 WeakPolarHBondContact SG-CB 3.47Å; C317-C328 CovalentContact SG-SG 2.04Å; C317-C328 PolarHBondContact SG-SG 2.8Å
318	K	83	Confident	78.7	Confident	167 Å²	167	76.5 Å²	76.5	73%	0.726	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.5	172.1	-65.9	178.9	-177.5	174.7	0	109.4	E327	K318-E327 PolarHBondContact N-O 3.28Å; K318-E327 PolarHBondContact O-N 2.83Å
319	R	80.9	Confident	78.9	Confident	166 Å²	166	72.7 Å²	72.7	63%	0.626	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.7	166.6	175.3	171.5	-81.6	147.4	-3.7	108.1
320	S	74.5	Confident	79.3	Confident	40 Å²	40	73.9 Å²	73.9	28%	0.28	40%	0.399	S	S	.	.			trans	-70.4	130.2	172.8	176.5	0	0	0	0	110	E322 G324 M325	S320-E322 PolarHBondContact O-N 3.03Å; S320-E322 PolarHBondContact OG-N 3.19Å; S320-G324 WeakPolarHBondContact O-CA 3.34Å; S320-G324 PolarHBondContact O-N 3.14Å; S320-G324 VanDerWaalsContact O-N 3.08Å; S320-M325 PolarHBondContact N-O 3.45Å
321	N	70.9	Confident	79.6	Confident	166 Å²	166	75.3 Å²	75.3	89%	0.888	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.4	178.8	-72	-15.4	0	0	0	112.9
322	E	68.5	Low	80.1	Confident	190 Å²	190	74.7 Å²	74.7	89%	0.888	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-34.9	-171.9	-61.6	-177.1	162.6	0	0	113	S320	S320-E322 PolarHBondContact O-N 3.03Å; S320-E322 PolarHBondContact OG-N 3.19Å
323	S	65.6	Low	80.3	Confident	72 Å²	72	79.7 Å²	79.7	50%	0.503	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-11.5	-177.5	65.7	0	0	0	0	114.2	M325	S323-M325 PolarHBondContact O-N 2.97Å; S323-M325 WeakPolarHBondContact OG-CB 3.49Å; S323-M325 PolarHBondContact OG-N 3.02Å
324	G	72	Confident	80.6	Confident	46 Å²	46	84.9 Å²	84.9	47%	0.474	45%	0.452	S	S	.	.			trans	67.4	-7.5	-171.4	0	0	0	0	0	114.7	S320	S320-G324 WeakPolarHBondContact O-CA 3.34Å; S320-G324 PolarHBondContact O-N 3.14Å; S320-G324 VanDerWaalsContact O-N 3.08Å
325	M	74.6	Confident	81	Confident	138 Å²	138	83.4 Å²	83.4	68%	0.68	44%	0.438	S	S	*	.			trans	-65.6	147.6	177.8	-64.1	-173.5	175.6	0	0	110.6	S320 S323	S320-M325 PolarHBondContact N-O 3.45Å; S323-M325 PolarHBondContact O-N 2.97Å; S323-M325 WeakPolarHBondContact OG-CB 3.49Å; S323-M325 PolarHBondContact OG-N 3.02Å
326	V	79	Confident	81.3	Confident	60 Å²	60	87 Å²	87	36%	0.364	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.9	173	179.1	0	0	0	0	108.3	W313 C317	W313-V326 HydrophobicContact CH2-CG1 4.25Å; W313-V326 HydrophobicContact CH2-CG2 4.31Å; W313-V326 HydrophobicContact CZ2-CG1 3.74Å; W313-V326 HydrophobicContact CZ2-CG2 4.19Å; C317-V326 HydrophobicContact CB-CG1 3.77Å
327	E	82.5	Confident	81.4	Confident	152 Å²	152	88.2 Å²	88.2	71%	0.71	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	106.5	173.7	-170.8	171.1	-162.5	0	0	108.3	C317 K318	C317-E327 WeakPolarHBondContact CA-O 3.25Å; K318-E327 PolarHBondContact N-O 3.28Å; K318-E327 PolarHBondContact O-N 2.83Å
328	C	84.4	Confident	81.4	Confident	26 Å²	26	90 Å²	90	18%	0.176	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.1	175.2	-64.7	0	0	0	0	110.7	Y316 C317 F332	Y316-C328 WeakPolarHBondContact O-CA 3.32Å; C317-C328 HydrophobicContact CB-CB 4.05Å; C317-C328 WeakPolarHBondContact CB-SG 3.49Å; C317-C328 WeakPolarHBondContact SG-CB 3.47Å; C317-C328 CovalentContact SG-SG 2.04Å; C317-C328 PolarHBondContact SG-SG 2.8Å; C328-F332 HydrophobicContact CB-CD1 4.47Å
329	D	84.5	Confident	81.6	Confident	40 Å²	40	85.3 Å²	85.3	21%	0.214	46%	0.458	C	S	.	.			trans	-48.9	125.8	169.1	-169.8	-42.2	0	0	0	110.8	Y316 F331 F332 N333 R375	Y316-D329 HydrophobicContact CD1-CB 3.83Å; Y316-D329 PolarHBondContact O-N 3.02Å; D329-F331 PolarHBondContact O-N 3.21Å; D329-F331 VanDerWaalsContact O-N 3.14Å; D329-F331 VanDerWaalsContact OD1-CB 3.31Å; D329-F331 WeakPolarHBondContact OD1-CB 3.36Å; D329-F331 PolarHBondContact OD1-N 2.7Å; D329-F332 HydrophobicContact CB-CB 4.12Å; D329-F332 WeakPolarHBondContact O-CB 3.46Å; D329-F332 PolarHBondContact O-N 2.78Å; D329-N333 PolarHBondContact O-N 3Å; D329-N333 VanDerWaalsContact O-N 3.17Å; D329-R375 IonicContact OD2-CZ 3.02Å; D329-R375 VanDerWaalsContact OD2-CZ 3.3Å; D329-R375 IonicContact OD2-NH1 3.52Å; D329-R375 PolarHBondContact OD2-NH1 2.91Å; D329-R375 IonicContact OD2-NH2 3.75Å; D329-R375 PolarHBondContact OD2-NH2 3.25Å
330	P	85.6	Confident	81.9	Confident	87 Å²	87	79 Å²	79	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-53.8	-34.8	179.7	-28.5	35.8	0	0	0	113.4	F332 N333 Q334	P330-F332 VanDerWaalsContact C-N 3.35Å; P330-F332 PolarHBondContact O-N 3.44Å; P330-N333 PolarHBondContact O-N 2.94Å; P330-Q334 WeakPolarHBondContact O-CB 3.34Å; P330-Q334 VanDerWaalsContact O-CG 3.27Å; P330-Q334 WeakPolarHBondContact O-CG 3.06Å; P330-Q334 PolarHBondContact O-N 3.2Å
331	F	85.7	Confident	82.6	Confident	40 Å²	40	77.7 Å²	77.7	18%	0.175	43%	0.43	C	S	.	.	H	α-helix	trans	-66.9	-36.7	178.9	-173.5	-91.8	0	0	0	112	L285 R288 D329 N335	L285-F331 HydrophobicContact CB-CE1 4.41Å; L285-F331 HydrophobicContact CD2-CD1 3.77Å; L285-F331 HydrophobicContact CD2-CE1 3.91Å; L285-F331 HydrophobicContact CG-CD1 4.09Å; L285-F331 HydrophobicContact CG-CE1 3.82Å; L285-F331 WeakPolarHBondContact O-CE1 3.43Å; R288-F331 HydrophobicContact CB-CE1 4.26Å; R288-F331 HydrophobicContact CB-CZ 4.47Å; R288-F331 VanDerWaalsContact CD-CE1 3.5Å; R288-F331 HydrophobicContact CG-CE1 3.82Å; R288-F331 HydrophobicContact CG-CZ 3.71Å; D329-F331 PolarHBondContact O-N 3.21Å; D329-F331 VanDerWaalsContact O-N 3.14Å; D329-F331 VanDerWaalsContact OD1-CB 3.31Å; D329-F331 WeakPolarHBondContact OD1-CB 3.36Å; D329-F331 PolarHBondContact OD1-N 2.7Å; F331-N335 VanDerWaalsContact CD2-ND2 3.26Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.44Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.4Å; F331-N335 PolarHBondContact O-N 3.1Å; F331-N335 VanDerWaalsContact O-N 3.13Å; F331-N335 PolarHBondContact O-ND2 2.83Å
332	F	87.6	Confident	83.3	Confident	5 Å²	5	69.8 Å²	69.8	2%	0.022	39%	0.388	C	S	.	.	H	α-helix	trans	-71.5	-32.3	176.7	179.3	-101.6	0	0	0	112.5	L285 K306 I312 Y316 C328 D329 P330	L285-F332 HydrophobicContact CD1-CD2 3.89Å; L285-F332 HydrophobicContact CD1-CE2 4.47Å; L285-F332 HydrophobicContact CD2-CB 4.33Å; L285-F332 HydrophobicContact CD2-CD2 3.94Å; K306-F332 HydrophobicContact CB-CZ 4.11Å; K306-F332 HydrophobicContact CD-CE1 4.44Å; K306-F332 HydrophobicContact CD-CE2 4.34Å; K306-F332 HydrophobicContact CD-CZ 4.07Å; K306-F332 WeakPolarHBondContact CE-O 3.43Å; K306-F332 HydrophobicContact CG-CE2 4.01Å; K306-F332 HydrophobicContact CG-CZ 3.77Å; K306-F332 PolarHBondContact NZ-O 2.83Å; I312-F332 HydrophobicContact CG2-CD2 4.34Å; I312-F332 HydrophobicContact CG2-CE2 3.67Å; I312-F332 HydrophobicContact CG2-CZ 4.47Å; Y316-F332 HydrophobicContact CD1-CB 3.65Å; Y316-F332 HydrophobicContact CD1-CD2 4.24Å; Y316-F332 HydrophobicContact CD1-CG 4.2Å; Y316-F332 HydrophobicContact CD2-CD2 4.04Å; Y316-F332 HydrophobicContact CD2-CE2 4.5Å; Y316-F332 HydrophobicContact CE1-CB 4.45Å; Y316-F332 HydrophobicContact CG-CB 3.89Å; Y316-F332 AromaticContact CG-CD2 3.76Å; Y316-F332 HydrophobicContact CG-CD2 3.76Å; Y316-F332 AromaticContact CG-CG 3.91Å; Y316-F332 HydrophobicContact CG-CG 3.91Å; C328-F332 HydrophobicContact CB-CD1 4.47Å; D329-F332 HydrophobicContact CB-CB 4.12Å; D329-F332 WeakPolarHBondContact O-CB 3.46Å; D329-F332 PolarHBondContact O-N 2.78Å; P330-F332 VanDerWaalsContact C-N 3.35Å; P330-F332 PolarHBondContact O-N 3.44Å
333	N	87	Confident	84.4	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-72.2	-43.6	173.7	-79.2	-17	0	0	0	111.9	D329 P330	D329-N333 PolarHBondContact O-N 3Å; D329-N333 VanDerWaalsContact O-N 3.17Å; P330-N333 PolarHBondContact O-N 2.94Å
334	Q	89.3	Confident	85.5	Confident	153 Å²	153	58.2 Å²	58.2	72%	0.715	33%	0.327	S	S	*	.	H	α-helix	trans	-71.8	-44.8	-174.5	-71.5	170.8	4.7	0	0	114.1	P330	P330-Q334 WeakPolarHBondContact O-CB 3.34Å; P330-Q334 VanDerWaalsContact O-CG 3.27Å; P330-Q334 WeakPolarHBondContact O-CG 3.06Å; P330-Q334 PolarHBondContact O-N 3.2Å
335	N	89.3	Confident	86.2	Confident	48 Å²	48	56.2 Å²	56.2	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	-92.3	142	-171	-63.8	-76.2	0	0	0	112.2	K306 F331	K306-N335 VanDerWaalsContact CE-O 3.27Å; K306-N335 WeakPolarHBondContact CE-O 3.33Å; K306-N335 PolarHBondContact NZ-O 3.17Å; F331-N335 VanDerWaalsContact CD2-ND2 3.26Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.44Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.4Å; F331-N335 PolarHBondContact O-N 3.1Å; F331-N335 VanDerWaalsContact O-N 3.13Å; F331-N335 PolarHBondContact O-ND2 2.83Å
336	T	88.8	Confident	86.9	Confident	111 Å²	111	53.6 Å²	53.6	68%	0.681	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-67.5	150.5	170.5	42.4	0	0	0	0	111.1	G286	G286-T336 PolarHBondContact N-O 2.9Å
337	L	87.6	Confident	87.2	Confident	35 Å²	35	53 Å²	53	18%	0.183	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.2	169	-166.2	83.3	0	0	0	107.3	M284 L285 L290 C304 K306 I312	M284-L337 CarbonylContact O-C 3.59Å; M284-L337 WeakPolarHBondContact O-CA 3.46Å; M284-L337 WeakPolarHBondContact O-CD1 3.5Å; L285-L337 HydrophobicContact CB-CD1 4.02Å; L285-L337 HydrophobicContact CD1-CB 4.45Å; L285-L337 HydrophobicContact CD1-CD1 3.83Å; L290-L337 HydrophobicContact CD1-CD1 3.9Å; C304-L337 WeakPolarHBondContact O-CD2 3.41Å; K306-L337 HydrophobicContact CG-CB 4.11Å; I312-L337 HydrophobicContact CD1-CD1 4.19Å; I312-L337 HydrophobicContact CD1-CD2 3.99Å
338	S	87.9	Confident	87.5	Confident	44 Å²	44	50.7 Å²	50.7	31%	0.308	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	-178.7	51.1	0	0	0	0	111.9	M284	M284-S338 PolarHBondContact N-O 3.31Å; M284-S338 PolarHBondContact O-N 2.93Å
339	L	86.5	Confident	87.8	Confident	67 Å²	67	52 Å²	52	35%	0.351	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124	169.6	-170.6	65.5	0	0	0	107.6	E281 V300 C304	E281-L339 HydrophobicContact CB-CD1 3.78Å; E281-L339 HydrophobicContact CB-CG 4.18Å; E281-L339 HydrophobicContact CG-CG 4.49Å; E281-L339 WeakPolarHBondContact OE1-CD2 3.44Å; V300-L339 HydrophobicContact CB-CD1 3.9Å; V300-L339 HydrophobicContact CG1-CD1 3.4Å; C304-L339 HydrophobicContact CB-CD1 4.32Å
340	T	88	Confident	88.1	Confident	33 Å²	33	50.3 Å²	50.3	20%	0.202	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.7	-172.5	81	0	0	0	0	112.4	I282 G342	I282-T340 VanDerWaalsContact CG1-O 3.25Å; I282-T340 WeakPolarHBondContact CG1-O 3.47Å; I282-T340 WeakPolarHBondContact CG1-OG1 3.41Å; I282-T340 PolarHBondContact N-O 3.03Å; I282-T340 PolarHBondContact O-N 2.85Å; T340-G342 PolarHBondContact O-N 3.12Å
341	A	88.8	Confident	88.3	Confident	14 Å²	14	49.5 Å²	49.5	12%	0.116	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	117.1	174.2	0	0	0	0	0	112.4	D276 S279 P344 R443	D276-A341 VanDerWaalsContact OD1-CB 3.3Å; D276-A341 WeakPolarHBondContact OD1-CB 3.25Å; S279-A341 VanDerWaalsContact OG-CA 3.32Å; S279-A341 WeakPolarHBondContact OG-CA 3.49Å; S279-A341 WeakPolarHBondContact OG-CB 3.48Å; A341-P344 HydrophobicContact CB-CB 4.09Å; A341-R443 PolarHBondContact O-NH1 3.48Å
342	G	86.9	Confident	88.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-70.5	-37.5	179.3	0	0	0	0	0	113.1	P280 T340 R443	P280-G342 WeakPolarHBondContact O-CA 3.32Å; P280-G342 PolarHBondContact O-N 3.49Å; T340-G342 PolarHBondContact O-N 3.12Å; G342-R443 PolarHBondContact O-N 2.99Å; G342-R443 VanDerWaalsContact O-N 3.09Å
343	I	90.6	Very high	88.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	32%	0.322	C	S	.	.	S	Bend	trans	-126.6	77.3	178.8	-47.9	179.9	0	0	0	108.3	T274 S279 P280 G345 T441 I442 L446 L463 L464	T274-I343 HydrophobicContact CG2-CB 4.24Å; T274-I343 HydrophobicContact CG2-CG2 3.79Å; T274-I343 WeakPolarHBondContact CG2-O 3.17Å; S279-I343 WeakPolarHBondContact CB-O 3.37Å; P280-I343 HydrophobicContact CG-CD1 4.22Å; P280-I343 HydrophobicContact CG-CG1 4.13Å; I343-G345 PolarHBondContact O-N 3.45Å; I343-T441 WeakPolarHBondContact CG2-O 3.47Å; I343-I442 HydrophobicContact CG1-CG1 4.28Å; I343-I442 HydrophobicContact CG1-CG2 4.45Å; I343-I442 HydrophobicContact CG2-CG1 4.18Å; I343-L446 HydrophobicContact CG1-CD2 4.1Å; I343-L463 HydrophobicContact CD1-CB 3.94Å; I343-L464 HydrophobicContact CG2-CD1 3.83Å
344	P	88.2	Confident	89.2	Confident	18 Å²	18	51 Å²	51	12%	0.117	30%	0.296	C	S	.	.			trans	-70.4	-11.4	-176.8	31.9	-41.9	0	0	0	114.7	S275 D276 A341 L350 T441	S275-P344 CarbonylContact C-O 3.51Å; S275-P344 WeakPolarHBondContact CA-O 3.42Å; D276-P344 PolarHBondContact N-O 2.95Å; D276-P344 VanDerWaalsContact N-O 3.16Å; D276-P344 WeakPolarHBondContact OD1-CB 3.46Å; A341-P344 HydrophobicContact CB-CB 4.09Å; P344-L350 HydrophobicContact CG-CD1 3.42Å; P344-L350 VanDerWaalsContact CG-CD1 3.42Å; P344-L350 HydrophobicContact CG-CD2 4.15Å; P344-L350 HydrophobicContact CG-CG 4.33Å; P344-T441 WeakPolarHBondContact CD-O 3.48Å
345	G	87.2	Confident	89.3	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	29%	0.289	C	S	.	.			trans	96.4	-178.5	-172.3	0	0	0	0	0	113	T274 I343 S347 L350	T274-G345 VanDerWaalsContact O-CA 3.3Å; T274-G345 WeakPolarHBondContact O-CA 3.3Å; I343-G345 PolarHBondContact O-N 3.45Å; G345-S347 PolarHBondContact O-N 3.22Å; G345-L350 VanDerWaalsContact O-CD1 3.26Å; G345-L350 WeakPolarHBondContact O-CD1 3.32Å
346	F	88.8	Confident	89.5	Confident	83 Å²	83	50.9 Å²	50.9	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-63	117.2	-174.5	-88.1	-63.5	0	0	0	113	A271 F272 F351 V437 G440 T441	A271-F346 HydrophobicContact CB-CE2 3.82Å; A271-F346 HydrophobicContact CB-CZ 4.26Å; A271-F346 WeakPolarHBondContact O-CD2 3.26Å; A271-F346 WeakPolarHBondContact O-CE2 3.35Å; F272-F346 AromaticContact CD1-CD2 3.96Å; F272-F346 HydrophobicContact CD1-CD2 3.96Å; F272-F346 AromaticContact CD1-CE2 3.93Å; F272-F346 HydrophobicContact CD1-CE2 3.93Å; F272-F346 AromaticContact CE1-CD2 3.99Å; F272-F346 HydrophobicContact CE1-CD2 3.99Å; F272-F346 AromaticContact CE1-CE2 3.72Å; F272-F346 HydrophobicContact CE1-CE2 3.72Å; F272-F346 HydrophobicContact CG-CE2 4.46Å; F272-F346 HydrophobicContact CZ-CE2 4.1Å; F346-F351 AromaticContact CD1-CE2 3.95Å; F346-F351 HydrophobicContact CD1-CE2 3.95Å; F346-F351 HydrophobicContact CD1-CZ 4.36Å; F346-F351 HydrophobicContact CE1-CE2 4.26Å; F346-F351 HydrophobicContact CE1-CZ 4.21Å; F346-V437 HydrophobicContact CZ-CB 4.47Å; F346-V437 HydrophobicContact CZ-CG1 4.5Å; F346-V437 HydrophobicContact CZ-CG2 4.19Å; F346-G440 WeakPolarHBondContact CA-O 3.35Å; F346-T441 HydrophobicContact CB-CG2 4.4Å; F346-T441 HydrophobicContact CD1-CG2 3.57Å; F346-T441 HydrophobicContact CD2-CG2 3.78Å; F346-T441 HydrophobicContact CE1-CG2 3.67Å; F346-T441 HydrophobicContact CE2-CG2 3.88Å; F346-T441 HydrophobicContact CG-CG2 3.63Å; F346-T441 HydrophobicContact CZ-CG2 3.82Å
347	S	86.9	Confident	89.6	Confident	48 Å²	48	47.7 Å²	47.7	34%	0.336	28%	0.28	S	S	.	.			trans	-141.5	138.1	178.4	-179.9	0	0	0	0	112.9	G345 A349 L350 F351 G440	G345-S347 PolarHBondContact O-N 3.22Å; S347-A349 PolarHBondContact O-N 3.37Å; S347-A349 PolarHBondContact OG-N 2.8Å; S347-L350 PolarHBondContact O-N 2.98Å; S347-F351 WeakPolarHBondContact O-CD2 3.44Å; S347-F351 PolarHBondContact O-N 2.82Å; S347-G440 PolarHBondContact N-O 3.46Å; S347-G440 VanDerWaalsContact N-O 3.15Å
348	S	88.4	Confident	89.7	Confident	103 Å²	103	47 Å²	47	72%	0.72	28%	0.279	S	S	*	.	H	α-helix	trans	-62.6	-27.9	174.6	52.8	0	0	0	0	112.9	S352	S348-S352 PolarHBondContact O-N 2.84Å; S348-S352 VanDerWaalsContact O-N 3.17Å
349	A	90.5	Very high	89.9	Confident	53 Å²	53	47.8 Å²	47.8	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-45.6	174.1	0	0	0	0	0	111.2	S347 S352 E353	S347-A349 PolarHBondContact O-N 3.37Å; S347-A349 PolarHBondContact OG-N 2.8Å; A349-S352 CarbonylContact O-C 3.51Å; A349-S352 PolarHBondContact O-N 3.47Å; A349-S352 PolarHBondContact O-OG 3.34Å; A349-E353 WeakPolarHBondContact O-CB 3.39Å; A349-E353 PolarHBondContact O-N 3.37Å
350	L	90.4	Very high	90.1	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-41.2	179	-59.6	163.1	0	0	0	111.4	P344 G345 S347 S352 E353 N354 R443	P344-L350 HydrophobicContact CG-CD1 3.42Å; P344-L350 VanDerWaalsContact CG-CD1 3.42Å; P344-L350 HydrophobicContact CG-CD2 4.15Å; P344-L350 HydrophobicContact CG-CG 4.33Å; G345-L350 VanDerWaalsContact O-CD1 3.26Å; G345-L350 WeakPolarHBondContact O-CD1 3.32Å; S347-L350 PolarHBondContact O-N 2.98Å; L350-S352 PolarHBondContact O-N 3.12Å; L350-E353 PolarHBondContact O-N 3.46Å; L350-N354 VanDerWaalsContact O-CB 3.25Å; L350-N354 WeakPolarHBondContact O-CB 3.24Å; L350-N354 PolarHBondContact O-N 2.77Å; L350-N354 PolarHBondContact O-ND2 2.86Å; L350-R443 HydrophobicContact CD2-CG 3.71Å
351	F	91	Very high	90.2	Very high	70 Å²	70	49.6 Å²	49.6	31%	0.307	28%	0.279	S	S	.	.	H	α-helix	trans	-56.2	-35.3	171.8	-87.6	-71.2	0	0	0	112.5	I127 F346 S347 F355 L436 G440	I127-F351 HydrophobicContact CD1-CD1 3.62Å; I127-F351 HydrophobicContact CD1-CE1 4.16Å; F346-F351 AromaticContact CD1-CE2 3.95Å; F346-F351 HydrophobicContact CD1-CE2 3.95Å; F346-F351 HydrophobicContact CD1-CZ 4.36Å; F346-F351 HydrophobicContact CE1-CE2 4.26Å; F346-F351 HydrophobicContact CE1-CZ 4.21Å; S347-F351 WeakPolarHBondContact O-CD2 3.44Å; S347-F351 PolarHBondContact O-N 2.82Å; F351-F355 WeakPolarHBondContact O-CB 3.38Å; F351-F355 PolarHBondContact O-N 3.34Å; F351-L436 HydrophobicContact CE1-CB 4.46Å; F351-L436 HydrophobicContact CE1-CD2 4.46Å; F351-L436 WeakPolarHBondContact CE1-O 3.38Å; F351-L436 VanDerWaalsContact CZ-O 3.31Å; F351-L436 WeakPolarHBondContact CZ-O 3.5Å; F351-G440 VanDerWaalsContact CE2-CA 3.45Å; F351-G440 VanDerWaalsContact CZ-CA 3.5Å
352	S	92.2	Very high	90.1	Very high	85 Å²	85	53.6 Å²	53.6	59%	0.594	30%	0.296	S	S	*	.	H	α-helix	trans	-80.2	-35.2	175.5	69	0	0	0	0	114	S348 A349 L350	S348-S352 PolarHBondContact O-N 2.84Å; S348-S352 VanDerWaalsContact O-N 3.17Å; A349-S352 CarbonylContact O-C 3.51Å; A349-S352 PolarHBondContact O-N 3.47Å; A349-S352 PolarHBondContact O-OG 3.34Å; L350-S352 PolarHBondContact O-N 3.12Å
353	E	90.9	Very high	90.1	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-68.1	-39.9	177.5	-171.3	-172.3	143.4	0	0	111.7	A349 L350	A349-E353 WeakPolarHBondContact O-CB 3.39Å; A349-E353 PolarHBondContact O-N 3.37Å; L350-E353 PolarHBondContact O-N 3.46Å
354	N	94.1	Very high	90.1	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	31%	0.307	C	S	.	.	S	Bend	trans	-92	-0.6	-178.7	-65.6	-32.6	0	0	0	113.5	G126 I127 L350 G439 I442 G444	G126-N354 CarbonylContact C-O 3.42Å; G126-N354 WeakPolarHBondContact CA-O 3.39Å; I127-N354 HydrophobicContact CD1-CB 3.94Å; I127-N354 HydrophobicContact CG1-CB 4.17Å; I127-N354 WeakPolarHBondContact CG1-O 3.49Å; I127-N354 PolarHBondContact N-O 2.92Å; L350-N354 VanDerWaalsContact O-CB 3.25Å; L350-N354 WeakPolarHBondContact O-CB 3.24Å; L350-N354 PolarHBondContact O-N 2.77Å; L350-N354 PolarHBondContact O-ND2 2.86Å; N354-G439 PolarHBondContact ND2-O 3.4Å; N354-I442 PolarHBondContact ND2-O 3.11Å; N354-G444 WeakPolarHBondContact OD1-CA 3.49Å; N354-G444 PolarHBondContact OD1-N 3.21Å; N354-G444 VanDerWaalsContact OD1-N 3.09Å
355	F	93.1	Very high	90.1	Very high	129 Å²	129	55.2 Å²	55.2	57%	0.566	31%	0.306	S	S	*	.	S	Bend	trans	-65.6	-49.1	177.3	-163.9	-94.9	0	0	0	114.4	I127 F351	I127-F355 HydrophobicContact CB-CD2 4.46Å; F351-F355 WeakPolarHBondContact O-CB 3.38Å; F351-F355 PolarHBondContact O-N 3.34Å
356	P	92.2	Very high	89.9	Confident	70 Å²	70	56.2 Å²	56.2	46%	0.455	31%	0.311	S	S	.	.	S	Bend	trans	-75.1	151.8	-177.4	31.8	-35.8	0	0	0	112.3	G126	G126-P356 WeakPolarHBondContact CA-O 3.41Å
357	S	92.1	Very high	89.8	Confident	44 Å²	44	55 Å²	55	31%	0.308	31%	0.312	S	S	.	.			trans	-69.1	159.2	168.7	45.6	0	0	0	0	112.1	A125 E129	A125-S357 WeakPolarHBondContact O-CA 3.4Å; A125-S357 WeakPolarHBondContact O-CB 3.44Å; E129-S357 WeakPolarHBondContact OE1-CB 3.5Å; E129-S357 PolarHBondContact OE1-OG 3.02Å
358	S	89	Confident	89.6	Confident	21 Å²	21	55.9 Å²	55.9	15%	0.147	33%	0.328	C	S	.	.			trans	-154.2	61.9	-179.2	-70.6	0	0	0	0	108.4	I124 M360 R448	I124-S358 CarbonylContact O-C 3.55Å; I124-S358 PolarHBondContact O-N 3.3Å; S358-M360 WeakPolarHBondContact O-CG 3.33Å; S358-R448 PolarHBondContact OG-NH2 3.38Å
359	Y	92.1	Very high	89.5	Confident	60 Å²	60	54.1 Å²	54.1	24%	0.235	31%	0.31	C	S	.	.			trans	-59.8	143.5	170.3	-65.6	-69.8	0	0	0	110.8	I124 E129 N384 F385 L388	I124-Y359 HydrophobicContact CG2-CD1 3.81Å; I124-Y359 HydrophobicContact CG2-CE1 4.2Å; E129-Y359 VanDerWaalsContact OE2-CE2 3.25Å; E129-Y359 WeakPolarHBondContact OE2-CE2 3.45Å; E129-Y359 VanDerWaalsContact OE2-CZ 3.32Å; E129-Y359 PolarHBondContact OE2-OH 3.29Å; Y359-N384 VanDerWaalsContact CE1-C 3.45Å; Y359-F385 WeakPolarHBondContact OH-CA 3.44Å; Y359-F385 WeakPolarHBondContact OH-CB 3.27Å; Y359-L388 HydrophobicContact CE1-CD1 3.81Å
360	M	89.6	Confident	89.3	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.02	32%	0.32	C	S	.	.			trans	-142.4	148.4	-169.4	-72.7	172.6	65.2	0	0	111.1	S358 E364 V365 P367 Q379 T383	S358-M360 WeakPolarHBondContact O-CG 3.33Å; M360-E364 WeakPolarHBondContact CA-OE2 3.34Å; M360-E364 HydrophobicContact CB-CB 4.3Å; M360-E364 HydrophobicContact CE-CB 3.61Å; M360-E364 WeakPolarHBondContact CE-O 3.08Å; M360-V365 WeakPolarHBondContact CE-O 3.46Å; M360-P367 HydrophobicContact CG-CB 4.34Å; M360-P367 HydrophobicContact CG-CG 3.79Å; M360-P367 HydrophobicContact SD-CG 4.42Å; M360-Q379 HydrophobicContact CB-CG 3.98Å; M360-Q379 HydrophobicContact CE-CG 3.57Å; M360-Q379 HydrophobicContact SD-CG 3.92Å; M360-T383 PolarHBondContact N-OG1 3.24Å; M360-T383 VanDerWaalsContact N-OG1 3.1Å; M360-T383 PolarHBondContact O-N 3.31Å; M360-T383 PolarHBondContact O-OG1 2.95Å
361	E	90.7	Very high	88.8	Confident	133 Å²	133	56 Å²	56	62%	0.621	33%	0.328	S	S	*	.			trans	-85.7	163.2	171.6	-63.2	-163.1	172.7	0	0	112.3	G363 E364 T382	E361-G363 PolarHBondContact O-N 2.85Å; E361-E364 HydrophobicContact CB-CG 4.13Å; E361-E364 PolarHBondContact N-OE2 2.86Å; E361-E364 WeakPolarHBondContact O-CB 3.34Å; E361-E364 PolarHBondContact O-N 3.48Å; E361-E364 VanDerWaalsContact O-N 3.14Å; E361-T382 HydrophobicContact CB-CG2 4.14Å; E361-T382 HydrophobicContact CG-CG2 4.43Å
362	H	88	Confident	88.5	Confident	99 Å²	99	55.6 Å²	55.6	46%	0.458	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126.8	178.3	166.6	94.2	0	0	0	110	E220 D380 T382	E220-H362 IonicContact OE1-CE1 3.82Å; H362-D380 PolarHBondContact ND1-O 2.91Å; H362-T382 HydrophobicContact CB-CG2 4.02Å
363	G	86.9	Confident	87.8	Confident	12 Å²	12	55.1 Å²	55.1	12%	0.124	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	0.7	-176.3	0	0	0	0	0	115.6	E361 G371 Q379	E361-G363 PolarHBondContact O-N 2.85Å; G363-G371 PolarHBondContact O-N 3.45Å; G363-Q379 PolarHBondContact N-O 3.24Å
364	E	90.6	Very high	87.1	Confident	25 Å²	25	55.4 Å²	55.4	12%	0.117	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151.2	174.5	-63.6	-163.4	131.5	0	0	113.4	M360 E361 G368 I369 T378 Q379	M360-E364 WeakPolarHBondContact CA-OE2 3.34Å; M360-E364 HydrophobicContact CB-CB 4.3Å; M360-E364 HydrophobicContact CE-CB 3.61Å; M360-E364 WeakPolarHBondContact CE-O 3.08Å; E361-E364 HydrophobicContact CB-CG 4.13Å; E361-E364 PolarHBondContact N-OE2 2.86Å; E361-E364 WeakPolarHBondContact O-CB 3.34Å; E361-E364 PolarHBondContact O-N 3.48Å; E361-E364 VanDerWaalsContact O-N 3.14Å; E364-G368 WeakPolarHBondContact OE1-CA 3.41Å; E364-G368 PolarHBondContact OE1-N 3.27Å; E364-G368 PolarHBondContact OE2-N 2.85Å; E364-I369 WeakPolarHBondContact CA-O 3.48Å; E364-I369 PolarHBondContact OE1-N 2.9Å; E364-I369 VanDerWaalsContact OE1-N 3.1Å; E364-T378 CarbonylContact O-C 3.6Å; E364-T378 VanDerWaalsContact O-CA 3.28Å; E364-T378 WeakPolarHBondContact O-CA 3.06Å; E364-Q379 PolarHBondContact O-N 2.92Å
365	V	86.6	Confident	86.5	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-37.1	173.6	-173.2	0	0	0	0	111.6	R288 M360 I369 E376 V377 T378	R288-V365 HydrophobicContact CB-CG1 3.82Å; R288-V365 HydrophobicContact CG-CB 4.36Å; R288-V365 HydrophobicContact CG-CG1 3.75Å; M360-V365 WeakPolarHBondContact CE-O 3.46Å; V365-I369 PolarHBondContact N-O 3.03Å; V365-E376 HydrophobicContact CG1-CB 4.44Å; V365-E376 HydrophobicContact CG2-CB 3.72Å; V365-E376 HydrophobicContact CG2-CG 4.45Å; V365-V377 WeakPolarHBondContact CG1-O 3.45Å; V365-T378 HydrophobicContact CG2-CG2 3.92Å
366	T	84.3	Confident	86.2	Confident	26 Å²	26	50.2 Å²	50.2	16%	0.16	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.9	172.8	53.5	0	0	0	0	107.6	G368 I369	T366-G368 PolarHBondContact O-N 2.89Å; T366-I369 PolarHBondContact O-N 3.13Å
367	P	85.1	Confident	85.9	Confident	58 Å²	58	47.3 Å²	47.3	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	125.9	-175.7	-28.8	34.2	0	0	0	113.7	M360	M360-P367 HydrophobicContact CG-CB 4.34Å; M360-P367 HydrophobicContact CG-CG 3.79Å; M360-P367 HydrophobicContact SD-CG 4.42Å
368	G	83.4	Confident	85.7	Confident	66 Å²	66	46 Å²	46	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	9.5	-178.2	0	0	0	0	0	115.3	E364 T366	E364-G368 WeakPolarHBondContact OE1-CA 3.41Å; E364-G368 PolarHBondContact OE1-N 3.27Å; E364-G368 PolarHBondContact OE2-N 2.85Å; T366-G368 PolarHBondContact O-N 2.89Å
369	I	86.5	Confident	85.7	Confident	66 Å²	66	45.3 Å²	45.3	34%	0.338	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	102	-177.3	-53.7	-172.4	0	0	0	111	R288 E364 V365 T366	R288-I369 VanDerWaalsContact NH2-CG2 3.3Å; E364-I369 WeakPolarHBondContact CA-O 3.48Å; E364-I369 PolarHBondContact OE1-N 2.9Å; E364-I369 VanDerWaalsContact OE1-N 3.1Å; V365-I369 PolarHBondContact N-O 3.03Å; T366-I369 PolarHBondContact O-N 3.13Å
370	A	86.1	Confident	85.3	Confident	79 Å²	79	43.9 Å²	43.9	65%	0.653	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.6	168.8	0	0	0	0	0	112.2
371	G	80.8	Confident	85.2	Confident	18 Å²	18	44.6 Å²	44.6	19%	0.186	28%	0.276	C	S	.	.			trans	-104.1	-176.8	-179.9	0	0	0	0	0	114.7	G363	G363-G371 PolarHBondContact O-N 3.45Å
372	V	83.9	Confident	85.2	Confident	61 Å²	61	42.1 Å²	42.1	37%	0.37	27%	0.27	S	S	.	.			trans	-119	102.2	167.7	-176.1	0	0	0	0	108.5	S374 R375 E376	V372-S374 PolarHBondContact O-N 3.27Å; V372-R375 HydrophobicContact CB-CG 3.86Å; V372-R375 HydrophobicContact CG1-CG 4.07Å; V372-R375 WeakPolarHBondContact O-CG 3.41Å; V372-R375 PolarHBondContact O-N 3.43Å; V372-E376 PolarHBondContact N-OE2 3.28Å; V372-E376 PolarHBondContact O-N 3.19Å
373	N	77.3	Confident	85.3	Confident	75 Å²	75	38 Å²	38	40%	0.401	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-11	-170	-52.5	31.6	0	0	0	115.1	K291	K291-N373 WeakPolarHBondContact CE-O 3.23Å; K291-N373 PolarHBondContact NZ-O 3.08Å
374	S	76.2	Confident	85.6	Confident	98 Å²	98	41.2 Å²	41.2	69%	0.685	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.5	175.5	60.5	0	0	0	0	114.8	V372	V372-S374 PolarHBondContact O-N 3.27Å
375	R	82.5	Confident	85.6	Confident	24 Å²	24	42.4 Å²	42.4	9%	0.091	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-28.8	-175.5	59.2	174.8	-160.1	-173.3	6.4	114.3	L290 K291 F293 Y316 D329 V372	L290-R375 WeakPolarHBondContact CA-O 3.48Å; K291-R375 PolarHBondContact N-O 2.88Å; F293-R375 HydrophobicContact CZ-CB 4.03Å; Y316-R375 VanDerWaalsContact CE1-NH1 3.34Å; D329-R375 IonicContact OD2-CZ 3.02Å; D329-R375 VanDerWaalsContact OD2-CZ 3.3Å; D329-R375 IonicContact OD2-NH1 3.52Å; D329-R375 PolarHBondContact OD2-NH1 2.91Å; D329-R375 IonicContact OD2-NH2 3.75Å; D329-R375 PolarHBondContact OD2-NH2 3.25Å; V372-R375 HydrophobicContact CB-CG 3.86Å; V372-R375 HydrophobicContact CG1-CG 4.07Å; V372-R375 WeakPolarHBondContact O-CG 3.41Å; V372-R375 PolarHBondContact O-N 3.43Å
376	E	86.2	Confident	85.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-113.1	141.8	-177.9	-72.8	150.3	150.9	0	0	109.8	R288 L290 K291 Y316 V365 V372 T378	R288-E376 WeakPolarHBondContact CD-OE1 3.31Å; R288-E376 IonicContact CZ-OE1 2.95Å; R288-E376 IonicContact NE-OE1 2.76Å; R288-E376 IonicContact NH1-OE1 3.3Å; R288-E376 PolarHBondContact NH1-OE1 2.93Å; R288-E376 IonicContact NH1-OE2 3.81Å; L290-E376 HydrophobicContact CD2-CG 4.01Å; K291-E376 WeakPolarHBondContact CE-O 3.35Å; Y316-E376 WeakPolarHBondContact OH-CG 3.39Å; Y316-E376 PolarHBondContact OH-OE1 3.1Å; V365-E376 HydrophobicContact CG1-CB 4.44Å; V365-E376 HydrophobicContact CG2-CB 3.72Å; V365-E376 HydrophobicContact CG2-CG 4.45Å; V372-E376 PolarHBondContact N-OE2 3.28Å; V372-E376 PolarHBondContact O-N 3.19Å; E376-T378 PolarHBondContact O-N 3.29Å
377	V	86.4	Confident	86.1	Confident	10 Å²	10	45.8 Å²	45.8	6%	0.061	28%	0.284	C	S	.	.			trans	-69	126.8	174	180	0	0	0	0	108.7	L289 K291 V365 D449 E453	L289-V377 HydrophobicContact CB-CB 4.36Å; L289-V377 HydrophobicContact CB-CG2 4.33Å; L289-V377 HydrophobicContact CD2-CB 4.25Å; L289-V377 HydrophobicContact CD2-CG1 4.5Å; L289-V377 HydrophobicContact CD2-CG2 3.93Å; L289-V377 HydrophobicContact CG-CB 4.31Å; L289-V377 HydrophobicContact CG-CG2 3.82Å; L289-V377 PolarHBondContact O-N 3.14Å; K291-V377 HydrophobicContact CG-CG2 4Å; V365-V377 WeakPolarHBondContact CG1-O 3.45Å; V377-D449 HydrophobicContact CG1-CB 4.13Å; V377-E453 HydrophobicContact CG2-CB 4.35Å
378	T	88	Confident	86.4	Confident	17 Å²	17	43 Å²	43	10%	0.104	27%	0.266	C	S	.	.			trans	-131.4	142.8	-171.4	48.3	0	0	0	0	111.3	E364 V365 E376	E364-T378 CarbonylContact O-C 3.6Å; E364-T378 VanDerWaalsContact O-CA 3.28Å; E364-T378 WeakPolarHBondContact O-CA 3.06Å; V365-T378 HydrophobicContact CG2-CG2 3.92Å; E376-T378 PolarHBondContact O-N 3.29Å
379	Q	88.2	Confident	86.8	Confident	6 Å²	6	40 Å²	40	3%	0.028	24%	0.235	C	C	.	.			trans	-70.2	137.1	178.5	-64.3	-55.2	-46.7	0	0	112.5	M360 G363 E364 R448	M360-Q379 HydrophobicContact CB-CG 3.98Å; M360-Q379 HydrophobicContact CE-CG 3.57Å; M360-Q379 HydrophobicContact SD-CG 3.92Å; G363-Q379 PolarHBondContact N-O 3.24Å; E364-Q379 PolarHBondContact O-N 2.92Å; Q379-R448 PolarHBondContact NE2-O 2.91Å
380	D	83.2	Confident	86.9	Confident	29 Å²	29	36.9 Å²	36.9	16%	0.155	22%	0.218	C	C	.	.	S	Bend	trans	-87.9	-20.3	-176	69.7	-17.6	0	0	0	113.8	H362 K450 Y451	H362-D380 PolarHBondContact ND1-O 2.91Å; D380-K450 WeakPolarHBondContact OD1-CD 3.34Å; D380-K450 IonicContact OD1-NZ 3.98Å; D380-K450 PolarHBondContact OD1-NZ 2.94Å; D380-K450 IonicContact OD2-NZ 2.72Å; D380-K450 PolarHBondContact OD2-NZ 3.35Å; D380-Y451 WeakPolarHBondContact OD2-CE2 3.08Å; D380-Y451 PolarHBondContact OD2-OH 2.89Å
381	I	87.4	Confident	87.2	Confident	20 Å²	20	33.1 Å²	33.1	10%	0.103	19%	0.187	C	C	.	.	S	Bend	trans	-133	151.8	172.7	64.8	178.7	0	0	0	111.7	W120 T383 L387 I391 D540	W120-I381 HydrophobicContact CH2-CD1 3.96Å; W120-I381 HydrophobicContact CH2-CG1 4.13Å; W120-I381 HydrophobicContact CZ2-CG1 4.3Å; I381-T383 HydrophobicContact CG1-CG2 4.24Å; I381-L387 HydrophobicContact CD1-CD2 4.21Å; I381-I391 HydrophobicContact CD1-CD1 3.98Å; I381-D540 HydrophobicContact CD1-CB 4.27Å
382	T	91	Very high	87.7	Confident	80 Å²	80	32.3 Å²	32.3	49%	0.491	18%	0.179	S	C	.	.			trans	-65.7	133.4	168.3	47	0	0	0	0	109.4	E361 H362 L387	E361-T382 HydrophobicContact CB-CG2 4.14Å; E361-T382 HydrophobicContact CG-CG2 4.43Å; H362-T382 HydrophobicContact CB-CG2 4.02Å; T382-L387 WeakPolarHBondContact O-CD2 3.32Å
383	T	91	Very high	88.1	Confident	13 Å²	13	29.4 Å²	29.4	8%	0.08	16%	0.161	C	C	.	.			trans	-117.4	140	-171.9	51.8	0	0	0	0	113.4	W120 I124 M360 I381 L388	W120-T383 HydrophobicContact CH2-CG2 3.92Å; W120-T383 HydrophobicContact CZ2-CG2 3.85Å; I124-T383 HydrophobicContact CD1-CG2 3.83Å; I124-T383 HydrophobicContact CG2-CG2 4.41Å; M360-T383 PolarHBondContact N-OG1 3.24Å; M360-T383 VanDerWaalsContact N-OG1 3.1Å; M360-T383 PolarHBondContact O-N 3.31Å; M360-T383 PolarHBondContact O-OG1 2.95Å; I381-T383 HydrophobicContact CG1-CG2 4.24Å; T383-L388 HydrophobicContact CG2-CD2 4.23Å
384	N	91.9	Very high	88.7	Confident	79 Å²	79	25.9 Å²	25.9	42%	0.422	14%	0.142	S	C	.	.			trans	-149.7	164.9	170.4	68.7	59.6	0	0	0	110	Y359 F386 L387 L388	Y359-N384 VanDerWaalsContact CE1-C 3.45Å; N384-F386 VanDerWaalsContact C-N 3.33Å; N384-F386 PolarHBondContact O-N 3.46Å; N384-F386 PolarHBondContact OD1-N 2.97Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; N384-L387 PolarHBondContact O-N 3.08Å; N384-L387 PolarHBondContact OD1-N 3.42Å; N384-L388 PolarHBondContact O-N 2.87Å
385	F	91.9	Very high	89.5	Confident	50 Å²	50	21.3 Å²	21.3	22%	0.219	11%	0.11	C	C	.	.	H	α-helix	trans	-52	-45.2	-175.9	-178.2	-92.2	0	0	0	113.7	E129 M133 Y359 L389	E129-F385 HydrophobicContact CB-CD2 4.24Å; E129-F385 HydrophobicContact CB-CE2 4.2Å; M133-F385 HydrophobicContact CB-CE2 3.98Å; M133-F385 HydrophobicContact CB-CZ 4.05Å; M133-F385 HydrophobicContact CE-CD2 3.67Å; M133-F385 HydrophobicContact CE-CE2 3.76Å; M133-F385 HydrophobicContact CE-CG 4.25Å; M133-F385 HydrophobicContact CE-CZ 4.4Å; M133-F385 WeakPolarHBondContact CE-O 3.5Å; M133-F385 HydrophobicContact CG-CE2 4.49Å; M133-F385 HydrophobicContact CG-CZ 4.39Å; Y359-F385 WeakPolarHBondContact OH-CA 3.44Å; Y359-F385 WeakPolarHBondContact OH-CB 3.27Å; F385-L389 HydrophobicContact CE1-CD1 3.86Å; F385-L389 HydrophobicContact CZ-CD1 4.39Å; F385-L389 WeakPolarHBondContact O-CB 3.49Å; F385-L389 PolarHBondContact O-N 3.16Å
386	F	90.6	Very high	89.9	Confident	79 Å²	79	20.1 Å²	20.1	35%	0.346	11%	0.106	S	C	.	.	H	α-helix	trans	-74.8	-33.4	-175.7	-60.4	-66.3	0	0	0	112.9	N384 L389 A390	N384-F386 VanDerWaalsContact C-N 3.33Å; N384-F386 PolarHBondContact O-N 3.46Å; N384-F386 PolarHBondContact OD1-N 2.97Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; F386-L389 PolarHBondContact O-N 3.22Å; F386-A390 WeakPolarHBondContact O-CB 3.42Å; F386-A390 PolarHBondContact O-N 3.26Å
387	L	89.5	Confident	90.2	Very high	34 Å²	34	20.1 Å²	20.1	18%	0.178	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-44.9	173.3	-177.3	65.2	0	0	0	111.3	I381 T382 N384 L389 A390 I391	I381-L387 HydrophobicContact CD1-CD2 4.21Å; T382-L387 WeakPolarHBondContact O-CD2 3.32Å; N384-L387 PolarHBondContact O-N 3.08Å; N384-L387 PolarHBondContact OD1-N 3.42Å; L387-L389 VanDerWaalsContact C-N 3.28Å; L387-L389 PolarHBondContact O-N 2.85Å; L387-A390 PolarHBondContact O-N 2.88Å; L387-I391 HydrophobicContact CD1-CD1 4.4Å; L387-I391 HydrophobicContact CG-CD1 4.06Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3Å
388	L	92.3	Very high	90.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-37.7	175	-66.4	-174.8	0	0	0	111.6	W120 I121 I124 A125 M133 Y359 T383 N384 I391 F392	W120-L388 HydrophobicContact CE3-CD2 4.24Å; W120-L388 HydrophobicContact CH2-CD2 3.62Å; W120-L388 HydrophobicContact CZ3-CD2 3.44Å; W120-L388 VanDerWaalsContact CZ3-CD2 3.44Å; I121-L388 HydrophobicContact CG1-CD2 4.3Å; I124-L388 HydrophobicContact CB-CD1 4.19Å; I124-L388 HydrophobicContact CG2-CD1 3.94Å; A125-L388 HydrophobicContact CB-CD1 4.02Å; M133-L388 HydrophobicContact CE-CB 3.71Å; M133-L388 HydrophobicContact SD-CB 3.98Å; Y359-L388 HydrophobicContact CE1-CD1 3.81Å; T383-L388 HydrophobicContact CG2-CD2 4.23Å; N384-L388 PolarHBondContact O-N 2.87Å; L388-I391 PolarHBondContact O-N 3.31Å; L388-F392 WeakPolarHBondContact O-CB 3.42Å; L388-F392 PolarHBondContact O-N 2.93Å
389	L	91.8	Very high	90.4	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-46.2	174.2	-168	164.4	0	0	0	111.3	M133 L136 F385 F386 L387 I391 F392 Y393 I594	M133-L389 HydrophobicContact CG-CB 3.83Å; M133-L389 HydrophobicContact CG-CD1 4.26Å; M133-L389 HydrophobicContact CG-CG 3.87Å; M133-L389 HydrophobicContact SD-CB 4.09Å; L136-L389 HydrophobicContact CD2-CD1 4.05Å; F385-L389 HydrophobicContact CE1-CD1 3.86Å; F385-L389 HydrophobicContact CZ-CD1 4.39Å; F385-L389 WeakPolarHBondContact O-CB 3.49Å; F385-L389 PolarHBondContact O-N 3.16Å; F386-L389 PolarHBondContact O-N 3.22Å; L387-L389 VanDerWaalsContact C-N 3.28Å; L387-L389 PolarHBondContact O-N 2.85Å; L389-I391 PolarHBondContact O-N 2.93Å; L389-F392 CarbonylContact O-C 3.59Å; L389-F392 PolarHBondContact O-N 3.04Å; L389-F392 VanDerWaalsContact O-N 3.14Å; L389-Y393 WeakPolarHBondContact O-CB 3.35Å; L389-Y393 PolarHBondContact O-N 2.91Å; L389-I594 HydrophobicContact CD2-CG2 3.48Å; L389-I594 VanDerWaalsContact CD2-CG2 3.48Å
390	A	89.3	Confident	90.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-31.9	177.8	0	0	0	0	0	113.6	F386 L387 P394 P544 T598	F386-A390 WeakPolarHBondContact O-CB 3.42Å; F386-A390 PolarHBondContact O-N 3.26Å; L387-A390 PolarHBondContact O-N 2.88Å; A390-P394 VanDerWaalsContact O-CD 3.27Å; A390-P394 WeakPolarHBondContact O-CD 3.33Å; A390-P544 HydrophobicContact CB-CB 4.19Å; A390-P544 HydrophobicContact CB-CG 4.22Å; A390-T598 HydrophobicContact CB-CG2 3.56Å
391	I	91.1	Very high	90.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.9	-37.1	171	-67.7	166.2	0	0	0	110.6	R117 W120 I381 L387 L388 L389 D540	R117-I391 HydrophobicContact CB-CG2 4.46Å; R117-I391 HydrophobicContact CG-CG2 4.3Å; W120-I391 HydrophobicContact CH2-CD1 4.49Å; W120-I391 HydrophobicContact CZ3-CD1 4.28Å; I381-I391 HydrophobicContact CD1-CD1 3.98Å; L387-I391 HydrophobicContact CD1-CD1 4.4Å; L387-I391 HydrophobicContact CG-CD1 4.06Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3Å; L388-I391 PolarHBondContact O-N 3.31Å; L389-I391 PolarHBondContact O-N 2.93Å; I391-D540 HydrophobicContact CD1-CB 4.23Å
392	F	92.4	Very high	90.1	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-75.2	-40	178.9	-175.3	-103.2	0	0	0	113.8	L118 I121 V134 C137 L388 L389 P394 S395 V396 Y431	L118-F392 HydrophobicContact CD1-CD2 4.36Å; L118-F392 HydrophobicContact CD1-CE2 3.91Å; I121-F392 HydrophobicContact CD1-CB 3.94Å; I121-F392 HydrophobicContact CD1-CD2 4Å; I121-F392 HydrophobicContact CD1-CG 4.41Å; V134-F392 HydrophobicContact CB-CE1 4.15Å; V134-F392 HydrophobicContact CB-CZ 4.29Å; V134-F392 HydrophobicContact CG1-CE1 4.15Å; V134-F392 HydrophobicContact CG1-CZ 4.04Å; V134-F392 HydrophobicContact CG2-CD1 4.34Å; V134-F392 HydrophobicContact CG2-CE1 3.78Å; V134-F392 HydrophobicContact CG2-CE2 4.09Å; V134-F392 HydrophobicContact CG2-CZ 3.66Å; C137-F392 HydrophobicContact CB-CD1 4.19Å; C137-F392 HydrophobicContact CB-CE1 4.15Å; L388-F392 WeakPolarHBondContact O-CB 3.42Å; L388-F392 PolarHBondContact O-N 2.93Å; L389-F392 CarbonylContact O-C 3.59Å; L389-F392 PolarHBondContact O-N 3.04Å; L389-F392 VanDerWaalsContact O-N 3.14Å; F392-P394 VanDerWaalsContact C-CD 3.46Å; F392-P394 VanDerWaalsContact O-N 3.16Å; F392-S395 WeakPolarHBondContact CE1-OG 3.47Å; F392-S395 WeakPolarHBondContact CE2-OG 3.31Å; F392-S395 WeakPolarHBondContact CZ-OG 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.25Å; F392-S395 PolarHBondContact O-N 3.01Å; F392-S395 PolarHBondContact O-OG 3.15Å; F392-V396 HydrophobicContact CE1-CG1 4.08Å; F392-Y431 HydrophobicContact CZ-CD2 4.4Å; F392-Y431 HydrophobicContact CZ-CG 4.23Å
393	Y	91.9	Very high	89.8	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-54.3	-38.6	-167	-167.1	-84.8	0	0	0	114.8	C137 C140 L389 S395 V396 T397 D547 L551 Y554 I594	C137-Y393 HydrophobicContact CB-CD2 4.02Å; C137-Y393 HydrophobicContact CB-CE2 4.39Å; C140-Y393 HydrophobicContact CB-CE2 4.31Å; C140-Y393 PolarHBondContact SG-OH 3.33Å; C140-Y393 VanDerWaalsContact SG-OH 3.32Å; L389-Y393 WeakPolarHBondContact O-CB 3.35Å; L389-Y393 PolarHBondContact O-N 2.91Å; Y393-S395 PolarHBondContact O-N 2.93Å; Y393-V396 HydrophobicContact CD1-CG2 4.4Å; Y393-V396 HydrophobicContact CD2-CG2 4.12Å; Y393-V396 HydrophobicContact CE1-CG2 4.43Å; Y393-V396 HydrophobicContact CE2-CG2 4.15Å; Y393-V396 HydrophobicContact CG-CG2 4.25Å; Y393-V396 WeakPolarHBondContact O-CG2 3.48Å; Y393-V396 PolarHBondContact O-N 3.2Å; Y393-T397 HydrophobicContact CD1-CG2 3.94Å; Y393-T397 HydrophobicContact CE1-CG2 3.93Å; Y393-D547 WeakPolarHBondContact CB-OD1 3.41Å; Y393-D547 WeakPolarHBondContact CD1-OD1 3.34Å; Y393-L551 HydrophobicContact CD1-CG 4.45Å; Y393-L551 HydrophobicContact CD2-CD2 4.44Å; Y393-L551 HydrophobicContact CE1-CD2 3.94Å; Y393-L551 HydrophobicContact CE1-CG 4.08Å; Y393-L551 HydrophobicContact CE2-CD2 3.81Å; Y393-Y554 HydrophobicContact CE1-CD2 4.49Å; Y393-Y554 HydrophobicContact CE1-CE2 4.24Å; Y393-Y554 WeakPolarHBondContact OH-CD2 3.34Å; Y393-I594 HydrophobicContact CD2-CD1 4.49Å; Y393-I594 HydrophobicContact CE2-CD1 4.16Å
394	P	90.8	Very high	89.2	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-52.2	-25.3	173.3	-30.7	38.3	0	0	0	114.9	M192 A390 F392 V396 T397 A543 V546 D547	M192-P394 HydrophobicContact CE-CB 3.79Å; M192-P394 HydrophobicContact SD-CB 3.66Å; M192-P394 HydrophobicContact SD-CG 4.08Å; A390-P394 VanDerWaalsContact O-CD 3.27Å; A390-P394 WeakPolarHBondContact O-CD 3.33Å; F392-P394 VanDerWaalsContact C-CD 3.46Å; F392-P394 VanDerWaalsContact O-N 3.16Å; P394-V396 VanDerWaalsContact C-N 3.33Å; P394-V396 PolarHBondContact O-N 3.05Å; P394-T397 PolarHBondContact O-N 2.56Å; P394-T397 PolarHBondContact O-OG1 3.41Å; P394-A543 HydrophobicContact CG-CB 4.15Å; P394-A543 WeakPolarHBondContact CG-O 3.48Å; P394-V546 HydrophobicContact CB-CG1 4.16Å; P394-V546 HydrophobicContact CG-CB 4.28Å; P394-V546 HydrophobicContact CG-CG1 4.14Å; P394-D547 HydrophobicContact CG-CB 4.46Å
395	S	91.3	Very high	88.2	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.014	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-66.4	-25.3	174.9	71.7	0	0	0	0	114.9	I109 F392 Y393 Y431	I109-S395 VanDerWaalsContact CG2-O 3.3Å; I109-S395 WeakPolarHBondContact CG2-O 3.43Å; F392-S395 WeakPolarHBondContact CE1-OG 3.47Å; F392-S395 WeakPolarHBondContact CE2-OG 3.31Å; F392-S395 WeakPolarHBondContact CZ-OG 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.25Å; F392-S395 PolarHBondContact O-N 3.01Å; F392-S395 PolarHBondContact O-OG 3.15Å; Y393-S395 PolarHBondContact O-N 2.93Å; S395-Y431 PolarHBondContact O-OH 3.25Å; S395-Y431 VanDerWaalsContact O-OH 3.09Å
396	V	92.7	Very high	87.4	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-94.1	1.7	176.2	-63.5	0	0	0	0	112.6	C137 T141 F392 Y393 P394 Y431	C137-V396 HydrophobicContact CB-CG1 4.18Å; C137-V396 HydrophobicContact CB-CG2 3.85Å; T141-V396 HydrophobicContact CG2-CB 4Å; T141-V396 HydrophobicContact CG2-CG2 3.63Å; F392-V396 HydrophobicContact CE1-CG1 4.08Å; Y393-V396 HydrophobicContact CD1-CG2 4.4Å; Y393-V396 HydrophobicContact CD2-CG2 4.12Å; Y393-V396 HydrophobicContact CE1-CG2 4.43Å; Y393-V396 HydrophobicContact CE2-CG2 4.15Å; Y393-V396 HydrophobicContact CG-CG2 4.25Å; Y393-V396 WeakPolarHBondContact O-CG2 3.48Å; Y393-V396 PolarHBondContact O-N 3.2Å; P394-V396 VanDerWaalsContact C-N 3.33Å; P394-V396 PolarHBondContact O-N 3.05Å; V396-Y431 HydrophobicContact CG1-CD2 4.4Å; V396-Y431 HydrophobicContact CG1-CE2 4.33Å
397	T	91.9	Very high	86.3	Confident	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.			trans	-82.9	157.8	-178.9	71.5	0	0	0	0	112.2	I109 Y393 P394 F550	I109-T397 WeakPolarHBondContact CG1-O 3.38Å; Y393-T397 HydrophobicContact CD1-CG2 3.94Å; Y393-T397 HydrophobicContact CE1-CG2 3.93Å; P394-T397 PolarHBondContact O-N 2.56Å; P394-T397 PolarHBondContact O-OG1 3.41Å; T397-F550 HydrophobicContact CG2-CB 3.85Å; T397-F550 HydrophobicContact CG2-CD1 4.22Å; T397-F550 HydrophobicContact CG2-CD2 3.55Å; T397-F550 HydrophobicContact CG2-CE2 4.1Å; T397-F550 HydrophobicContact CG2-CG 3.62Å
398	G	86.7	Confident	85.2	Confident	1 Å²	1	5.3 Å²	5.3	1%	0.01	3%	0.033	C	C	.	.			trans	115.9	2.6	-179.1	0	0	0	0	0	115.3	H108 F400 T401 Y554	H108-G398 WeakPolarHBondContact ND1-CA 3.28Å; G398-F400 PolarHBondContact O-N 3.16Å; G398-T401 WeakPolarHBondContact O-CB 3.42Å; G398-T401 PolarHBondContact O-N 2.73Å; G398-T401 PolarHBondContact O-OG1 2.91Å; G398-Y554 PolarHBondContact N-OH 3.26Å
399	I	92.1	Very high	84.5	Confident	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.1	179.2	60.8	179	0	0	0	114.8	T144 I148 T420 Q424 Y554	T144-I399 HydrophobicContact CG2-CD1 3.7Å; I148-I399 HydrophobicContact CD1-CB 4.36Å; I148-I399 HydrophobicContact CD1-CD1 3.65Å; I148-I399 HydrophobicContact CD1-CG1 3.75Å; I399-T420 HydrophobicContact CB-CG2 4.04Å; I399-T420 WeakPolarHBondContact O-CG2 3.3Å; I399-Q424 VanDerWaalsContact CG2-OE1 3.27Å; I399-Y554 HydrophobicContact CD1-CE1 4.24Å; I399-Y554 HydrophobicContact CD1-CE2 4.24Å; I399-Y554 HydrophobicContact CG1-CE1 4.23Å
400	F	88.4	Confident	83.8	Confident	1 Å²	1	12.4 Å²	12.4	0%	0.004	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.5	174.4	-79.9	-76.7	0	0	0	114.7	I148 A162 I166 Y182 G398 G402 A403 N404 Y554 V557	I148-F400 HydrophobicContact CD1-CD1 4.04Å; I148-F400 HydrophobicContact CD1-CD2 4.01Å; I148-F400 HydrophobicContact CD1-CE1 3.63Å; I148-F400 HydrophobicContact CD1-CE2 3.59Å; I148-F400 HydrophobicContact CD1-CG 4.21Å; I148-F400 HydrophobicContact CD1-CZ 3.39Å; I148-F400 HydrophobicContact CG1-CD1 4.42Å; I148-F400 HydrophobicContact CG1-CE1 3.63Å; I148-F400 HydrophobicContact CG1-CE2 4.21Å; I148-F400 HydrophobicContact CG1-CZ 3.5Å; I148-F400 VanDerWaalsContact CG1-CZ 3.5Å; I148-F400 HydrophobicContact CG2-CE1 4.44Å; A162-F400 HydrophobicContact CB-CB 4.46Å; A162-F400 HydrophobicContact CB-CD1 4Å; I166-F400 HydrophobicContact CD1-CE1 3.89Å; I166-F400 HydrophobicContact CD1-CZ 4.45Å; Y182-F400 HydrophobicContact CE1-CB 3.93Å; Y182-F400 HydrophobicContact CE2-CB 4.25Å; G398-F400 PolarHBondContact O-N 3.16Å; F400-G402 VanDerWaalsContact C-N 3.35Å; F400-G402 PolarHBondContact O-N 3.45Å; F400-A403 WeakPolarHBondContact O-CA 3.26Å; F400-A403 WeakPolarHBondContact O-CB 3.27Å; F400-A403 PolarHBondContact O-N 3.19Å; F400-N404 PolarHBondContact O-N 3.45Å; F400-N404 VanDerWaalsContact O-N 3.12Å; F400-Y554 HydrophobicContact CD2-CD1 4.41Å; F400-Y554 AromaticContact CD2-CE1 3.85Å; F400-Y554 HydrophobicContact CD2-CE1 3.85Å; F400-Y554 AromaticContact CE2-CD1 3.84Å; F400-Y554 HydrophobicContact CE2-CD1 3.84Å; F400-Y554 AromaticContact CE2-CE1 3.75Å; F400-Y554 HydrophobicContact CE2-CE1 3.75Å; F400-V557 HydrophobicContact CZ-CG1 4.25Å; F400-V557 HydrophobicContact CZ-CG2 3.94Å
401	T	84.4	Confident	83.6	Confident	8 Å²	8	15.1 Å²	15.1	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-41.9	-174.2	-65.5	0	0	0	0	112.3	P104 H108 G398 A403 N404	P104-T401 HydrophobicContact CB-CG2 4.12Å; P104-T401 WeakPolarHBondContact O-CG2 3.25Å; H108-T401 HydrophobicContact CB-CG2 4.15Å; H108-T401 PolarHBondContact CD2-OG1 3.48Å; G398-T401 WeakPolarHBondContact O-CB 3.42Å; G398-T401 PolarHBondContact O-N 2.73Å; G398-T401 PolarHBondContact O-OG1 2.91Å; T401-A403 PolarHBondContact O-N 2.94Å; T401-N404 WeakPolarHBondContact O-CB 3.17Å; T401-N404 PolarHBondContact O-N 2.85Å; T401-N404 VanDerWaalsContact O-N 3.12Å
402	G	79.5	Confident	83.4	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.8	-20.9	172.4	0	0	0	0	0	115	T105 F400	T105-G402 WeakPolarHBondContact OG1-CA 3.29Å; T105-G402 PolarHBondContact OG1-N 2.87Å; T105-G402 VanDerWaalsContact OG1-N 3.12Å; F400-G402 VanDerWaalsContact C-N 3.35Å; F400-G402 PolarHBondContact O-N 3.45Å
403	A	84.2	Confident	83.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-84.4	-18.6	172.6	0	0	0	0	0	112.9	G161 A162 M165 F400 T401 M405 S406 I416	G161-A403 CarbonylContact C-O 3.51Å; G161-A403 VanDerWaalsContact C-O 3.23Å; G161-A403 WeakPolarHBondContact CA-O 2.98Å; A162-A403 HydrophobicContact CB-CB 4.04Å; A162-A403 PolarHBondContact N-O 3.4Å; M165-A403 HydrophobicContact CE-CB 3.84Å; M165-A403 HydrophobicContact SD-CB 4.25Å; F400-A403 WeakPolarHBondContact O-CA 3.26Å; F400-A403 WeakPolarHBondContact O-CB 3.27Å; F400-A403 PolarHBondContact O-N 3.19Å; T401-A403 PolarHBondContact O-N 2.94Å; A403-M405 VanDerWaalsContact C-N 3.25Å; A403-M405 PolarHBondContact O-N 3.04Å; A403-S406 VanDerWaalsContact O-CB 3.25Å; A403-S406 WeakPolarHBondContact O-CB 3.42Å; A403-S406 PolarHBondContact O-N 3.12Å; A403-S406 PolarHBondContact O-OG 2.85Å; A403-I416 HydrophobicContact CB-CD1 4.31Å; A403-I416 HydrophobicContact CB-CG2 4.39Å
404	N	79.3	Confident	83.1	Confident	42 Å²	42	28.3 Å²	28.3	23%	0.225	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-26	173.9	-68.9	-32.3	0	0	0	112.7	G161 A162 Y182 F400 T401 S406	G161-N404 WeakPolarHBondContact CA-O 3.38Å; A162-N404 WeakPolarHBondContact CB-OD1 3.48Å; Y182-N404 PolarHBondContact OH-ND2 3.46Å; F400-N404 PolarHBondContact O-N 3.45Å; F400-N404 VanDerWaalsContact O-N 3.12Å; T401-N404 WeakPolarHBondContact O-CB 3.17Å; T401-N404 PolarHBondContact O-N 2.85Å; T401-N404 VanDerWaalsContact O-N 3.12Å; N404-S406 VanDerWaalsContact C-N 3.32Å
405	M	70.7	Confident	83.1	Confident	19 Å²	19	28.5 Å²	28.5	9%	0.094	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	15	175.8	-57.4	-167.9	75	0	0	113.4	L95 P104 A403 G407 D408	L95-M405 HydrophobicContact CD1-CE 3.5Å; P104-M405 HydrophobicContact CB-SD 4.33Å; P104-M405 HydrophobicContact CG-SD 3.9Å; A403-M405 VanDerWaalsContact C-N 3.25Å; A403-M405 PolarHBondContact O-N 3.04Å; M405-G407 PolarHBondContact O-N 2.63Å; M405-D408 PolarHBondContact O-N 2.95Å
406	S	74.8	Confident	83.1	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.9	-170.3	59.9	0	0	0	0	115.4	G161 A403 N404 D408	G161-S406 VanDerWaalsContact CA-OG 3.24Å; G161-S406 WeakPolarHBondContact CA-OG 3.45Å; G161-S406 PolarHBondContact N-OG 3.11Å; A403-S406 VanDerWaalsContact O-CB 3.25Å; A403-S406 WeakPolarHBondContact O-CB 3.42Å; A403-S406 PolarHBondContact O-N 3.12Å; A403-S406 PolarHBondContact O-OG 2.85Å; N404-S406 VanDerWaalsContact C-N 3.32Å; S406-D408 VanDerWaalsContact C-N 3.34Å
407	G	66.3	Low	83.1	Confident	17 Å²	17	28.8 Å²	28.8	18%	0.175	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17	177.9	0	0	0	0	0	115.4	A93 M405	A93-G407 WeakPolarHBondContact CB-O 2.95Å; M405-G407 PolarHBondContact O-N 2.63Å
408	D	67.9	Low	83.2	Confident	15 Å²	15	32.7 Å²	32.7	8%	0.08	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-6.5	-177.4	-63.5	-42.3	0	0	0	113.1	L78 P79 A93 G94 L95 M405 S406	L78-D408 VanDerWaalsContact CD2-OD2 3.23Å; L78-D408 WeakPolarHBondContact CD2-OD2 3.25Å; P79-D408 WeakPolarHBondContact CD-OD1 3.23Å; A93-D408 CarbonylContact C-O 3.08Å; A93-D408 VanDerWaalsContact CB-C 3.49Å; A93-D408 WeakPolarHBondContact CB-O 3.48Å; G94-D408 PolarHBondContact N-O 3.23Å; G94-D408 VanDerWaalsContact N-O 3.12Å; L95-D408 WeakPolarHBondContact CB-O 3.31Å; L95-D408 HydrophobicContact CD1-CB 3.78Å; L95-D408 PolarHBondContact N-O 3.46Å; M405-D408 PolarHBondContact O-N 2.95Å; S406-D408 VanDerWaalsContact C-N 3.34Å
409	L	76.2	Confident	83.5	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-81.4	136.3	179.2	-59.9	174.3	0	0	0	112.1	A93 L95 V101 P412 I416	A93-L409 WeakPolarHBondContact CB-O 3.36Å; L95-L409 HydrophobicContact CB-CD2 3.98Å; L95-L409 WeakPolarHBondContact O-CA 3.25Å; V101-L409 HydrophobicContact CG2-CD1 3.54Å; V101-L409 HydrophobicContact CG2-CD2 3.66Å; V101-L409 HydrophobicContact CG2-CG 4.27Å; L409-P412 HydrophobicContact CB-CB 4.04Å; L409-P412 HydrophobicContact CD1-CB 4.09Å; L409-I416 HydrophobicContact CD1-CD1 4.1Å; L409-I416 HydrophobicContact CD1-CG1 3.66Å
410	K	79	Confident	83.6	Confident	146 Å²	146	32.8 Å²	32.8	64%	0.635	16%	0.16	S	C	*	.	S	Bend	trans	-64.8	-39.4	174.9	-173.1	-160.8	169.9	-135.1	0	112.9	L95	L95-K410 PolarHBondContact O-N 3.17Å
411	E	85.1	Confident	83.9	Confident	57 Å²	57	34.1 Å²	34.1	27%	0.266	17%	0.167	S	C	.	.	S	Bend	trans	-134.2	67.2	-176.3	-73.8	166.5	-142.1	0	0	109.9	H413 R414 S415	E411-H413 VanDerWaalsContact C-N 3.3Å; E411-H413 PolarHBondContact O-N 3.37Å; E411-R414 HydrophobicContact CB-CB 4.3Å; E411-R414 PolarHBondContact O-N 2.83Å; E411-R414 WeakPolarHBondContact OE2-CD 3.38Å; E411-R414 IonicContact OE2-CZ 2.79Å; E411-R414 IonicContact OE2-NH1 3.38Å; E411-R414 PolarHBondContact OE2-NH1 3.39Å; E411-S415 WeakPolarHBondContact O-CB 3.48Å; E411-S415 PolarHBondContact O-N 3.4Å; E411-S415 PolarHBondContact O-OG 3.36Å
412	P	85	Confident	84.5	Confident	18 Å²	18	35.6 Å²	35.6	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-38.7	-168.3	22.2	-33.2	0	0	0	113.1	I157 L409 R414 S415 I416	I157-P412 HydrophobicContact CB-CB 4.24Å; I157-P412 HydrophobicContact CB-CG 4.09Å; I157-P412 HydrophobicContact CD1-CB 3.91Å; I157-P412 HydrophobicContact CD1-CG 4.42Å; I157-P412 HydrophobicContact CG2-CB 4.31Å; I157-P412 HydrophobicContact CG2-CG 4.49Å; L409-P412 HydrophobicContact CB-CB 4.04Å; L409-P412 HydrophobicContact CD1-CB 4.09Å; P412-R414 PolarHBondContact O-N 3.15Å; P412-R414 VanDerWaalsContact O-N 3.12Å; P412-S415 PolarHBondContact O-N 2.99Å; P412-I416 HydrophobicContact CB-CD1 4.29Å; P412-I416 WeakPolarHBondContact O-CB 2.99Å; P412-I416 WeakPolarHBondContact O-CG1 3.46Å; P412-I416 PolarHBondContact O-N 2.83Å
413	H	88.2	Confident	85.2	Confident	107 Å²	107	35.6 Å²	35.6	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	-61.2	-19.9	178.1	67.2	-94	0	0	0	114.4	A152 E411 P417	A152-H413 WeakPolarHBondContact O-CA 3.43Å; E411-H413 VanDerWaalsContact C-N 3.3Å; E411-H413 PolarHBondContact O-N 3.37Å; H413-P417 WeakPolarHBondContact O-CD 3.49Å; H413-P417 WeakPolarHBondContact O-CG 3.49Å
414	R	90	Very high	85.6	Confident	153 Å²	153	35.6 Å²	35.6	58%	0.577	18%	0.18	S	C	*	.	H	α-helix	trans	-107.5	-40.5	178.1	-176.4	-175.2	179.4	-165.8	2.9	111.2	E411 P412 V418	E411-R414 HydrophobicContact CB-CB 4.3Å; E411-R414 PolarHBondContact O-N 2.83Å; E411-R414 WeakPolarHBondContact OE2-CD 3.38Å; E411-R414 IonicContact OE2-CZ 2.79Å; E411-R414 IonicContact OE2-NH1 3.38Å; E411-R414 PolarHBondContact OE2-NH1 3.39Å; P412-R414 PolarHBondContact O-N 3.15Å; P412-R414 VanDerWaalsContact O-N 3.12Å; R414-V418 WeakPolarHBondContact O-CB 3.48Å; R414-V418 VanDerWaalsContact O-CG2 3.3Å; R414-V418 WeakPolarHBondContact O-CG2 3.47Å; R414-V418 PolarHBondContact O-N 2.68Å
415	S	91	Very high	86.4	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-39.8	-178.8	-69.2	0	0	0	0	112.7	T97 E411 P412 G419	T97-S415 WeakPolarHBondContact OG1-CA 3.46Å; T97-S415 WeakPolarHBondContact OG1-CB 3.37Å; T97-S415 PolarHBondContact OG1-OG 3.01Å; E411-S415 WeakPolarHBondContact O-CB 3.48Å; E411-S415 PolarHBondContact O-N 3.4Å; E411-S415 PolarHBondContact O-OG 3.36Å; P412-S415 PolarHBondContact O-N 2.99Å; S415-G419 WeakPolarHBondContact O-CA 3.23Å; S415-G419 PolarHBondContact O-N 3.33Å
416	I	91.2	Very high	87.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-54.9	-179.2	-65.5	169.1	0	0	0	111.2	V101 I148 A152 I157 M165 A403 L409 P412 V418 G419 T420	V101-I416 HydrophobicContact CG2-CG1 4.32Å; I148-I416 HydrophobicContact CG2-CG2 4.37Å; A152-I416 HydrophobicContact CB-CB 4.17Å; A152-I416 HydrophobicContact CB-CG2 3.94Å; I157-I416 HydrophobicContact CD1-CD1 4.07Å; M165-I416 HydrophobicContact SD-CD1 4.01Å; A403-I416 HydrophobicContact CB-CD1 4.31Å; A403-I416 HydrophobicContact CB-CG2 4.39Å; L409-I416 HydrophobicContact CD1-CD1 4.1Å; L409-I416 HydrophobicContact CD1-CG1 3.66Å; P412-I416 HydrophobicContact CB-CD1 4.29Å; P412-I416 WeakPolarHBondContact O-CB 2.99Å; P412-I416 WeakPolarHBondContact O-CG1 3.46Å; P412-I416 PolarHBondContact O-N 2.83Å; I416-V418 PolarHBondContact O-N 2.7Å; I416-G419 PolarHBondContact O-N 3.47Å; I416-T420 WeakPolarHBondContact O-CB 3.36Å; I416-T420 PolarHBondContact O-N 2.67Å; I416-T420 PolarHBondContact O-OG1 2.69Å
417	P	93.5	Very high	88.5	Confident	7 Å²	7	40.1 Å²	40.1	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-47.7	178.2	-26.8	35.5	0	0	0	113.6	S149 A152 T153 H413 I421 Y576	S149-P417 WeakPolarHBondContact OG-CA 3.25Å; A152-P417 HydrophobicContact CB-CG 4.4Å; T153-P417 HydrophobicContact CG2-CG 4.11Å; H413-P417 WeakPolarHBondContact O-CD 3.49Å; H413-P417 WeakPolarHBondContact O-CG 3.49Å; P417-I421 VanDerWaalsContact O-CB 3.29Å; P417-I421 WeakPolarHBondContact O-CB 3.35Å; P417-I421 VanDerWaalsContact O-CG1 3.28Å; P417-I421 WeakPolarHBondContact O-CG1 3.28Å; P417-I421 PolarHBondContact O-N 3.06Å; P417-I421 VanDerWaalsContact O-N 3.17Å; P417-Y576 HydrophobicContact CB-CD2 4.39Å; P417-Y576 HydrophobicContact CB-CE2 4.13Å
418	V	93.9	Very high	89.8	Confident	83 Å²	83	39.9 Å²	39.9	50%	0.503	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-42.8	-176.6	176.8	0	0	0	0	111.3	T97 R414 I416 A422	T97-V418 HydrophobicContact CG2-CB 4.18Å; T97-V418 HydrophobicContact CG2-CG1 4.11Å; R414-V418 WeakPolarHBondContact O-CB 3.48Å; R414-V418 VanDerWaalsContact O-CG2 3.3Å; R414-V418 WeakPolarHBondContact O-CG2 3.47Å; R414-V418 PolarHBondContact O-N 2.68Å; I416-V418 PolarHBondContact O-N 2.7Å; V418-A422 WeakPolarHBondContact O-CB 3.25Å; V418-A422 PolarHBondContact O-N 2.94Å
419	G	93.3	Very high	91.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-44.6	-177.3	0	0	0	0	0	113.2	S415 I416 A423	S415-G419 WeakPolarHBondContact O-CA 3.23Å; S415-G419 PolarHBondContact O-N 3.33Å; I416-G419 PolarHBondContact O-N 3.47Å; G419-A423 VanDerWaalsContact O-CB 3.27Å; G419-A423 WeakPolarHBondContact O-CB 3.39Å; G419-A423 PolarHBondContact O-N 3.35Å
420	T	94.1	Very high	92.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-42.9	179.3	-63	0	0	0	0	111.6	I399 I416 A423 Q424	I399-T420 HydrophobicContact CB-CG2 4.04Å; I399-T420 WeakPolarHBondContact O-CG2 3.3Å; I416-T420 WeakPolarHBondContact O-CB 3.36Å; I416-T420 PolarHBondContact O-N 2.67Å; I416-T420 PolarHBondContact O-OG1 2.69Å; T420-A423 PolarHBondContact O-N 2.86Å; T420-Q424 WeakPolarHBondContact O-CB 3.43Å; T420-Q424 PolarHBondContact O-N 2.89Å
421	I	95	Very high	92.8	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-41.6	178.6	-66.4	172.9	0	0	0	111	F142 P417 A423 Q424 M425 Y576	F142-I421 HydrophobicContact CE2-CG2 4.16Å; P417-I421 VanDerWaalsContact O-CB 3.29Å; P417-I421 WeakPolarHBondContact O-CB 3.35Å; P417-I421 VanDerWaalsContact O-CG1 3.28Å; P417-I421 WeakPolarHBondContact O-CG1 3.28Å; P417-I421 PolarHBondContact O-N 3.06Å; P417-I421 VanDerWaalsContact O-N 3.17Å; I421-A423 PolarHBondContact O-N 2.87Å; I421-Q424 PolarHBondContact O-N 3.45Å; I421-M425 HydrophobicContact CG2-CG 4.4Å; I421-M425 VanDerWaalsContact O-CG 3.31Å; I421-M425 WeakPolarHBondContact O-CG 3.28Å; I421-M425 PolarHBondContact O-N 2.95Å; I421-Y576 HydrophobicContact CD1-CE1 4.47Å; I421-Y576 WeakPolarHBondContact CD1-OH 3.49Å
422	A	95.4	Very high	93.3	Very high	40 Å²	40	38.5 Å²	38.5	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-44.1	174.7	0	0	0	0	0	111.7	Y102 V418 Q424 M425 T426	Y102-A422 HydrophobicContact CD2-CB 3.85Å; Y102-A422 HydrophobicContact CE2-CB 4.06Å; V418-A422 WeakPolarHBondContact O-CB 3.25Å; V418-A422 PolarHBondContact O-N 2.94Å; A422-Q424 PolarHBondContact O-N 2.98Å; A422-M425 PolarHBondContact O-N 3.4Å; A422-T426 PolarHBondContact O-N 3.03Å; A422-T426 PolarHBondContact O-OG1 2.99Å; A422-T426 VanDerWaalsContact O-OG1 3.13Å
423	A	94.4	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-48.4	176.8	0	0	0	0	0	111.6	Y102 T105 V106 G419 T420 I421 M425 T426 T427	Y102-A423 HydrophobicContact CD2-CB 3.94Å; Y102-A423 HydrophobicContact CE2-CB 4.35Å; T105-A423 HydrophobicContact CG2-CB 3.75Å; V106-A423 HydrophobicContact CG2-CB 3.61Å; G419-A423 VanDerWaalsContact O-CB 3.27Å; G419-A423 WeakPolarHBondContact O-CB 3.39Å; G419-A423 PolarHBondContact O-N 3.35Å; T420-A423 PolarHBondContact O-N 2.86Å; I421-A423 PolarHBondContact O-N 2.87Å; A423-M425 PolarHBondContact O-N 3.41Å; A423-T426 PolarHBondContact O-N 3Å; A423-T427 WeakPolarHBondContact O-CG2 3.25Å; A423-T427 PolarHBondContact O-N 3.43Å; A423-T427 PolarHBondContact O-OG1 3.15Å; A423-T427 VanDerWaalsContact O-OG1 3.13Å
424	Q	94.2	Very high	94.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-42.6	178.3	-174	63.9	42.4	0	0	112.3	T141 F142 I399 T420 I421 A422 T427 S428	T141-Q424 PolarHBondContact OG1-NE2 3.16Å; T141-Q424 VanDerWaalsContact OG1-NE2 3.12Å; F142-Q424 HydrophobicContact CB-CG 4.4Å; F142-Q424 HydrophobicContact CD2-CG 4.5Å; I399-Q424 VanDerWaalsContact CG2-OE1 3.27Å; T420-Q424 WeakPolarHBondContact O-CB 3.43Å; T420-Q424 PolarHBondContact O-N 2.89Å; I421-Q424 PolarHBondContact O-N 3.45Å; A422-Q424 PolarHBondContact O-N 2.98Å; Q424-T427 PolarHBondContact O-OG1 3.11Å; Q424-S428 PolarHBondContact NE2-OG 3.43Å; Q424-S428 VanDerWaalsContact NE2-OG 3.15Å; Q424-S428 WeakPolarHBondContact O-CB 3.38Å; Q424-S428 PolarHBondContact O-N 3.03Å; Q424-S428 PolarHBondContact O-OG 2.86Å
425	M	95.3	Very high	94.4	Very high	109 Å²	109	26.2 Å²	26.2	54%	0.537	15%	0.145	S	C	.	.	H	α-helix	trans	-65.4	-40.4	178.3	-71.3	-61	-60.9	0	0	111.8	F142 I421 A422 A423 F429	F142-M425 HydrophobicContact CD2-SD 4.19Å; F142-M425 HydrophobicContact CE2-SD 3.9Å; I421-M425 HydrophobicContact CG2-CG 4.4Å; I421-M425 VanDerWaalsContact O-CG 3.31Å; I421-M425 WeakPolarHBondContact O-CG 3.28Å; I421-M425 PolarHBondContact O-N 2.95Å; A422-M425 PolarHBondContact O-N 3.4Å; A423-M425 PolarHBondContact O-N 3.41Å; M425-F429 WeakPolarHBondContact O-CB 3.4Å; M425-F429 PolarHBondContact O-N 2.91Å; M425-F429 VanDerWaalsContact O-N 3.11Å
426	T	94.8	Very high	94.5	Very high	49 Å²	49	29.4 Å²	29.4	30%	0.301	16%	0.161	S	C	.	.	H	α-helix	trans	-65.5	-47.3	176.6	-60.5	0	0	0	0	112.1	Y102 A422 A423 F429 I430	Y102-T426 PolarHBondContact OH-OG1 3.24Å; A422-T426 PolarHBondContact O-N 3.03Å; A422-T426 PolarHBondContact O-OG1 2.99Å; A422-T426 VanDerWaalsContact O-OG1 3.13Å; A423-T426 PolarHBondContact O-N 3Å; T426-F429 PolarHBondContact O-N 2.98Å; T426-I430 HydrophobicContact CG2-CD1 4Å; T426-I430 WeakPolarHBondContact O-CG1 3.15Å; T426-I430 PolarHBondContact O-N 3.34Å; T426-I430 VanDerWaalsContact O-N 3.07Å
427	T	94.2	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.5	-40.1	-179	56.6	0	0	0	0	112.2	V106 I109 L110 A423 Q424 F429 I430 Y431	V106-T427 HydrophobicContact CG1-CG2 4.46Å; V106-T427 HydrophobicContact CG2-CG2 4.48Å; I109-T427 HydrophobicContact CB-CG2 3.93Å; I109-T427 HydrophobicContact CD1-CG2 4.32Å; I109-T427 HydrophobicContact CG2-CG2 3.54Å; L110-T427 HydrophobicContact CD2-CG2 3.95Å; L110-T427 HydrophobicContact CG-CG2 4.06Å; A423-T427 WeakPolarHBondContact O-CG2 3.25Å; A423-T427 PolarHBondContact O-N 3.43Å; A423-T427 PolarHBondContact O-OG1 3.15Å; A423-T427 VanDerWaalsContact O-OG1 3.13Å; Q424-T427 PolarHBondContact O-OG1 3.11Å; T427-F429 VanDerWaalsContact C-N 3.3Å; T427-F429 PolarHBondContact O-N 3.15Å; T427-I430 PolarHBondContact O-N 3.42Å; T427-I430 VanDerWaalsContact O-N 3.16Å; T427-Y431 WeakPolarHBondContact O-CD2 3.47Å; T427-Y431 PolarHBondContact O-N 3.04Å
428	S	95.1	Very high	94.7	Very high	13 Å²	13	29.7 Å²	29.7	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-40.4	174.2	-55.2	0	0	0	0	111.7	C138 Q424 L432	C138-S428 PolarHBondContact SG-OG 3.22Å; C138-S428 VanDerWaalsContact SG-OG 3.42Å; Q424-S428 PolarHBondContact NE2-OG 3.43Å; Q424-S428 VanDerWaalsContact NE2-OG 3.15Å; Q424-S428 WeakPolarHBondContact O-CB 3.38Å; Q424-S428 PolarHBondContact O-N 3.03Å; Q424-S428 PolarHBondContact O-OG 2.86Å; S428-L432 WeakPolarHBondContact O-CB 3.48Å; S428-L432 VanDerWaalsContact O-CG 3.27Å; S428-L432 WeakPolarHBondContact O-CG 3.47Å; S428-L432 PolarHBondContact O-N 3.49Å
429	F	95.8	Very high	94.6	Very high	147 Å²	147	25.7 Å²	25.7	65%	0.645	14%	0.138	S	C	*	.	H	α-helix	trans	-63.4	-45.1	173.9	177.4	-94.9	0	0	0	112.1	M425 T426 T427 S433	M425-F429 WeakPolarHBondContact O-CB 3.4Å; M425-F429 PolarHBondContact O-N 2.91Å; M425-F429 VanDerWaalsContact O-N 3.11Å; T426-F429 PolarHBondContact O-N 2.98Å; T427-F429 VanDerWaalsContact C-N 3.3Å; T427-F429 PolarHBondContact O-N 3.15Å; F429-S433 VanDerWaalsContact O-CB 3.31Å; F429-S433 WeakPolarHBondContact O-CB 3.44Å; F429-S433 PolarHBondContact O-N 3.28Å; F429-S433 PolarHBondContact O-OG 3.15Å
430	I	95	Very high	94.6	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.087	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-52.8	177.4	-68	160.9	0	0	0	110.1	L110 M114 I264 T426 T427 L432 S433 F434	L110-I430 HydrophobicContact CD2-CD1 4.35Å; M114-I430 HydrophobicContact SD-CG2 4.1Å; I264-I430 HydrophobicContact CD1-CD1 4.39Å; T426-I430 HydrophobicContact CG2-CD1 4Å; T426-I430 WeakPolarHBondContact O-CG1 3.15Å; T426-I430 PolarHBondContact O-N 3.34Å; T426-I430 VanDerWaalsContact O-N 3.07Å; T427-I430 PolarHBondContact O-N 3.42Å; T427-I430 VanDerWaalsContact O-N 3.16Å; I430-L432 PolarHBondContact O-N 3.01Å; I430-S433 PolarHBondContact O-N 2.93Å; I430-S433 PolarHBondContact O-OG 3.14Å; I430-F434 HydrophobicContact CG2-CD1 4.41Å; I430-F434 HydrophobicContact CG2-CD2 4.21Å; I430-F434 HydrophobicContact CG2-CE1 4.28Å; I430-F434 HydrophobicContact CG2-CE2 4.05Å; I430-F434 HydrophobicContact CG2-CG 4.41Å; I430-F434 HydrophobicContact CG2-CZ 4.1Å; I430-F434 WeakPolarHBondContact O-CB 3.49Å; I430-F434 PolarHBondContact O-N 2.88Å
431	Y	95.1	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-46.6	-179.1	-61.9	-47.1	0	0	0	113.5	I109 L110 M114 L118 F392 S395 V396 T427 S433 F434 V435	I109-Y431 HydrophobicContact CG2-CE2 3.93Å; I109-Y431 WeakPolarHBondContact CG2-OH 3.27Å; I109-Y431 PolarHBondContact O-OH 3.36Å; L110-Y431 HydrophobicContact CD2-CE1 4.44Å; M114-Y431 HydrophobicContact CB-CE1 3.9Å; M114-Y431 HydrophobicContact CG-CD1 4.15Å; M114-Y431 HydrophobicContact CG-CE1 3.72Å; M114-Y431 HydrophobicContact SD-CD1 4.35Å; M114-Y431 HydrophobicContact SD-CE1 3.77Å; L118-Y431 HydrophobicContact CD2-CD1 4.19Å; F392-Y431 HydrophobicContact CZ-CD2 4.4Å; F392-Y431 HydrophobicContact CZ-CG 4.23Å; S395-Y431 PolarHBondContact O-OH 3.25Å; S395-Y431 VanDerWaalsContact O-OH 3.09Å; V396-Y431 HydrophobicContact CG1-CD2 4.4Å; V396-Y431 HydrophobicContact CG1-CE2 4.33Å; T427-Y431 WeakPolarHBondContact O-CD2 3.47Å; T427-Y431 PolarHBondContact O-N 3.04Å; Y431-S433 VanDerWaalsContact C-N 3.29Å; Y431-S433 PolarHBondContact O-N 3.16Å; Y431-F434 PolarHBondContact O-N 2.69Å; Y431-V435 PolarHBondContact O-N 3.43Å; Y431-V435 VanDerWaalsContact O-N 3.11Å
432	L	95.3	Very high	94.4	Very high	31 Å²	31	24.2 Å²	24.2	16%	0.162	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-34.5	178.8	-69.1	170.8	0	0	0	111.9	F131 V134 L135 S428 I430	F131-L432 HydrophobicContact CD1-CD2 4.37Å; F131-L432 HydrophobicContact CD2-CD2 3.89Å; F131-L432 HydrophobicContact CE1-CD2 4.26Å; F131-L432 HydrophobicContact CE2-CB 3.96Å; F131-L432 HydrophobicContact CE2-CD2 3.78Å; F131-L432 HydrophobicContact CE2-CG 4.37Å; F131-L432 HydrophobicContact CG-CD2 4.19Å; F131-L432 HydrophobicContact CZ-CD2 3.97Å; V134-L432 HydrophobicContact CB-CD2 3.96Å; V134-L432 HydrophobicContact CG1-CD2 3.63Å; V134-L432 HydrophobicContact CG1-CG 3.97Å; L135-L432 HydrophobicContact CB-CD2 4.18Å; L135-L432 HydrophobicContact CD1-CD1 4.37Å; S428-L432 WeakPolarHBondContact O-CB 3.48Å; S428-L432 VanDerWaalsContact O-CG 3.27Å; S428-L432 WeakPolarHBondContact O-CG 3.47Å; S428-L432 PolarHBondContact O-N 3.49Å; I430-L432 PolarHBondContact O-N 3.01Å
433	S	95.1	Very high	94.2	Very high	20 Å²	20	25.6 Å²	25.6	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-71.1	-39	173.4	74.8	0	0	0	0	112.5	Y268 F429 I430 Y431 V435 L436 V437	Y268-S433 PolarHBondContact OH-OG 2.93Å; F429-S433 VanDerWaalsContact O-CB 3.31Å; F429-S433 WeakPolarHBondContact O-CB 3.44Å; F429-S433 PolarHBondContact O-N 3.28Å; F429-S433 PolarHBondContact O-OG 3.15Å; I430-S433 PolarHBondContact O-N 2.93Å; I430-S433 PolarHBondContact O-OG 3.14Å; Y431-S433 VanDerWaalsContact C-N 3.29Å; Y431-S433 PolarHBondContact O-N 3.16Å; S433-V435 VanDerWaalsContact C-N 3.34Å; S433-V435 PolarHBondContact O-N 2.74Å; S433-L436 PolarHBondContact O-N 3.3Å; S433-L436 VanDerWaalsContact O-N 3.1Å; S433-V437 WeakPolarHBondContact O-CG2 3.25Å; S433-V437 PolarHBondContact O-N 3.45Å
434	F	94.6	Very high	94	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-34.4	179.3	-84.2	10.3	0	0	0	112.6	M114 L118 I264 I267 Y268 I430 Y431 L436 V437 F438	M114-F434 HydrophobicContact CE-CE2 4.35Å; M114-F434 HydrophobicContact CG-CD2 3.92Å; M114-F434 HydrophobicContact CG-CE2 3.92Å; M114-F434 HydrophobicContact SD-CD2 4.15Å; M114-F434 HydrophobicContact SD-CE2 3.74Å; L118-F434 HydrophobicContact CD2-CB 3.75Å; L118-F434 HydrophobicContact CD2-CD2 4.23Å; I264-F434 HydrophobicContact CB-CZ 4.31Å; I264-F434 HydrophobicContact CG1-CE2 4.49Å; I264-F434 HydrophobicContact CG1-CZ 4.12Å; I264-F434 HydrophobicContact CG2-CE1 4.41Å; I264-F434 HydrophobicContact CG2-CZ 3.99Å; I267-F434 HydrophobicContact CB-CE1 4.35Å; I267-F434 HydrophobicContact CB-CZ 4.11Å; I267-F434 HydrophobicContact CD1-CE2 3.85Å; I267-F434 HydrophobicContact CD1-CZ 3.77Å; I267-F434 HydrophobicContact CG2-CD1 4.38Å; I267-F434 HydrophobicContact CG2-CE1 3.78Å; I267-F434 HydrophobicContact CG2-CZ 3.89Å; Y268-F434 HydrophobicContact CD1-CE1 4.18Å; Y268-F434 HydrophobicContact CD2-CE1 4.41Å; Y268-F434 AromaticContact CE1-CD1 3.9Å; Y268-F434 HydrophobicContact CE1-CD1 3.9Å; Y268-F434 AromaticContact CE1-CE1 3.67Å; Y268-F434 HydrophobicContact CE1-CE1 3.67Å; Y268-F434 AromaticContact CE2-CE1 3.95Å; Y268-F434 HydrophobicContact CE2-CE1 3.95Å; Y268-F434 AromaticContact CZ-CE1 3.55Å; I430-F434 HydrophobicContact CG2-CD1 4.41Å; I430-F434 HydrophobicContact CG2-CD2 4.21Å; I430-F434 HydrophobicContact CG2-CE1 4.28Å; I430-F434 HydrophobicContact CG2-CE2 4.05Å; I430-F434 HydrophobicContact CG2-CG 4.41Å; I430-F434 HydrophobicContact CG2-CZ 4.1Å; I430-F434 WeakPolarHBondContact O-CB 3.49Å; I430-F434 PolarHBondContact O-N 2.88Å; Y431-F434 PolarHBondContact O-N 2.69Å; F434-L436 VanDerWaalsContact C-N 3.3Å; F434-L436 PolarHBondContact O-N 3.02Å; F434-V437 PolarHBondContact O-N 3.23Å; F434-F438 HydrophobicContact CB-CD2 4.43Å; F434-F438 HydrophobicContact CB-CE2 4.01Å; F434-F438 HydrophobicContact CB-CZ 4.37Å; F434-F438 HydrophobicContact CD2-CE2 4.28Å; F434-F438 HydrophobicContact CD2-CZ 4.09Å; F434-F438 HydrophobicContact CG-CE2 4.4Å; F434-F438 HydrophobicContact CG-CZ 4.3Å; F434-F438 WeakPolarHBondContact O-CB 3.28Å; F434-F438 VanDerWaalsContact O-CD2 3.27Å; F434-F438 WeakPolarHBondContact O-CD2 3.32Å; F434-F438 VanDerWaalsContact O-CG 3.31Å; F434-F438 WeakPolarHBondContact O-CG 3.43Å; F434-F438 PolarHBondContact O-N 3.47Å
435	V	95.1	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.1	-46.8	169.5	167.5	0	0	0	0	111.4	L118 V122 I127 S130 F131 V134 Y431 S433 G439	L118-V435 HydrophobicContact CD1-CG2 4.03Å; V122-V435 HydrophobicContact CG2-CB 4.2Å; V122-V435 HydrophobicContact CG2-CG1 4.13Å; V122-V435 HydrophobicContact CG2-CG2 3.97Å; I127-V435 HydrophobicContact CG2-CG1 4.29Å; S130-V435 WeakPolarHBondContact OG-CG1 3.48Å; F131-V435 HydrophobicContact CB-CG1 4.05Å; F131-V435 HydrophobicContact CD2-CG1 4.48Å; V134-V435 HydrophobicContact CG2-CG2 3.92Å; Y431-V435 PolarHBondContact O-N 3.43Å; Y431-V435 VanDerWaalsContact O-N 3.11Å; S433-V435 VanDerWaalsContact C-N 3.34Å; S433-V435 PolarHBondContact O-N 2.74Å; V435-G439 PolarHBondContact O-N 3.28Å; V435-G439 VanDerWaalsContact O-N 3.15Å
436	L	94.4	Very high	93.5	Very high	71 Å²	71	21.7 Å²	21.7	37%	0.372	11%	0.112	S	C	.	.	H	α-helix	trans	-72.8	-35.1	179.6	-59.3	174.6	0	0	0	112.5	I127 F131 F351 S433 F434 G440	I127-L436 HydrophobicContact CG2-CD2 3.87Å; F131-L436 HydrophobicContact CD2-CD2 4.41Å; F131-L436 HydrophobicContact CD2-CG 4.47Å; F131-L436 HydrophobicContact CE2-CD1 4.39Å; F351-L436 HydrophobicContact CE1-CB 4.46Å; F351-L436 HydrophobicContact CE1-CD2 4.46Å; F351-L436 WeakPolarHBondContact CE1-O 3.38Å; F351-L436 VanDerWaalsContact CZ-O 3.31Å; F351-L436 WeakPolarHBondContact CZ-O 3.5Å; S433-L436 PolarHBondContact O-N 3.3Å; S433-L436 VanDerWaalsContact O-N 3.1Å; F434-L436 VanDerWaalsContact C-N 3.3Å; F434-L436 PolarHBondContact O-N 3.02Å; L436-G440 WeakPolarHBondContact O-CA 3.4Å; L436-G440 PolarHBondContact O-N 3.2Å
437	V	93.9	Very high	93.4	Very high	12 Å²	12	19.4 Å²	19.4	7%	0.073	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-54.2	176.1	169.9	0	0	0	0	110.7	I267 Y268 A271 F346 S433 F434 G440 T441 L464	I267-V437 HydrophobicContact CG2-CG1 4.42Å; Y268-V437 HydrophobicContact CD1-CG2 4.33Å; Y268-V437 HydrophobicContact CE1-CG2 4.37Å; A271-V437 HydrophobicContact CB-CG1 3.6Å; F346-V437 HydrophobicContact CZ-CB 4.47Å; F346-V437 HydrophobicContact CZ-CG1 4.5Å; F346-V437 HydrophobicContact CZ-CG2 4.19Å; S433-V437 WeakPolarHBondContact O-CG2 3.25Å; S433-V437 PolarHBondContact O-N 3.45Å; F434-V437 PolarHBondContact O-N 3.23Å; V437-G440 PolarHBondContact O-N 3.06Å; V437-T441 WeakPolarHBondContact O-CB 3.34Å; V437-T441 WeakPolarHBondContact O-CG2 3.38Å; V437-T441 PolarHBondContact O-N 2.94Å; V437-T441 VanDerWaalsContact O-N 3.14Å; V437-T441 PolarHBondContact O-OG1 2.8Å; V437-L464 HydrophobicContact CG1-CD2 4.28Å
438	F	93.9	Very high	93.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-47.6	-176.9	-61.3	-33.4	0	0	0	111.6	L118 F119 I267 F434 G440 T441 I442 L447 V461 L464	L118-F438 HydrophobicContact CB-CE2 4.31Å; L118-F438 HydrophobicContact CD2-CE2 4.12Å; L118-F438 HydrophobicContact CG-CD2 4.29Å; L118-F438 HydrophobicContact CG-CE2 4.03Å; F119-F438 HydrophobicContact CB-CD2 3.92Å; F119-F438 HydrophobicContact CB-CE2 4.26Å; F119-F438 HydrophobicContact CB-CG 4.22Å; I267-F438 HydrophobicContact CG2-CE1 4.1Å; F434-F438 HydrophobicContact CB-CD2 4.43Å; F434-F438 HydrophobicContact CB-CE2 4.01Å; F434-F438 HydrophobicContact CB-CZ 4.37Å; F434-F438 HydrophobicContact CD2-CE2 4.28Å; F434-F438 HydrophobicContact CD2-CZ 4.09Å; F434-F438 HydrophobicContact CG-CE2 4.4Å; F434-F438 HydrophobicContact CG-CZ 4.3Å; F434-F438 WeakPolarHBondContact O-CB 3.28Å; F434-F438 VanDerWaalsContact O-CD2 3.27Å; F434-F438 WeakPolarHBondContact O-CD2 3.32Å; F434-F438 VanDerWaalsContact O-CG 3.31Å; F434-F438 WeakPolarHBondContact O-CG 3.43Å; F434-F438 PolarHBondContact O-N 3.47Å; F438-G440 PolarHBondContact O-N 3.5Å; F438-T441 PolarHBondContact O-N 2.76Å; F438-I442 HydrophobicContact CB-CD1 4.37Å; F438-I442 HydrophobicContact CD1-CD1 4.15Å; F438-I442 PolarHBondContact O-N 2.79Å; F438-I442 VanDerWaalsContact O-N 3.15Å; F438-L447 HydrophobicContact CB-CD2 4.13Å; F438-V461 HydrophobicContact CE1-CG1 3.95Å; F438-V461 HydrophobicContact CE1-CG2 4.34Å; F438-V461 HydrophobicContact CZ-CG1 3.91Å; F438-V461 HydrophobicContact CZ-CG2 4.17Å; F438-L464 HydrophobicContact CD1-CD2 4.12Å; F438-L464 HydrophobicContact CE1-CD2 4.11Å
439	G	93.3	Very high	92.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-22.3	176.6	0	0	0	0	0	114.3	N354 V435	N354-G439 PolarHBondContact ND2-O 3.4Å; V435-G439 PolarHBondContact O-N 3.28Å; V435-G439 VanDerWaalsContact O-N 3.15Å
440	G	92.4	Very high	92.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-88.3	-16.9	177.9	0	0	0	0	0	115.6	F346 S347 F351 L436 V437 F438	F346-G440 WeakPolarHBondContact CA-O 3.35Å; S347-G440 PolarHBondContact N-O 3.46Å; S347-G440 VanDerWaalsContact N-O 3.15Å; F351-G440 VanDerWaalsContact CE2-CA 3.45Å; F351-G440 VanDerWaalsContact CZ-CA 3.5Å; L436-G440 WeakPolarHBondContact O-CA 3.4Å; L436-G440 PolarHBondContact O-N 3.2Å; V437-G440 PolarHBondContact O-N 3.06Å; F438-G440 PolarHBondContact O-N 3.5Å
441	T	92.3	Very high	92	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-123.5	-20.9	-169	55.7	0	0	0	0	115.8	A271 I343 P344 F346 V437 F438	A271-T441 HydrophobicContact CB-CG2 4.17Å; I343-T441 WeakPolarHBondContact CG2-O 3.47Å; P344-T441 WeakPolarHBondContact CD-O 3.48Å; F346-T441 HydrophobicContact CB-CG2 4.4Å; F346-T441 HydrophobicContact CD1-CG2 3.57Å; F346-T441 HydrophobicContact CD2-CG2 3.78Å; F346-T441 HydrophobicContact CE1-CG2 3.67Å; F346-T441 HydrophobicContact CE2-CG2 3.88Å; F346-T441 HydrophobicContact CG-CG2 3.63Å; F346-T441 HydrophobicContact CZ-CG2 3.82Å; V437-T441 WeakPolarHBondContact O-CB 3.34Å; V437-T441 WeakPolarHBondContact O-CG2 3.38Å; V437-T441 PolarHBondContact O-N 2.94Å; V437-T441 VanDerWaalsContact O-N 3.14Å; V437-T441 PolarHBondContact O-OG1 2.8Å; F438-T441 PolarHBondContact O-N 2.76Å
442	I	92	Very high	91.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-115.6	139.7	-174.5	-53.4	169.2	0	0	0	109.1	I343 N354 F438 L446 L447 V460	I343-I442 HydrophobicContact CG1-CG1 4.28Å; I343-I442 HydrophobicContact CG1-CG2 4.45Å; I343-I442 HydrophobicContact CG2-CG1 4.18Å; N354-I442 PolarHBondContact ND2-O 3.11Å; F438-I442 HydrophobicContact CB-CD1 4.37Å; F438-I442 HydrophobicContact CD1-CD1 4.15Å; F438-I442 PolarHBondContact O-N 2.79Å; F438-I442 VanDerWaalsContact O-N 3.15Å; I442-L446 HydrophobicContact CG2-CB 4.06Å; I442-L446 HydrophobicContact CG2-CD2 4.01Å; I442-L446 HydrophobicContact CG2-CG 4.02Å; I442-L447 HydrophobicContact CB-CD1 4.46Å; I442-L447 HydrophobicContact CB-CD2 3.74Å; I442-L447 HydrophobicContact CB-CG 3.88Å; I442-L447 HydrophobicContact CD1-CD2 3.8Å; I442-L447 HydrophobicContact CG1-CD2 4.34Å; I442-L447 HydrophobicContact CG2-CD2 3.81Å; I442-L447 HydrophobicContact CG2-CG 3.78Å; I442-V460 HydrophobicContact CD1-CG1 4.27Å; I442-V460 HydrophobicContact CG2-CG1 4.27Å
443	R	91.7	Very high	90.9	Very high	69 Å²	69	15.4 Å²	15.4	26%	0.26	8%	0.076	S	C	.	.			trans	-66.1	142.9	175	-80.7	-168.6	164.1	109.4	9.3	112.2	A341 G342 L350 A445 L446 L447	A341-R443 PolarHBondContact O-NH1 3.48Å; G342-R443 PolarHBondContact O-N 2.99Å; G342-R443 VanDerWaalsContact O-N 3.09Å; L350-R443 HydrophobicContact CD2-CG 3.71Å; R443-A445 VanDerWaalsContact C-N 3.27Å; R443-A445 PolarHBondContact O-N 3.08Å; R443-L446 PolarHBondContact O-N 2.95Å; R443-L447 PolarHBondContact O-N 3.03Å
444	G	89.8	Confident	90.4	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-34	-174.8	0	0	0	0	0	114.2	N354 L446 L447 R448	N354-G444 WeakPolarHBondContact OD1-CA 3.49Å; N354-G444 PolarHBondContact OD1-N 3.21Å; N354-G444 VanDerWaalsContact OD1-N 3.09Å; G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 3.48Å; G444-L447 PolarHBondContact O-N 2.87Å; G444-R448 WeakPolarHBondContact O-CD 3.26Å; G444-R448 VanDerWaalsContact O-CG 3.31Å; G444-R448 WeakPolarHBondContact O-CG 3.17Å; G444-R448 PolarHBondContact O-N 3.38Å
445	A	89.1	Confident	89.8	Confident	25 Å²	25	15.3 Å²	15.3	21%	0.207	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-43	172.6	0	0	0	0	0	112.4	M284 L289 R443 R448	M284-A445 HydrophobicContact CE-CB 3.95Å; M284-A445 HydrophobicContact SD-CB 4.12Å; L289-A445 HydrophobicContact CB-CB 4.45Å; L289-A445 WeakPolarHBondContact CD2-O 3.42Å; R443-A445 VanDerWaalsContact C-N 3.27Å; R443-A445 PolarHBondContact O-N 3.08Å; A445-R448 PolarHBondContact O-N 3.32Å
446	L	91.4	Very high	88.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-77.7	-31.5	179.3	-179.5	59.3	0	0	0	112.4	I282 I343 I442 R443 G444 R448 D449 L455 V460	I282-L446 HydrophobicContact CD1-CB 4.41Å; I282-L446 HydrophobicContact CG2-CD1 4.49Å; I282-L446 HydrophobicContact CG2-CD2 4.48Å; I343-L446 HydrophobicContact CG1-CD2 4.1Å; I442-L446 HydrophobicContact CG2-CB 4.06Å; I442-L446 HydrophobicContact CG2-CD2 4.01Å; I442-L446 HydrophobicContact CG2-CG 4.02Å; R443-L446 PolarHBondContact O-N 2.95Å; G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 3.48Å; L446-R448 PolarHBondContact O-N 3.27Å; L446-D449 HydrophobicContact CD1-CB 4.26Å; L446-D449 WeakPolarHBondContact O-CB 3.33Å; L446-D449 PolarHBondContact O-N 3.07Å; L446-D449 VanDerWaalsContact O-N 3.14Å; L446-L455 HydrophobicContact CD1-CD1 3.67Å; L446-L455 HydrophobicContact CD1-CG 4.26Å; L446-L455 HydrophobicContact CD2-CD1 3.83Å; L446-L455 HydrophobicContact CG-CD1 4.42Å; L446-V460 HydrophobicContact CD1-CG1 4.34Å; L446-V460 HydrophobicContact CD1-CG2 3.94Å; L446-V460 HydrophobicContact CD2-CG1 4.26Å; L446-V460 HydrophobicContact CG-CG1 3.9Å; L446-V460 HydrophobicContact CG-CG2 4.37Å
447	L	91.5	Very high	88.1	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-29.7	170.4	-72.2	173.5	0	0	0	112.3	F119 W120 V122 G123 F438 I442 R443 G444	F119-L447 HydrophobicContact CB-CD2 4.08Å; F119-L447 HydrophobicContact CD2-CD2 4.49Å; W120-L447 WeakPolarHBondContact CA-O 3.3Å; V122-L447 HydrophobicContact CG1-CD1 4.31Å; G123-L447 VanDerWaalsContact CA-CB 3.48Å; F438-L447 HydrophobicContact CB-CD2 4.13Å; I442-L447 HydrophobicContact CB-CD1 4.46Å; I442-L447 HydrophobicContact CB-CD2 3.74Å; I442-L447 HydrophobicContact CB-CG 3.88Å; I442-L447 HydrophobicContact CD1-CD2 3.8Å; I442-L447 HydrophobicContact CG1-CD2 4.34Å; I442-L447 HydrophobicContact CG2-CD2 3.81Å; I442-L447 HydrophobicContact CG2-CG 3.78Å; R443-L447 PolarHBondContact O-N 3.03Å; G444-L447 PolarHBondContact O-N 2.87Å
448	R	90.6	Very high	87.6	Confident	40 Å²	40	20.4 Å²	20.4	15%	0.151	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.6	177.5	-68	166.1	-162.2	173.7	6.4	113.5	G123 I124 S358 Q379 G444 A445 L446 K450	G123-R448 WeakPolarHBondContact O-CG 3.43Å; G123-R448 PolarHBondContact O-NE 3.32Å; G123-R448 PolarHBondContact O-NH2 3.21Å; I124-R448 HydrophobicContact CG1-CG 4.21Å; S358-R448 PolarHBondContact OG-NH2 3.38Å; Q379-R448 PolarHBondContact NE2-O 2.91Å; G444-R448 WeakPolarHBondContact O-CD 3.26Å; G444-R448 VanDerWaalsContact O-CG 3.31Å; G444-R448 WeakPolarHBondContact O-CG 3.17Å; G444-R448 PolarHBondContact O-N 3.38Å; A445-R448 PolarHBondContact O-N 3.32Å; L446-R448 PolarHBondContact O-N 3.27Å; R448-K450 PolarHBondContact O-N 3.25Å; R448-K450 VanDerWaalsContact O-N 3.08Å
449	D	88.4	Confident	87.3	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.097	C	C	.	.			trans	-79.5	89.1	176.1	-171.9	-9.3	0	0	0	110.6	L289 V377 L446 Y451 G452 E453 S454	L289-D449 HydrophobicContact CD2-CB 4.02Å; V377-D449 HydrophobicContact CG1-CB 4.13Å; L446-D449 HydrophobicContact CD1-CB 4.26Å; L446-D449 WeakPolarHBondContact O-CB 3.33Å; L446-D449 PolarHBondContact O-N 3.07Å; L446-D449 VanDerWaalsContact O-N 3.14Å; D449-Y451 PolarHBondContact O-N 3.36Å; D449-Y451 PolarHBondContact OD1-N 3.49Å; D449-G452 VanDerWaalsContact CG-CA 3.48Å; D449-G452 PolarHBondContact O-N 3.17Å; D449-G452 VanDerWaalsContact OD1-CA 3.32Å; D449-G452 WeakPolarHBondContact OD1-CA 2.87Å; D449-G452 PolarHBondContact OD1-N 2.95Å; D449-G452 VanDerWaalsContact OD2-C 3.23Å; D449-G452 WeakPolarHBondContact OD2-CA 3.42Å; D449-E453 VanDerWaalsContact CG-N 3.33Å; D449-E453 PolarHBondContact OD1-N 3Å; D449-E453 PolarHBondContact OD2-N 3.37Å; D449-S454 VanDerWaalsContact OD2-CB 3.29Å; D449-S454 WeakPolarHBondContact OD2-CB 3.44Å; D449-S454 PolarHBondContact OD2-N 3.2Å; D449-S454 PolarHBondContact OD2-OG 3.38Å
450	K	87.2	Confident	87	Confident	7 Å²	7	20.5 Å²	20.5	3%	0.03	10%	0.098	C	C	.	.	S	Bend	trans	-56.4	-33.2	-174.8	-170.8	178	177.2	-175.4	0	114.2	R117 W120 D380 R448 D540	R117-K450 VanDerWaalsContact NE-CE 3.3Å; W120-K450 HydrophobicContact CD2-CD 4.47Å; W120-K450 HydrophobicContact CD2-CG 4.41Å; W120-K450 HydrophobicContact CG-CB 4.3Å; W120-K450 HydrophobicContact CG-CG 4.23Å; W120-K450 HydrophobicContact CZ2-CD 4.38Å; D380-K450 WeakPolarHBondContact OD1-CD 3.34Å; D380-K450 IonicContact OD1-NZ 3.98Å; D380-K450 PolarHBondContact OD1-NZ 2.94Å; D380-K450 IonicContact OD2-NZ 2.72Å; D380-K450 PolarHBondContact OD2-NZ 3.35Å; R448-K450 PolarHBondContact O-N 3.25Å; R448-K450 VanDerWaalsContact O-N 3.08Å; K450-D540 WeakPolarHBondContact CE-OD2 3.49Å; K450-D540 IonicContact NZ-OD1 3.39Å; K450-D540 IonicContact NZ-OD2 2.78Å; K450-D540 PolarHBondContact NZ-OD2 2.92Å
451	Y	85.5	Confident	86.9	Confident	38 Å²	38	20.5 Å²	20.5	15%	0.149	10%	0.098	C	C	.	.	S	Bend	trans	-115.6	-4	-173.6	-57.8	-67.9	0	0	0	113.8	D380 D449	D380-Y451 WeakPolarHBondContact OD2-CE2 3.08Å; D380-Y451 PolarHBondContact OD2-OH 2.89Å; D449-Y451 PolarHBondContact O-N 3.36Å; D449-Y451 PolarHBondContact OD1-N 3.49Å
452	G	84.9	Confident	86.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.098	C	C	.	.			trans	73.6	29.8	-175.9	0	0	0	0	0	113.7	D449 S454 L455 N457	D449-G452 VanDerWaalsContact CG-CA 3.48Å; D449-G452 PolarHBondContact O-N 3.17Å; D449-G452 VanDerWaalsContact OD1-CA 3.32Å; D449-G452 WeakPolarHBondContact OD1-CA 2.87Å; D449-G452 PolarHBondContact OD1-N 2.95Å; D449-G452 VanDerWaalsContact OD2-C 3.23Å; D449-G452 WeakPolarHBondContact OD2-CA 3.42Å; G452-S454 PolarHBondContact O-N 3.07Å; G452-L455 CarbonylContact O-C 3.56Å; G452-L455 WeakPolarHBondContact O-CA 3.43Å; G452-L455 PolarHBondContact O-N 3.07Å; G452-N457 WeakPolarHBondContact O-CA 3.09Å; G452-N457 PolarHBondContact O-N 2.98Å
453	E	82.6	Confident	86.5	Confident	39 Å²	39	22.8 Å²	22.8	18%	0.182	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.4	-177.9	-62.7	-168.3	108.8	0	0	113.5	K291 Q292 V377 D449 L455	K291-E453 HydrophobicContact CD-CB 4.33Å; K291-E453 VanDerWaalsContact CE-CD 3.49Å; K291-E453 WeakPolarHBondContact CE-OE2 3.49Å; K291-E453 HydrophobicContact CG-CB 4.22Å; K291-E453 IonicContact NZ-OE1 3.66Å; K291-E453 PolarHBondContact NZ-OE1 3.1Å; K291-E453 IonicContact NZ-OE2 2.74Å; K291-E453 PolarHBondContact NZ-OE2 3.21Å; Q292-E453 PolarHBondContact N-O 2.66Å; V377-E453 HydrophobicContact CG2-CB 4.35Å; D449-E453 VanDerWaalsContact CG-N 3.33Å; D449-E453 PolarHBondContact OD1-N 3Å; D449-E453 PolarHBondContact OD2-N 3.37Å; E453-L455 VanDerWaalsContact C-N 3.31Å
454	S	84.1	Confident	86.4	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.7	172.7	60	0	0	0	0	114.4	L290 D449 G452	L290-S454 WeakPolarHBondContact O-CB 3.29Å; D449-S454 VanDerWaalsContact OD2-CB 3.29Å; D449-S454 WeakPolarHBondContact OD2-CB 3.44Å; D449-S454 PolarHBondContact OD2-N 3.2Å; D449-S454 PolarHBondContact OD2-OG 3.38Å; G452-S454 PolarHBondContact O-N 3.07Å
455	L	82.3	Confident	86.3	Confident	14 Å²	14	19.9 Å²	19.9	7%	0.073	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	51.6	-172.4	-66.9	-179.7	0	0	0	111.6	P280 I282 L446 G452 E453 N457 N458 L463	P280-L455 HydrophobicContact CB-CD1 4.13Å; P280-L455 HydrophobicContact CB-CD2 3.93Å; P280-L455 HydrophobicContact CG-CD1 4.03Å; I282-L455 HydrophobicContact CG2-CD1 4.27Å; I282-L455 HydrophobicContact CG2-CD2 3.65Å; I282-L455 HydrophobicContact CG2-CG 3.99Å; L446-L455 HydrophobicContact CD1-CD1 3.67Å; L446-L455 HydrophobicContact CD1-CG 4.26Å; L446-L455 HydrophobicContact CD2-CD1 3.83Å; L446-L455 HydrophobicContact CG-CD1 4.42Å; G452-L455 CarbonylContact O-C 3.56Å; G452-L455 WeakPolarHBondContact O-CA 3.43Å; G452-L455 PolarHBondContact O-N 3.07Å; E453-L455 VanDerWaalsContact C-N 3.31Å; L455-N457 PolarHBondContact O-N 2.74Å; L455-N458 VanDerWaalsContact O-CB 3.29Å; L455-N458 WeakPolarHBondContact O-CB 3.46Å; L455-N458 PolarHBondContact O-N 3.38Å; L455-N458 PolarHBondContact O-ND2 3.41Å; L455-L463 HydrophobicContact CB-CD1 4.33Å; L455-L463 HydrophobicContact CD1-CD1 3.5Å
456	E	76.1	Confident	86.3	Confident	122 Å²	122	25 Å²	25	57%	0.57	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	18	-178.7	-53.6	-172.2	156.9	0	0	115.7	Q292	Q292-E456 VanDerWaalsContact CD-CG 3.45Å; Q292-E456 PolarHBondContact NE2-OE1 2.91Å
457	N	76.4	Confident	86.2	Confident	37 Å²	37	29.3 Å²	29.3	20%	0.198	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	38	-166.9	-35.3	-88.1	0	0	0	112.6	Y204 R218 G452 L455	Y204-N457 WeakPolarHBondContact CD1-O 3.33Å; Y204-N457 WeakPolarHBondContact CE1-O 3.33Å; R218-N457 PolarHBondContact NH1-OD1 2.8Å; R218-N457 VanDerWaalsContact NH2-CG 3.25Å; R218-N457 PolarHBondContact NH2-ND2 2.86Å; R218-N457 PolarHBondContact NH2-OD1 2.81Å; G452-N457 WeakPolarHBondContact O-CA 3.09Å; G452-N457 PolarHBondContact O-N 2.98Å; L455-N457 PolarHBondContact O-N 2.74Å
458	N	84.2	Confident	86.1	Confident	31 Å²	31	31.5 Å²	31.5	17%	0.166	16%	0.158	C	C	.	.			trans	-81.7	129.3	164.5	-74.1	-87	0	0	0	109.7	L455 V460 L463 K469	L455-N458 VanDerWaalsContact O-CB 3.29Å; L455-N458 WeakPolarHBondContact O-CB 3.46Å; L455-N458 PolarHBondContact O-N 3.38Å; L455-N458 PolarHBondContact O-ND2 3.41Å; N458-V460 PolarHBondContact O-N 3.38Å; N458-V460 VanDerWaalsContact O-N 3.12Å; N458-L463 HydrophobicContact CB-CD1 3.93Å; N458-L463 HydrophobicContact CB-CD2 3.94Å; N458-L463 HydrophobicContact CB-CG 4.08Å; N458-K469 PolarHBondContact OD1-NZ 2.97Å
459	M	86.6	Confident	86	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.165	C	C	.	.			trans	-52.7	116.8	172.6	-176.8	179	-170.6	0	0	111.1	F115 L116 Y204 V461 A462 L463 L473	F115-M459 VanDerWaalsContact C-CE 3.45Å; F115-M459 HydrophobicContact CB-CE 3.61Å; F115-M459 WeakPolarHBondContact O-CE 3.34Å; L116-M459 HydrophobicContact CD2-CE 3.93Å; Y204-M459 HydrophobicContact CD1-CB 3.87Å; Y204-M459 HydrophobicContact CD2-CB 3.73Å; Y204-M459 HydrophobicContact CD2-CG 4.13Å; Y204-M459 HydrophobicContact CD2-SD 4.02Å; Y204-M459 HydrophobicContact CE1-CB 3.85Å; Y204-M459 HydrophobicContact CE2-CB 3.74Å; Y204-M459 HydrophobicContact CE2-CG 3.88Å; Y204-M459 HydrophobicContact CE2-SD 4.12Å; Y204-M459 HydrophobicContact CG-CB 3.81Å; M459-V461 VanDerWaalsContact C-N 3.31Å; M459-V461 PolarHBondContact O-N 3.43Å; M459-A462 HydrophobicContact CB-CB 3.81Å; M459-A462 HydrophobicContact CG-CB 4.12Å; M459-A462 WeakPolarHBondContact O-CA 3.35Å; M459-A462 VanDerWaalsContact O-CB 3.31Å; M459-A462 WeakPolarHBondContact O-CB 3.21Å; M459-A462 PolarHBondContact O-N 2.86Å; M459-A462 HydrophobicContact SD-CB 4.23Å; M459-L463 PolarHBondContact O-N 3.29Å; M459-L473 HydrophobicContact CB-CD2 4.12Å; M459-L473 HydrophobicContact SD-CD2 4Å
460	V	88.3	Confident	86.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-53.3	-46.4	-173.2	-178.8	0	0	0	0	112	F119 I442 L446 N458 A462 L463	F119-V460 HydrophobicContact CD2-CB 4.12Å; F119-V460 HydrophobicContact CD2-CG1 4.3Å; F119-V460 HydrophobicContact CE2-CB 3.84Å; F119-V460 HydrophobicContact CE2-CG1 4.43Å; F119-V460 HydrophobicContact CE2-CG2 3.86Å; F119-V460 HydrophobicContact CZ-CB 4.29Å; F119-V460 HydrophobicContact CZ-CG2 4.36Å; I442-V460 HydrophobicContact CD1-CG1 4.27Å; I442-V460 HydrophobicContact CG2-CG1 4.27Å; L446-V460 HydrophobicContact CD1-CG1 4.34Å; L446-V460 HydrophobicContact CD1-CG2 3.94Å; L446-V460 HydrophobicContact CD2-CG1 4.26Å; L446-V460 HydrophobicContact CG-CG1 3.9Å; L446-V460 HydrophobicContact CG-CG2 4.37Å; N458-V460 PolarHBondContact O-N 3.38Å; N458-V460 VanDerWaalsContact O-N 3.12Å; V460-A462 VanDerWaalsContact C-N 3.3Å; V460-A462 PolarHBondContact O-N 3.05Å; V460-L463 PolarHBondContact O-N 3.45Å
461	V	90	Very high	86.3	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-33.5	177.7	-173.8	0	0	0	0	111.9	F119 I267 F438 M459 L463 L464 L472	F119-V461 HydrophobicContact CB-CG2 3.84Å; F119-V461 HydrophobicContact CD1-CG2 3.34Å; F119-V461 HydrophobicContact CE1-CG2 4.06Å; F119-V461 HydrophobicContact CG-CG2 3.69Å; I267-V461 HydrophobicContact CD1-CG1 3.84Å; I267-V461 HydrophobicContact CG1-CG1 4.21Å; F438-V461 HydrophobicContact CE1-CG1 3.95Å; F438-V461 HydrophobicContact CE1-CG2 4.34Å; F438-V461 HydrophobicContact CZ-CG1 3.91Å; F438-V461 HydrophobicContact CZ-CG2 4.17Å; M459-V461 VanDerWaalsContact C-N 3.31Å; M459-V461 PolarHBondContact O-N 3.43Å; V461-L463 VanDerWaalsContact C-N 3.28Å; V461-L463 PolarHBondContact O-N 3.44Å; V461-L464 WeakPolarHBondContact O-CB 3.49Å; V461-L464 PolarHBondContact O-N 3.14Å; V461-L464 VanDerWaalsContact O-N 3.16Å; V461-L472 HydrophobicContact CG1-CD2 4.2Å; V461-L472 WeakPolarHBondContact O-CD2 3.22Å
462	A	89.1	Confident	86.6	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-30.5	178.7	0	0	0	0	0	112.4	M459 V460 L464 G465 K469 L472 L473	M459-A462 HydrophobicContact CB-CB 3.81Å; M459-A462 HydrophobicContact CG-CB 4.12Å; M459-A462 WeakPolarHBondContact O-CA 3.35Å; M459-A462 VanDerWaalsContact O-CB 3.31Å; M459-A462 WeakPolarHBondContact O-CB 3.21Å; M459-A462 PolarHBondContact O-N 2.86Å; M459-A462 HydrophobicContact SD-CB 4.23Å; V460-A462 VanDerWaalsContact C-N 3.3Å; V460-A462 PolarHBondContact O-N 3.05Å; A462-L464 PolarHBondContact O-N 2.92Å; A462-G465 PolarHBondContact O-N 3.41Å; A462-K469 HydrophobicContact CB-CB 4.13Å; A462-K469 WeakPolarHBondContact O-CA 3.31Å; A462-K469 WeakPolarHBondContact O-CB 3.45Å; A462-L472 HydrophobicContact CB-CB 4.15Å; A462-L473 HydrophobicContact CB-CD2 3.91Å; A462-L473 HydrophobicContact CB-CG 4.09Å
463	L	87.8	Confident	86.9	Confident	46 Å²	46	39.4 Å²	39.4	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-69.8	-20.4	175.9	-61.1	176.5	0	0	0	113.2	P280 I343 L455 N458 M459 V460 V461 G465 K469	P280-L463 HydrophobicContact CB-CD1 4.4Å; P280-L463 HydrophobicContact CG-CD1 4.12Å; I343-L463 HydrophobicContact CD1-CB 3.94Å; L455-L463 HydrophobicContact CB-CD1 4.33Å; L455-L463 HydrophobicContact CD1-CD1 3.5Å; N458-L463 HydrophobicContact CB-CD1 3.93Å; N458-L463 HydrophobicContact CB-CD2 3.94Å; N458-L463 HydrophobicContact CB-CG 4.08Å; M459-L463 PolarHBondContact O-N 3.29Å; V460-L463 PolarHBondContact O-N 3.45Å; V461-L463 VanDerWaalsContact C-N 3.28Å; V461-L463 PolarHBondContact O-N 3.44Å; L463-G465 VanDerWaalsContact C-N 3.27Å; L463-K469 HydrophobicContact CD2-CD 4.05Å
464	L	88.8	Confident	87.2	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.1	169.5	-165.5	64.4	0	0	0	112.5	I267 G270 I343 V437 F438 V461 A462 W466	I267-L464 HydrophobicContact CG2-CD2 4.22Å; G270-L464 WeakPolarHBondContact CA-O 3.11Å; I343-L464 HydrophobicContact CG2-CD1 3.83Å; V437-L464 HydrophobicContact CG1-CD2 4.28Å; F438-L464 HydrophobicContact CD1-CD2 4.12Å; F438-L464 HydrophobicContact CE1-CD2 4.11Å; V461-L464 WeakPolarHBondContact O-CB 3.49Å; V461-L464 PolarHBondContact O-N 3.14Å; V461-L464 VanDerWaalsContact O-N 3.16Å; A462-L464 PolarHBondContact O-N 2.92Å; L464-W466 PolarHBondContact O-N 2.64Å
465	G	87.9	Confident	87.5	Confident	8 Å²	8	41.8 Å²	41.8	8%	0.082	21%	0.206	C	C	.	.			trans	-79.6	102.9	-173.6	0	0	0	0	0	114.6	S266 A462 L463 S468 K469	S266-G465 WeakPolarHBondContact OG-CA 3.43Å; A462-G465 PolarHBondContact O-N 3.41Å; L463-G465 VanDerWaalsContact C-N 3.27Å; G465-S468 CarbonylContact O-C 3.38Å; G465-S468 WeakPolarHBondContact O-CA 3.47Å; G465-S468 PolarHBondContact O-N 3.22Å; G465-S468 VanDerWaalsContact O-N 3.07Å; G465-K469 PolarHBondContact O-N 3.31Å
466	W	88.9	Confident	87.9	Confident	134 Å²	134	41.2 Å²	41.2	51%	0.508	20%	0.203	S	C	.	.	S	Bend	trans	-90.5	139.2	172.9	-173.4	92.7	0	0	0	112.2	S266 V269 V273 L464	S266-W466 WeakPolarHBondContact CB-O 3.44Å; S266-W466 PolarHBondContact O-N 2.92Å; S266-W466 PolarHBondContact OG-N 3.37Å; S266-W466 PolarHBondContact OG-O 3.16Å; V269-W466 HydrophobicContact CB-CE3 4.4Å; V269-W466 HydrophobicContact CG1-CB 4.46Å; V269-W466 HydrophobicContact CG1-CD2 3.97Å; V269-W466 HydrophobicContact CG1-CE3 3.47Å; V269-W466 VanDerWaalsContact CG1-CE3 3.47Å; V269-W466 HydrophobicContact CG1-CG 4.39Å; V269-W466 HydrophobicContact CG1-CZ3 4.06Å; V273-W466 HydrophobicContact CG1-CG 4.39Å; L464-W466 PolarHBondContact O-N 2.64Å
467	P	88.6	Confident	88.6	Confident	89 Å²	89	37.6 Å²	37.6	58%	0.578	19%	0.186	S	C	*	.	S	Bend	cis	-84.4	-1.6	-0.3	34.1	-39.1	0	0	0	115.3	I471	P467-I471 HydrophobicContact CG-CD1 4.05Å
468	S	89.9	Confident	89.2	Confident	46 Å²	46	37.6 Å²	37.6	32%	0.322	19%	0.187	S	C	.	.			trans	-156.7	137.7	178.4	-168.7	0	0	0	0	113.5	G465 W470 I471	G465-S468 CarbonylContact O-C 3.38Å; G465-S468 WeakPolarHBondContact O-CA 3.47Å; G465-S468 PolarHBondContact O-N 3.22Å; G465-S468 VanDerWaalsContact O-N 3.07Å; S468-W470 PolarHBondContact O-N 3.13Å; S468-I471 WeakPolarHBondContact O-CB 3.34Å; S468-I471 PolarHBondContact O-N 2.85Å
469	K	88.5	Confident	89.4	Confident	70 Å²	70	36.3 Å²	36.3	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-51.6	-29.8	175.3	69.7	-179.7	-176.4	-179.6	0	114.3	N458 A462 L463 G465 I471 L472 L473	N458-K469 PolarHBondContact OD1-NZ 2.97Å; A462-K469 HydrophobicContact CB-CB 4.13Å; A462-K469 WeakPolarHBondContact O-CA 3.31Å; A462-K469 WeakPolarHBondContact O-CB 3.45Å; L463-K469 HydrophobicContact CD2-CD 4.05Å; G465-K469 PolarHBondContact O-N 3.31Å; K469-I471 PolarHBondContact O-N 3.22Å; K469-L472 PolarHBondContact O-N 2.88Å; K469-L472 VanDerWaalsContact O-N 3.16Å; K469-L473 WeakPolarHBondContact O-CG 3.47Å; K469-L473 PolarHBondContact O-N 3.19Å; K469-L473 VanDerWaalsContact O-N 3.11Å
470	W	90.1	Very high	89.5	Confident	123 Å²	123	36.4 Å²	36.4	47%	0.466	18%	0.181	S	C	.	.	H	α-helix	trans	-60.3	-28	177.7	-69.7	117.1	0	0	0	113.9	L205 S468 L472 L473 I474	L205-W470 HydrophobicContact CD1-CZ3 3.75Å; S468-W470 PolarHBondContact O-N 3.13Å; W470-L472 VanDerWaalsContact C-N 3.33Å; W470-L472 PolarHBondContact O-N 2.84Å; W470-L473 HydrophobicContact CD2-CD1 4.43Å; W470-L473 HydrophobicContact CE3-CB 4.32Å; W470-L473 HydrophobicContact CE3-CD1 3.72Å; W470-L473 HydrophobicContact CZ3-CD1 3.8Å; W470-L473 PolarHBondContact O-N 3.46Å; W470-I474 WeakPolarHBondContact O-CB 3.34Å; W470-I474 VanDerWaalsContact O-CG1 3.3Å; W470-I474 WeakPolarHBondContact O-CG1 3.44Å; W470-I474 PolarHBondContact O-N 3.25Å
471	I	91.9	Very high	89.5	Confident	54 Å²	54	38.6 Å²	38.6	28%	0.277	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-43.6	177.2	-61.8	170.1	0	0	0	110	S263 P467 S468 K469 G475	S263-I471 PolarHBondContact OG-O 2.96Å; P467-I471 HydrophobicContact CG-CD1 4.05Å; S468-I471 WeakPolarHBondContact O-CB 3.34Å; S468-I471 PolarHBondContact O-N 2.85Å; K469-I471 PolarHBondContact O-N 3.22Å; I471-G475 WeakPolarHBondContact O-CA 3.27Å; I471-G475 PolarHBondContact O-N 3.49Å
472	L	91.6	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-75.6	-36.1	179.6	-85.2	58	0	0	0	112	S266 I267 V461 A462 K469 W470 S476	S266-L472 VanDerWaalsContact OG-CD1 3.26Å; S266-L472 WeakPolarHBondContact OG-CD1 3.5Å; I267-L472 HydrophobicContact CD1-CD2 4.25Å; I267-L472 HydrophobicContact CG1-CD2 3.7Å; I267-L472 HydrophobicContact CG1-CG 4.31Å; V461-L472 HydrophobicContact CG1-CD2 4.2Å; V461-L472 WeakPolarHBondContact O-CD2 3.22Å; A462-L472 HydrophobicContact CB-CB 4.15Å; K469-L472 PolarHBondContact O-N 2.88Å; K469-L472 VanDerWaalsContact O-N 3.16Å; W470-L472 VanDerWaalsContact C-N 3.33Å; W470-L472 PolarHBondContact O-N 2.84Å; L472-S476 VanDerWaalsContact O-CB 3.23Å; L472-S476 WeakPolarHBondContact O-CB 3.36Å; L472-S476 PolarHBondContact O-N 3.45Å; L472-S476 PolarHBondContact O-OG 3.42Å
473	L	90.6	Very high	89.3	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-47.5	175.6	-65.2	178.1	0	0	0	111.6	Y204 M459 A462 K469 W470 S476 F477	Y204-L473 HydrophobicContact CD2-CD2 4.46Å; Y204-L473 HydrophobicContact CG-CD2 4.25Å; M459-L473 HydrophobicContact CB-CD2 4.12Å; M459-L473 HydrophobicContact SD-CD2 4Å; A462-L473 HydrophobicContact CB-CD2 3.91Å; A462-L473 HydrophobicContact CB-CG 4.09Å; K469-L473 WeakPolarHBondContact O-CG 3.47Å; K469-L473 PolarHBondContact O-N 3.19Å; K469-L473 VanDerWaalsContact O-N 3.11Å; W470-L473 HydrophobicContact CD2-CD1 4.43Å; W470-L473 HydrophobicContact CE3-CB 4.32Å; W470-L473 HydrophobicContact CE3-CD1 3.72Å; W470-L473 HydrophobicContact CZ3-CD1 3.8Å; W470-L473 PolarHBondContact O-N 3.46Å; L473-S476 PolarHBondContact O-OG 2.83Å; L473-F477 WeakPolarHBondContact O-CB 3.32Å; L473-F477 PolarHBondContact O-N 3.45Å; L473-F477 VanDerWaalsContact O-N 3.17Å
474	I	90.2	Very high	89.4	Confident	91 Å²	91	36.7 Å²	36.7	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-69.3	-41.1	176.8	-64.2	168	0	0	0	110.5	W470 T478	W470-I474 WeakPolarHBondContact O-CB 3.34Å; W470-I474 VanDerWaalsContact O-CG1 3.3Å; W470-I474 WeakPolarHBondContact O-CG1 3.44Å; W470-I474 PolarHBondContact O-N 3.25Å; I474-T478 HydrophobicContact CG2-CG2 4.31Å; I474-T478 WeakPolarHBondContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CG2 3.3Å; I474-T478 PolarHBondContact O-N 2.9Å; I474-T478 PolarHBondContact O-OG1 3.14Å
475	G	89.7	Confident	89.4	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-42.1	-179.1	0	0	0	0	0	113.9	S263 I471 T478 S479	S263-G475 WeakPolarHBondContact OG-CA 3.28Å; I471-G475 WeakPolarHBondContact O-CA 3.27Å; I471-G475 PolarHBondContact O-N 3.49Å; G475-T478 WeakPolarHBondContact CA-OG1 3.37Å; G475-T478 PolarHBondContact O-OG1 3.03Å; G475-S479 VanDerWaalsContact O-CB 3.27Å; G475-S479 WeakPolarHBondContact O-CB 3.14Å; G475-S479 PolarHBondContact O-N 3.5Å
476	S	90.6	Very high	89.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-67	-44.7	174.6	58.3	0	0	0	0	111.8	L472 L473 S479 T480	L472-S476 VanDerWaalsContact O-CB 3.23Å; L472-S476 WeakPolarHBondContact O-CB 3.36Å; L472-S476 PolarHBondContact O-N 3.45Å; L472-S476 PolarHBondContact O-OG 3.42Å; L473-S476 PolarHBondContact O-OG 2.83Å; S476-S479 VanDerWaalsContact O-CB 3.26Å; S476-S479 WeakPolarHBondContact O-CB 3.47Å; S476-S479 PolarHBondContact O-N 2.74Å; S476-T480 WeakPolarHBondContact O-CG2 3.48Å; S476-T480 PolarHBondContact O-N 3.27Å
477	F	91.1	Very high	89.2	Confident	46 Å²	46	31.3 Å²	31.3	20%	0.202	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-41.9	175.9	-179.1	-99.6	0	0	0	113.1	I200 L201 L473 S479 T480 F481	I200-F477 HydrophobicContact CG2-CB 4.09Å; L201-F477 HydrophobicContact CB-CD2 4.45Å; L201-F477 HydrophobicContact CB-CE2 4.08Å; L201-F477 HydrophobicContact CD1-CE2 4.49Å; L473-F477 WeakPolarHBondContact O-CB 3.32Å; L473-F477 PolarHBondContact O-N 3.45Å; L473-F477 VanDerWaalsContact O-N 3.17Å; F477-S479 VanDerWaalsContact C-N 3.29Å; F477-S479 PolarHBondContact O-N 2.96Å; F477-T480 PolarHBondContact O-N 3.41Å; F477-T480 PolarHBondContact O-OG1 3.21Å; F477-F481 PolarHBondContact O-N 3.18Å
478	T	88.3	Confident	89.2	Confident	38 Å²	38	27.1 Å²	27.1	23%	0.233	13%	0.133	C	C	.	.	H	α-helix	trans	-70.2	-26.6	174.7	51.3	0	0	0	0	112.6	S256 C259 I474 G475 G482	S256-T478 WeakPolarHBondContact CB-O 3.4Å; C259-T478 WeakPolarHBondContact CB-OG1 3.45Å; I474-T478 HydrophobicContact CG2-CG2 4.31Å; I474-T478 WeakPolarHBondContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CG2 3.3Å; I474-T478 PolarHBondContact O-N 2.9Å; I474-T478 PolarHBondContact O-OG1 3.14Å; G475-T478 WeakPolarHBondContact CA-OG1 3.37Å; G475-T478 PolarHBondContact O-OG1 3.03Å; T478-G482 PolarHBondContact O-N 2.75Å
479	S	88.6	Confident	88.9	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.028	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-44.5	170.8	-163.1	0	0	0	0	112.7	L110 V260 G475 S476 F477 G482 A483	L110-S479 PolarHBondContact O-OG 3.06Å; V260-S479 VanDerWaalsContact CG2-CB 3.43Å; V260-S479 WeakPolarHBondContact CG2-OG 3.5Å; G475-S479 VanDerWaalsContact O-CB 3.27Å; G475-S479 WeakPolarHBondContact O-CB 3.14Å; G475-S479 PolarHBondContact O-N 3.5Å; S476-S479 VanDerWaalsContact O-CB 3.26Å; S476-S479 WeakPolarHBondContact O-CB 3.47Å; S476-S479 PolarHBondContact O-N 2.74Å; F477-S479 VanDerWaalsContact C-N 3.29Å; F477-S479 PolarHBondContact O-N 2.96Å; S479-G482 PolarHBondContact O-N 3.17Å; S479-A483 WeakPolarHBondContact O-CB 3.45Å; S479-A483 PolarHBondContact O-N 2.92Å
480	T	89.8	Confident	88.7	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-46.4	-178.6	61.4	0	0	0	0	111.1	V112 Y193 G197 I200 S476 F477 A483 A484	V112-T480 HydrophobicContact CB-CG2 3.56Å; V112-T480 HydrophobicContact CG2-CG2 3.46Å; V112-T480 VanDerWaalsContact CG2-CG2 3.46Å; Y193-T480 WeakPolarHBondContact O-CB 3.26Å; G197-T480 VanDerWaalsContact CA-OG1 3.27Å; G197-T480 WeakPolarHBondContact CA-OG1 3.3Å; I200-T480 HydrophobicContact CD1-CG2 3.87Å; S476-T480 WeakPolarHBondContact O-CG2 3.48Å; S476-T480 PolarHBondContact O-N 3.27Å; F477-T480 PolarHBondContact O-N 3.41Å; F477-T480 PolarHBondContact O-OG1 3.21Å; T480-A483 PolarHBondContact O-N 3.11Å; T480-A484 VanDerWaalsContact O-CB 3.3Å; T480-A484 WeakPolarHBondContact O-CB 3.05Å; T480-A484 PolarHBondContact O-N 2.92Å
481	F	88.6	Confident	88.7	Confident	47 Å²	47	17.2 Å²	17.2	21%	0.206	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-41.2	174.3	-171.7	-108.8	0	0	0	112.3	E238 I241 F477 A483 L485	E238-F481 HydrophobicContact CG-CD2 4.09Å; E238-F481 HydrophobicContact CG-CE2 3.61Å; E238-F481 HydrophobicContact CG-CZ 4.38Å; E238-F481 WeakPolarHBondContact OE1-CD2 3.26Å; I241-F481 HydrophobicContact CD1-CZ 3.77Å; F477-F481 PolarHBondContact O-N 3.18Å; F481-A483 PolarHBondContact O-N 2.97Å; F481-L485 HydrophobicContact CD1-CD1 3.88Å; F481-L485 HydrophobicContact CE1-CD1 3.57Å; F481-L485 HydrophobicContact CG-CD1 4.49Å; F481-L485 HydrophobicContact CZ-CD1 3.93Å; F481-L485 WeakPolarHBondContact O-CB 3.19Å; F481-L485 WeakPolarHBondContact O-CG 3.35Å; F481-L485 PolarHBondContact O-N 3.28Å
482	G	86.3	Confident	88.5	Confident	7 Å²	7	14.8 Å²	14.8	7%	0.072	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-38.5	176.1	0	0	0	0	0	113.6	T478 S479 Q486	T478-G482 PolarHBondContact O-N 2.75Å; S479-G482 PolarHBondContact O-N 3.17Å; G482-Q486 WeakPolarHBondContact O-CB 3.42Å; G482-Q486 PolarHBondContact O-N 3.23Å
483	A	87.8	Confident	88.1	Confident	1 Å²	1	17 Å²	17	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-75.1	-43.5	176.8	0	0	0	0	0	112.2	Y193 S479 T480 F481 Q486 C487	Y193-A483 HydrophobicContact CD1-CB 4.05Å; Y193-A483 HydrophobicContact CD2-CB 3.75Å; Y193-A483 HydrophobicContact CE1-CB 4.14Å; Y193-A483 HydrophobicContact CE2-CB 3.85Å; Y193-A483 HydrophobicContact CG-CB 3.87Å; S479-A483 WeakPolarHBondContact O-CB 3.45Å; S479-A483 PolarHBondContact O-N 2.92Å; T480-A483 PolarHBondContact O-N 3.11Å; F481-A483 PolarHBondContact O-N 2.97Å; A483-Q486 WeakPolarHBondContact O-CB 3.46Å; A483-Q486 PolarHBondContact O-N 3.49Å; A483-Q486 VanDerWaalsContact O-N 3.11Å; A483-C487 PolarHBondContact O-N 2.97Å; A483-C487 PolarHBondContact O-SG 3.33Å; A483-C487 VanDerWaalsContact O-SG 3.41Å
484	A	90	Very high	87.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-50.6	175.9	0	0	0	0	0	111.6	T190 L194 E238 T480 Q486 C487 L488	T190-A484 HydrophobicContact CG2-CB 4.49Å; L194-A484 HydrophobicContact CD2-CB 4.05Å; L194-A484 HydrophobicContact CG-CB 3.92Å; E238-A484 VanDerWaalsContact OE1-CB 3.31Å; E238-A484 WeakPolarHBondContact OE1-CB 3.39Å; E238-A484 VanDerWaalsContact OE2-C 3.26Å; E238-A484 VanDerWaalsContact OE2-CB 3.28Å; E238-A484 WeakPolarHBondContact OE2-CB 3.45Å; T480-A484 VanDerWaalsContact O-CB 3.3Å; T480-A484 WeakPolarHBondContact O-CB 3.05Å; T480-A484 PolarHBondContact O-N 2.92Å; A484-Q486 VanDerWaalsContact C-N 3.25Å; A484-Q486 PolarHBondContact O-N 2.88Å; A484-C487 PolarHBondContact O-N 3.13Å; A484-L488 WeakPolarHBondContact O-CB 3.47Å; A484-L488 PolarHBondContact O-N 3.05Å
485	L	87.7	Confident	87.9	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-57.2	-36.7	174.1	-77.2	173.9	0	0	0	112.8	E238 I241 V242 V249 F481 C489	E238-L485 HydrophobicContact CB-CD2 3.77Å; E238-L485 HydrophobicContact CG-CD2 3.63Å; E238-L485 HydrophobicContact CG-CG 4Å; E238-L485 PolarHBondContact OE2-N 3.38Å; E238-L485 VanDerWaalsContact OE2-N 3.14Å; I241-L485 HydrophobicContact CB-CD2 4.29Å; I241-L485 HydrophobicContact CG2-CD2 4.06Å; V242-L485 HydrophobicContact CG2-CD2 4Å; V249-L485 HydrophobicContact CG1-CB 3.84Å; V249-L485 HydrophobicContact CG2-CB 4.37Å; V249-L485 HydrophobicContact CG2-CD1 4.46Å; V249-L485 HydrophobicContact CG2-CD2 4.08Å; F481-L485 HydrophobicContact CD1-CD1 3.88Å; F481-L485 HydrophobicContact CE1-CD1 3.57Å; F481-L485 HydrophobicContact CG-CD1 4.49Å; F481-L485 HydrophobicContact CZ-CD1 3.93Å; F481-L485 WeakPolarHBondContact O-CB 3.19Å; F481-L485 WeakPolarHBondContact O-CG 3.35Å; F481-L485 PolarHBondContact O-N 3.28Å; L485-C489 WeakPolarHBondContact O-CB 2.98Å; L485-C489 PolarHBondContact O-N 3.35Å; L485-C489 PolarHBondContact O-SG 2.99Å
486	Q	84.3	Confident	87.8	Confident	29 Å²	29	13.4 Å²	13.4	14%	0.136	7%	0.069	C	C	.	.	H	α-helix	trans	-71	-39.6	179.7	-167.9	175	18.6	0	0	112	P104 G482 A483 A484 S490	P104-Q486 PolarHBondContact O-NE2 3.38Å; P104-Q486 VanDerWaalsContact O-NE2 3.17Å; G482-Q486 WeakPolarHBondContact O-CB 3.42Å; G482-Q486 PolarHBondContact O-N 3.23Å; A483-Q486 WeakPolarHBondContact O-CB 3.46Å; A483-Q486 PolarHBondContact O-N 3.49Å; A483-Q486 VanDerWaalsContact O-N 3.11Å; A484-Q486 VanDerWaalsContact C-N 3.25Å; A484-Q486 PolarHBondContact O-N 2.88Å; Q486-S490 WeakPolarHBondContact O-CB 3.23Å; Q486-S490 PolarHBondContact O-N 2.89Å; Q486-S490 VanDerWaalsContact O-N 3.11Å; Q486-S490 PolarHBondContact O-OG 3.08Å
487	C	88.4	Confident	87.5	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.5	-44.5	172.3	-64.8	0	0	0	0	111.6	H108 T190 A483 A484 C489 S490 A491	H108-C487 PolarHBondContact NE2-SG 2.81Å; T190-C487 WeakPolarHBondContact OG1-CB 3.36Å; A483-C487 PolarHBondContact O-N 2.97Å; A483-C487 PolarHBondContact O-SG 3.33Å; A483-C487 VanDerWaalsContact O-SG 3.41Å; A484-C487 PolarHBondContact O-N 3.13Å; C487-C489 VanDerWaalsContact C-N 3.26Å; C487-C489 PolarHBondContact O-N 3.39Å; C487-S490 WeakPolarHBondContact CA-OG 3.24Å; C487-S490 PolarHBondContact O-N 2.95Å; C487-S490 VanDerWaalsContact O-N 3.12Å; C487-S490 PolarHBondContact O-OG 3.5Å; C487-S490 VanDerWaalsContact O-OG 3.11Å; C487-A491 PolarHBondContact O-N 2.84Å
488	L	89.8	Confident	87.2	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-23.6	177.9	-169	60.8	0	0	0	113	T190 L235 E238 V242 A484 P492 L523 T526	T190-L488 HydrophobicContact CG2-CB 3.99Å; T190-L488 HydrophobicContact CG2-CD1 4.42Å; L235-L488 HydrophobicContact CD1-CD2 4.31Å; E238-L488 HydrophobicContact CB-CD2 3.75Å; V242-L488 HydrophobicContact CG2-CB 4.43Å; V242-L488 HydrophobicContact CG2-CD2 4.05Å; V242-L488 HydrophobicContact CG2-CG 4.14Å; A484-L488 WeakPolarHBondContact O-CB 3.47Å; A484-L488 PolarHBondContact O-N 3.05Å; L488-P492 WeakPolarHBondContact O-CD 3.38Å; L488-P492 WeakPolarHBondContact O-CG 3.5Å; L488-L523 HydrophobicContact CD1-CD1 3.82Å; L488-L523 HydrophobicContact CG-CD1 3.89Å; L488-T526 HydrophobicContact CD1-CG2 3.93Å
489	C	84	Confident	87.2	Confident	13 Å²	13	11 Å²	11	9%	0.088	6%	0.059	C	C	.	.	H	α-helix	trans	-80.2	-35.4	169.2	-72.1	0	0	0	0	113.6	V246 L485 C487 R493	V246-C489 HydrophobicContact CG2-CB 4.35Å; L485-C489 WeakPolarHBondContact O-CB 2.98Å; L485-C489 PolarHBondContact O-N 3.35Å; L485-C489 PolarHBondContact O-SG 2.99Å; C487-C489 VanDerWaalsContact C-N 3.26Å; C487-C489 PolarHBondContact O-N 3.39Å; C489-R493 WeakPolarHBondContact O-CD 3.26Å; C489-R493 WeakPolarHBondContact O-CG 3.37Å
490	S	83.9	Confident	86.9	Confident	19 Å²	19	14.8 Å²	14.8	13%	0.133	8%	0.075	C	C	.	.	H	α-helix	trans	-83.8	-41.1	-172.4	52.9	0	0	0	0	113.2	Q486 C487 R493 L494	Q486-S490 WeakPolarHBondContact O-CB 3.23Å; Q486-S490 PolarHBondContact O-N 2.89Å; Q486-S490 VanDerWaalsContact O-N 3.11Å; Q486-S490 PolarHBondContact O-OG 3.08Å; C487-S490 WeakPolarHBondContact CA-OG 3.24Å; C487-S490 PolarHBondContact O-N 2.95Å; C487-S490 VanDerWaalsContact O-N 3.12Å; C487-S490 PolarHBondContact O-OG 3.5Å; C487-S490 VanDerWaalsContact O-OG 3.11Å; S490-R493 PolarHBondContact O-N 2.96Å; S490-L494 WeakPolarHBondContact O-CB 3.38Å; S490-L494 PolarHBondContact O-N 3.46Å
491	A	89.3	Confident	86.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-46.5	178.8	0	0	0	0	0	113.9	Y183 N186 C487 R493 L494 L495 T526	Y183-A491 HydrophobicContact CD2-CB 3.96Å; Y183-A491 WeakPolarHBondContact CD2-O 3.25Å; Y183-A491 HydrophobicContact CE2-CB 4.08Å; N186-A491 HydrophobicContact CB-CB 3.87Å; C487-A491 PolarHBondContact O-N 2.84Å; A491-R493 VanDerWaalsContact C-N 3.33Å; A491-R493 PolarHBondContact O-N 3.28Å; A491-L494 WeakPolarHBondContact O-CB 3.48Å; A491-L494 PolarHBondContact O-N 2.94Å; A491-L495 PolarHBondContact O-N 2.98Å; A491-T526 HydrophobicContact CB-CG2 3.65Å
492	P	88.7	Confident	86.2	Confident	3 Å²	3	16.3 Å²	16.3	2%	0.019	9%	0.086	C	C	.	.	H	α-helix	trans	-63.4	-37.3	178.2	-23.4	34.8	0	0	0	113.2	L488 Q496 P519 A522 L523 T526	L488-P492 WeakPolarHBondContact O-CD 3.38Å; L488-P492 WeakPolarHBondContact O-CG 3.5Å; P492-Q496 VanDerWaalsContact O-CB 3.31Å; P492-Q496 WeakPolarHBondContact O-CB 3.46Å; P492-Q496 PolarHBondContact O-N 3.29Å; P492-P519 HydrophobicContact CB-CG 3.99Å; P492-A522 HydrophobicContact CB-CB 3.98Å; P492-A522 WeakPolarHBondContact O-CB 3.4Å; P492-L523 HydrophobicContact CB-CB 4.22Å; P492-L523 HydrophobicContact CG-CB 4.11Å; P492-L523 HydrophobicContact CG-CD1 3.82Å; P492-T526 HydrophobicContact CG-CG2 4.22Å
493	R	83.5	Confident	85.9	Confident	46 Å²	46	16.8 Å²	16.8	17%	0.174	9%	0.087	C	C	.	.	H	α-helix	trans	-70.5	-36.5	178.3	-70.8	178.7	171.5	-126.3	-0.6	111.3	C489 S490 A491 Q496 S497 E518 P519	C489-R493 WeakPolarHBondContact O-CD 3.26Å; C489-R493 WeakPolarHBondContact O-CG 3.37Å; S490-R493 PolarHBondContact O-N 2.96Å; A491-R493 VanDerWaalsContact C-N 3.33Å; A491-R493 PolarHBondContact O-N 3.28Å; R493-Q496 PolarHBondContact O-N 3.45Å; R493-S497 PolarHBondContact O-N 3.48Å; R493-S497 PolarHBondContact O-OG 3.1Å; R493-E518 IonicContact CZ-OE2 2.73Å; R493-E518 IonicContact NE-OE2 3.56Å; R493-E518 VanDerWaalsContact NH2-CD 3.34Å; R493-E518 IonicContact NH2-OE1 3.68Å; R493-E518 PolarHBondContact NH2-OE1 3.12Å; R493-E518 IonicContact NH2-OE2 3.26Å; R493-E518 PolarHBondContact NH2-OE2 3.24Å; R493-P519 HydrophobicContact CG-CG 4.21Å
494	L	86.5	Confident	85.7	Confident	9 Å²	9	17.2 Å²	17.2	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-47.6	172.8	-163.8	75.2	0	0	0	111.5	G179 Y182 Y183 S490 A491 Q496 S497 I498	G179-L494 WeakPolarHBondContact O-CD2 3.44Å; Y182-L494 HydrophobicContact CD1-CD1 3.93Å; Y182-L494 HydrophobicContact CD1-CD2 3.44Å; Y182-L494 VanDerWaalsContact CD1-CD2 3.44Å; Y182-L494 HydrophobicContact CD1-CG 4.37Å; Y182-L494 HydrophobicContact CE1-CD1 4.27Å; Y182-L494 HydrophobicContact CE1-CD2 4.18Å; Y182-L494 HydrophobicContact CG-CD2 3.86Å; Y183-L494 VanDerWaalsContact N-CD2 3.34Å; S490-L494 WeakPolarHBondContact O-CB 3.38Å; S490-L494 PolarHBondContact O-N 3.46Å; A491-L494 WeakPolarHBondContact O-CB 3.48Å; A491-L494 PolarHBondContact O-N 2.94Å; L494-Q496 VanDerWaalsContact C-N 3.33Å; L494-Q496 PolarHBondContact O-N 2.97Å; L494-S497 PolarHBondContact O-N 3.42Å; L494-I498 HydrophobicContact CG-CD1 4.4Å; L494-I498 WeakPolarHBondContact O-CD1 3.41Å; L494-I498 WeakPolarHBondContact O-CG1 3.44Å; L494-I498 PolarHBondContact O-N 3.22Å; L494-I498 VanDerWaalsContact O-N 3.07Å
495	L	88.9	Confident	85.2	Confident	10 Å²	10	20.1 Å²	20.1	5%	0.052	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-39.8	175.9	-176.5	61	0	0	0	112.1	Y183 A491 I498 A499 L507 F510 A522	Y183-L495 HydrophobicContact CD2-CB 3.78Å; Y183-L495 HydrophobicContact CE2-CB 3.84Å; Y183-L495 HydrophobicContact CE2-CD2 3.84Å; Y183-L495 HydrophobicContact CE2-CG 4.33Å; A491-L495 PolarHBondContact O-N 2.98Å; L495-I498 PolarHBondContact O-N 3.37Å; L495-A499 WeakPolarHBondContact O-CB 3.43Å; L495-A499 PolarHBondContact O-N 3.18Å; L495-L507 HydrophobicContact CD1-CD1 4.12Å; L495-L507 HydrophobicContact CD1-CD2 4.25Å; L495-F510 HydrophobicContact CG-CB 4.49Å; L495-A522 HydrophobicContact CB-CB 4.32Å; L495-A522 HydrophobicContact CD2-CB 4.02Å; L495-A522 HydrophobicContact CG-CB 4.36Å
496	Q	87.4	Confident	85.2	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-43.3	174.1	-173.8	-155	-19.7	0	0	111.9	P492 R493 L494 A499 K500 P519	P492-Q496 VanDerWaalsContact O-CB 3.31Å; P492-Q496 WeakPolarHBondContact O-CB 3.46Å; P492-Q496 PolarHBondContact O-N 3.29Å; R493-Q496 PolarHBondContact O-N 3.45Å; L494-Q496 VanDerWaalsContact C-N 3.33Å; L494-Q496 PolarHBondContact O-N 2.97Å; Q496-A499 CarbonylContact O-C 3.55Å; Q496-A499 PolarHBondContact O-N 3.24Å; Q496-K500 PolarHBondContact O-N 3.15Å; Q496-P519 HydrophobicContact CB-CB 3.9Å; Q496-P519 HydrophobicContact CB-CG 4.32Å; Q496-P519 HydrophobicContact CG-CB 3.91Å
497	S	83.6	Confident	85.3	Confident	29 Å²	29	26.2 Å²	26.2	20%	0.203	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-41.7	177.8	-66.1	0	0	0	0	112.3	R493 L494 A499 K500 D501	R493-S497 PolarHBondContact O-N 3.48Å; R493-S497 PolarHBondContact O-OG 3.1Å; L494-S497 PolarHBondContact O-N 3.42Å; S497-A499 VanDerWaalsContact C-N 3.27Å; S497-A499 PolarHBondContact O-N 3.28Å; S497-K500 WeakPolarHBondContact O-CB 3.49Å; S497-K500 PolarHBondContact O-N 2.96Å; S497-K500 VanDerWaalsContact O-N 3.13Å; S497-D501 PolarHBondContact O-N 3.17Å
498	I	86.7	Confident	85.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-38.7	173.1	-63.1	157.9	0	0	0	111	Y163 G179 I180 L494 L495 L507	Y163-I498 HydrophobicContact CD2-CD1 4.45Å; Y163-I498 HydrophobicContact CD2-CG1 3.64Å; Y163-I498 HydrophobicContact CE1-CG1 4.35Å; Y163-I498 HydrophobicContact CE2-CB 4.36Å; Y163-I498 HydrophobicContact CE2-CG1 3.46Å; Y163-I498 VanDerWaalsContact CE2-CG1 3.46Å; Y163-I498 HydrophobicContact CG-CG1 4.16Å; G179-I498 VanDerWaalsContact C-CD1 3.48Å; I180-I498 HydrophobicContact CG1-CD1 4.34Å; L494-I498 HydrophobicContact CG-CD1 4.4Å; L494-I498 WeakPolarHBondContact O-CD1 3.41Å; L494-I498 WeakPolarHBondContact O-CG1 3.44Å; L494-I498 PolarHBondContact O-N 3.22Å; L494-I498 VanDerWaalsContact O-N 3.07Å; L495-I498 PolarHBondContact O-N 3.37Å; I498-L507 HydrophobicContact CG2-CD1 3.93Å
499	A	87.7	Confident	85.1	Confident	3 Å²	3	39.3 Å²	39.3	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-72.3	-27.1	175.9	0	0	0	0	0	113.7	L495 Q496 S497 L507 F510	L495-A499 WeakPolarHBondContact O-CB 3.43Å; L495-A499 PolarHBondContact O-N 3.18Å; Q496-A499 CarbonylContact O-C 3.55Å; Q496-A499 PolarHBondContact O-N 3.24Å; S497-A499 VanDerWaalsContact C-N 3.27Å; S497-A499 PolarHBondContact O-N 3.28Å; A499-L507 HydrophobicContact CB-CB 4.36Å; A499-L507 WeakPolarHBondContact CB-O 3.25Å; A499-F510 HydrophobicContact CB-CB 4.34Å
500	K	82.5	Confident	85.2	Confident	85 Å²	85	40.5 Å²	40.5	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-70.8	-44.2	176.1	-99.5	-157.3	172.9	-156.7	0	112.3	P81 E85 Q496 S497 D502	P81-K500 PolarHBondContact O-NZ 2.49Å; E85-K500 IonicContact OE1-NZ 2.66Å; E85-K500 PolarHBondContact OE1-NZ 3.28Å; Q496-K500 PolarHBondContact O-N 3.15Å; S497-K500 WeakPolarHBondContact O-CB 3.49Å; S497-K500 PolarHBondContact O-N 2.96Å; S497-K500 VanDerWaalsContact O-N 3.13Å; K500-D502 PolarHBondContact O-N 3.25Å; K500-D502 VanDerWaalsContact O-N 3.16Å
501	D	80.7	Confident	85.2	Confident	40 Å²	40	41.5 Å²	41.5	21%	0.214	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.8	178.7	-83.6	-12	0	0	0	112.2	Y163 S167 R168 S497 V503 K624	Y163-D501 HydrophobicContact CE1-CB 4.42Å; Y163-D501 WeakPolarHBondContact CE1-OD2 3.47Å; S167-D501 PolarHBondContact OG-OD2 3.12Å; R168-D501 IonicContact NH2-OD1 3.74Å; R168-D501 PolarHBondContact NH2-OD1 3.03Å; R168-D501 IonicContact NH2-OD2 3.42Å; S497-D501 PolarHBondContact O-N 3.17Å; D501-V503 HydrophobicContact CB-CG2 3.6Å; D501-V503 PolarHBondContact O-N 2.87Å; D501-K624 PolarHBondContact O-NZ 3.04Å
502	D	82.1	Confident	84.8	Confident	42 Å²	42	43.6 Å²	43.6	23%	0.225	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.1	175.6	179	67.4	0	0	0	112	K500 K624	K500-D502 PolarHBondContact O-N 3.25Å; K500-D502 VanDerWaalsContact O-N 3.16Å; D502-K624 PolarHBondContact O-NZ 2.86Å; D502-K624 VanDerWaalsContact O-NZ 3.16Å; D502-K624 IonicContact OD2-NZ 3.96Å; D502-K624 PolarHBondContact OD2-NZ 3.32Å
503	V	79.5	Confident	84.4	Confident	16 Å²	16	45.2 Å²	45.2	10%	0.097	23%	0.225	C	C	.	.	S	Bend	trans	-74.2	-35.5	178.5	-173.8	0	0	0	0	110.9	Y163 D501 I617	Y163-V503 WeakPolarHBondContact OH-CG2 3.26Å; D501-V503 HydrophobicContact CB-CG2 3.6Å; D501-V503 PolarHBondContact O-N 2.87Å; V503-I617 HydrophobicContact CG1-CB 4.2Å; V503-I617 HydrophobicContact CG1-CD1 4.33Å; V503-I617 HydrophobicContact CG1-CG1 4.02Å; V503-I617 HydrophobicContact CG1-CG2 3.21Å
504	I	83.7	Confident	84.2	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.051	23%	0.233	C	C	.	.	S	Bend	trans	-124.5	103.7	177.4	-62.7	-170.5	0	0	0	108.4	I180 F506 L507 Y616 I617	I180-I504 HydrophobicContact CD1-CD1 3.44Å; I180-I504 VanDerWaalsContact CD1-CD1 3.44Å; I504-F506 HydrophobicContact CG2-CD1 3.4Å; I504-F506 VanDerWaalsContact CG2-CD1 3.4Å; I504-F506 HydrophobicContact CG2-CD2 4.13Å; I504-F506 HydrophobicContact CG2-CE1 3.18Å; I504-F506 HydrophobicContact CG2-CE2 3.93Å; I504-F506 HydrophobicContact CG2-CG 3.88Å; I504-F506 HydrophobicContact CG2-CZ 3.47Å; I504-F506 VanDerWaalsContact CG2-CZ 3.47Å; I504-F506 PolarHBondContact O-N 3.31Å; I504-L507 HydrophobicContact CB-CB 4.49Å; I504-L507 HydrophobicContact CB-CD1 4.02Å; I504-L507 HydrophobicContact CB-CG 4.13Å; I504-L507 HydrophobicContact CD1-CD1 4.31Å; I504-L507 HydrophobicContact CG2-CB 4.49Å; I504-L507 HydrophobicContact CG2-CD1 4.14Å; I504-L507 HydrophobicContact CG2-CG 3.86Å; I504-L507 PolarHBondContact O-N 3.21Å; I504-Y616 HydrophobicContact CG2-CE1 4.46Å; I504-I617 HydrophobicContact CD1-CD1 4.27Å; I504-I617 HydrophobicContact CD1-CG1 4.13Å; I504-I617 HydrophobicContact CG1-CG1 4.06Å
505	P	80.6	Confident	83.7	Confident	61 Å²	61	56 Å²	56	40%	0.396	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.6	-170.2	-30.3	36.7	0	0	0	115.8	R508 K620	P505-R508 VanDerWaalsContact O-CB 3.31Å; P505-R508 WeakPolarHBondContact O-CB 3.33Å; P505-R508 PolarHBondContact O-N 2.89Å; P505-K620 HydrophobicContact CG-CD 4.47Å
506	F	86.6	Confident	82.7	Confident	138 Å²	138	63.9 Å²	63.9	61%	0.605	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-77.6	-18.4	177.2	69.5	-105.7	0	0	0	113.7	I504 R508	I504-F506 HydrophobicContact CG2-CD1 3.4Å; I504-F506 VanDerWaalsContact CG2-CD1 3.4Å; I504-F506 HydrophobicContact CG2-CD2 4.13Å; I504-F506 HydrophobicContact CG2-CE1 3.18Å; I504-F506 HydrophobicContact CG2-CE2 3.93Å; I504-F506 HydrophobicContact CG2-CG 3.88Å; I504-F506 HydrophobicContact CG2-CZ 3.47Å; I504-F506 VanDerWaalsContact CG2-CZ 3.47Å; I504-F506 PolarHBondContact O-N 3.31Å; F506-R508 VanDerWaalsContact C-N 3.32Å
507	L	87.5	Confident	81.9	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.11	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-81.8	-12.2	174.4	-64	-177.5	0	0	0	112.8	L495 I498 A499 I504 E509 F510	L495-L507 HydrophobicContact CD1-CD1 4.12Å; L495-L507 HydrophobicContact CD1-CD2 4.25Å; I498-L507 HydrophobicContact CG2-CD1 3.93Å; A499-L507 HydrophobicContact CB-CB 4.36Å; A499-L507 WeakPolarHBondContact CB-O 3.25Å; I504-L507 HydrophobicContact CB-CB 4.49Å; I504-L507 HydrophobicContact CB-CD1 4.02Å; I504-L507 HydrophobicContact CB-CG 4.13Å; I504-L507 HydrophobicContact CD1-CD1 4.31Å; I504-L507 HydrophobicContact CG2-CB 4.49Å; I504-L507 HydrophobicContact CG2-CD1 4.14Å; I504-L507 HydrophobicContact CG2-CG 3.86Å; I504-L507 PolarHBondContact O-N 3.21Å; L507-E509 PolarHBondContact O-N 3.23Å; L507-F510 HydrophobicContact CB-CD2 4.23Å; L507-F510 HydrophobicContact CD2-CD2 3.89Å; L507-F510 HydrophobicContact CD2-CE2 3.87Å; L507-F510 WeakPolarHBondContact O-CB 3.44Å; L507-F510 VanDerWaalsContact O-CD2 3.26Å; L507-F510 WeakPolarHBondContact O-CD2 3.49Å; L507-F510 PolarHBondContact O-N 3.04Å
508	R	85.8	Confident	81.6	Confident	159 Å²	159	64.4 Å²	64.4	60%	0.6	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-53	-31.2	-175.3	-177	174.3	171.5	175	-2.6	113.7	P505 F506 F510 S511	P505-R508 VanDerWaalsContact O-CB 3.31Å; P505-R508 WeakPolarHBondContact O-CB 3.33Å; P505-R508 PolarHBondContact O-N 2.89Å; F506-R508 VanDerWaalsContact C-N 3.32Å; R508-F510 PolarHBondContact O-N 3Å; R508-S511 WeakPolarHBondContact O-CB 3.31Å; R508-S511 PolarHBondContact O-N 3.12Å; R508-S511 VanDerWaalsContact O-N 3.14Å; R508-S511 PolarHBondContact O-OG 3.02Å
509	E	86.8	Confident	81.5	Confident	117 Å²	117	64.7 Å²	64.7	55%	0.547	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26	177.1	-169.5	56.5	-152.8	0	0	113.3	L507 S512 K521	L507-E509 PolarHBondContact O-N 3.23Å; E509-S512 PolarHBondContact O-OG 3.27Å; E509-K521 HydrophobicContact CG-CD 4.42Å; E509-K521 WeakPolarHBondContact O-CD 3.37Å; E509-K521 PolarHBondContact O-NZ 3Å; E509-K521 IonicContact OE1-NZ 4Å; E509-K521 PolarHBondContact OE1-NZ 3.09Å
510	F	87.6	Confident	81.5	Confident	37 Å²	37	69 Å²	69	16%	0.162	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-87.9	-3.3	-179.8	-46.3	-52	0	0	0	113.9	L495 A499 L507 R508 S512 K521 A522 I525	L495-F510 HydrophobicContact CG-CB 4.49Å; A499-F510 HydrophobicContact CB-CB 4.34Å; L507-F510 HydrophobicContact CB-CD2 4.23Å; L507-F510 HydrophobicContact CD2-CD2 3.89Å; L507-F510 HydrophobicContact CD2-CE2 3.87Å; L507-F510 WeakPolarHBondContact O-CB 3.44Å; L507-F510 VanDerWaalsContact O-CD2 3.26Å; L507-F510 WeakPolarHBondContact O-CD2 3.49Å; L507-F510 PolarHBondContact O-N 3.04Å; R508-F510 PolarHBondContact O-N 3Å; F510-S512 PolarHBondContact O-N 3.22Å; F510-K521 HydrophobicContact CD1-CB 4.03Å; F510-A522 HydrophobicContact CB-CB 4.4Å; F510-I525 HydrophobicContact CD1-CD1 3.99Å; F510-I525 HydrophobicContact CE1-CD1 3.25Å; F510-I525 HydrophobicContact CE1-CG1 4.43Å; F510-I525 HydrophobicContact CE2-CD1 4.03Å; F510-I525 HydrophobicContact CZ-CD1 3.28Å
511	S	82.9	Confident	81.9	Confident	41 Å²	41	68.4 Å²	68.4	29%	0.287	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-68.6	-18.9	172.2	66.9	0	0	0	0	113.3	R508 V513	R508-S511 WeakPolarHBondContact O-CB 3.31Å; R508-S511 PolarHBondContact O-N 3.12Å; R508-S511 VanDerWaalsContact O-N 3.14Å; R508-S511 PolarHBondContact O-OG 3.02Å; S511-V513 PolarHBondContact O-N 2.91Å
512	S	81	Confident	82.4	Confident	43 Å²	43	66.5 Å²	66.5	30%	0.301	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74.9	120	-172.8	68.1	0	0	0	0	112.9	E509 F510 K521	E509-S512 PolarHBondContact O-OG 3.27Å; F510-S512 PolarHBondContact O-N 3.22Å; S512-K521 WeakPolarHBondContact OG-CD 3.41Å; S512-K521 VanDerWaalsContact OG-CE 3.28Å; S512-K521 WeakPolarHBondContact OG-CE 3.12Å; S512-K521 PolarHBondContact OG-NZ 3.45Å
513	V	80.1	Confident	82.9	Confident	38 Å²	38	64.9 Å²	64.9	23%	0.23	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-90.5	154.1	172.8	-66.6	0	0	0	0	113.2	K82 S511 N517	K82-V513 HydrophobicContact CD-CG2 4.09Å; S511-V513 PolarHBondContact O-N 2.91Å; V513-N517 WeakPolarHBondContact CG1-O 2.98Å
514	T	80.5	Confident	83.6	Confident	58 Å²	58	68.7 Å²	68.7	36%	0.356	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73.2	172.9	166.7	61.6	0	0	0	0	112	R516 N517 E518 F520	T514-R516 PolarHBondContact O-N 3.07Å; T514-R516 PolarHBondContact OG1-N 2.93Å; T514-N517 PolarHBondContact O-N 3.42Å; T514-E518 WeakPolarHBondContact CG2-O 3.08Å; T514-E518 PolarHBondContact N-O 3.46Å; T514-E518 PolarHBondContact OG1-N 3.19Å; T514-E518 PolarHBondContact OG1-O 3.39Å; T514-F520 HydrophobicContact CG2-CB 3.63Å
515	K	75.7	Confident	84	Confident	222 Å²	222	71.1 Å²	71.1	97%	0.965	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.4	172.1	-67.2	-176.4	178.5	-179.5	0	114.6
516	R	68	Low	84.7	Confident	176 Å²	176	68.2 Å²	68.2	66%	0.664	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	12.7	174.5	-66.9	-173.8	177.1	179.2	1.8	112.8	M244 T514 E518	M244-R516 PolarHBondContact O-NH1 3.39Å; T514-R516 PolarHBondContact O-N 3.07Å; T514-R516 PolarHBondContact OG1-N 2.93Å; R516-E518 HydrophobicContact CB-CG 4.36Å; R516-E518 PolarHBondContact O-N 3.21Å
517	N	69.5	Low	85.1	Confident	23 Å²	23	62.7 Å²	62.7	12%	0.123	30%	0.295	C	S	.	.	S	Bend	trans	62.2	7.4	-172	-69.2	-31.5	0	0	0	116.1	E83 V513 T514	E83-N517 PolarHBondContact OE2-ND2 3.23Å; V513-N517 WeakPolarHBondContact CG1-O 2.98Å; T514-N517 PolarHBondContact O-N 3.42Å
518	E	77.2	Confident	85.5	Confident	22 Å²	22	64.2 Å²	64.2	10%	0.103	31%	0.311	C	S	.	.			trans	-84.4	137.1	178	-56.3	-64.6	-178.2	0	0	112.4	V246 R493 T514 R516 F520	V246-E518 WeakPolarHBondContact CB-OE1 3.39Å; V246-E518 WeakPolarHBondContact CG2-OE1 3.48Å; V246-E518 WeakPolarHBondContact CG2-OE2 3.42Å; V246-E518 PolarHBondContact N-OE1 3.47Å; R493-E518 IonicContact CZ-OE2 2.73Å; R493-E518 IonicContact NE-OE2 3.56Å; R493-E518 VanDerWaalsContact NH2-CD 3.34Å; R493-E518 IonicContact NH2-OE1 3.68Å; R493-E518 PolarHBondContact NH2-OE1 3.12Å; R493-E518 IonicContact NH2-OE2 3.26Å; R493-E518 PolarHBondContact NH2-OE2 3.24Å; T514-E518 WeakPolarHBondContact CG2-O 3.08Å; T514-E518 PolarHBondContact N-O 3.46Å; T514-E518 PolarHBondContact OG1-N 3.19Å; T514-E518 PolarHBondContact OG1-O 3.39Å; R516-E518 HydrophobicContact CB-CG 4.36Å; R516-E518 PolarHBondContact O-N 3.21Å; E518-F520 PolarHBondContact O-N 3.48Å; E518-F520 VanDerWaalsContact O-N 3.09Å
519	P	84.7	Confident	85.9	Confident	6 Å²	6	58 Å²	58	4%	0.039	29%	0.291	C	S	.	.			trans	-86.1	68.4	-176.2	35.9	-37.4	0	0	0	112.9	P492 R493 Q496 K521 A522 L523	P492-P519 HydrophobicContact CB-CG 3.99Å; R493-P519 HydrophobicContact CG-CG 4.21Å; Q496-P519 HydrophobicContact CB-CB 3.9Å; Q496-P519 HydrophobicContact CB-CG 4.32Å; Q496-P519 HydrophobicContact CG-CB 3.91Å; P519-K521 VanDerWaalsContact C-N 3.3Å; P519-K521 PolarHBondContact O-N 3.44Å; P519-K521 VanDerWaalsContact O-N 3.12Å; P519-A522 HydrophobicContact CB-CB 4.12Å; P519-A522 WeakPolarHBondContact O-CB 3.36Å; P519-A522 PolarHBondContact O-N 3.06Å; P519-L523 PolarHBondContact O-N 3.45Å
520	F	89.5	Confident	86.3	Confident	94 Å²	94	52.5 Å²	52.5	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-54	-35.6	-171.7	-175.1	-99	0	0	0	115.4	F239 A243 T514 E518 L523 L524	F239-F520 HydrophobicContact CE2-CE2 4.3Å; F239-F520 AromaticContact CZ-CE2 3.71Å; F239-F520 HydrophobicContact CZ-CE2 3.71Å; F239-F520 AromaticContact CZ-CZ 3.87Å; F239-F520 HydrophobicContact CZ-CZ 3.87Å; A243-F520 HydrophobicContact CB-CD2 4.23Å; A243-F520 HydrophobicContact CB-CE2 4.06Å; T514-F520 HydrophobicContact CG2-CB 3.63Å; E518-F520 PolarHBondContact O-N 3.48Å; E518-F520 VanDerWaalsContact O-N 3.09Å; F520-L523 PolarHBondContact O-N 3Å; F520-L524 PolarHBondContact O-N 3.01Å
521	K	90.4	Very high	86.6	Confident	73 Å²	73	53.3 Å²	53.3	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-68.9	-38	176.7	-62.7	-178.8	-169.7	158.5	0	112.8	E509 F510 S512 P519 L523 I525	E509-K521 HydrophobicContact CG-CD 4.42Å; E509-K521 WeakPolarHBondContact O-CD 3.37Å; E509-K521 PolarHBondContact O-NZ 3Å; E509-K521 IonicContact OE1-NZ 4Å; E509-K521 PolarHBondContact OE1-NZ 3.09Å; F510-K521 HydrophobicContact CD1-CB 4.03Å; S512-K521 WeakPolarHBondContact OG-CD 3.41Å; S512-K521 VanDerWaalsContact OG-CE 3.28Å; S512-K521 WeakPolarHBondContact OG-CE 3.12Å; S512-K521 PolarHBondContact OG-NZ 3.45Å; P519-K521 VanDerWaalsContact C-N 3.3Å; P519-K521 PolarHBondContact O-N 3.44Å; P519-K521 VanDerWaalsContact O-N 3.12Å; K521-L523 VanDerWaalsContact C-N 3.34Å; K521-I525 PolarHBondContact O-N 2.85Å
522	A	91	Very high	87.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-37.7	175.3	0	0	0	0	0	110.7	P492 L495 F510 P519 I525 T526	P492-A522 HydrophobicContact CB-CB 3.98Å; P492-A522 WeakPolarHBondContact O-CB 3.4Å; L495-A522 HydrophobicContact CB-CB 4.32Å; L495-A522 HydrophobicContact CD2-CB 4.02Å; L495-A522 HydrophobicContact CG-CB 4.36Å; F510-A522 HydrophobicContact CB-CB 4.4Å; P519-A522 HydrophobicContact CB-CB 4.12Å; P519-A522 WeakPolarHBondContact O-CB 3.36Å; P519-A522 PolarHBondContact O-N 3.06Å; A522-I525 PolarHBondContact O-N 3.4Å; A522-T526 WeakPolarHBondContact O-CB 3.48Å; A522-T526 PolarHBondContact O-N 3.31Å; A522-T526 PolarHBondContact O-OG1 2.97Å
523	L	92.4	Very high	87.7	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-48.3	174.2	178.6	65.3	0	0	0	111.2	F239 V242 A243 L488 P492 P519 F520 K521 I525 T526 T527	F239-L523 HydrophobicContact CD2-CD1 4.33Å; F239-L523 HydrophobicContact CD2-CD2 3.85Å; F239-L523 HydrophobicContact CD2-CG 3.71Å; F239-L523 HydrophobicContact CE2-CD2 3.87Å; F239-L523 HydrophobicContact CE2-CG 3.81Å; V242-L523 HydrophobicContact CB-CD1 4.23Å; V242-L523 HydrophobicContact CB-CD2 4.21Å; V242-L523 HydrophobicContact CG1-CD1 3.82Å; V242-L523 HydrophobicContact CG1-CD2 3.97Å; A243-L523 HydrophobicContact CB-CD2 3.99Å; L488-L523 HydrophobicContact CD1-CD1 3.82Å; L488-L523 HydrophobicContact CG-CD1 3.89Å; P492-L523 HydrophobicContact CB-CB 4.22Å; P492-L523 HydrophobicContact CG-CB 4.11Å; P492-L523 HydrophobicContact CG-CD1 3.82Å; P519-L523 PolarHBondContact O-N 3.45Å; F520-L523 PolarHBondContact O-N 3Å; K521-L523 VanDerWaalsContact C-N 3.34Å; L523-I525 VanDerWaalsContact C-N 3.3Å; L523-I525 PolarHBondContact O-N 2.94Å; L523-T526 WeakPolarHBondContact O-CB 3.46Å; L523-T526 PolarHBondContact O-N 3.47Å; L523-T526 VanDerWaalsContact O-N 3.09Å; L523-T527 PolarHBondContact O-N 2.84Å; L523-T527 PolarHBondContact O-OG1 3.03Å
524	L	93.9	Very high	88.4	Confident	96 Å²	96	51.8 Å²	51.8	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-56	-41.9	177.9	-176.2	65.4	0	0	0	112.9	F239 F520 A528	F239-L524 HydrophobicContact CE2-CD1 4.48Å; F239-L524 HydrophobicContact CZ-CD1 4.46Å; F520-L524 PolarHBondContact O-N 3.01Å; L524-A528 PolarHBondContact O-N 3.17Å
525	I	93.4	Very high	89	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-73.6	-36.4	176.4	-67.2	-175.5	0	0	0	111.9	F510 K521 A522 L523 T527 A528 V529	F510-I525 HydrophobicContact CD1-CD1 3.99Å; F510-I525 HydrophobicContact CE1-CD1 3.25Å; F510-I525 HydrophobicContact CE1-CG1 4.43Å; F510-I525 HydrophobicContact CE2-CD1 4.03Å; F510-I525 HydrophobicContact CZ-CD1 3.28Å; K521-I525 PolarHBondContact O-N 2.85Å; A522-I525 PolarHBondContact O-N 3.4Å; L523-I525 VanDerWaalsContact C-N 3.3Å; L523-I525 PolarHBondContact O-N 2.94Å; I525-T527 VanDerWaalsContact C-N 3.33Å; I525-T527 PolarHBondContact O-N 3.17Å; I525-A528 PolarHBondContact O-N 3.48Å; I525-V529 HydrophobicContact CG2-CG2 4.38Å; I525-V529 WeakPolarHBondContact O-CG2 3.45Å; I525-V529 PolarHBondContact O-N 3.39Å
526	T	94	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-45.5	174.8	-54.6	0	0	0	0	110.4	Y183 A187 L488 A491 P492 A522 L523 V529 A530	Y183-T526 WeakPolarHBondContact OH-CA 3.28Å; A187-T526 HydrophobicContact CB-CG2 4.26Å; L488-T526 HydrophobicContact CD1-CG2 3.93Å; A491-T526 HydrophobicContact CB-CG2 3.65Å; P492-T526 HydrophobicContact CG-CG2 4.22Å; A522-T526 WeakPolarHBondContact O-CB 3.48Å; A522-T526 PolarHBondContact O-N 3.31Å; A522-T526 PolarHBondContact O-OG1 2.97Å; L523-T526 WeakPolarHBondContact O-CB 3.46Å; L523-T526 PolarHBondContact O-N 3.47Å; L523-T526 VanDerWaalsContact O-N 3.09Å; T526-V529 PolarHBondContact O-N 3.03Å; T526-A530 WeakPolarHBondContact O-CB 3.34Å; T526-A530 PolarHBondContact O-N 2.88Å
527	T	94.7	Very high	90.1	Very high	22 Å²	22	38 Å²	38	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-44.2	173.3	-64.6	0	0	0	0	111.7	L235 F239 L523 I525 V529 A530 E531	L235-T527 HydrophobicContact CD1-CG2 4.36Å; L235-T527 HydrophobicContact CD2-CG2 4.03Å; L235-T527 HydrophobicContact CG-CG2 3.99Å; F239-T527 HydrophobicContact CB-CG2 4.39Å; F239-T527 HydrophobicContact CD2-CG2 4.27Å; F239-T527 WeakPolarHBondContact CD2-OG1 3.21Å; F239-T527 HydrophobicContact CG-CG2 4.47Å; L523-T527 PolarHBondContact O-N 2.84Å; L523-T527 PolarHBondContact O-OG1 3.03Å; I525-T527 VanDerWaalsContact C-N 3.33Å; I525-T527 PolarHBondContact O-N 3.17Å; T527-V529 VanDerWaalsContact C-N 3.35Å; T527-V529 PolarHBondContact O-N 3.28Å; T527-A530 PolarHBondContact O-N 3.32Å; T527-E531 WeakPolarHBondContact O-CB 3.41Å; T527-E531 PolarHBondContact O-N 2.97Å
528	A	95.6	Very high	90.7	Very high	54 Å²	54	37 Å²	37	45%	0.446	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-36.5	176.2	0	0	0	0	0	113.4	L524 I525 C532	L524-A528 PolarHBondContact O-N 3.17Å; I525-A528 PolarHBondContact O-N 3.48Å; A528-C532 PolarHBondContact O-N 2.97Å; A528-C532 PolarHBondContact O-SG 3.39Å; A528-C532 VanDerWaalsContact O-SG 3.32Å
529	V	94.9	Very high	91.2	Very high	29 Å²	29	36 Å²	36	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-41.2	175	171.8	0	0	0	0	111.3	F184 A187 F188 I525 T526 T527 C532 A533	F184-V529 HydrophobicContact CD1-CG1 4.18Å; F184-V529 HydrophobicContact CE1-CG1 4.33Å; A187-V529 HydrophobicContact CB-CB 4.39Å; A187-V529 HydrophobicContact CB-CG1 3.8Å; F188-V529 HydrophobicContact CZ-CG1 4.43Å; I525-V529 HydrophobicContact CG2-CG2 4.38Å; I525-V529 WeakPolarHBondContact O-CG2 3.45Å; I525-V529 PolarHBondContact O-N 3.39Å; T526-V529 PolarHBondContact O-N 3.03Å; T527-V529 VanDerWaalsContact C-N 3.35Å; T527-V529 PolarHBondContact O-N 3.28Å; V529-C532 PolarHBondContact O-N 3.01Å; V529-A533 PolarHBondContact O-N 3.39Å
530	A	95	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-42.5	175.1	0	0	0	0	0	111.7	S191 L235 T526 T527 C532 A533 I534	S191-A530 WeakPolarHBondContact CB-O 3.28Å; L235-A530 HydrophobicContact CD1-CB 4.14Å; L235-A530 HydrophobicContact CD2-CB 3.94Å; T526-A530 WeakPolarHBondContact O-CB 3.34Å; T526-A530 PolarHBondContact O-N 2.88Å; T527-A530 PolarHBondContact O-N 3.32Å; A530-C532 PolarHBondContact O-N 3.45Å; A530-A533 CarbonylContact O-C 3.42Å; A530-A533 WeakPolarHBondContact O-CA 3.35Å; A530-A533 WeakPolarHBondContact O-CB 3.46Å; A530-A533 PolarHBondContact O-N 2.96Å; A530-I534 WeakPolarHBondContact O-CG1 3.27Å; A530-I534 PolarHBondContact O-N 3.04Å
531	E	95.3	Very high	91.3	Very high	54 Å²	54	38.1 Å²	38.1	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-59.1	-47.6	176.4	-176.6	63.7	-165.1	0	0	111.5	S232 L235 T527 A533 I534 L535	S232-E531 WeakPolarHBondContact CB-OE1 3.44Å; S232-E531 WeakPolarHBondContact CB-OE2 3.34Å; S232-E531 VanDerWaalsContact OG-CD 3.27Å; S232-E531 PolarHBondContact OG-OE1 2.95Å; S232-E531 PolarHBondContact OG-OE2 2.89Å; L235-E531 HydrophobicContact CD2-CB 3.97Å; T527-E531 WeakPolarHBondContact O-CB 3.41Å; T527-E531 PolarHBondContact O-N 2.97Å; E531-A533 PolarHBondContact O-N 3.27Å; E531-A533 VanDerWaalsContact O-N 3.08Å; E531-I534 PolarHBondContact O-N 2.69Å; E531-L535 WeakPolarHBondContact O-CG 3.46Å; E531-L535 PolarHBondContact O-N 2.8Å
532	C	94.2	Very high	91.3	Very high	91 Å²	91	34.7 Å²	34.7	62%	0.615	19%	0.189	S	C	*	.	H	α-helix	trans	-55.4	-28.2	174.6	-73.9	0	0	0	0	113.5	A528 V529 A530	A528-C532 PolarHBondContact O-N 2.97Å; A528-C532 PolarHBondContact O-SG 3.39Å; A528-C532 VanDerWaalsContact O-SG 3.32Å; V529-C532 PolarHBondContact O-N 3.01Å; A530-C532 PolarHBondContact O-N 3.45Å
533	A	92.9	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-86.2	-35.6	175.5	0	0	0	0	0	113	F188 S191 V529 A530 E531 L535 I536 I542	F188-A533 HydrophobicContact CD1-CB 3.48Å; F188-A533 VanDerWaalsContact CD1-CB 3.48Å; F188-A533 HydrophobicContact CE1-CB 3.73Å; S191-A533 WeakPolarHBondContact OG-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.39Å; A530-A533 CarbonylContact O-C 3.42Å; A530-A533 WeakPolarHBondContact O-CA 3.35Å; A530-A533 WeakPolarHBondContact O-CB 3.46Å; A530-A533 PolarHBondContact O-N 2.96Å; E531-A533 PolarHBondContact O-N 3.27Å; E531-A533 VanDerWaalsContact O-N 3.08Å; A533-L535 PolarHBondContact O-N 3.4Å; A533-I536 VanDerWaalsContact O-CB 3.31Å; A533-I536 WeakPolarHBondContact O-CB 3.48Å; A533-I536 WeakPolarHBondContact O-CG1 3.31Å; A533-I536 PolarHBondContact O-N 3.06Å; A533-I536 VanDerWaalsContact O-N 3.14Å; A533-I542 WeakPolarHBondContact O-CD1 3.3Å
534	I	94.1	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-38.6	171.3	-71.6	176.5	0	0	0	110.7	L194 V195 A231 L235 A530 E531 I536 G537	L194-I534 HydrophobicContact CB-CD1 4.49Å; L194-I534 HydrophobicContact CD1-CD1 4.05Å; V195-I534 HydrophobicContact CG2-CG1 4.34Å; A231-I534 HydrophobicContact CB-CD1 4.11Å; A231-I534 HydrophobicContact CB-CG1 4.33Å; A231-I534 HydrophobicContact CB-CG2 3.56Å; L235-I534 HydrophobicContact CB-CD1 3.84Å; L235-I534 HydrophobicContact CD2-CD1 3.69Å; L235-I534 HydrophobicContact CG-CD1 4.3Å; A530-I534 WeakPolarHBondContact O-CG1 3.27Å; A530-I534 PolarHBondContact O-N 3.04Å; E531-I534 PolarHBondContact O-N 2.69Å; I534-I536 PolarHBondContact O-N 3.27Å; I534-G537 WeakPolarHBondContact O-CA 3.24Å; I534-G537 PolarHBondContact O-N 3.14Å
535	L	92.4	Very high	90.7	Very high	95 Å²	95	32.8 Å²	32.8	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.8	177.9	-69.4	176	0	0	0	114.2	R228 E531 A533 G537	R228-L535 PolarHBondContact NE-O 3.29Å; R228-L535 PolarHBondContact NH2-O 2.93Å; E531-L535 WeakPolarHBondContact O-CG 3.46Å; E531-L535 PolarHBondContact O-N 2.8Å; A533-L535 PolarHBondContact O-N 3.4Å; L535-G537 VanDerWaalsContact C-N 3.31Å
536	I	88.2	Confident	90.6	Very high	70 Å²	70	29.9 Å²	29.9	36%	0.359	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-43.8	169.4	-60.4	171.9	0	0	0	109.6	R228 A533 I534 I542	R228-I536 PolarHBondContact NH2-O 2.66Å; A533-I536 VanDerWaalsContact O-CB 3.31Å; A533-I536 WeakPolarHBondContact O-CB 3.48Å; A533-I536 WeakPolarHBondContact O-CG1 3.31Å; A533-I536 PolarHBondContact O-N 3.06Å; A533-I536 VanDerWaalsContact O-N 3.14Å; I534-I536 PolarHBondContact O-N 3.27Å; I536-I542 HydrophobicContact CB-CD1 4.49Å; I536-I542 HydrophobicContact CB-CG1 4.14Å; I536-I542 HydrophobicContact CD1-CG1 4.21Å; I536-I542 HydrophobicContact CG2-CG1 4.26Å
537	G	78.2	Confident	90.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.			trans	91.4	-12.8	168.3	0	0	0	0	0	116.6	F224 F227 I534 L535	F224-G537 WeakPolarHBondContact CD1-O 3.22Å; F227-G537 WeakPolarHBondContact CD2-O 3.37Å; I534-G537 WeakPolarHBondContact O-CA 3.24Å; I534-G537 PolarHBondContact O-N 3.14Å; L535-G537 VanDerWaalsContact C-N 3.31Å
538	G	82.2	Confident	90.2	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	16%	0.163	C	C	.	.			trans	-126.9	126.8	-179.9	0	0	0	0	0	112.9	D540 Y541 I542	G538-D540 VanDerWaalsContact C-N 3.29Å; G538-D540 PolarHBondContact O-N 2.75Å; G538-Y541 PolarHBondContact O-N 3.16Å; G538-I542 WeakPolarHBondContact O-CG1 3.25Å; G538-I542 PolarHBondContact O-N 2.86Å
539	I	87.8	Confident	90	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-38.2	-176.9	-171.2	175.9	0	0	0	112.8	V112 M192 V195 E199 Y541 I542 A543	V112-I539 HydrophobicContact CG1-CD1 3.81Å; M192-I539 HydrophobicContact CG-CD1 4.21Å; M192-I539 HydrophobicContact CG-CG1 3.82Å; V195-I539 HydrophobicContact CG1-CB 4.24Å; E199-I539 WeakPolarHBondContact OE2-CG2 3.34Å; I539-Y541 PolarHBondContact O-N 2.94Å; I539-I542 PolarHBondContact O-N 2.95Å; I539-I542 VanDerWaalsContact O-N 3.1Å; I539-A543 WeakPolarHBondContact O-CB 3.5Å; I539-A543 PolarHBondContact O-N 2.78Å
540	D	88.4	Confident	89.8	Confident	12 Å²	12	27.1 Å²	27.1	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-70.2	-18.2	-176.8	-55	-68.9	0	0	0	113.1	R117 I381 I391 K450 G538 P544	R117-D540 IonicContact CZ-OD1 3.64Å; R117-D540 IonicContact CZ-OD2 2.72Å; R117-D540 IonicContact NE-OD1 3.36Å; R117-D540 PolarHBondContact NE-OD1 2.73Å; R117-D540 IonicContact NE-OD2 3.25Å; R117-D540 PolarHBondContact NE-OD2 2.98Å; R117-D540 IonicContact NH2-OD1 2.9Å; R117-D540 IonicContact NH2-OD2 2.75Å; R117-D540 PolarHBondContact NH2-OD2 3.06Å; I381-D540 HydrophobicContact CD1-CB 4.27Å; I391-D540 HydrophobicContact CD1-CB 4.23Å; K450-D540 WeakPolarHBondContact CE-OD2 3.49Å; K450-D540 IonicContact NZ-OD1 3.39Å; K450-D540 IonicContact NZ-OD2 2.78Å; K450-D540 PolarHBondContact NZ-OD2 2.92Å; G538-D540 VanDerWaalsContact C-N 3.29Å; G538-D540 PolarHBondContact O-N 2.75Å; D540-P544 WeakPolarHBondContact O-CD 3.37Å
541	Y	88.2	Confident	89.7	Confident	132 Å²	132	27.1 Å²	27.1	52%	0.518	14%	0.14	S	C	.	.	H	α-helix	trans	-90.6	-27.3	170.6	-60.2	-67.4	0	0	0	112.8	G538 I539	G538-Y541 PolarHBondContact O-N 3.16Å; I539-Y541 PolarHBondContact O-N 2.94Å
542	I	90.8	Very high	89.6	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-78.3	-38.8	177.9	-62.2	166.2	0	0	0	110.5	M192 V195 A533 I536 G538 I539 V545 V546	M192-I542 HydrophobicContact CB-CG2 3.89Å; M192-I542 HydrophobicContact CG-CG2 4.49Å; V195-I542 HydrophobicContact CB-CD1 4.45Å; V195-I542 HydrophobicContact CG2-CD1 4.01Å; A533-I542 WeakPolarHBondContact O-CD1 3.3Å; I536-I542 HydrophobicContact CB-CD1 4.49Å; I536-I542 HydrophobicContact CB-CG1 4.14Å; I536-I542 HydrophobicContact CD1-CG1 4.21Å; I536-I542 HydrophobicContact CG2-CG1 4.26Å; G538-I542 WeakPolarHBondContact O-CG1 3.25Å; G538-I542 PolarHBondContact O-N 2.86Å; I539-I542 PolarHBondContact O-N 2.95Å; I539-I542 VanDerWaalsContact O-N 3.1Å; I542-V545 WeakPolarHBondContact O-CB 3.4Å; I542-V545 PolarHBondContact O-N 2.96Å; I542-V546 HydrophobicContact CG2-CG2 4.11Å; I542-V546 PolarHBondContact O-N 2.75Å
543	A	89.9	Confident	89.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-45.8	-175.6	0	0	0	0	0	114	M192 P394 I539 V545 V546 D547	M192-A543 HydrophobicContact SD-CB 4.04Å; P394-A543 HydrophobicContact CG-CB 4.15Å; P394-A543 WeakPolarHBondContact CG-O 3.48Å; I539-A543 WeakPolarHBondContact O-CB 3.5Å; I539-A543 PolarHBondContact O-N 2.78Å; A543-V545 VanDerWaalsContact C-N 3.3Å; A543-V545 PolarHBondContact O-N 3.5Å; A543-V546 WeakPolarHBondContact O-CB 3.48Å; A543-V546 PolarHBondContact O-N 3.43Å; A543-D547 PolarHBondContact O-N 2.84Å
544	P	87.4	Confident	89.5	Confident	11 Å²	11	20.8 Å²	20.8	7%	0.071	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-33.2	173.3	-25.3	35.8	0	0	0	113.8	A390 D540 D547 F548	A390-P544 HydrophobicContact CB-CB 4.19Å; A390-P544 HydrophobicContact CB-CG 4.22Å; D540-P544 WeakPolarHBondContact O-CD 3.37Å; P544-D547 WeakPolarHBondContact O-CB 3.43Å; P544-D547 PolarHBondContact O-N 3.3Å; P544-F548 WeakPolarHBondContact O-CD2 3.49Å; P544-F548 PolarHBondContact O-N 3.46Å; P544-F548 VanDerWaalsContact O-N 3.1Å
545	V	88	Confident	89.5	Confident	52 Å²	52	21.1 Å²	21.1	32%	0.315	10%	0.104	S	C	.	.	H	α-helix	trans	-68.3	-39.8	176.7	-179.9	0	0	0	0	110.8	F188 I542 A543 F549	F188-V545 HydrophobicContact CD1-CG1 4.31Å; F188-V545 HydrophobicContact CE1-CG1 4.42Å; F188-V545 HydrophobicContact CG-CG1 4.46Å; I542-V545 WeakPolarHBondContact O-CB 3.4Å; I542-V545 PolarHBondContact O-N 2.96Å; A543-V545 VanDerWaalsContact C-N 3.3Å; A543-V545 PolarHBondContact O-N 3.5Å; V545-F549 HydrophobicContact CG1-CD2 4.42Å; V545-F549 HydrophobicContact CG1-CE2 3.97Å; V545-F549 WeakPolarHBondContact O-CD2 3.42Å
546	V	91	Very high	89.5	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.1	-44.7	172.8	174.3	0	0	0	0	111	F188 A189 M192 P394 I542 A543 F549 F550	F188-V546 VanDerWaalsContact C-CG2 3.48Å; F188-V546 HydrophobicContact CB-CG2 3.66Å; F188-V546 WeakPolarHBondContact O-CG2 3.36Å; A189-V546 HydrophobicContact CB-CG1 4.23Å; M192-V546 HydrophobicContact CB-CG2 4.32Å; M192-V546 HydrophobicContact SD-CG2 4.5Å; P394-V546 HydrophobicContact CB-CG1 4.16Å; P394-V546 HydrophobicContact CG-CB 4.28Å; P394-V546 HydrophobicContact CG-CG1 4.14Å; I542-V546 HydrophobicContact CG2-CG2 4.11Å; I542-V546 PolarHBondContact O-N 2.75Å; A543-V546 WeakPolarHBondContact O-CB 3.48Å; A543-V546 PolarHBondContact O-N 3.43Å; V546-F549 PolarHBondContact O-N 3.14Å; V546-F550 HydrophobicContact CG1-CD2 3.64Å; V546-F550 HydrophobicContact CG1-CE2 3.6Å; V546-F550 WeakPolarHBondContact O-CD2 3.46Å; V546-F550 PolarHBondContact O-N 2.72Å
547	D	90.6	Very high	89.7	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-51.3	176.6	-179.9	38	0	0	0	112.2	Y393 P394 A543 P544 F549 F550 L551	Y393-D547 WeakPolarHBondContact CB-OD1 3.41Å; Y393-D547 WeakPolarHBondContact CD1-OD1 3.34Å; P394-D547 HydrophobicContact CG-CB 4.46Å; A543-D547 PolarHBondContact O-N 2.84Å; P544-D547 WeakPolarHBondContact O-CB 3.43Å; P544-D547 PolarHBondContact O-N 3.3Å; D547-F549 VanDerWaalsContact C-N 3.32Å; D547-F549 PolarHBondContact O-N 3.16Å; D547-F550 PolarHBondContact O-N 3.45Å; D547-F550 VanDerWaalsContact O-N 3.12Å; D547-L551 WeakPolarHBondContact O-CB 3.48Å; D547-L551 PolarHBondContact O-N 3.11Å; D547-L551 WeakPolarHBondContact OD1-CD1 3.35Å; D547-L551 VanDerWaalsContact OD1-CG 3.3Å; D547-L551 WeakPolarHBondContact OD1-CG 3.33Å; D547-L551 WeakPolarHBondContact OD2-CD1 3.34Å
548	F	89.2	Confident	90.5	Very high	12 Å²	12	14.6 Å²	14.6	5%	0.053	7%	0.069	C	C	.	.	H	α-helix	trans	-53.5	-43.1	178.6	-79.7	-66.6	0	0	0	113.9	P544 M552 M595 T598 H599 Y602 A603	P544-F548 WeakPolarHBondContact O-CD2 3.49Å; P544-F548 PolarHBondContact O-N 3.46Å; P544-F548 VanDerWaalsContact O-N 3.1Å; F548-M552 WeakPolarHBondContact O-CB 3.49Å; F548-M552 PolarHBondContact O-N 3.49Å; F548-M552 VanDerWaalsContact O-N 3.1Å; F548-M595 HydrophobicContact CD1-CG 3.61Å; F548-M595 HydrophobicContact CD1-SD 4.42Å; F548-M595 HydrophobicContact CE1-CG 3.71Å; F548-M595 WeakPolarHBondContact CE1-O 3.38Å; F548-T598 HydrophobicContact CE2-CG2 4.26Å; F548-T598 HydrophobicContact CZ-CG2 3.91Å; F548-H599 HydrophobicContact CE2-CB 4.29Å; F548-H599 HydrophobicContact CZ-CB 3.71Å; F548-Y602 HydrophobicContact CE2-CD2 4.27Å; F548-A603 HydrophobicContact CE1-CB 4.36Å
549	F	90.8	Very high	91	Very high	35 Å²	35	18.1 Å²	18.1	15%	0.154	9%	0.087	C	C	.	.	H	α-helix	trans	-71.5	-37.3	179.7	-70.5	-68.7	0	0	0	112.6	L181 F184 A185 F188 V545 V546 D547 C553	L181-F549 HydrophobicContact CD2-CD1 4.02Å; F184-F549 HydrophobicContact CB-CD1 3.93Å; F184-F549 HydrophobicContact CB-CD2 4.36Å; F184-F549 HydrophobicContact CB-CE1 3.93Å; F184-F549 HydrophobicContact CB-CE2 4.37Å; F184-F549 HydrophobicContact CB-CG 4.17Å; F184-F549 HydrophobicContact CB-CZ 4.16Å; F184-F549 HydrophobicContact CG-CE1 4.41Å; A185-F549 HydrophobicContact CB-CB 3.74Å; F188-F549 AromaticContact CD2-CD2 3.73Å; F188-F549 HydrophobicContact CD2-CD2 3.73Å; F188-F549 AromaticContact CD2-CE2 3.47Å; F188-F549 HydrophobicContact CD2-CE2 3.47Å; F188-F549 VanDerWaalsContact CD2-CE2 3.47Å; F188-F549 HydrophobicContact CD2-CZ 4.35Å; F188-F549 HydrophobicContact CE2-CD2 4.1Å; F188-F549 AromaticContact CE2-CE2 3.36Å; F188-F549 HydrophobicContact CE2-CE2 3.36Å; F188-F549 AromaticContact CE2-CZ 3.88Å; F188-F549 HydrophobicContact CE2-CZ 3.88Å; F188-F549 HydrophobicContact CG-CE2 4.48Å; F188-F549 HydrophobicContact CZ-CE2 4.28Å; V545-F549 HydrophobicContact CG1-CD2 4.42Å; V545-F549 HydrophobicContact CG1-CE2 3.97Å; V545-F549 WeakPolarHBondContact O-CD2 3.42Å; V546-F549 PolarHBondContact O-N 3.14Å; D547-F549 VanDerWaalsContact C-N 3.32Å; D547-F549 PolarHBondContact O-N 3.16Å; F549-C553 VanDerWaalsContact O-CB 3.25Å; F549-C553 WeakPolarHBondContact O-CB 3.48Å; F549-C553 PolarHBondContact O-N 3.48Å; F549-C553 VanDerWaalsContact O-N 3.09Å
550	F	92	Very high	91.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.6	-47.1	175.9	-81.1	-63.1	0	0	0	112.4	Y182 A185 A189 T397 V546 D547 M552 C553 Y554	Y182-F550 AromaticContact CD2-CE1 3.96Å; Y182-F550 HydrophobicContact CD2-CE1 3.96Å; Y182-F550 AromaticContact CE2-CE1 3.93Å; Y182-F550 HydrophobicContact CE2-CE1 3.93Å; A185-F550 HydrophobicContact CB-CD1 3.85Å; A185-F550 HydrophobicContact CB-CD2 3.94Å; A185-F550 HydrophobicContact CB-CE1 3.72Å; A185-F550 HydrophobicContact CB-CE2 3.82Å; A185-F550 HydrophobicContact CB-CG 3.96Å; A185-F550 HydrophobicContact CB-CZ 3.71Å; A189-F550 HydrophobicContact CB-CE2 4.36Å; T397-F550 HydrophobicContact CG2-CB 3.85Å; T397-F550 HydrophobicContact CG2-CD1 4.22Å; T397-F550 HydrophobicContact CG2-CD2 3.55Å; T397-F550 HydrophobicContact CG2-CE2 4.1Å; T397-F550 HydrophobicContact CG2-CG 3.62Å; V546-F550 HydrophobicContact CG1-CD2 3.64Å; V546-F550 HydrophobicContact CG1-CE2 3.6Å; V546-F550 WeakPolarHBondContact O-CD2 3.46Å; V546-F550 PolarHBondContact O-N 2.72Å; D547-F550 PolarHBondContact O-N 3.45Å; D547-F550 VanDerWaalsContact O-N 3.12Å; F550-M552 VanDerWaalsContact C-N 3.33Å; F550-M552 PolarHBondContact O-N 2.81Å; F550-C553 WeakPolarHBondContact O-CB 3.35Å; F550-C553 PolarHBondContact O-N 2.89Å; F550-Y554 HydrophobicContact CB-CE2 4.32Å; F550-Y554 AromaticContact CD1-CE1 3.93Å; F550-Y554 HydrophobicContact CD1-CE1 3.93Å; F550-Y554 AromaticContact CD1-CZ 3.76Å; F550-Y554 WeakPolarHBondContact CD1-OH 3.33Å; F550-Y554 WeakPolarHBondContact O-CB 3.43Å; F550-Y554 WeakPolarHBondContact O-CD1 3.4Å; F550-Y554 PolarHBondContact O-N 3.12Å
551	L	93	Very high	91.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-44.4	175.8	-76.4	170.9	0	0	0	111.9	Y393 D547 Y554 C555 C591 I594 M595	Y393-L551 HydrophobicContact CD1-CG 4.45Å; Y393-L551 HydrophobicContact CD2-CD2 4.44Å; Y393-L551 HydrophobicContact CE1-CD2 3.94Å; Y393-L551 HydrophobicContact CE1-CG 4.08Å; Y393-L551 HydrophobicContact CE2-CD2 3.81Å; D547-L551 WeakPolarHBondContact O-CB 3.48Å; D547-L551 PolarHBondContact O-N 3.11Å; D547-L551 WeakPolarHBondContact OD1-CD1 3.35Å; D547-L551 VanDerWaalsContact OD1-CG 3.3Å; D547-L551 WeakPolarHBondContact OD1-CG 3.33Å; D547-L551 WeakPolarHBondContact OD2-CD1 3.34Å; L551-Y554 PolarHBondContact O-N 3.42Å; L551-C555 WeakPolarHBondContact O-CB 3.41Å; L551-C555 PolarHBondContact O-N 3.34Å; L551-C591 HydrophobicContact CD2-CB 4.37Å; L551-I594 HydrophobicContact CD1-CB 4.18Å; L551-I594 HydrophobicContact CD1-CG2 3.64Å; L551-I594 HydrophobicContact CD2-CB 4.17Å; L551-I594 HydrophobicContact CD2-CD1 4.35Å; L551-I594 HydrophobicContact CD2-CG2 4.18Å; L551-M595 HydrophobicContact CB-CB 4.44Å; L551-M595 HydrophobicContact CD1-CB 4.04Å
552	M	91.5	Very high	91.8	Very high	10 Å²	10	11.7 Å²	11.7	5%	0.049	6%	0.062	C	C	.	.	H	α-helix	trans	-67.5	-41.1	178.9	-161.3	70.8	-160.5	0	0	111.8	L181 F548 F550 C555 F556 M595 V606 C610	L181-M552 HydrophobicContact CD1-CB 4.25Å; L181-M552 HydrophobicContact CD1-CG 3.95Å; F548-M552 WeakPolarHBondContact O-CB 3.49Å; F548-M552 PolarHBondContact O-N 3.49Å; F548-M552 VanDerWaalsContact O-N 3.1Å; F550-M552 VanDerWaalsContact C-N 3.33Å; F550-M552 PolarHBondContact O-N 2.81Å; M552-C555 PolarHBondContact O-N 3.43Å; M552-F556 HydrophobicContact CE-CD2 3.95Å; M552-F556 HydrophobicContact CE-CE2 3.27Å; M552-F556 HydrophobicContact CE-CZ 3.74Å; M552-F556 HydrophobicContact CG-CD2 4.07Å; M552-F556 HydrophobicContact CG-CE2 3.91Å; M552-F556 WeakPolarHBondContact O-CD2 3.44Å; M552-F556 PolarHBondContact O-N 3.17Å; M552-F556 HydrophobicContact SD-CE2 4.41Å; M552-M595 HydrophobicContact CB-SD 4.33Å; M552-M595 HydrophobicContact SD-CE 3.67Å; M552-M595 HydrophobicContact SD-SD 3.7Å; M552-M595 VanDerWaalsContact SD-SD 3.7Å; M552-V606 HydrophobicContact CB-CG1 4.19Å; M552-V606 HydrophobicContact CG-CG1 3.93Å; M552-V606 HydrophobicContact SD-CG1 4.4Å; M552-C610 HydrophobicContact CE-CB 4.45Å
553	C	92	Very high	91.8	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-57.3	-48.8	173.4	177.8	0	0	0	0	111.5	L181 F549 F550 F556 V557	L181-C553 HydrophobicContact CB-CB 4.26Å; F549-C553 VanDerWaalsContact O-CB 3.25Å; F549-C553 WeakPolarHBondContact O-CB 3.48Å; F549-C553 PolarHBondContact O-N 3.48Å; F549-C553 VanDerWaalsContact O-N 3.09Å; F550-C553 WeakPolarHBondContact O-CB 3.35Å; F550-C553 PolarHBondContact O-N 2.89Å; C553-F556 PolarHBondContact O-N 3.28Å; C553-V557 WeakPolarHBondContact O-CG2 3.18Å; C553-V557 PolarHBondContact O-N 3.3Å; C553-V557 VanDerWaalsContact O-N 3.13Å
554	Y	94	Very high	91.8	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-68.8	-38.5	-179	-61.9	-5.9	0	0	0	111.3	T141 T144 Y393 G398 I399 F400 F550 L551 F556 V557 N558	T141-Y554 HydrophobicContact CG2-CD2 4.4Å; T141-Y554 HydrophobicContact CG2-CE2 3.94Å; T144-Y554 HydrophobicContact CG2-CD1 4.13Å; T144-Y554 HydrophobicContact CG2-CD2 4.49Å; T144-Y554 HydrophobicContact CG2-CG 3.88Å; Y393-Y554 HydrophobicContact CE1-CD2 4.49Å; Y393-Y554 HydrophobicContact CE1-CE2 4.24Å; Y393-Y554 WeakPolarHBondContact OH-CD2 3.34Å; G398-Y554 PolarHBondContact N-OH 3.26Å; I399-Y554 HydrophobicContact CD1-CE1 4.24Å; I399-Y554 HydrophobicContact CD1-CE2 4.24Å; I399-Y554 HydrophobicContact CG1-CE1 4.23Å; F400-Y554 HydrophobicContact CD2-CD1 4.41Å; F400-Y554 AromaticContact CD2-CE1 3.85Å; F400-Y554 HydrophobicContact CD2-CE1 3.85Å; F400-Y554 AromaticContact CE2-CD1 3.84Å; F400-Y554 HydrophobicContact CE2-CD1 3.84Å; F400-Y554 AromaticContact CE2-CE1 3.75Å; F400-Y554 HydrophobicContact CE2-CE1 3.75Å; F550-Y554 HydrophobicContact CB-CE2 4.32Å; F550-Y554 AromaticContact CD1-CE1 3.93Å; F550-Y554 HydrophobicContact CD1-CE1 3.93Å; F550-Y554 AromaticContact CD1-CZ 3.76Å; F550-Y554 WeakPolarHBondContact CD1-OH 3.33Å; F550-Y554 WeakPolarHBondContact O-CB 3.43Å; F550-Y554 WeakPolarHBondContact O-CD1 3.4Å; F550-Y554 PolarHBondContact O-N 3.12Å; L551-Y554 PolarHBondContact O-N 3.42Å; Y554-F556 PolarHBondContact O-N 3.37Å; Y554-V557 PolarHBondContact O-N 3.42Å; Y554-N558 VanDerWaalsContact O-CB 3.28Å; Y554-N558 WeakPolarHBondContact O-CB 3.38Å; Y554-N558 VanDerWaalsContact O-CG 3.29Å; Y554-N558 PolarHBondContact O-N 2.73Å; Y554-N558 PolarHBondContact O-ND2 2.96Å
555	C	93.8	Very high	91.9	Very high	6 Å²	6	18 Å²	18	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-56.4	-49.6	172.5	-178.2	0	0	0	0	111.9	L551 M552 N558 L559 C591 L592	L551-C555 WeakPolarHBondContact O-CB 3.41Å; L551-C555 PolarHBondContact O-N 3.34Å; M552-C555 PolarHBondContact O-N 3.43Å; C555-N558 PolarHBondContact O-N 3.41Å; C555-L559 VanDerWaalsContact O-CB 3.24Å; C555-L559 WeakPolarHBondContact O-CB 3.47Å; C555-L559 PolarHBondContact O-N 3.26Å; C555-C591 HydrophobicContact CB-CB 3.72Å; C555-L592 VanDerWaalsContact SG-CD2 3.55Å
556	F	91.7	Very high	92	Very high	29 Å²	29	21.4 Å²	21.4	13%	0.127	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-47.2	178.1	-88.3	-67.6	0	0	0	112.3	V178 L181 M552 C553 Y554 N558 L559 V560 C610	V178-F556 HydrophobicContact CG2-CB 3.71Å; V178-F556 HydrophobicContact CG2-CG 4.45Å; L181-F556 HydrophobicContact CD1-CD2 3.75Å; L181-F556 HydrophobicContact CD1-CE2 3.99Å; M552-F556 HydrophobicContact CE-CD2 3.95Å; M552-F556 HydrophobicContact CE-CE2 3.27Å; M552-F556 HydrophobicContact CE-CZ 3.74Å; M552-F556 HydrophobicContact CG-CD2 4.07Å; M552-F556 HydrophobicContact CG-CE2 3.91Å; M552-F556 WeakPolarHBondContact O-CD2 3.44Å; M552-F556 PolarHBondContact O-N 3.17Å; M552-F556 HydrophobicContact SD-CE2 4.41Å; C553-F556 PolarHBondContact O-N 3.28Å; Y554-F556 PolarHBondContact O-N 3.37Å; F556-N558 VanDerWaalsContact C-N 3.3Å; F556-N558 PolarHBondContact O-N 3.06Å; F556-L559 PolarHBondContact O-N 3.32Å; F556-V560 WeakPolarHBondContact O-CB 3.44Å; F556-V560 WeakPolarHBondContact O-CG2 3.49Å; F556-V560 PolarHBondContact O-N 3.37Å; F556-C610 HydrophobicContact CE2-CB 3.46Å; F556-C610 VanDerWaalsContact CE2-CB 3.46Å; F556-C610 HydrophobicContact CZ-CB 3.59Å
557	V	93	Very high	91.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-44.9	179.5	167.6	0	0	0	0	111.1	I148 I151 V178 F400 C553 Y554 C561	I148-V557 HydrophobicContact CG1-CG1 4.41Å; I151-V557 HydrophobicContact CD1-CG1 3.9Å; V178-V557 HydrophobicContact CG1-CG2 3.81Å; V178-V557 HydrophobicContact CG2-CG2 4.38Å; F400-V557 HydrophobicContact CZ-CG1 4.25Å; F400-V557 HydrophobicContact CZ-CG2 3.94Å; C553-V557 WeakPolarHBondContact O-CG2 3.18Å; C553-V557 PolarHBondContact O-N 3.3Å; C553-V557 VanDerWaalsContact O-N 3.13Å; Y554-V557 PolarHBondContact O-N 3.42Å; V557-C561 PolarHBondContact O-N 2.87Å; V557-C561 PolarHBondContact O-SG 3.15Å
558	N	95.3	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-48.2	176.3	-78.2	-34.6	0	0	0	112.5	T144 S147 Y554 C555 F556 V560 A562 S584 A588	T144-N558 PolarHBondContact OG1-ND2 2.87Å; S147-N558 VanDerWaalsContact CB-OD1 3.26Å; S147-N558 WeakPolarHBondContact CB-OD1 3.48Å; S147-N558 PolarHBondContact OG-OD1 2.92Å; Y554-N558 VanDerWaalsContact O-CB 3.28Å; Y554-N558 WeakPolarHBondContact O-CB 3.38Å; Y554-N558 VanDerWaalsContact O-CG 3.29Å; Y554-N558 PolarHBondContact O-N 2.73Å; Y554-N558 PolarHBondContact O-ND2 2.96Å; C555-N558 PolarHBondContact O-N 3.41Å; F556-N558 VanDerWaalsContact C-N 3.3Å; F556-N558 PolarHBondContact O-N 3.06Å; N558-V560 PolarHBondContact O-N 3.42Å; N558-A562 PolarHBondContact O-N 2.89Å; N558-S584 WeakPolarHBondContact CB-O 3.42Å; N558-S584 WeakPolarHBondContact O-CB 3.46Å; N558-A588 HydrophobicContact CB-CB 3.79Å
559	L	93.3	Very high	90.7	Very high	78 Å²	78	36 Å²	36	41%	0.408	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-43.5	-179.2	-179.9	62.6	0	0	0	112.2	C555 F556 A562 L563 A588	C555-L559 VanDerWaalsContact O-CB 3.24Å; C555-L559 WeakPolarHBondContact O-CB 3.47Å; C555-L559 PolarHBondContact O-N 3.26Å; F556-L559 PolarHBondContact O-N 3.32Å; L559-A562 PolarHBondContact O-N 3.21Å; L559-L563 WeakPolarHBondContact O-CB 3.41Å; L559-L563 PolarHBondContact O-N 3.3Å; L559-A588 HydrophobicContact CB-CB 4.34Å
560	V	91.8	Very high	89.8	Confident	2 Å²	2	36 Å²	36	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-71.1	-38.5	-177.1	-179.3	0	0	0	0	111.3	L170 F174 F556 N558 A562 L563 Q564	L170-V560 HydrophobicContact CB-CG1 4.06Å; L170-V560 HydrophobicContact CD1-CB 4.13Å; L170-V560 HydrophobicContact CD1-CG1 3.77Å; L170-V560 HydrophobicContact CD2-CG1 4.14Å; L170-V560 HydrophobicContact CG-CG1 4.21Å; F174-V560 HydrophobicContact CD1-CB 4.42Å; F174-V560 HydrophobicContact CD1-CG1 4.17Å; F174-V560 HydrophobicContact CD1-CG2 3.31Å; F174-V560 HydrophobicContact CD2-CG1 4.15Å; F174-V560 HydrophobicContact CE1-CG1 4.4Å; F174-V560 HydrophobicContact CE1-CG2 3.51Å; F174-V560 HydrophobicContact CE2-CG1 4.37Å; F174-V560 HydrophobicContact CG-CG1 4.02Å; F174-V560 HydrophobicContact CG-CG2 3.96Å; F174-V560 HydrophobicContact CZ-CG1 4.49Å; F174-V560 HydrophobicContact CZ-CG2 4.28Å; F556-V560 WeakPolarHBondContact O-CB 3.44Å; F556-V560 WeakPolarHBondContact O-CG2 3.49Å; F556-V560 PolarHBondContact O-N 3.37Å; N558-V560 PolarHBondContact O-N 3.42Å; V560-A562 VanDerWaalsContact C-N 3.32Å; V560-A562 PolarHBondContact O-N 2.86Å; V560-L563 PolarHBondContact O-N 2.73Å; V560-Q564 HydrophobicContact CG1-CG 3.95Å; V560-Q564 WeakPolarHBondContact O-CB 3.43Å; V560-Q564 VanDerWaalsContact O-CG 3.28Å; V560-Q564 WeakPolarHBondContact O-CG 3.42Å; V560-Q564 PolarHBondContact O-N 3.44Å
561	C	93.2	Very high	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-44	173.1	-67.5	0	0	0	0	111.7	V557 T565 W572 Y579	V557-C561 PolarHBondContact O-N 2.87Å; V557-C561 PolarHBondContact O-SG 3.15Å; C561-T565 PolarHBondContact O-N 2.89Å; C561-T565 PolarHBondContact O-OG1 2.94Å; C561-W572 HydrophobicContact CB-CH2 4.29Å; C561-W572 HydrophobicContact CB-CZ2 4Å; C561-Y579 VanDerWaalsContact C-OH 3.25Å; C561-Y579 HydrophobicContact CB-CE2 4.3Å; C561-Y579 PolarHBondContact O-OH 3.02Å
562	A	94.8	Very high	88.9	Confident	8 Å²	8	43.5 Å²	43.5	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.4	0	0	0	0	0	111.9	N558 L559 V560 T565 L566 L585	N558-A562 PolarHBondContact O-N 2.89Å; L559-A562 PolarHBondContact O-N 3.21Å; V560-A562 VanDerWaalsContact C-N 3.32Å; V560-A562 PolarHBondContact O-N 2.86Å; A562-T565 PolarHBondContact O-N 3.41Å; A562-L566 WeakPolarHBondContact O-CB 3.39Å; A562-L566 PolarHBondContact O-N 3.09Å; A562-L585 HydrophobicContact CB-CB 4.42Å
563	L	91.1	Very high	88.7	Confident	70 Å²	70	51.4 Å²	51.4	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-48	-179.7	-176.1	64.5	0	0	0	112.8	L559 V560 T565 L566 L567	L559-L563 WeakPolarHBondContact O-CB 3.41Å; L559-L563 PolarHBondContact O-N 3.3Å; V560-L563 PolarHBondContact O-N 2.73Å; L563-T565 VanDerWaalsContact C-N 3.25Å; L563-T565 PolarHBondContact O-N 2.85Å; L563-L566 PolarHBondContact O-N 2.9Å; L563-L566 VanDerWaalsContact O-N 3.15Å; L563-L567 HydrophobicContact CD1-CD1 3.8Å; L563-L567 HydrophobicContact CD1-CG 3.96Å; L563-L567 HydrophobicContact CG-CD1 3.86Å; L563-L567 HydrophobicContact CG-CG 4.32Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 3.4Å
564	Q	89.8	Confident	88.6	Confident	32 Å²	32	53 Å²	53	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-35.3	178.9	-65.7	-70.1	14.1	0	0	111.6	L170 V560 R568 A569 W572	L170-Q564 HydrophobicContact CD2-CG 4.42Å; L170-Q564 PolarHBondContact O-NE2 3.41Å; V560-Q564 HydrophobicContact CG1-CG 3.95Å; V560-Q564 WeakPolarHBondContact O-CB 3.43Å; V560-Q564 VanDerWaalsContact O-CG 3.28Å; V560-Q564 WeakPolarHBondContact O-CG 3.42Å; V560-Q564 PolarHBondContact O-N 3.44Å; Q564-R568 PolarHBondContact O-N 3.41Å; Q564-A569 PolarHBondContact O-N 3.07Å; Q564-A569 VanDerWaalsContact O-N 3.17Å; Q564-W572 HydrophobicContact CB-CB 4.07Å; Q564-W572 HydrophobicContact CB-CD2 3.86Å; Q564-W572 HydrophobicContact CB-CG 3.62Å
565	T	90.8	Very high	88.3	Confident	41 Å²	41	63.6 Å²	63.6	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-44.8	173.2	-51.2	0	0	0	0	111.9	C561 A562 L563 R568 W572 Y579 W581	C561-T565 PolarHBondContact O-N 2.89Å; C561-T565 PolarHBondContact O-OG1 2.94Å; A562-T565 PolarHBondContact O-N 3.41Å; L563-T565 VanDerWaalsContact C-N 3.25Å; L563-T565 PolarHBondContact O-N 2.85Å; T565-R568 PolarHBondContact O-N 3.24Å; T565-W572 PolarHBondContact OG1-NE1 3.45Å; T565-Y579 HydrophobicContact CG2-CE1 4.46Å; T565-Y579 WeakPolarHBondContact OG1-CE1 3.12Å; T565-Y579 PolarHBondContact OG1-OH 3.06Å; T565-Y579 VanDerWaalsContact OG1-OH 3.05Å; T565-W581 HydrophobicContact CG2-CB 4.01Å
566	L	89.9	Confident	88.2	Confident	125 Å²	125	65.7 Å²	65.7	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-68.6	-39.5	-178	-174.5	64.3	0	0	0	112.6	A562 L563 R568	A562-L566 WeakPolarHBondContact O-CB 3.39Å; A562-L566 PolarHBondContact O-N 3.09Å; L563-L566 PolarHBondContact O-N 2.9Å; L563-L566 VanDerWaalsContact O-N 3.15Å; L566-R568 PolarHBondContact O-N 3.45Å
567	L	84.2	Confident	88.1	Confident	90 Å²	90	75 Å²	75	47%	0.471	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.1	176.5	-65.1	-179.7	0	0	0	113.8	L563 A569	L563-L567 HydrophobicContact CD1-CD1 3.8Å; L563-L567 HydrophobicContact CD1-CG 3.96Å; L563-L567 HydrophobicContact CG-CD1 3.86Å; L563-L567 HydrophobicContact CG-CG 4.32Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 3.4Å; L567-A569 VanDerWaalsContact C-N 3.31Å; L567-A569 PolarHBondContact O-N 3.03Å
568	R	80.9	Confident	88.1	Confident	216 Å²	216	81.2 Å²	81.2	82%	0.815	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	47.4	-175.3	-58.2	-178.1	177.3	-174	-1	112.6	Q564 T565 L566	Q564-R568 PolarHBondContact O-N 3.41Å; T565-R568 PolarHBondContact O-N 3.24Å; L566-R568 PolarHBondContact O-N 3.45Å
569	A	77.1	Confident	88	Confident	11 Å²	11	82.7 Å²	82.7	9%	0.091	37%	0.371	C	S	.	.			trans	-59.2	134.2	-178.2	0	0	0	0	0	110.9	Q564 L567 N571 W572	Q564-A569 PolarHBondContact O-N 3.07Å; Q564-A569 VanDerWaalsContact O-N 3.17Å; L567-A569 VanDerWaalsContact C-N 3.31Å; L567-A569 PolarHBondContact O-N 3.03Å; A569-N571 PolarHBondContact O-N 3.48Å; A569-N571 VanDerWaalsContact O-N 3.08Å; A569-W572 HydrophobicContact CB-CB 4.2Å; A569-W572 PolarHBondContact O-N 3.38Å
570	P	73	Confident	88.1	Confident	36 Å²	36	83.3 Å²	83.3	23%	0.234	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.5	-164.5	21.2	-33.4	0	0	0	114	R573	P570-R573 PolarHBondContact O-NE 3.4Å; P570-R573 PolarHBondContact O-NH2 3.22Å
571	N	80.3	Confident	88.2	Confident	138 Å²	138	88.4 Å²	88.4	74%	0.738	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.9	-179.9	-63.5	-12.9	0	0	0	113.9	N154 A569	N154-N571 PolarHBondContact ND2-O 2.9Å; N154-N571 PolarHBondContact OD1-O 3.14Å; A569-N571 PolarHBondContact O-N 3.48Å; A569-N571 VanDerWaalsContact O-N 3.08Å
572	W	84.6	Confident	88.4	Confident	20 Å²	20	90.7 Å²	90.7	8%	0.076	41%	0.407	C	S	.	.			trans	-100.7	97.6	-176	-176.9	-103.5	0	0	0	111.1	A150 I151 N154 L170 C561 Q564 T565 A569 P574	A150-W572 HydrophobicContact CB-CH2 4.39Å; A150-W572 HydrophobicContact CB-CZ2 4.4Å; I151-W572 HydrophobicContact CG1-CH2 3.89Å; I151-W572 HydrophobicContact CG1-CZ3 4.18Å; N154-W572 HydrophobicContact CB-CE3 4.35Å; N154-W572 HydrophobicContact CB-CZ3 4.19Å; L170-W572 HydrophobicContact CD2-CE3 4.01Å; L170-W572 HydrophobicContact CD2-CH2 4.13Å; L170-W572 HydrophobicContact CD2-CZ3 3.52Å; C561-W572 HydrophobicContact CB-CH2 4.29Å; C561-W572 HydrophobicContact CB-CZ2 4Å; Q564-W572 HydrophobicContact CB-CB 4.07Å; Q564-W572 HydrophobicContact CB-CD2 3.86Å; Q564-W572 HydrophobicContact CB-CG 3.62Å; T565-W572 PolarHBondContact OG1-NE1 3.45Å; A569-W572 HydrophobicContact CB-CB 4.2Å; A569-W572 PolarHBondContact O-N 3.38Å; W572-P574 HydrophobicContact CZ2-CB 4.27Å; W572-P574 HydrophobicContact CZ2-CG 3.95Å
573	R	89.2	Confident	88.4	Confident	176 Å²	176	93.1 Å²	93.1	66%	0.664	42%	0.418	S	S	*	.			trans	-137.5	59.4	-177	-53.3	-176.4	-164.8	-159.2	0.1	110.3	N154 P570 R575	N154-R573 VanDerWaalsContact OD1-C 3.24Å; N154-R573 WeakPolarHBondContact OD1-CA 3.49Å; N154-R573 PolarHBondContact OD1-N 3.42Å; P570-R573 PolarHBondContact O-NE 3.4Å; P570-R573 PolarHBondContact O-NH2 3.22Å; R573-R575 PolarHBondContact O-N 3.39Å
574	P	88	Confident	88.6	Confident	33 Å²	33	89.8 Å²	89.8	21%	0.214	40%	0.401	C	S	.	.			trans	-60.6	128.4	-174.3	25.9	-35.8	0	0	0	111.4	A150 W572 Y579	A150-P574 HydrophobicContact CB-CB 3.88Å; W572-P574 HydrophobicContact CZ2-CB 4.27Å; W572-P574 HydrophobicContact CZ2-CG 3.95Å; P574-Y579 HydrophobicContact CB-CD1 4.39Å; P574-Y579 HydrophobicContact CG-CD1 3.77Å; P574-Y579 HydrophobicContact CG-CE1 3.94Å
575	R	89.5	Confident	88.9	Confident	225 Å²	225	91.3 Å²	91.3	85%	0.849	41%	0.41	S	S	*	.			trans	-89.6	-1.6	-175.3	-61.3	-177.9	175.9	-170.2	-0.8	114.4	T153 R573 R577	T153-R575 PolarHBondContact O-N 3Å; T153-R575 PolarHBondContact OG1-N 3.49Å; R573-R575 PolarHBondContact O-N 3.39Å; R575-R577 PolarHBondContact O-N 2.96Å
576	Y	90.5	Very high	89.2	Confident	49 Å²	49	93.3 Å²	93.3	19%	0.192	42%	0.419	C	S	.	.			trans	-71.6	115.2	-176.8	-172	-118	0	0	0	112.6	I146 T153 P417 I421 F578 Y579	I146-Y576 HydrophobicContact CG2-CD1 4.39Å; I146-Y576 HydrophobicContact CG2-CE1 4.21Å; T153-Y576 WeakPolarHBondContact OG1-CB 3.37Å; T153-Y576 PolarHBondContact OG1-N 2.88Å; T153-Y576 VanDerWaalsContact OG1-N 3.13Å; P417-Y576 HydrophobicContact CB-CD2 4.39Å; P417-Y576 HydrophobicContact CB-CE2 4.13Å; I421-Y576 HydrophobicContact CD1-CE1 4.47Å; I421-Y576 WeakPolarHBondContact CD1-OH 3.49Å; Y576-F578 VanDerWaalsContact C-N 3.25Å; Y576-F578 HydrophobicContact CD1-CB 4.32Å; Y576-F578 HydrophobicContact CE1-CB 3.72Å; Y576-F578 HydrophobicContact CE1-CD2 4.34Å; Y576-F578 HydrophobicContact CE2-CD2 4.36Å; Y576-F578 AromaticContact CZ-CD2 3.89Å; Y576-F578 PolarHBondContact O-N 3.23Å; Y576-F578 VanDerWaalsContact O-N 3.1Å; Y576-Y579 VanDerWaalsContact O-CB 3.25Å; Y576-Y579 WeakPolarHBondContact O-CB 3.21Å; Y576-Y579 PolarHBondContact O-N 3.24Å
577	R	90.6	Very high	89.4	Confident	224 Å²	224	87.3 Å²	87.3	85%	0.845	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.1	-173	-179.6	177.1	176	-175.8	-1.2	115.3	R575	R575-R577 PolarHBondContact O-N 2.96Å
578	F	92.2	Very high	90	Very high	131 Å²	131	83.2 Å²	83.2	58%	0.575	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	10.8	-178	-55	-75.4	0	0	0	113.1	Y576	Y576-F578 VanDerWaalsContact C-N 3.25Å; Y576-F578 HydrophobicContact CD1-CB 4.32Å; Y576-F578 HydrophobicContact CE1-CB 3.72Å; Y576-F578 HydrophobicContact CE1-CD2 4.34Å; Y576-F578 HydrophobicContact CE2-CD2 4.36Å; Y576-F578 AromaticContact CZ-CD2 3.89Å; Y576-F578 PolarHBondContact O-N 3.23Å; Y576-F578 VanDerWaalsContact O-N 3.1Å
579	Y	94.3	Very high	90.7	Very high	32 Å²	32	77.7 Å²	77.7	13%	0.125	35%	0.353	C	S	.	.			trans	-78.5	134	173.7	-179.6	-105.8	0	0	0	111.8	I146 A150 C561 T565 P574 Y576 S584	I146-Y579 HydrophobicContact CG2-CD2 4.36Å; A150-Y579 HydrophobicContact CB-CD1 4.33Å; A150-Y579 HydrophobicContact CB-CD2 3.28Å; A150-Y579 HydrophobicContact CB-CE2 3.69Å; A150-Y579 HydrophobicContact CB-CG 3.65Å; C561-Y579 VanDerWaalsContact C-OH 3.25Å; C561-Y579 HydrophobicContact CB-CE2 4.3Å; C561-Y579 PolarHBondContact O-OH 3.02Å; T565-Y579 HydrophobicContact CG2-CE1 4.46Å; T565-Y579 WeakPolarHBondContact OG1-CE1 3.12Å; T565-Y579 PolarHBondContact OG1-OH 3.06Å; T565-Y579 VanDerWaalsContact OG1-OH 3.05Å; P574-Y579 HydrophobicContact CB-CD1 4.39Å; P574-Y579 HydrophobicContact CG-CD1 3.77Å; P574-Y579 HydrophobicContact CG-CE1 3.94Å; Y576-Y579 VanDerWaalsContact O-CB 3.25Å; Y576-Y579 WeakPolarHBondContact O-CB 3.21Å; Y576-Y579 PolarHBondContact O-N 3.24Å; Y579-S584 VanDerWaalsContact CE2-OG 3.27Å; Y579-S584 WeakPolarHBondContact CE2-OG 3.38Å
580	H	94.9	Very high	91.5	Very high	90 Å²	90	78.8 Å²	78.8	42%	0.417	36%	0.357	S	S	.	.			trans	-149.3	142	165.3	-170.6	-105.4	0	0	0	109.9	S582 L583	H580-S582 PolarHBondContact ND1-N 3.1Å; H580-S582 PolarHBondContact ND1-OG 3.07Å; H580-S582 PolarHBondContact O-N 3.32Å; H580-S582 VanDerWaalsContact O-N 3.13Å; H580-L583 HydrophobicContact CB-CD1 4.37Å; H580-L583 HydrophobicContact CB-CG 4.43Å; H580-L583 WeakPolarHBondContact O-CB 3.41Å; H580-L583 PolarHBondContact O-N 3.48Å
581	W	94.4	Very high	92.4	Very high	109 Å²	109	77.1 Å²	77.1	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-32.5	-173.7	65.4	-91.9	0	0	0	113.4	T565 L583 S584 L585	T565-W581 HydrophobicContact CG2-CB 4.01Å; W581-L583 VanDerWaalsContact C-N 3.34Å; W581-L583 PolarHBondContact O-N 3.01Å; W581-S584 PolarHBondContact O-N 3.12Å; W581-L585 HydrophobicContact CE3-CD2 4.38Å; W581-L585 HydrophobicContact CZ3-CD2 3.9Å; W581-L585 WeakPolarHBondContact O-CB 3.27Å; W581-L585 PolarHBondContact O-N 3.3Å
582	S	96	Very high	93	Very high	49 Å²	49	73.1 Å²	73.1	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-70.8	-26.3	178.8	67.2	0	0	0	0	113.6	H580 L586	H580-S582 PolarHBondContact ND1-N 3.1Å; H580-S582 PolarHBondContact ND1-OG 3.07Å; H580-S582 PolarHBondContact O-N 3.32Å; H580-S582 VanDerWaalsContact O-N 3.13Å; S582-L586 VanDerWaalsContact O-CB 3.32Å; S582-L586 WeakPolarHBondContact O-CB 3.25Å; S582-L586 PolarHBondContact O-N 3.36Å
583	L	95.2	Very high	93.4	Very high	58 Å²	58	77.4 Å²	77.4	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-71.9	-41.9	175.1	-64.8	175.8	0	0	0	110.6	L143 H580 W581 L586 G587	L143-L583 HydrophobicContact CD2-CB 4.17Å; L143-L583 HydrophobicContact CD2-CD2 4.18Å; H580-L583 HydrophobicContact CB-CD1 4.37Å; H580-L583 HydrophobicContact CB-CG 4.43Å; H580-L583 WeakPolarHBondContact O-CB 3.41Å; H580-L583 PolarHBondContact O-N 3.48Å; W581-L583 VanDerWaalsContact C-N 3.34Å; W581-L583 PolarHBondContact O-N 3.01Å; L583-L586 PolarHBondContact O-N 2.88Å; L583-G587 PolarHBondContact O-N 3.26Å
584	S	95.6	Very high	93.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-42.9	171.3	-59	0	0	0	0	111.5	S147 N558 Y579 W581 L586 G587 A588	S147-S584 WeakPolarHBondContact OG-CB 3.48Å; S147-S584 PolarHBondContact OG-OG 3.2Å; N558-S584 WeakPolarHBondContact CB-O 3.42Å; N558-S584 WeakPolarHBondContact O-CB 3.46Å; Y579-S584 VanDerWaalsContact CE2-OG 3.27Å; Y579-S584 WeakPolarHBondContact CE2-OG 3.38Å; W581-S584 PolarHBondContact O-N 3.12Å; S584-L586 VanDerWaalsContact C-N 3.34Å; S584-L586 PolarHBondContact O-N 2.96Å; S584-G587 PolarHBondContact O-N 2.83Å; S584-G587 VanDerWaalsContact O-N 3.15Å; S584-A588 PolarHBondContact O-N 2.99Å
585	L	96.1	Very high	93.6	Very high	64 Å²	64	67.6 Å²	67.6	34%	0.335	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.3	-176.4	61.1	0	0	0	112	A562 W581 A588 L589	A562-L585 HydrophobicContact CB-CB 4.42Å; W581-L585 HydrophobicContact CE3-CD2 4.38Å; W581-L585 HydrophobicContact CZ3-CD2 3.9Å; W581-L585 WeakPolarHBondContact O-CB 3.27Å; W581-L585 PolarHBondContact O-N 3.3Å; L585-A588 PolarHBondContact O-N 3.17Å; L585-L589 HydrophobicContact CG-CD1 4.23Å; L585-L589 WeakPolarHBondContact O-CG 3.37Å; L585-L589 PolarHBondContact O-N 3.12Å
586	L	96.6	Very high	93.6	Very high	83 Å²	83	61.1 Å²	61.1	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-43.6	172.8	179.6	62.9	0	0	0	111.5	L143 S582 L583 S584 A588 L589 L590	L143-L586 HydrophobicContact CD1-CB 4.41Å; L143-L586 HydrophobicContact CD1-CD2 4Å; L143-L586 HydrophobicContact CD1-CG 3.91Å; S582-L586 VanDerWaalsContact O-CB 3.32Å; S582-L586 WeakPolarHBondContact O-CB 3.25Å; S582-L586 PolarHBondContact O-N 3.36Å; L583-L586 PolarHBondContact O-N 2.88Å; S584-L586 VanDerWaalsContact C-N 3.34Å; S584-L586 PolarHBondContact O-N 2.96Å; L586-A588 PolarHBondContact O-N 2.83Å; L586-L589 PolarHBondContact O-N 2.95Å; L586-L590 HydrophobicContact CD1-CD1 4.25Å; L586-L590 HydrophobicContact CD1-CG 4.31Å; L586-L590 HydrophobicContact CG-CD1 4.1Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.24Å; L586-L590 PolarHBondContact O-N 3.39Å
587	G	95.4	Very high	93.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-44.5	174.5	0	0	0	0	0	112.7	L583 S584 L590 C591	L583-G587 PolarHBondContact O-N 3.26Å; S584-G587 PolarHBondContact O-N 2.83Å; S584-G587 VanDerWaalsContact O-N 3.15Å; G587-L590 PolarHBondContact O-N 3.25Å; G587-C591 PolarHBondContact O-N 3.14Å; G587-C591 PolarHBondContact O-SG 2.98Å
588	A	95.2	Very high	93.3	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-45.3	175.7	0	0	0	0	0	112	N558 L559 S584 L585 L586 L590 C591 L592	N558-A588 HydrophobicContact CB-CB 3.79Å; L559-A588 HydrophobicContact CB-CB 4.34Å; S584-A588 PolarHBondContact O-N 2.99Å; L585-A588 PolarHBondContact O-N 3.17Å; L586-A588 PolarHBondContact O-N 2.83Å; A588-L590 VanDerWaalsContact C-N 3.34Å; A588-L590 PolarHBondContact O-N 3.44Å; A588-C591 WeakPolarHBondContact O-CB 3.16Å; A588-C591 PolarHBondContact O-N 3.13Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3Å
589	L	95.5	Very high	92.9	Very high	100 Å²	100	47.1 Å²	47.1	52%	0.524	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-37.7	178.1	-70.6	171.4	0	0	0	112.4	L585 L586 L592 F593	L585-L589 HydrophobicContact CG-CD1 4.23Å; L585-L589 WeakPolarHBondContact O-CG 3.37Å; L585-L589 PolarHBondContact O-N 3.12Å; L586-L589 PolarHBondContact O-N 2.95Å; L589-L592 PolarHBondContact O-N 2.97Å; L589-F593 WeakPolarHBondContact O-CB 3.5Å; L589-F593 PolarHBondContact O-N 3.26Å
590	L	93.8	Very high	92.8	Very high	34 Å²	34	53.6 Å²	53.6	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-39	174.1	-71.1	171.7	0	0	0	112.4	L136 I139 L143 L586 G587 A588 F593 I594	L136-L590 HydrophobicContact CD1-CD2 4.15Å; I139-L590 HydrophobicContact CG2-CD1 4.05Å; L143-L590 HydrophobicContact CD1-CD1 3.78Å; L586-L590 HydrophobicContact CD1-CD1 4.25Å; L586-L590 HydrophobicContact CD1-CG 4.31Å; L586-L590 HydrophobicContact CG-CD1 4.1Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.24Å; L586-L590 PolarHBondContact O-N 3.39Å; G587-L590 PolarHBondContact O-N 3.25Å; A588-L590 VanDerWaalsContact C-N 3.34Å; A588-L590 PolarHBondContact O-N 3.44Å; L590-F593 PolarHBondContact O-N 3.41Å; L590-I594 WeakPolarHBondContact O-CG1 3.43Å; L590-I594 PolarHBondContact O-N 3.36Å; L590-I594 VanDerWaalsContact O-N 3.1Å
591	C	93.5	Very high	92.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-47.8	172.7	-64.5	0	0	0	0	111.1	L551 C555 G587 A588 M595	L551-C591 HydrophobicContact CD2-CB 4.37Å; C555-C591 HydrophobicContact CB-CB 3.72Å; G587-C591 PolarHBondContact O-N 3.14Å; G587-C591 PolarHBondContact O-SG 2.98Å; A588-C591 WeakPolarHBondContact O-CB 3.16Å; A588-C591 PolarHBondContact O-N 3.13Å; C591-M595 VanDerWaalsContact O-CB 3.27Å; C591-M595 WeakPolarHBondContact O-CB 3.35Å; C591-M595 PolarHBondContact O-N 3.34Å
592	L	92.3	Very high	92.1	Very high	54 Å²	54	53.9 Å²	53.9	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.5	-69.4	176.7	0	0	0	112	C555 A588 L589 M595 F596	C555-L592 VanDerWaalsContact SG-CD2 3.55Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3Å; L589-L592 PolarHBondContact O-N 2.97Å; L592-M595 HydrophobicContact CD2-CE 3.73Å; L592-M595 PolarHBondContact O-N 3.17Å; L592-F596 HydrophobicContact CD2-CE2 4.36Å; L592-F596 WeakPolarHBondContact O-CB 3.38Å; L592-F596 WeakPolarHBondContact O-CD2 3.4Å; L592-F596 PolarHBondContact O-N 2.89Å
593	F	92.3	Very high	91.7	Very high	111 Å²	111	51.5 Å²	51.5	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-53.5	178.8	174.5	-103.2	0	0	0	111.4	L589 L590 M595 F596 S597	L589-F593 WeakPolarHBondContact O-CB 3.5Å; L589-F593 PolarHBondContact O-N 3.26Å; L590-F593 PolarHBondContact O-N 3.41Å; F593-M595 PolarHBondContact O-N 3.31Å; F593-F596 PolarHBondContact O-N 3.15Å; F593-S597 VanDerWaalsContact O-CB 3.28Å; F593-S597 WeakPolarHBondContact O-CB 3.49Å; F593-S597 PolarHBondContact O-N 3.2Å; F593-S597 PolarHBondContact O-OG 3.49Å
594	I	91.1	Very high	91.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-50.4	178	-64.1	167.2	0	0	0	110.2	C140 L389 Y393 L551 L590 F596 S597 T598	C140-I594 HydrophobicContact CB-CD1 4.28Å; L389-I594 HydrophobicContact CD2-CG2 3.48Å; L389-I594 VanDerWaalsContact CD2-CG2 3.48Å; Y393-I594 HydrophobicContact CD2-CD1 4.49Å; Y393-I594 HydrophobicContact CE2-CD1 4.16Å; L551-I594 HydrophobicContact CD1-CB 4.18Å; L551-I594 HydrophobicContact CD1-CG2 3.64Å; L551-I594 HydrophobicContact CD2-CB 4.17Å; L551-I594 HydrophobicContact CD2-CD1 4.35Å; L551-I594 HydrophobicContact CD2-CG2 4.18Å; L590-I594 WeakPolarHBondContact O-CG1 3.43Å; L590-I594 PolarHBondContact O-N 3.36Å; L590-I594 VanDerWaalsContact O-N 3.1Å; I594-F596 PolarHBondContact O-N 3.16Å; I594-S597 PolarHBondContact O-N 2.85Å; I594-T598 PolarHBondContact O-N 2.81Å; I594-T598 PolarHBondContact O-OG1 3.4Å
595	M	90	Very high	91.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-42.7	-176.6	-168.3	180	62.3	0	0	112.9	F548 L551 M552 C591 L592 F593 A603	F548-M595 HydrophobicContact CD1-CG 3.61Å; F548-M595 HydrophobicContact CD1-SD 4.42Å; F548-M595 HydrophobicContact CE1-CG 3.71Å; F548-M595 WeakPolarHBondContact CE1-O 3.38Å; L551-M595 HydrophobicContact CB-CB 4.44Å; L551-M595 HydrophobicContact CD1-CB 4.04Å; M552-M595 HydrophobicContact CB-SD 4.33Å; M552-M595 HydrophobicContact SD-CE 3.67Å; M552-M595 HydrophobicContact SD-SD 3.7Å; M552-M595 VanDerWaalsContact SD-SD 3.7Å; C591-M595 VanDerWaalsContact O-CB 3.27Å; C591-M595 WeakPolarHBondContact O-CB 3.35Å; C591-M595 PolarHBondContact O-N 3.34Å; L592-M595 HydrophobicContact CD2-CE 3.73Å; L592-M595 PolarHBondContact O-N 3.17Å; F593-M595 PolarHBondContact O-N 3.31Å; M595-A603 HydrophobicContact CE-CB 4.09Å; M595-A603 HydrophobicContact CG-CB 3.77Å; M595-A603 HydrophobicContact SD-CB 4.33Å
596	F	91.4	Very high	90.5	Very high	89 Å²	89	56 Å²	56	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-75.3	-33.1	177	-84.9	-79.9	0	0	0	113	L592 F593 I594 W600 A603	L592-F596 HydrophobicContact CD2-CE2 4.36Å; L592-F596 WeakPolarHBondContact O-CB 3.38Å; L592-F596 WeakPolarHBondContact O-CD2 3.4Å; L592-F596 PolarHBondContact O-N 2.89Å; F593-F596 PolarHBondContact O-N 3.15Å; I594-F596 PolarHBondContact O-N 3.16Å; F596-W600 HydrophobicContact CD1-CB 3.92Å; F596-W600 PolarHBondContact O-N 3.27Å; F596-A603 HydrophobicContact CD1-CB 4.02Å; F596-A603 HydrophobicContact CD2-CB 4.43Å; F596-A603 HydrophobicContact CE1-CB 4.03Å; F596-A603 HydrophobicContact CE2-CB 4.45Å; F596-A603 HydrophobicContact CG-CB 4.22Å; F596-A603 HydrophobicContact CZ-CB 4.26Å
597	S	89.5	Confident	90.1	Very high	38 Å²	38	53.7 Å²	53.7	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-32.6	176.4	-77.1	0	0	0	0	113.8	F593 I594	F593-S597 VanDerWaalsContact O-CB 3.28Å; F593-S597 WeakPolarHBondContact O-CB 3.49Å; F593-S597 PolarHBondContact O-N 3.2Å; F593-S597 PolarHBondContact O-OG 3.49Å; I594-S597 PolarHBondContact O-N 2.85Å
598	T	84.4	Confident	89.8	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-73.5	173.9	-58.8	0	0	0	0	110.4	A390 F548 I594	A390-T598 HydrophobicContact CB-CG2 3.56Å; F548-T598 HydrophobicContact CE2-CG2 4.26Å; F548-T598 HydrophobicContact CZ-CG2 3.91Å; I594-T598 PolarHBondContact O-N 2.81Å; I594-T598 PolarHBondContact O-OG1 3.4Å
599	H	84.7	Confident	89.4	Confident	57 Å²	57	61.9 Å²	61.9	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-142.5	88.6	178.6	-62.2	-29.4	0	0	0	111.1	F548 Y601 Y602 A603	F548-H599 HydrophobicContact CE2-CB 4.29Å; F548-H599 HydrophobicContact CZ-CB 3.71Å; H599-Y601 HydrophobicContact CB-CD1 4.23Å; H599-Y601 HydrophobicContact CB-CE1 3.73Å; H599-Y601 PolarHBondContact O-N 3.18Å; H599-Y602 HydrophobicContact CB-CD2 3.66Å; H599-Y602 HydrophobicContact CB-CE2 4.41Å; H599-Y602 HydrophobicContact CB-CG 4.43Å; H599-Y602 AromaticContact CD2-CD2 3.63Å; H599-Y602 AromaticContact CD2-CE2 3.71Å; H599-Y602 AromaticContact CG-CD2 3.99Å; H599-Y602 PolarHBondContact O-N 3.29Å; H599-Y602 VanDerWaalsContact O-N 3.15Å; H599-A603 PolarHBondContact O-N 3.1Å
600	W	90.4	Very high	89	Confident	167 Å²	167	57.3 Å²	57.3	63%	0.633	28%	0.276	S	S	*	.	H	α-helix	trans	-48.8	-31.1	-178.8	70.8	-91.8	0	0	0	115.6	F596 A603 L604	F596-W600 HydrophobicContact CD1-CB 3.92Å; F596-W600 PolarHBondContact O-N 3.27Å; W600-A603 WeakPolarHBondContact O-CB 3.32Å; W600-L604 WeakPolarHBondContact O-CB 3.43Å; W600-L604 PolarHBondContact O-N 2.93Å
601	Y	89.9	Confident	88.7	Confident	94 Å²	94	58.2 Å²	58.2	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-77.8	-41.5	-177.1	60	-82.2	0	0	0	112.2	H599 L604 I605	H599-Y601 HydrophobicContact CB-CD1 4.23Å; H599-Y601 HydrophobicContact CB-CE1 3.73Å; H599-Y601 PolarHBondContact O-N 3.18Å; Y601-L604 PolarHBondContact O-N 3.12Å; Y601-I605 WeakPolarHBondContact O-CG1 3.44Å; Y601-I605 PolarHBondContact O-N 3.12Å; Y601-I605 VanDerWaalsContact O-N 3.14Å
602	Y	86.1	Confident	88.5	Confident	111 Å²	111	62.1 Å²	62.1	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-41.2	169.1	-65.2	-45.5	0	0	0	111.1	F548 H599 L604 I605 V606	F548-Y602 HydrophobicContact CE2-CD2 4.27Å; H599-Y602 HydrophobicContact CB-CD2 3.66Å; H599-Y602 HydrophobicContact CB-CE2 4.41Å; H599-Y602 HydrophobicContact CB-CG 4.43Å; H599-Y602 AromaticContact CD2-CD2 3.63Å; H599-Y602 AromaticContact CD2-CE2 3.71Å; H599-Y602 AromaticContact CG-CD2 3.99Å; H599-Y602 PolarHBondContact O-N 3.29Å; H599-Y602 VanDerWaalsContact O-N 3.15Å; Y602-L604 VanDerWaalsContact C-N 3.29Å; Y602-L604 PolarHBondContact O-N 3.49Å; Y602-I605 PolarHBondContact O-N 3.1Å; Y602-V606 WeakPolarHBondContact O-CG2 3.41Å; Y602-V606 PolarHBondContact O-N 3.15Å
603	A	87.1	Confident	88.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54.4	-43.9	174.9	0	0	0	0	0	112.3	F548 M595 F596 H599 W600 C607	F548-A603 HydrophobicContact CE1-CB 4.36Å; M595-A603 HydrophobicContact CE-CB 4.09Å; M595-A603 HydrophobicContact CG-CB 3.77Å; M595-A603 HydrophobicContact SD-CB 4.33Å; F596-A603 HydrophobicContact CD1-CB 4.02Å; F596-A603 HydrophobicContact CD2-CB 4.43Å; F596-A603 HydrophobicContact CE1-CB 4.03Å; F596-A603 HydrophobicContact CE2-CB 4.45Å; F596-A603 HydrophobicContact CG-CB 4.22Å; F596-A603 HydrophobicContact CZ-CB 4.26Å; H599-A603 PolarHBondContact O-N 3.1Å; W600-A603 WeakPolarHBondContact O-CB 3.32Å; A603-C607 WeakPolarHBondContact O-CB 3.4Å; A603-C607 PolarHBondContact O-N 2.98Å; A603-C607 PolarHBondContact O-SG 2.79Å
604	L	89.3	Confident	88.1	Confident	91 Å²	91	58.5 Å²	58.5	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-45.5	176.9	-171.6	154.3	0	0	0	112.1	W600 Y601 Y602 V606 C607 V608	W600-L604 WeakPolarHBondContact O-CB 3.43Å; W600-L604 PolarHBondContact O-N 2.93Å; Y601-L604 PolarHBondContact O-N 3.12Å; Y602-L604 VanDerWaalsContact C-N 3.29Å; Y602-L604 PolarHBondContact O-N 3.49Å; L604-V606 PolarHBondContact O-N 3.05Å; L604-C607 WeakPolarHBondContact O-CB 3.35Å; L604-C607 PolarHBondContact O-N 2.84Å; L604-V608 HydrophobicContact CD2-CG2 4.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.28Å; L604-V608 PolarHBondContact O-N 2.87Å
605	I	88.4	Confident	88	Confident	104 Å²	104	63.9 Å²	63.9	53%	0.533	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-45.8	178.3	-67.7	164.3	0	0	0	110.8	Y601 Y602 V608 L609	Y601-I605 WeakPolarHBondContact O-CG1 3.44Å; Y601-I605 PolarHBondContact O-N 3.12Å; Y601-I605 VanDerWaalsContact O-N 3.14Å; Y602-I605 PolarHBondContact O-N 3.1Å; I605-V608 PolarHBondContact O-N 3.07Å; I605-L609 WeakPolarHBondContact O-CB 3.46Å; I605-L609 PolarHBondContact O-N 3.34Å
606	V	84.8	Confident	87.9	Confident	21 Å²	21	68.3 Å²	68.3	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-43.4	177.5	173.5	0	0	0	0	110.9	M552 Y602 L604 V608 L609 C610	M552-V606 HydrophobicContact CB-CG1 4.19Å; M552-V606 HydrophobicContact CG-CG1 3.93Å; M552-V606 HydrophobicContact SD-CG1 4.4Å; Y602-V606 WeakPolarHBondContact O-CG2 3.41Å; Y602-V606 PolarHBondContact O-N 3.15Å; L604-V606 PolarHBondContact O-N 3.05Å; V606-V608 VanDerWaalsContact C-N 3.33Å; V606-V608 PolarHBondContact O-N 3.04Å; V606-L609 PolarHBondContact O-N 3.23Å; V606-C610 PolarHBondContact O-N 3.12Å; V606-C610 PolarHBondContact O-SG 2.98Å
607	C	86.6	Confident	87.7	Confident	34 Å²	34	64.3 Å²	64.3	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-54.4	-46.1	173.8	-74.6	0	0	0	0	112.6	A603 L604 C610 A611	A603-C607 WeakPolarHBondContact O-CB 3.4Å; A603-C607 PolarHBondContact O-N 2.98Å; A603-C607 PolarHBondContact O-SG 2.79Å; L604-C607 WeakPolarHBondContact O-CB 3.35Å; L604-C607 PolarHBondContact O-N 2.84Å; C607-C610 PolarHBondContact O-N 3.11Å; C607-A611 WeakPolarHBondContact O-CB 3.45Å; C607-A611 PolarHBondContact O-N 3.11Å
608	V	90.5	Very high	87.5	Confident	83 Å²	83	64.3 Å²	64.3	50%	0.503	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-40.4	179	173.1	0	0	0	0	111.7	L604 I605 V606 C610 A611 T612	L604-V608 HydrophobicContact CD2-CG2 4.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.28Å; L604-V608 PolarHBondContact O-N 2.87Å; I605-V608 PolarHBondContact O-N 3.07Å; V606-V608 VanDerWaalsContact C-N 3.33Å; V606-V608 PolarHBondContact O-N 3.04Å; V608-C610 VanDerWaalsContact C-N 3.34Å; V608-C610 PolarHBondContact O-N 3.32Å; V608-A611 PolarHBondContact O-N 2.86Å; V608-T612 WeakPolarHBondContact O-CG2 3.45Å; V608-T612 PolarHBondContact O-N 3.29Å; V608-T612 PolarHBondContact O-OG1 3.22Å
609	L	86.9	Confident	87.6	Confident	93 Å²	93	67.3 Å²	67.3	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-41.9	174.9	-177.8	61.1	0	0	0	111.3	I605 V606 T612 I613	I605-L609 WeakPolarHBondContact O-CB 3.46Å; I605-L609 PolarHBondContact O-N 3.34Å; V606-L609 PolarHBondContact O-N 3.23Å; L609-T612 WeakPolarHBondContact CA-OG1 3.26Å; L609-T612 PolarHBondContact O-N 3.23Å; L609-T612 PolarHBondContact O-OG1 2.91Å; L609-I613 HydrophobicContact CD1-CD1 4.1Å; L609-I613 HydrophobicContact CD1-CG1 4.44Å; L609-I613 HydrophobicContact CG-CD1 3.95Å; L609-I613 WeakPolarHBondContact O-CB 3.46Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.44Å; L609-I613 PolarHBondContact O-N 2.97Å
610	C	85.6	Confident	87.6	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.027	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-43.8	177.1	-62.5	0	0	0	0	112.4	M552 F556 V606 C607 V608 T612 I613 Y614	M552-C610 HydrophobicContact CE-CB 4.45Å; F556-C610 HydrophobicContact CE2-CB 3.46Å; F556-C610 VanDerWaalsContact CE2-CB 3.46Å; F556-C610 HydrophobicContact CZ-CB 3.59Å; V606-C610 PolarHBondContact O-N 3.12Å; V606-C610 PolarHBondContact O-SG 2.98Å; C607-C610 PolarHBondContact O-N 3.11Å; V608-C610 VanDerWaalsContact C-N 3.34Å; V608-C610 PolarHBondContact O-N 3.32Å; C610-T612 VanDerWaalsContact C-N 3.32Å; C610-T612 PolarHBondContact O-N 2.94Å; C610-I613 PolarHBondContact O-N 2.84Å; C610-Y614 WeakPolarHBondContact O-CB 3.3Å; C610-Y614 PolarHBondContact O-N 3.37Å
611	A	87.9	Confident	87.3	Confident	53 Å²	53	60.8 Å²	60.8	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-37.7	178.2	0	0	0	0	0	112.3	C607 V608 K615	C607-A611 WeakPolarHBondContact O-CB 3.45Å; C607-A611 PolarHBondContact O-N 3.11Å; V608-A611 PolarHBondContact O-N 2.86Å; A611-K615 WeakPolarHBondContact O-CB 3.21Å; A611-K615 PolarHBondContact O-N 3.36Å
612	T	90.3	Very high	86.8	Confident	83 Å²	83	56.6 Å²	56.6	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-73.1	-38.5	176.2	49.4	0	0	0	0	112.6	V608 L609 C610 Y616	V608-T612 WeakPolarHBondContact O-CG2 3.45Å; V608-T612 PolarHBondContact O-N 3.29Å; V608-T612 PolarHBondContact O-OG1 3.22Å; L609-T612 WeakPolarHBondContact CA-OG1 3.26Å; L609-T612 PolarHBondContact O-N 3.23Å; L609-T612 PolarHBondContact O-OG1 2.91Å; C610-T612 VanDerWaalsContact C-N 3.32Å; C610-T612 PolarHBondContact O-N 2.94Å; T612-Y616 VanDerWaalsContact O-CB 3.29Å; T612-Y616 WeakPolarHBondContact O-CB 3.39Å; T612-Y616 PolarHBondContact O-N 2.85Å
613	I	87.8	Confident	86.8	Confident	39 Å²	39	56 Å²	56	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-49.7	170.7	-72	167.6	0	0	0	110.8	A177 I180 L609 C610 K615 Y616 I617	A177-I613 HydrophobicContact CB-CG2 4.41Å; I180-I613 HydrophobicContact CD1-CG2 3.89Å; L609-I613 HydrophobicContact CD1-CD1 4.1Å; L609-I613 HydrophobicContact CD1-CG1 4.44Å; L609-I613 HydrophobicContact CG-CD1 3.95Å; L609-I613 WeakPolarHBondContact O-CB 3.46Å; L609-I613 VanDerWaalsContact O-CG1 3.26Å; L609-I613 WeakPolarHBondContact O-CG1 3.44Å; L609-I613 PolarHBondContact O-N 2.97Å; C610-I613 PolarHBondContact O-N 2.84Å; I613-K615 PolarHBondContact O-N 3.07Å; I613-Y616 PolarHBondContact O-N 3.42Å; I613-I617 HydrophobicContact CG2-CD1 3.75Å; I613-I617 VanDerWaalsContact O-CG1 3.3Å; I613-I617 WeakPolarHBondContact O-CG1 3.31Å; I613-I617 PolarHBondContact O-N 3.47Å
614	Y	88.4	Confident	86.5	Confident	49 Å²	49	61.9 Å²	61.9	19%	0.192	32%	0.316	C	S	.	.	H	α-helix	trans	-57.3	-51.1	178.3	175.8	-92.6	0	0	0	111.6	E173 F174 C610 Y616 I617 E618	E173-Y614 HydrophobicContact CB-CD2 4Å; E173-Y614 HydrophobicContact CB-CE2 3.52Å; F174-Y614 HydrophobicContact CD1-CD2 4.07Å; F174-Y614 AromaticContact CD1-CE2 3.55Å; F174-Y614 HydrophobicContact CD1-CE2 3.55Å; F174-Y614 HydrophobicContact CD2-CE2 4.14Å; F174-Y614 HydrophobicContact CE1-CD2 4.1Å; F174-Y614 AromaticContact CE1-CE2 3.35Å; F174-Y614 HydrophobicContact CE1-CE2 3.35Å; F174-Y614 AromaticContact CE1-CZ 3.85Å; F174-Y614 AromaticContact CE2-CE2 3.97Å; F174-Y614 HydrophobicContact CE2-CE2 3.97Å; F174-Y614 AromaticContact CG-CE2 3.96Å; F174-Y614 HydrophobicContact CG-CE2 3.96Å; F174-Y614 AromaticContact CZ-CE2 3.59Å; F174-Y614 HydrophobicContact CZ-CE2 3.59Å; F174-Y614 AromaticContact CZ-CZ 3.72Å; F174-Y614 VanDerWaalsContact CZ-OH 3.32Å; F174-Y614 WeakPolarHBondContact CZ-OH 3.39Å; C610-Y614 WeakPolarHBondContact O-CB 3.3Å; C610-Y614 PolarHBondContact O-N 3.37Å; Y614-Y616 VanDerWaalsContact C-N 3.34Å; Y614-Y616 PolarHBondContact O-N 3.22Å; Y614-I617 PolarHBondContact O-N 3.01Å; Y614-E618 WeakPolarHBondContact CE1-OE2 3.37Å; Y614-E618 WeakPolarHBondContact O-CB 3.31Å; Y614-E618 PolarHBondContact O-N 3.11Å
615	K	87.8	Confident	86	Confident	116 Å²	116	64 Å²	64	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-31.4	178.8	-80	-73.6	166.4	-163	0	113.7	A611 I613 E618 Y619	A611-K615 WeakPolarHBondContact O-CB 3.21Å; A611-K615 PolarHBondContact O-N 3.36Å; I613-K615 PolarHBondContact O-N 3.07Å; K615-E618 VanDerWaalsContact CD-OE2 3.3Å; K615-E618 WeakPolarHBondContact CD-OE2 3.46Å; K615-E618 WeakPolarHBondContact CE-OE2 3.35Å; K615-E618 IonicContact NZ-OE1 2.9Å; K615-E618 PolarHBondContact NZ-OE1 3.41Å; K615-E618 IonicContact NZ-OE2 3.45Å; K615-E618 PolarHBondContact NZ-OE2 3.41Å; K615-Y619 WeakPolarHBondContact O-CB 3.44Å; K615-Y619 PolarHBondContact O-N 3.38Å; K615-Y619 VanDerWaalsContact O-N 3.11Å
616	Y	89.1	Confident	85.8	Confident	93 Å²	93	63.9 Å²	63.9	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-45.2	171.6	178.2	-85.5	0	0	0	111.3	I504 T612 I613 Y614 Y619 K620	I504-Y616 HydrophobicContact CG2-CE1 4.46Å; T612-Y616 VanDerWaalsContact O-CB 3.29Å; T612-Y616 WeakPolarHBondContact O-CB 3.39Å; T612-Y616 PolarHBondContact O-N 2.85Å; I613-Y616 PolarHBondContact O-N 3.42Å; Y614-Y616 VanDerWaalsContact C-N 3.34Å; Y614-Y616 PolarHBondContact O-N 3.22Å; Y616-Y619 PolarHBondContact O-N 3.08Å; Y616-K620 HydrophobicContact CD1-CG 4.09Å; Y616-K620 HydrophobicContact CE1-CD 4.47Å; Y616-K620 HydrophobicContact CE1-CG 3.7Å; Y616-K620 WeakPolarHBondContact O-CG 3.33Å; Y616-K620 PolarHBondContact O-N 3.31Å; Y616-K620 WeakPolarHBondContact OH-CE 3.16Å
617	I	87.3	Confident	85.6	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-49.5	178.3	-67.8	164.9	0	0	0	110.5	E173 I180 V503 I504 I613 Y614 Y619 K620 G621	E173-I617 HydrophobicContact CB-CG2 4.21Å; E173-I617 HydrophobicContact CG-CG2 4.34Å; I180-I617 HydrophobicContact CD1-CD1 4.4Å; V503-I617 HydrophobicContact CG1-CB 4.2Å; V503-I617 HydrophobicContact CG1-CD1 4.33Å; V503-I617 HydrophobicContact CG1-CG1 4.02Å; V503-I617 HydrophobicContact CG1-CG2 3.21Å; I504-I617 HydrophobicContact CD1-CD1 4.27Å; I504-I617 HydrophobicContact CD1-CG1 4.13Å; I504-I617 HydrophobicContact CG1-CG1 4.06Å; I613-I617 HydrophobicContact CG2-CD1 3.75Å; I613-I617 VanDerWaalsContact O-CG1 3.3Å; I613-I617 WeakPolarHBondContact O-CG1 3.31Å; I613-I617 PolarHBondContact O-N 3.47Å; Y614-I617 PolarHBondContact O-N 3.01Å; I617-Y619 VanDerWaalsContact C-N 3.26Å; I617-Y619 PolarHBondContact O-N 2.93Å; I617-K620 CarbonylContact O-C 3.59Å; I617-K620 WeakPolarHBondContact O-CA 3.25Å; I617-K620 PolarHBondContact O-N 3.13Å; I617-G621 PolarHBondContact O-N 3.02Å
618	E	85.2	Confident	85.4	Confident	39 Å²	39	66.7 Å²	66.7	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-51.3	-47.2	176.7	-154.4	-169.8	127.8	0	0	110.6	E173 Y614 K615 K620 G621 A622 F633	E173-E618 HydrophobicContact CG-CB 4.32Å; E173-E618 HydrophobicContact CG-CG 4.33Å; Y614-E618 WeakPolarHBondContact CE1-OE2 3.37Å; Y614-E618 WeakPolarHBondContact O-CB 3.31Å; Y614-E618 PolarHBondContact O-N 3.11Å; K615-E618 VanDerWaalsContact CD-OE2 3.3Å; K615-E618 WeakPolarHBondContact CD-OE2 3.46Å; K615-E618 WeakPolarHBondContact CE-OE2 3.35Å; K615-E618 IonicContact NZ-OE1 2.9Å; K615-E618 PolarHBondContact NZ-OE1 3.41Å; K615-E618 IonicContact NZ-OE2 3.45Å; K615-E618 PolarHBondContact NZ-OE2 3.41Å; E618-K620 PolarHBondContact O-N 3.39Å; E618-G621 PolarHBondContact O-N 3.49Å; E618-A622 WeakPolarHBondContact O-CB 3.35Å; E618-A622 PolarHBondContact O-N 2.9Å; E618-F633 VanDerWaalsContact C-CE1 3.47Å; E618-F633 HydrophobicContact CB-CE1 4.03Å; E618-F633 HydrophobicContact CB-CZ 4.39Å; E618-F633 HydrophobicContact CG-CE1 3.74Å; E618-F633 HydrophobicContact CG-CZ 4.44Å; E618-F633 WeakPolarHBondContact O-CE1 3.47Å
619	Y	85.7	Confident	84.9	Confident	79 Å²	79	62.7 Å²	62.7	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-35.9	177.2	177.1	-101.6	0	0	0	113.4	K615 Y616 I617 K623 L630 F633	K615-Y619 WeakPolarHBondContact O-CB 3.44Å; K615-Y619 PolarHBondContact O-N 3.38Å; K615-Y619 VanDerWaalsContact O-N 3.11Å; Y616-Y619 PolarHBondContact O-N 3.08Å; I617-Y619 VanDerWaalsContact C-N 3.26Å; I617-Y619 PolarHBondContact O-N 2.93Å; Y619-K623 VanDerWaalsContact O-CB 3.25Å; Y619-K623 WeakPolarHBondContact O-CB 3.32Å; Y619-K623 PolarHBondContact O-N 3.27Å; Y619-L630 HydrophobicContact CE2-CD2 4.39Å; Y619-L630 HydrophobicContact CE2-CG 4.29Å; Y619-F633 VanDerWaalsContact CA-CZ 3.42Å; Y619-F633 HydrophobicContact CD2-CE2 4.04Å; Y619-F633 HydrophobicContact CD2-CZ 4.15Å; Y619-F633 HydrophobicContact CG-CZ 4.45Å
620	K	85.6	Confident	84.7	Confident	65 Å²	65	64 Å²	64	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-72.4	-39.7	175.6	-70.8	-62.3	-171.9	177.3	0	112.2	P505 Y616 I617 E618 K623 K624	P505-K620 HydrophobicContact CG-CD 4.47Å; Y616-K620 HydrophobicContact CD1-CG 4.09Å; Y616-K620 HydrophobicContact CE1-CD 4.47Å; Y616-K620 HydrophobicContact CE1-CG 3.7Å; Y616-K620 WeakPolarHBondContact O-CG 3.33Å; Y616-K620 PolarHBondContact O-N 3.31Å; Y616-K620 WeakPolarHBondContact OH-CE 3.16Å; I617-K620 CarbonylContact O-C 3.59Å; I617-K620 WeakPolarHBondContact O-CA 3.25Å; I617-K620 PolarHBondContact O-N 3.13Å; E618-K620 PolarHBondContact O-N 3.39Å; K620-K623 PolarHBondContact O-N 3.42Å; K620-K624 VanDerWaalsContact O-CB 3.3Å; K620-K624 WeakPolarHBondContact O-CB 3.26Å; K620-K624 PolarHBondContact O-N 2.87Å
621	G	82.4	Confident	84.5	Confident	22 Å²	22	72.7 Å²	72.7	23%	0.227	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-58.2	172.5	0	0	0	0	0	111	I617 E618 K623 K624 E625	I617-G621 PolarHBondContact O-N 3.02Å; E618-G621 PolarHBondContact O-N 3.49Å; G621-K623 PolarHBondContact O-N 3.41Å; G621-K623 VanDerWaalsContact O-N 3.17Å; G621-K624 WeakPolarHBondContact O-CA 3.46Å; G621-K624 WeakPolarHBondContact O-CB 3.46Å; G621-K624 PolarHBondContact O-N 3.44Å; G621-E625 PolarHBondContact O-N 3.43Å
622	A	80.8	Confident	84.1	Confident	6 Å²	6	70.1 Å²	70.1	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-37.8	177.2	0	0	0	0	0	113	E618 W626 F633	E618-A622 WeakPolarHBondContact O-CB 3.35Å; E618-A622 PolarHBondContact O-N 2.9Å; A622-W626 WeakPolarHBondContact O-CB 3.27Å; A622-W626 PolarHBondContact O-N 3.28Å; A622-F633 HydrophobicContact CB-CD1 3.58Å; A622-F633 HydrophobicContact CB-CE1 3.83Å; A622-F633 HydrophobicContact CB-CG 4.38Å
623	K	85.1	Confident	83.7	Confident	98 Å²	98	68.7 Å²	68.7	43%	0.426	32%	0.322	S	S	.	.	H	α-helix	trans	-71.3	-30.9	175.4	-173.6	165.8	-176.4	167.4	0	113.5	Y619 K620 G621 G627	Y619-K623 VanDerWaalsContact O-CB 3.25Å; Y619-K623 WeakPolarHBondContact O-CB 3.32Å; Y619-K623 PolarHBondContact O-N 3.27Å; K620-K623 PolarHBondContact O-N 3.42Å; G621-K623 PolarHBondContact O-N 3.41Å; G621-K623 VanDerWaalsContact O-N 3.17Å; K623-G627 WeakPolarHBondContact CE-O 3.44Å; K623-G627 WeakPolarHBondContact CG-O 3.38Å; K623-G627 CarbonylContact O-C 3.56Å; K623-G627 WeakPolarHBondContact O-CA 3.36Å; K623-G627 PolarHBondContact O-N 3.31Å
624	K	81	Confident	83.6	Confident	124 Å²	124	69.8 Å²	69.8	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-76.9	-36.5	178.7	-176.6	168.5	172.3	171.8	0	111.7	D501 D502 K620 G621	D501-K624 PolarHBondContact O-NZ 3.04Å; D502-K624 PolarHBondContact O-NZ 2.86Å; D502-K624 VanDerWaalsContact O-NZ 3.16Å; D502-K624 IonicContact OD2-NZ 3.96Å; D502-K624 PolarHBondContact OD2-NZ 3.32Å; K620-K624 VanDerWaalsContact O-CB 3.3Å; K620-K624 WeakPolarHBondContact O-CB 3.26Å; K620-K624 PolarHBondContact O-N 2.87Å; G621-K624 WeakPolarHBondContact O-CA 3.46Å; G621-K624 WeakPolarHBondContact O-CB 3.46Å; G621-K624 PolarHBondContact O-N 3.44Å
625	E	79.4	Confident	83.5	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-74.5	-46.9	176	-66.7	-179.5	155.9	0	0	112.7	G621 S636	G621-E625 PolarHBondContact O-N 3.43Å; E625-S636 PolarHBondContact OE2-OG 2.89Å
626	W	83.3	Confident	83	Confident	102 Å²	102	67.4 Å²	67.4	39%	0.386	34%	0.335	S	S	.	.	H	α-helix	trans	-113.2	6.1	-169.2	-54.8	96.1	0	0	0	114.7	A622 D628 L635 S636	A622-W626 WeakPolarHBondContact O-CB 3.27Å; A622-W626 PolarHBondContact O-N 3.28Å; W626-D628 PolarHBondContact O-N 2.88Å; W626-L635 HydrophobicContact CB-CD1 4.35Å; W626-L635 HydrophobicContact CD2-CB 3.72Å; W626-L635 HydrophobicContact CD2-CD1 3.85Å; W626-L635 HydrophobicContact CD2-CG 4.43Å; W626-L635 HydrophobicContact CE3-CB 3.9Å; W626-L635 HydrophobicContact CE3-CD1 3.52Å; W626-L635 HydrophobicContact CE3-CG 4.27Å; W626-L635 HydrophobicContact CG-CB 4.31Å; W626-L635 HydrophobicContact CG-CD1 4.23Å; W626-L635 HydrophobicContact CH2-CB 4Å; W626-L635 HydrophobicContact CZ2-CB 3.83Å; W626-L635 HydrophobicContact CZ3-CB 4.04Å; W626-L635 HydrophobicContact CZ3-CD1 4.07Å; W626-L635 HydrophobicContact CZ3-CG 4.49Å; W626-S636 PolarHBondContact NE1-OG 2.89Å
627	G	81	Confident	82.9	Confident	56 Å²	56	67.2 Å²	67.2	58%	0.577	34%	0.344	S	S	*	.	S	Bend	trans	75.1	-30.3	-179.1	0	0	0	0	0	115.5	K623	K623-G627 WeakPolarHBondContact CE-O 3.44Å; K623-G627 WeakPolarHBondContact CG-O 3.38Å; K623-G627 CarbonylContact O-C 3.56Å; K623-G627 WeakPolarHBondContact O-CA 3.36Å; K623-G627 PolarHBondContact O-N 3.31Å
628	D	83.3	Confident	82.9	Confident	57 Å²	57	69.3 Å²	69.3	31%	0.305	36%	0.362	S	S	.	.	S	Bend	trans	-124.6	129.2	172.3	172.4	26.8	0	0	0	110.2	W626 L630 R631 G632	W626-D628 PolarHBondContact O-N 2.88Å; D628-L630 PolarHBondContact OD1-N 3.16Å; D628-R631 HydrophobicContact CB-CB 4.31Å; D628-R631 WeakPolarHBondContact OD2-CB 3.4Å; D628-R631 VanDerWaalsContact OD2-CD 3.31Å; D628-R631 WeakPolarHBondContact OD2-CD 3.34Å; D628-R631 WeakPolarHBondContact OD2-CG 3.36Å; D628-R631 PolarHBondContact OD2-N 3.07Å; D628-R631 IonicContact OD2-NE 3.1Å; D628-G632 WeakPolarHBondContact O-CA 3.38Å; D628-G632 PolarHBondContact O-N 3.18Å
629	G	78.4	Confident	82.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-71.3	-37.1	-174.7	0	0	0	0	0	114.1	G632 F633	G629-G632 PolarHBondContact O-N 3.49Å; G629-F633 WeakPolarHBondContact O-CD2 3.28Å; G629-F633 VanDerWaalsContact O-CG 3.31Å; G629-F633 WeakPolarHBondContact O-CG 3.42Å; G629-F633 PolarHBondContact O-N 2.64Å
630	L	82.5	Confident	82.7	Confident	120 Å²	120	72.6 Å²	72.6	63%	0.628	38%	0.377	S	S	*	.	H	α-helix	trans	-75.9	-40	-178.4	-68.5	-178.5	0	0	0	112.1	Y619 D628 F633	Y619-L630 HydrophobicContact CE2-CD2 4.39Å; Y619-L630 HydrophobicContact CE2-CG 4.29Å; D628-L630 PolarHBondContact OD1-N 3.16Å; L630-F633 HydrophobicContact CD2-CD2 4.1Å; L630-F633 HydrophobicContact CD2-CE2 4.2Å
631	R	82.6	Confident	82.6	Confident	186 Å²	186	72 Å²	72	70%	0.702	38%	0.381	S	S	*	.	H	α-helix	trans	-69	-36.7	169.6	-71.8	174.8	179.3	-175.4	1	111.8	D628 F633 A634 L635	D628-R631 HydrophobicContact CB-CB 4.31Å; D628-R631 WeakPolarHBondContact OD2-CB 3.4Å; D628-R631 VanDerWaalsContact OD2-CD 3.31Å; D628-R631 WeakPolarHBondContact OD2-CD 3.34Å; D628-R631 WeakPolarHBondContact OD2-CG 3.36Å; D628-R631 PolarHBondContact OD2-N 3.07Å; D628-R631 IonicContact OD2-NE 3.1Å; R631-F633 PolarHBondContact O-N 3.32Å; R631-A634 PolarHBondContact O-N 3.49Å; R631-A634 VanDerWaalsContact O-N 3.12Å; R631-L635 WeakPolarHBondContact O-CG 3.49Å; R631-L635 PolarHBondContact O-N 3.32Å
632	G	79.5	Confident	82.7	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.1	-44.5	175.4	0	0	0	0	0	112.7	D628 G629 A634 L635 S636	D628-G632 WeakPolarHBondContact O-CA 3.38Å; D628-G632 PolarHBondContact O-N 3.18Å; G629-G632 PolarHBondContact O-N 3.49Å; G632-A634 VanDerWaalsContact C-N 3.32Å; G632-A634 PolarHBondContact O-N 3.37Å; G632-L635 PolarHBondContact O-N 3.06Å; G632-L635 VanDerWaalsContact O-N 3.12Å; G632-S636 PolarHBondContact O-N 3.33Å; G632-S636 PolarHBondContact O-OG 3.14Å
633	F	81.5	Confident	82.8	Confident	53 Å²	53	76 Å²	76	23%	0.232	40%	0.396	C	S	.	.	H	α-helix	trans	-53.8	-46.6	171.8	-69.2	-33.2	0	0	0	112.7	E618 Y619 A622 G629 L630 R631 L635 T637	E618-F633 VanDerWaalsContact C-CE1 3.47Å; E618-F633 HydrophobicContact CB-CE1 4.03Å; E618-F633 HydrophobicContact CB-CZ 4.39Å; E618-F633 HydrophobicContact CG-CE1 3.74Å; E618-F633 HydrophobicContact CG-CZ 4.44Å; E618-F633 WeakPolarHBondContact O-CE1 3.47Å; Y619-F633 VanDerWaalsContact CA-CZ 3.42Å; Y619-F633 HydrophobicContact CD2-CE2 4.04Å; Y619-F633 HydrophobicContact CD2-CZ 4.15Å; Y619-F633 HydrophobicContact CG-CZ 4.45Å; A622-F633 HydrophobicContact CB-CD1 3.58Å; A622-F633 HydrophobicContact CB-CE1 3.83Å; A622-F633 HydrophobicContact CB-CG 4.38Å; G629-F633 WeakPolarHBondContact O-CD2 3.28Å; G629-F633 VanDerWaalsContact O-CG 3.31Å; G629-F633 WeakPolarHBondContact O-CG 3.42Å; G629-F633 PolarHBondContact O-N 2.64Å; L630-F633 HydrophobicContact CD2-CD2 4.1Å; L630-F633 HydrophobicContact CD2-CE2 4.2Å; R631-F633 PolarHBondContact O-N 3.32Å; F633-L635 VanDerWaalsContact C-N 3.33Å; F633-L635 PolarHBondContact O-N 3.1Å; F633-T637 VanDerWaalsContact O-CB 3.25Å; F633-T637 WeakPolarHBondContact O-CB 3.35Å; F633-T637 PolarHBondContact O-N 3.19Å; F633-T637 PolarHBondContact O-OG1 3.35Å
634	A	85.1	Confident	82.3	Confident	62 Å²	62	75.2 Å²	75.2	51%	0.512	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-35.7	179.1	0	0	0	0	0	112.3	R631 G632 A638	R631-A634 PolarHBondContact O-N 3.49Å; R631-A634 VanDerWaalsContact O-N 3.12Å; G632-A634 VanDerWaalsContact C-N 3.32Å; G632-A634 PolarHBondContact O-N 3.37Å; A634-A638 VanDerWaalsContact O-CB 3.29Å; A634-A638 WeakPolarHBondContact O-CB 3.28Å; A634-A638 PolarHBondContact O-N 3.26Å
635	L	86.9	Confident	82.2	Confident	79 Å²	79	72.5 Å²	72.5	41%	0.414	38%	0.384	S	S	.	.	H	α-helix	trans	-74	-49.1	179.3	-68.4	168.3	0	0	0	112.2	W626 R631 G632 F633 T637 A638 Q639	W626-L635 HydrophobicContact CB-CD1 4.35Å; W626-L635 HydrophobicContact CD2-CB 3.72Å; W626-L635 HydrophobicContact CD2-CD1 3.85Å; W626-L635 HydrophobicContact CD2-CG 4.43Å; W626-L635 HydrophobicContact CE3-CB 3.9Å; W626-L635 HydrophobicContact CE3-CD1 3.52Å; W626-L635 HydrophobicContact CE3-CG 4.27Å; W626-L635 HydrophobicContact CG-CB 4.31Å; W626-L635 HydrophobicContact CG-CD1 4.23Å; W626-L635 HydrophobicContact CH2-CB 4Å; W626-L635 HydrophobicContact CZ2-CB 3.83Å; W626-L635 HydrophobicContact CZ3-CB 4.04Å; W626-L635 HydrophobicContact CZ3-CD1 4.07Å; W626-L635 HydrophobicContact CZ3-CG 4.49Å; R631-L635 WeakPolarHBondContact O-CG 3.49Å; R631-L635 PolarHBondContact O-N 3.32Å; G632-L635 PolarHBondContact O-N 3.06Å; G632-L635 VanDerWaalsContact O-N 3.12Å; F633-L635 VanDerWaalsContact C-N 3.33Å; F633-L635 PolarHBondContact O-N 3.1Å; L635-T637 VanDerWaalsContact C-N 3.31Å; L635-T637 PolarHBondContact O-N 3.06Å; L635-A638 PolarHBondContact O-N 2.97Å; L635-A638 VanDerWaalsContact O-N 3.15Å; L635-Q639 WeakPolarHBondContact O-CB 3.35Å; L635-Q639 PolarHBondContact O-N 2.99Å
636	S	78.1	Confident	82.1	Confident	35 Å²	35	70.7 Å²	70.7	25%	0.245	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-40.3	173.6	-58.8	0	0	0	0	111.6	E625 W626 G632 Q639 Y640	E625-S636 PolarHBondContact OE2-OG 2.89Å; W626-S636 PolarHBondContact NE1-OG 2.89Å; G632-S636 PolarHBondContact O-N 3.33Å; G632-S636 PolarHBondContact O-OG 3.14Å; S636-Q639 PolarHBondContact O-N 2.89Å; S636-Y640 VanDerWaalsContact O-CB 3.32Å; S636-Y640 WeakPolarHBondContact O-CB 3.45Å; S636-Y640 PolarHBondContact O-N 3.49Å
637	T	85.6	Confident	81.3	Confident	89 Å²	89	71.4 Å²	71.4	55%	0.546	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-43.7	174.7	-55.3	0	0	0	0	111.3	F633 L635 S641	F633-T637 VanDerWaalsContact O-CB 3.25Å; F633-T637 WeakPolarHBondContact O-CB 3.35Å; F633-T637 PolarHBondContact O-N 3.19Å; F633-T637 PolarHBondContact O-OG1 3.35Å; L635-T637 VanDerWaalsContact C-N 3.31Å; L635-T637 PolarHBondContact O-N 3.06Å; T637-S641 WeakPolarHBondContact O-CB 3.35Å; T637-S641 PolarHBondContact O-N 3.02Å; T637-S641 PolarHBondContact O-OG 3.35Å
638	A	88	Confident	80.5	Confident	49 Å²	49	70.3 Å²	70.3	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-40.9	179	0	0	0	0	0	112.3	A634 L635 S641 L642	A634-A638 VanDerWaalsContact O-CB 3.29Å; A634-A638 WeakPolarHBondContact O-CB 3.28Å; A634-A638 PolarHBondContact O-N 3.26Å; L635-A638 PolarHBondContact O-N 2.97Å; L635-A638 VanDerWaalsContact O-N 3.15Å; A638-S641 PolarHBondContact O-N 3.47Å; A638-L642 WeakPolarHBondContact O-CB 3.14Å; A638-L642 WeakPolarHBondContact O-CG 3.31Å; A638-L642 PolarHBondContact O-N 2.84Å
639	Q	85.9	Confident	79.2	Confident	100 Å²	100	71.8 Å²	71.8	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-48.5	175.7	-177	-176.8	2.8	0	0	111.6	L635 S636 S641 L642 L643	L635-Q639 WeakPolarHBondContact O-CB 3.35Å; L635-Q639 PolarHBondContact O-N 2.99Å; S636-Q639 PolarHBondContact O-N 2.89Å; Q639-S641 VanDerWaalsContact C-N 3.33Å; Q639-S641 PolarHBondContact O-N 3.38Å; Q639-L642 WeakPolarHBondContact O-CB 3.48Å; Q639-L642 PolarHBondContact O-N 3.41Å; Q639-L643 HydrophobicContact CG-CD1 4.24Å; Q639-L643 WeakPolarHBondContact O-CG 3.4Å; Q639-L643 PolarHBondContact O-N 3.06Å
640	Y	80.3	Confident	77.9	Confident	86 Å²	86	80 Å²	80	34%	0.337	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-44.8	176.5	-174.7	-97.8	0	0	0	111.5	S636 L642 L643 Q644	S636-Y640 VanDerWaalsContact O-CB 3.32Å; S636-Y640 WeakPolarHBondContact O-CB 3.45Å; S636-Y640 PolarHBondContact O-N 3.49Å; Y640-L642 VanDerWaalsContact C-N 3.32Å; Y640-L642 PolarHBondContact O-N 2.85Å; Y640-L643 PolarHBondContact O-N 3.32Å; Y640-Q644 HydrophobicContact CD1-CG 4.27Å; Y640-Q644 HydrophobicContact CE1-CG 3.86Å; Y640-Q644 VanDerWaalsContact CE1-OE1 3.3Å; Y640-Q644 WeakPolarHBondContact O-CG 3.22Å; Y640-Q644 PolarHBondContact O-N 2.91Å; Y640-Q644 PolarHBondContact OH-NE2 3.12Å
641	S	83.9	Confident	76.4	Confident	53 Å²	53	78.5 Å²	78.5	37%	0.371	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-39.4	175.7	-53.5	0	0	0	0	112.4	T637 A638 Q639 I645	T637-S641 WeakPolarHBondContact O-CB 3.35Å; T637-S641 PolarHBondContact O-N 3.02Å; T637-S641 PolarHBondContact O-OG 3.35Å; A638-S641 PolarHBondContact O-N 3.47Å; Q639-S641 VanDerWaalsContact C-N 3.33Å; Q639-S641 PolarHBondContact O-N 3.38Å; S641-I645 WeakPolarHBondContact O-CD1 3.47Å; S641-I645 VanDerWaalsContact O-CG1 3.25Å; S641-I645 WeakPolarHBondContact O-CG1 3.37Å; S641-I645 PolarHBondContact O-N 2.97Å; S641-I645 VanDerWaalsContact O-N 3.1Å
642	L	85.3	Confident	75	Confident	30 Å²	30	76.3 Å²	76.3	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-65.8	-44.8	177.5	-84.9	166.8	0	0	0	112.2	A638 Q639 Y640 I645 E646 I751 L754	A638-L642 WeakPolarHBondContact O-CB 3.14Å; A638-L642 WeakPolarHBondContact O-CG 3.31Å; A638-L642 PolarHBondContact O-N 2.84Å; Q639-L642 WeakPolarHBondContact O-CB 3.48Å; Q639-L642 PolarHBondContact O-N 3.41Å; Y640-L642 VanDerWaalsContact C-N 3.32Å; Y640-L642 PolarHBondContact O-N 2.85Å; L642-I645 PolarHBondContact O-N 3.11Å; L642-E646 PolarHBondContact O-N 3.06Å; L642-I751 HydrophobicContact CD1-CD1 4.3Å; L642-I751 HydrophobicContact CD1-CG1 4.42Å; L642-I751 HydrophobicContact CD1-CG2 3.86Å; L642-I751 HydrophobicContact CD2-CG2 4.01Å; L642-L754 HydrophobicContact CD2-CB 4.06Å; L642-L754 HydrophobicContact CD2-CD1 3.81Å; L642-L754 HydrophobicContact CD2-CG 3.7Å
643	L	81.4	Confident	74	Confident	82 Å²	82	78.5 Å²	78.5	43%	0.429	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-42.7	177.8	-68.3	169.1	0	0	0	111.6	Q639 Y640 I645 E646 D647	Q639-L643 HydrophobicContact CG-CD1 4.24Å; Q639-L643 WeakPolarHBondContact O-CG 3.4Å; Q639-L643 PolarHBondContact O-N 3.06Å; Y640-L643 PolarHBondContact O-N 3.32Å; L643-I645 VanDerWaalsContact C-N 3.27Å; L643-I645 PolarHBondContact O-N 2.87Å; L643-E646 PolarHBondContact O-N 3.18Å; L643-E646 VanDerWaalsContact O-N 3.15Å; L643-D647 PolarHBondContact O-N 3.31Å; L643-D647 VanDerWaalsContact O-N 3.08Å
644	Q	75.7	Confident	73.1	Confident	81 Å²	81	78.4 Å²	78.4	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-61.9	-33.8	173.7	-74.3	-165.4	-49.1	0	0	113	Y640	Y640-Q644 HydrophobicContact CD1-CG 4.27Å; Y640-Q644 HydrophobicContact CE1-CG 3.86Å; Y640-Q644 VanDerWaalsContact CE1-OE1 3.3Å; Y640-Q644 WeakPolarHBondContact O-CG 3.22Å; Y640-Q644 PolarHBondContact O-N 2.91Å; Y640-Q644 PolarHBondContact OH-NE2 3.12Å
645	I	78.5	Confident	72.5	Confident	67 Å²	67	77.9 Å²	77.9	34%	0.344	42%	0.415	S	S	.	.	H	α-helix	trans	-70.2	-41.4	173.6	-70	164	0	0	0	110.4	S641 L642 L643 S648 V649	S641-I645 WeakPolarHBondContact O-CD1 3.47Å; S641-I645 VanDerWaalsContact O-CG1 3.25Å; S641-I645 WeakPolarHBondContact O-CG1 3.37Å; S641-I645 PolarHBondContact O-N 2.97Å; S641-I645 VanDerWaalsContact O-N 3.1Å; L642-I645 PolarHBondContact O-N 3.11Å; L643-I645 VanDerWaalsContact C-N 3.27Å; L643-I645 PolarHBondContact O-N 2.87Å; I645-S648 WeakPolarHBondContact CA-OG 3.4Å; I645-S648 CarbonylContact O-C 3.59Å; I645-S648 WeakPolarHBondContact O-CA 3.49Å; I645-S648 WeakPolarHBondContact O-CB 3.4Å; I645-S648 PolarHBondContact O-N 3.31Å; I645-S648 PolarHBondContact O-OG 3.2Å; I645-V649 PolarHBondContact O-N 3.1Å
646	E	78.3	Confident	72.2	Confident	98 Å²	98	75.7 Å²	75.7	46%	0.458	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-45.1	-178.5	-168.5	150.5	-150.2	0	0	112.5	L642 L643 S648 V649	L642-E646 PolarHBondContact O-N 3.06Å; L643-E646 PolarHBondContact O-N 3.18Å; L643-E646 VanDerWaalsContact O-N 3.15Å; E646-S648 PolarHBondContact O-N 3.13Å; E646-S648 VanDerWaalsContact O-N 3.11Å; E646-V649 WeakPolarHBondContact O-CB 3.41Å; E646-V649 WeakPolarHBondContact O-CG2 3.45Å; E646-V649 PolarHBondContact O-N 2.88Å
647	D	66.8	Low	72.6	Confident	117 Å²	117	78.3 Å²	78.3	63%	0.626	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.2	171.3	-82.1	-18.4	0	0	0	113.1	L643	L643-D647 PolarHBondContact O-N 3.31Å; L643-D647 VanDerWaalsContact O-N 3.08Å
648	S	63.8	Low	72.8	Confident	32 Å²	32	74.2 Å²	74.2	22%	0.224	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.9	-178.7	79.4	0	0	0	0	115.2	I645 E646 H650 T651	I645-S648 WeakPolarHBondContact CA-OG 3.4Å; I645-S648 CarbonylContact O-C 3.59Å; I645-S648 WeakPolarHBondContact O-CA 3.49Å; I645-S648 WeakPolarHBondContact O-CB 3.4Å; I645-S648 PolarHBondContact O-N 3.31Å; I645-S648 PolarHBondContact O-OG 3.2Å; E646-S648 PolarHBondContact O-N 3.13Å; E646-S648 VanDerWaalsContact O-N 3.11Å; S648-H650 PolarHBondContact O-N 3.42Å; S648-T651 PolarHBondContact O-N 3.37Å; S648-T651 PolarHBondContact O-OG1 3.21Å; S648-T651 VanDerWaalsContact O-OG1 3.07Å
649	V	54.6	Low	72.9	Confident	88 Å²	88	74.3 Å²	74.3	53%	0.533	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.2	-170.7	164.2	0	0	0	0	113.8	I645 E646 T651	I645-V649 PolarHBondContact O-N 3.1Å; E646-V649 WeakPolarHBondContact O-CB 3.41Å; E646-V649 WeakPolarHBondContact O-CG2 3.45Å; E646-V649 PolarHBondContact O-N 2.88Å; V649-T651 PolarHBondContact O-N 3.13Å
650	H	52	Low	73.3	Confident	173 Å²	173	69.5 Å²	69.5	80%	0.801	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.8	-179.6	-64.4	-67.7	0	0	0	115.9	S648	S648-H650 PolarHBondContact O-N 3.42Å
651	T	51	Low	74	Confident	89 Å²	89	65.4 Å²	65.4	55%	0.546	34%	0.335	S	S	.	.	S	Bend	trans	-123.6	-0.7	-162.9	58.2	0	0	0	0	117.7	S648 V649	S648-T651 PolarHBondContact O-N 3.37Å; S648-T651 PolarHBondContact O-OG1 3.21Å; S648-T651 VanDerWaalsContact O-OG1 3.07Å; V649-T651 PolarHBondContact O-N 3.13Å
652	H	53.7	Low	74.6	Confident	140 Å²	140	63 Å²	63	65%	0.648	32%	0.317	S	S	*	.			trans	-120.5	19.2	-172.5	-65.6	-27.5	0	0	0	120.5	K654	H652-K654 PolarHBondContact O-N 3.15Å
653	P	57.2	Low	74.9	Confident	46 Å²	46	62.9 Å²	62.9	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.2	176.2	29.1	-34.4	0	0	0	115.1	N655 L908	P653-N655 PolarHBondContact O-N 2.93Å; P653-L908 HydrophobicContact CB-CD1 3.99Å; P653-L908 HydrophobicContact CB-CD2 4.38Å; P653-L908 HydrophobicContact CG-CD1 3.61Å; P653-L908 HydrophobicContact CG-CD2 3.26Å; P653-L908 HydrophobicContact CG-CG 4.02Å
654	K	63.3	Low	75.4	Confident	51 Å²	51	59.4 Å²	59.4	22%	0.222	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.6	-179.6	-64.4	-160.2	171.1	-169	0	115.3	H652 L908 H909 L910 E914 T1099	H652-K654 PolarHBondContact O-N 3.15Å; K654-L908 WeakPolarHBondContact CE-O 3.34Å; K654-H909 PolarHBondContact NZ-O 3.07Å; K654-L910 HydrophobicContact CD-CD2 3.76Å; K654-L910 HydrophobicContact CG-CD2 3.88Å; K654-E914 WeakPolarHBondContact CD-OE1 3.47Å; K654-E914 VanDerWaalsContact NZ-CD 3.27Å; K654-E914 IonicContact NZ-OE1 3.44Å; K654-E914 PolarHBondContact NZ-OE1 2.97Å; K654-E914 IonicContact NZ-OE2 3.57Å; K654-E914 PolarHBondContact NZ-OE2 2.73Å; K654-T1099 WeakPolarHBondContact O-CG2 3.16Å; K654-T1099 PolarHBondContact O-N 3.35Å; K654-T1099 PolarHBondContact O-OG1 3.29Å
655	N	71.6	Confident	75.8	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.273	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-141.3	75.7	176	-83.2	-66.5	0	0	0	111.8	P653 T1099 M1100	P653-N655 PolarHBondContact O-N 2.93Å; N655-T1099 PolarHBondContact ND2-OG1 3.37Å; N655-T1099 PolarHBondContact OD1-N 2.7Å; N655-T1099 PolarHBondContact OD1-OG1 3.01Å; N655-M1100 WeakPolarHBondContact ND2-CE 3.47Å; N655-M1100 WeakPolarHBondContact OD1-CB 3.43Å; N655-M1100 PolarHBondContact OD1-N 3.44Å
656	W	81.6	Confident	76	Confident	33 Å²	33	57.5 Å²	57.5	13%	0.125	29%	0.29	C	S	.	.			trans	-60	140	174.6	-170.8	102.9	0	0	0	112.1	P658 N757 T758 C794 L826 L829 E1096 V1097 I1098	W656-P658 VanDerWaalsContact CH2-CA 3.45Å; W656-P658 HydrophobicContact CH2-CB 3.65Å; W656-P658 HydrophobicContact CZ3-CB 3.78Å; W656-P658 HydrophobicContact CZ3-CG 4.17Å; W656-P658 VanDerWaalsContact CZ3-N 3.32Å; W656-N757 HydrophobicContact CZ2-CB 4.45Å; W656-N757 WeakPolarHBondContact CZ2-OD1 3.21Å; W656-N757 PolarHBondContact NE1-ND2 3.43Å; W656-T758 VanDerWaalsContact CH2-OG1 3.24Å; W656-T758 WeakPolarHBondContact CH2-OG1 3.36Å; W656-T758 WeakPolarHBondContact CZ2-OG1 3.21Å; W656-C794 HydrophobicContact CH2-CB 4.22Å; W656-C794 HydrophobicContact CZ2-CB 4.04Å; W656-C794 WeakPolarHBondContact CZ2-SG 3.4Å; W656-L826 HydrophobicContact CE3-CD1 4.31Å; W656-L826 HydrophobicContact CH2-CD1 3.72Å; W656-L826 HydrophobicContact CZ3-CD1 3.4Å; W656-L826 VanDerWaalsContact CZ3-CD1 3.4Å; W656-L829 HydrophobicContact CE3-CD2 4.19Å; W656-L829 HydrophobicContact CZ3-CD2 4.36Å; W656-E1096 HydrophobicContact CD2-CB 4.32Å; W656-E1096 HydrophobicContact CD2-CG 3.87Å; W656-E1096 HydrophobicContact CE3-CG 4.35Å; W656-E1096 HydrophobicContact CG-CB 4.21Å; W656-E1096 HydrophobicContact CG-CG 4.12Å; W656-E1096 HydrophobicContact CZ2-CG 4.21Å; W656-V1097 WeakPolarHBondContact CB-O 3.2Å; W656-V1097 PolarHBondContact N-O 3.22Å; W656-I1098 HydrophobicContact CB-CG1 4.08Å; W656-I1098 HydrophobicContact CE3-CD1 4.47Å
657	R	86	Confident	76.1	Confident	90 Å²	90	55.5 Å²	55.5	34%	0.34	28%	0.283	S	S	.	.			trans	-140.9	145.9	173.3	-68.8	-175.1	175.6	-92.4	6.5	110.9	Q659 N757 S1102	R657-Q659 PolarHBondContact O-N 3.1Å; R657-N757 PolarHBondContact O-ND2 2.71Å; R657-S1102 PolarHBondContact NH1-O 2.98Å; R657-S1102 PolarHBondContact NH2-O 3.21Å
658	P	89.3	Confident	76.4	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.019	29%	0.294	C	S	.	.			trans	-74.2	115.6	-174.4	27.7	-32.9	0	0	0	111.4	W656 L660 K685 T758 L833	W656-P658 VanDerWaalsContact CH2-CA 3.45Å; W656-P658 HydrophobicContact CH2-CB 3.65Å; W656-P658 HydrophobicContact CZ3-CB 3.78Å; W656-P658 HydrophobicContact CZ3-CG 4.17Å; W656-P658 VanDerWaalsContact CZ3-N 3.32Å; P658-L660 HydrophobicContact CB-CD2 4.35Å; P658-K685 PolarHBondContact O-NZ 3Å; P658-T758 WeakPolarHBondContact CA-OG1 3.13Å; P658-T758 HydrophobicContact CB-CG2 4.4Å; P658-L833 HydrophobicContact CG-CD1 3.99Å
659	Q	91.4	Very high	76.9	Confident	50 Å²	50	68.5 Å²	68.5	23%	0.234	32%	0.323	C	S	.	.			trans	-103.6	113.5	171	-49.7	-57.4	2.9	0	0	108.1	R657 L690 P756 N757 T758	R657-Q659 PolarHBondContact O-N 3.1Å; Q659-L690 HydrophobicContact CB-CB 4.18Å; Q659-L690 HydrophobicContact CG-CB 4.47Å; Q659-P756 WeakPolarHBondContact O-CA 3.3Å; Q659-N757 PolarHBondContact N-OD1 3.32Å; Q659-N757 PolarHBondContact O-N 3.23Å; Q659-N757 PolarHBondContact O-OD1 3.08Å; Q659-T758 PolarHBondContact O-N 2.98Å
660	L	94.4	Very high	78.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.5	-162.3	-60	-177.7	0	0	0	112.8	P658 I662 A681 L684 K685 L690 T691 I692 T758 L796	P658-L660 HydrophobicContact CB-CD2 4.35Å; L660-I662 HydrophobicContact CB-CG1 4.29Å; L660-A681 HydrophobicContact CD1-CB 4.02Å; L660-L684 HydrophobicContact CD1-CD2 4.41Å; L660-K685 HydrophobicContact CD1-CD 3.94Å; L660-K685 HydrophobicContact CD1-CG 3.57Å; L660-K685 HydrophobicContact CG-CD 4.03Å; L660-K685 HydrophobicContact CG-CG 4.21Å; L660-L690 PolarHBondContact N-O 3.17Å; L660-L690 VanDerWaalsContact N-O 3.14Å; L660-T691 HydrophobicContact CB-CG2 4.23Å; L660-T691 CarbonylContact O-C 3.56Å; L660-T691 WeakPolarHBondContact O-CA 3.44Å; L660-I692 PolarHBondContact O-N 3.1Å; L660-T758 CarbonylContact C-O 3.57Å; L660-T758 WeakPolarHBondContact CA-O 3.41Å; L660-T758 HydrophobicContact CD2-CG2 3.72Å; L660-L796 HydrophobicContact CD2-CD1 3.93Å
661	L	95.3	Very high	79.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.6	157.6	174.1	54.6	0	0	0	108.4	L663 I692 A694 V749 P756 T758 I759 M760	L661-L663 HydrophobicContact CD1-CD2 4.18Å; L661-L663 HydrophobicContact CD2-CD2 4.31Å; L661-L663 HydrophobicContact CG-CD2 3.96Å; L661-I692 CarbonylContact C-O 3.54Å; L661-I692 WeakPolarHBondContact CA-O 3.1Å; L661-I692 HydrophobicContact CD1-CB 4.37Å; L661-I692 HydrophobicContact CD1-CG2 4.24Å; L661-A694 HydrophobicContact CD1-CB 3.67Å; L661-V749 HydrophobicContact CD1-CG1 4.27Å; L661-P756 HydrophobicContact CB-CB 3.67Å; L661-P756 HydrophobicContact CB-CG 3.95Å; L661-P756 HydrophobicContact CD2-CG 4.28Å; L661-T758 PolarHBondContact N-O 3.01Å; L661-I759 HydrophobicContact CB-CG1 4.27Å; L661-I759 HydrophobicContact CD2-CG1 4.32Å; L661-I759 CarbonylContact O-C 3.41Å; L661-I759 WeakPolarHBondContact O-CA 3.33Å; L661-M760 PolarHBondContact O-N 3.43Å
662	I	94.7	Very high	81.2	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.6	-178.4	-50.9	-179.3	0	0	0	108.4	L660 L664 L678 A681 T691 I692 V693 A694 M760	L660-I662 HydrophobicContact CB-CG1 4.29Å; I662-L664 HydrophobicContact CG2-CD2 3.69Å; I662-L664 HydrophobicContact CG2-CG 4.06Å; I662-L678 HydrophobicContact CD1-CD2 4.3Å; I662-A681 HydrophobicContact CD1-CB 3.36Å; I662-T691 HydrophobicContact CD1-CG2 3.78Å; I662-T691 HydrophobicContact CG1-CG2 4.31Å; I662-I692 PolarHBondContact N-O 3.09Å; I662-V693 HydrophobicContact CB-CG2 4.43Å; I662-V693 HydrophobicContact CD1-CG2 4.21Å; I662-A694 PolarHBondContact O-N 3.39Å; I662-M760 HydrophobicContact CB-CE 4.49Å; I662-M760 HydrophobicContact CD1-CE 3.97Å; I662-M760 HydrophobicContact CG1-CB 4.49Å; I662-M760 HydrophobicContact CG1-CE 4.04Å; I662-M760 HydrophobicContact CG2-CE 3.76Å
663	L	92.7	Very high	82.8	Confident	27 Å²	27	57.7 Å²	57.7	14%	0.141	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.4	176.9	-58.6	-173.7	0	0	0	109.7	L661 A694 V742 L745 I759 M760 V761 A784	L661-L663 HydrophobicContact CD1-CD2 4.18Å; L661-L663 HydrophobicContact CD2-CD2 4.31Å; L661-L663 HydrophobicContact CG-CD2 3.96Å; L663-A694 HydrophobicContact CD2-CB 4.24Å; L663-V742 HydrophobicContact CD1-CG1 4.43Å; L663-L745 HydrophobicContact CD2-CD2 3.52Å; L663-I759 HydrophobicContact CD1-CG2 3.89Å; L663-I759 HydrophobicContact CG-CG2 4.06Å; L663-M760 PolarHBondContact N-O 3.34Å; L663-V761 HydrophobicContact CD1-CG2 4.15Å; L663-A784 HydrophobicContact CD1-CB 4.29Å
664	L	91	Very high	84.3	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.052	26%	0.255	C	S	.	.			trans	-102.5	156.6	175.7	-58.7	-174.9	0	0	0	110.8	I662 N674 A677 L678 V693 A694 T695 L717	I662-L664 HydrophobicContact CG2-CD2 3.69Å; I662-L664 HydrophobicContact CG2-CG 4.06Å; L664-N674 HydrophobicContact CD1-CB 4.26Å; L664-N674 HydrophobicContact CD2-CB 4.24Å; L664-A677 HydrophobicContact CD2-CB 4.23Å; L664-L678 HydrophobicContact CD1-CD1 4.29Å; L664-L678 HydrophobicContact CD1-CD2 4.19Å; L664-L678 HydrophobicContact CD1-CG 4.2Å; L664-V693 HydrophobicContact CD1-CG1 3.47Å; L664-V693 VanDerWaalsContact CD1-CG1 3.47Å; L664-V693 HydrophobicContact CG-CG1 3.99Å; L664-A694 PolarHBondContact N-O 2.88Å; L664-T695 PolarHBondContact O-OG1 2.83Å; L664-L717 HydrophobicContact CD1-CD2 4.12Å
665	K	85.1	Confident	85.5	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	26%	0.261	S	S	.	.			trans	-116.8	125.9	171.6	-68	173.5	177	166.4	0	108.7	D667 N674 H777	K665-D667 VanDerWaalsContact C-N 3.27Å; K665-D667 PolarHBondContact O-N 3.02Å; K665-N674 PolarHBondContact O-ND2 2.88Å; K665-H777 PolarHBondContact NZ-O 2.88Å
666	V	82.5	Confident	86.5	Confident	43 Å²	43	54.8 Å²	54.8	26%	0.261	25%	0.254	S	S	.	.			trans	-89	68.9	-174.4	-176.4	0	0	0	0	110.4	T695 V713 L717	V666-T695 HydrophobicContact CG2-CG2 3.92Å; V666-V713 HydrophobicContact CB-CG1 4.36Å; V666-V713 HydrophobicContact CG1-CG1 4.08Å; V666-V713 HydrophobicContact CG1-CG2 4.09Å; V666-V713 HydrophobicContact CG2-CG1 3.84Å; V666-L717 HydrophobicContact CG2-CD1 4.05Å; V666-L717 HydrophobicContact CG2-CD2 4.29Å; V666-L717 HydrophobicContact CG2-CG 4.38Å
667	D	79.7	Confident	86.9	Confident	56 Å²	56	53.4 Å²	53.4	30%	0.299	25%	0.25	S	C	.	.			trans	-114	138.6	176.8	-67.6	-67	0	0	0	110.2	K665 R669 S670 D671 H777	K665-D667 VanDerWaalsContact C-N 3.27Å; K665-D667 PolarHBondContact O-N 3.02Å; D667-R669 PolarHBondContact O-N 2.89Å; D667-S670 WeakPolarHBondContact O-CA 3.31Å; D667-S670 PolarHBondContact O-N 3.14Å; D667-D671 PolarHBondContact O-N 3.35Å; D667-D671 VanDerWaalsContact O-N 3.13Å; D667-H777 IonicContact OD1-CE1 3.42Å; D667-H777 IonicContact OD2-CE1 3.99Å; D667-H777 PolarHBondContact OD2-CE1 2.89Å; D667-H777 VanDerWaalsContact OD2-CE1 3.31Å; D667-H777 IonicContact OD2-ND1 3.31Å
668	K	73.8	Confident	87.3	Confident	199 Å²	199	49.2 Å²	49.2	87%	0.865	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.8	172.9	-68	-178	179.6	176.7	0	113.5
669	R	74.2	Confident	87.4	Confident	222 Å²	222	50.9 Å²	50.9	84%	0.838	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-32.6	173.5	-64.4	178.7	177.5	176.5	-1.8	112.6	D667	D667-R669 PolarHBondContact O-N 2.89Å
670	S	80.2	Confident	87.5	Confident	27 Å²	27	48.6 Å²	48.6	19%	0.189	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-16.8	-175.3	-65.8	0	0	0	0	114	D667 K672 V673 N674	D667-S670 WeakPolarHBondContact O-CA 3.31Å; D667-S670 PolarHBondContact O-N 3.14Å; S670-K672 VanDerWaalsContact C-N 3.27Å; S670-K672 PolarHBondContact O-N 3.13Å; S670-K672 VanDerWaalsContact O-N 3.08Å; S670-V673 CarbonylContact O-C 3.58Å; S670-V673 WeakPolarHBondContact O-CA 3.44Å; S670-V673 WeakPolarHBondContact O-CB 3.41Å; S670-V673 PolarHBondContact O-N 3.22Å; S670-N674 PolarHBondContact O-N 3.14Å
671	D	82.6	Confident	87.4	Confident	47 Å²	47	48.6 Å²	48.6	25%	0.251	23%	0.23	S	C	.	.	H	α-helix	trans	-44.6	-45.2	-177.8	-73.2	-20.2	0	0	0	114.1	D667 N674 A675 R716	D667-D671 PolarHBondContact O-N 3.35Å; D667-D671 VanDerWaalsContact O-N 3.13Å; D671-N674 PolarHBondContact O-N 3.19Å; D671-A675 PolarHBondContact O-N 3Å; D671-R716 IonicContact OD1-CZ 3.95Å; D671-R716 IonicContact OD1-NH1 2.73Å; D671-R716 PolarHBondContact OD1-NH1 2.92Å; D671-R716 IonicContact OD1-NH2 3.88Å; D671-R716 PolarHBondContact OD1-NH2 2.96Å; D671-R716 IonicContact OD2-CZ 2.65Å; D671-R716 IonicContact OD2-NH1 3.79Å; D671-R716 PolarHBondContact OD2-NH1 3.48Å; D671-R716 IonicContact OD2-NH2 3.31Å; D671-R716 PolarHBondContact OD2-NH2 3.44Å
672	K	84.4	Confident	87.2	Confident	168 Å²	168	50.1 Å²	50.1	73%	0.73	24%	0.237	S	C	*	.	H	α-helix	trans	-66.2	-39.2	176.4	-68.7	-173.5	178.3	-177.1	0	113.4	S670 K676 L802	S670-K672 VanDerWaalsContact C-N 3.27Å; S670-K672 PolarHBondContact O-N 3.13Å; S670-K672 VanDerWaalsContact O-N 3.08Å; K672-K676 WeakPolarHBondContact O-CG 3.49Å; K672-K676 PolarHBondContact O-N 3.04Å; K672-K676 VanDerWaalsContact O-N 3.17Å; K672-L802 HydrophobicContact CB-CD2 4.05Å
673	V	86.8	Confident	87.1	Confident	22 Å²	22	50 Å²	50	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-70.2	-40.2	178.4	-177	0	0	0	0	110.2	S670 K676 A677 Y765 L801 L802	S670-V673 CarbonylContact O-C 3.58Å; S670-V673 WeakPolarHBondContact O-CA 3.44Å; S670-V673 WeakPolarHBondContact O-CB 3.41Å; S670-V673 PolarHBondContact O-N 3.22Å; V673-K676 PolarHBondContact O-N 3.46Å; V673-A677 WeakPolarHBondContact O-CB 3.13Å; V673-A677 PolarHBondContact O-N 3.15Å; V673-Y765 HydrophobicContact CG1-CE2 4.18Å; V673-Y765 HydrophobicContact CG2-CD2 4.45Å; V673-Y765 HydrophobicContact CG2-CE2 4.08Å; V673-L801 HydrophobicContact CG1-CB 4.15Å; V673-L801 HydrophobicContact CG1-CD1 3.6Å; V673-L802 HydrophobicContact CG2-CD2 3.83Å; V673-L802 HydrophobicContact CG2-CG 4.23Å
674	N	89.1	Confident	87.1	Confident	18 Å²	18	48.9 Å²	48.9	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175.2	-67.3	-20.4	0	0	0	111.1	L664 K665 S670 D671 K676 A677 L678	L664-N674 HydrophobicContact CD1-CB 4.26Å; L664-N674 HydrophobicContact CD2-CB 4.24Å; K665-N674 PolarHBondContact O-ND2 2.88Å; S670-N674 PolarHBondContact O-N 3.14Å; D671-N674 PolarHBondContact O-N 3.19Å; N674-K676 PolarHBondContact O-N 3.49Å; N674-A677 WeakPolarHBondContact O-CB 3.41Å; N674-A677 PolarHBondContact O-N 2.94Å; N674-L678 WeakPolarHBondContact O-CG 3.37Å; N674-L678 PolarHBondContact O-N 3.24Å
675	A	89.8	Confident	87.1	Confident	41 Å²	41	49.4 Å²	49.4	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-45.8	176.2	0	0	0	0	0	112	D671 A677 L678 Q679	D671-A675 PolarHBondContact O-N 3Å; A675-A677 PolarHBondContact O-N 3.11Å; A675-L678 PolarHBondContact O-N 3.32Å; A675-Q679 WeakPolarHBondContact O-CG 3.44Å; A675-Q679 PolarHBondContact O-N 3.41Å
676	K	90.9	Very high	87.1	Confident	27 Å²	27	48.5 Å²	48.5	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-38.6	175	-72.9	-71.1	-171.7	-174.5	0	112.9	K672 V673 N674 Q679 F680 L801 L802 F804 D806	K672-K676 WeakPolarHBondContact O-CG 3.49Å; K672-K676 PolarHBondContact O-N 3.04Å; K672-K676 VanDerWaalsContact O-N 3.17Å; V673-K676 PolarHBondContact O-N 3.46Å; N674-K676 PolarHBondContact O-N 3.49Å; K676-Q679 PolarHBondContact O-N 2.64Å; K676-F680 WeakPolarHBondContact O-CB 3.21Å; K676-F680 PolarHBondContact O-N 2.93Å; K676-L801 HydrophobicContact CB-CB 4.43Å; K676-L801 WeakPolarHBondContact CB-O 3.5Å; K676-L801 VanDerWaalsContact CG-O 3.3Å; K676-L801 WeakPolarHBondContact CG-O 3.44Å; K676-L802 WeakPolarHBondContact CE-O 3.36Å; K676-F804 WeakPolarHBondContact CE-O 3.46Å; K676-F804 PolarHBondContact NZ-O 2.9Å; K676-D806 IonicContact NZ-OD1 3.47Å; K676-D806 PolarHBondContact NZ-OD1 3.06Å; K676-D806 IonicContact NZ-OD2 3.94Å; K676-D806 PolarHBondContact NZ-OD2 2.76Å
677	A	91.9	Very high	86.9	Confident	5 Å²	5	47 Å²	47	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-43.4	174.8	0	0	0	0	0	112.1	L664 V673 N674 A675 F680 A681 M760 L801	L664-A677 HydrophobicContact CD2-CB 4.23Å; V673-A677 WeakPolarHBondContact O-CB 3.13Å; V673-A677 PolarHBondContact O-N 3.15Å; N674-A677 WeakPolarHBondContact O-CB 3.41Å; N674-A677 PolarHBondContact O-N 2.94Å; A675-A677 PolarHBondContact O-N 3.11Å; A677-F680 PolarHBondContact O-N 2.89Å; A677-A681 PolarHBondContact O-N 3.44Å; A677-M760 HydrophobicContact CB-CE 4.16Å; A677-M760 WeakPolarHBondContact O-CE 3.26Å; A677-L801 HydrophobicContact CB-CD1 4.05Å; A677-L801 HydrophobicContact CB-CD2 4.36Å
678	L	92.7	Very high	87.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-42.9	175.2	-69.2	176.1	0	0	0	111.9	I662 L664 N674 A675 A681 H682 V693 D720 V721 S724 V726	I662-L678 HydrophobicContact CD1-CD2 4.3Å; L664-L678 HydrophobicContact CD1-CD1 4.29Å; L664-L678 HydrophobicContact CD1-CD2 4.19Å; L664-L678 HydrophobicContact CD1-CG 4.2Å; N674-L678 WeakPolarHBondContact O-CG 3.37Å; N674-L678 PolarHBondContact O-N 3.24Å; A675-L678 PolarHBondContact O-N 3.32Å; L678-A681 PolarHBondContact O-N 3.49Å; L678-H682 PolarHBondContact O-N 3.43Å; L678-V693 HydrophobicContact CD2-CG1 4.13Å; L678-V693 HydrophobicContact CD2-CG2 3.69Å; L678-D720 HydrophobicContact CD1-CB 3.99Å; L678-V721 HydrophobicContact CD1-CG2 4.13Å; L678-V721 HydrophobicContact CD2-CG2 4Å; L678-S724 WeakPolarHBondContact CB-OG 3.45Å; L678-V726 HydrophobicContact CB-CG2 4.25Å; L678-V726 HydrophobicContact CD2-CG2 4.49Å; L678-V726 WeakPolarHBondContact O-CG2 3.4Å
679	Q	91.5	Very high	87.6	Confident	39 Å²	39	44.9 Å²	44.9	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-46.2	172.8	-71.8	179.3	7	0	0	111.8	A675 K676 A681 H682 Q683 D806	A675-Q679 WeakPolarHBondContact O-CG 3.44Å; A675-Q679 PolarHBondContact O-N 3.41Å; K676-Q679 PolarHBondContact O-N 2.64Å; Q679-A681 VanDerWaalsContact C-N 3.34Å; Q679-A681 PolarHBondContact O-N 2.86Å; Q679-H682 WeakPolarHBondContact O-CB 3.27Å; Q679-H682 PolarHBondContact O-N 3.48Å; Q679-H682 VanDerWaalsContact O-N 3.16Å; Q679-Q683 VanDerWaalsContact O-CG 3.27Å; Q679-Q683 WeakPolarHBondContact O-CG 3.37Å; Q679-Q683 PolarHBondContact O-N 3.45Å; Q679-D806 PolarHBondContact NE2-OD1 3.37Å; Q679-D806 PolarHBondContact OE1-OD1 2.97Å; Q679-D806 VanDerWaalsContact OE1-OD1 3.07Å
680	F	93.2	Very high	88.4	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-40.4	177.6	177.7	-113.2	0	0	0	112.1	K676 A677 H682 Q683 L684 M760 F804 L834 L1088	K676-F680 WeakPolarHBondContact O-CB 3.21Å; K676-F680 PolarHBondContact O-N 2.93Å; A677-F680 PolarHBondContact O-N 2.89Å; F680-H682 PolarHBondContact O-N 3.4Å; F680-Q683 WeakPolarHBondContact O-CB 3.29Å; F680-Q683 PolarHBondContact O-N 3.45Å; F680-Q683 VanDerWaalsContact O-N 3.17Å; F680-L684 WeakPolarHBondContact O-CB 3.48Å; F680-L684 PolarHBondContact O-N 3.43Å; F680-M760 HydrophobicContact CD1-SD 3.8Å; F680-M760 HydrophobicContact CE1-SD 4.11Å; F680-F804 HydrophobicContact CB-CD1 4.4Å; F680-F804 AromaticContact CD2-CD1 3.59Å; F680-F804 HydrophobicContact CD2-CD1 3.59Å; F680-F804 AromaticContact CD2-CE1 3.6Å; F680-F804 HydrophobicContact CD2-CE1 3.6Å; F680-F804 HydrophobicContact CE2-CD1 4.12Å; F680-F804 AromaticContact CE2-CE1 3.67Å; F680-F804 HydrophobicContact CE2-CE1 3.67Å; F680-F804 HydrophobicContact CG-CD1 4.08Å; F680-F804 HydrophobicContact CG-CE1 4.14Å; F680-F804 HydrophobicContact CZ-CE1 4.25Å; F680-L834 HydrophobicContact CD2-CD2 4.39Å; F680-L834 HydrophobicContact CE2-CD1 4.08Å; F680-L834 HydrophobicContact CE2-CD2 3.75Å; F680-L834 HydrophobicContact CZ-CD1 4.32Å; F680-L834 HydrophobicContact CZ-CD2 4.43Å; F680-L1088 HydrophobicContact CE1-CD1 3.9Å; F680-L1088 HydrophobicContact CZ-CD1 4.04Å; F680-L1088 HydrophobicContact CZ-CD2 4.06Å
681	A	92.9	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-38.5	173.1	0	0	0	0	0	112.9	L660 I662 A677 L678 Q679 Q683 L684 K685 M760	L660-A681 HydrophobicContact CD1-CB 4.02Å; I662-A681 HydrophobicContact CD1-CB 3.36Å; A677-A681 PolarHBondContact O-N 3.44Å; L678-A681 PolarHBondContact O-N 3.49Å; Q679-A681 VanDerWaalsContact C-N 3.34Å; Q679-A681 PolarHBondContact O-N 2.86Å; A681-Q683 VanDerWaalsContact C-N 3.33Å; A681-Q683 PolarHBondContact O-N 3.02Å; A681-L684 PolarHBondContact O-N 3.18Å; A681-K685 VanDerWaalsContact O-CB 3.3Å; A681-K685 WeakPolarHBondContact O-CB 3.43Å; A681-K685 WeakPolarHBondContact O-CG 3.35Å; A681-K685 PolarHBondContact O-N 3.1Å; A681-M760 HydrophobicContact CB-CE 4.09Å
682	H	92.3	Very high	89.7	Confident	32 Å²	32	32.3 Å²	32.3	15%	0.148	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-43.3	171.2	175.7	86.5	0	0	0	111.5	L678 Q679 F680 A686 K725 V726 H837	L678-H682 PolarHBondContact O-N 3.43Å; Q679-H682 WeakPolarHBondContact O-CB 3.27Å; Q679-H682 PolarHBondContact O-N 3.48Å; Q679-H682 VanDerWaalsContact O-N 3.16Å; F680-H682 PolarHBondContact O-N 3.4Å; H682-A686 WeakPolarHBondContact O-CA 3.28Å; H682-A686 PolarHBondContact O-N 2.79Å; H682-K725 PolarHBondContact CE1-O 3.12Å; H682-K725 PolarHBondContact ND1-O 2.66Å; H682-V726 HydrophobicContact CB-CG2 3.94Å; H682-H837 AromaticContact CD2-NE2 3.87Å; H682-H837 AromaticContact NE2-NE2 3.84Å
683	Q	92.6	Very high	90.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-46	178.2	-63.4	171.1	24	0	0	111.9	Q679 F680 A681 P805 S807 L834 H837 V839	Q679-Q683 VanDerWaalsContact O-CG 3.27Å; Q679-Q683 WeakPolarHBondContact O-CG 3.37Å; Q679-Q683 PolarHBondContact O-N 3.45Å; F680-Q683 WeakPolarHBondContact O-CB 3.29Å; F680-Q683 PolarHBondContact O-N 3.45Å; F680-Q683 VanDerWaalsContact O-N 3.17Å; A681-Q683 VanDerWaalsContact C-N 3.33Å; A681-Q683 PolarHBondContact O-N 3.02Å; Q683-P805 PolarHBondContact NE2-O 3.09Å; Q683-S807 PolarHBondContact NE2-OG 2.75Å; Q683-L834 HydrophobicContact CB-CD2 4.18Å; Q683-H837 WeakPolarHBondContact O-CB 3.12Å; Q683-V839 HydrophobicContact CG-CG2 4.37Å
684	L	92.3	Very high	90.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-33.6	179.9	178.5	60.8	0	0	0	113.2	L660 F680 A681 L796 L830 L833 L834	L660-L684 HydrophobicContact CD1-CD2 4.41Å; F680-L684 WeakPolarHBondContact O-CB 3.48Å; F680-L684 PolarHBondContact O-N 3.43Å; A681-L684 PolarHBondContact O-N 3.18Å; L684-L796 HydrophobicContact CD2-CD1 3.81Å; L684-L830 HydrophobicContact CD1-CD2 3.86Å; L684-L830 HydrophobicContact CD2-CD2 4.13Å; L684-L833 HydrophobicContact CD1-CB 4.23Å; L684-L834 HydrophobicContact CB-CD2 4.01Å; L684-L834 HydrophobicContact CD1-CD1 4.44Å; L684-L834 HydrophobicContact CD1-CD2 4.29Å; L684-L834 HydrophobicContact CD1-CG 3.9Å
685	K	90.5	Very high	90.6	Very high	22 Å²	22	22.6 Å²	22.6	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-97.9	-19.1	-175.1	-64.8	-73	-77.8	169.6	0	114.1	P658 L660 A681 G687 R688 L690	P658-K685 PolarHBondContact O-NZ 3Å; L660-K685 HydrophobicContact CD1-CD 3.94Å; L660-K685 HydrophobicContact CD1-CG 3.57Å; L660-K685 HydrophobicContact CG-CD 4.03Å; L660-K685 HydrophobicContact CG-CG 4.21Å; A681-K685 VanDerWaalsContact O-CB 3.3Å; A681-K685 WeakPolarHBondContact O-CB 3.43Å; A681-K685 WeakPolarHBondContact O-CG 3.35Å; A681-K685 PolarHBondContact O-N 3.1Å; K685-G687 PolarHBondContact O-N 3.47Å; K685-R688 WeakPolarHBondContact CE-O 3.41Å; K685-R688 PolarHBondContact NZ-O 2.85Å; K685-R688 WeakPolarHBondContact O-CB 3.27Å; K685-R688 PolarHBondContact O-N 3.4Å; K685-L690 WeakPolarHBondContact CE-O 3.48Å; K685-L690 PolarHBondContact NZ-O 3.24Å
686	A	84.3	Confident	90.6	Very high	45 Å²	45	21.6 Å²	21.6	37%	0.372	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	32.5	-171	0	0	0	0	0	113.3	H682 R688	H682-A686 WeakPolarHBondContact O-CA 3.28Å; H682-A686 PolarHBondContact O-N 2.79Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 3.33Å
687	G	78.1	Confident	90.6	Very high	11 Å²	11	21.3 Å²	21.3	11%	0.113	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	12	-174.6	0	0	0	0	0	116.4	K685 R727	K685-G687 PolarHBondContact O-N 3.47Å; G687-R727 VanDerWaalsContact O-CZ 3.24Å; G687-R727 PolarHBondContact O-NE 2.99Å; G687-R727 PolarHBondContact O-NH2 2.88Å
688	R	84.1	Confident	90.3	Very high	155 Å²	155	28 Å²	28	59%	0.585	15%	0.152	S	C	*	.			trans	-98	150.6	177.8	-62.3	177.5	173.9	173.4	-3.1	112	K685 A686	K685-R688 WeakPolarHBondContact CE-O 3.41Å; K685-R688 PolarHBondContact NZ-O 2.85Å; K685-R688 WeakPolarHBondContact O-CB 3.27Å; K685-R688 PolarHBondContact O-N 3.4Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 3.33Å
689	G	84.9	Confident	90	Very high	56 Å²	56	28.9 Å²	28.9	58%	0.577	16%	0.161	S	C	*	.	S	Bend	trans	69.9	-170.1	177.2	0	0	0	0	0	114.2
690	L	90.8	Very high	89.8	Confident	18 Å²	18	30.5 Å²	30.5	9%	0.094	17%	0.171	C	C	.	.			trans	-85.4	135.5	-176.1	-178.2	62.9	0	0	0	111.4	Q659 L660 K685 I692 F729 L754	Q659-L690 HydrophobicContact CB-CB 4.18Å; Q659-L690 HydrophobicContact CG-CB 4.47Å; L660-L690 PolarHBondContact N-O 3.17Å; L660-L690 VanDerWaalsContact N-O 3.14Å; K685-L690 WeakPolarHBondContact CE-O 3.48Å; K685-L690 PolarHBondContact NZ-O 3.24Å; L690-I692 HydrophobicContact CD1-CD1 4.17Å; L690-I692 HydrophobicContact CD1-CG1 3.93Å; L690-I692 HydrophobicContact CD2-CD1 4.19Å; L690-I692 HydrophobicContact CG-CD1 4.32Å; L690-I692 HydrophobicContact CG-CG1 4.18Å; L690-F729 HydrophobicContact CD1-CD2 3.85Å; L690-F729 HydrophobicContact CD1-CE2 3.8Å; L690-L754 HydrophobicContact CD2-CB 4.45Å
691	T	94.6	Very high	89.4	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.4	167.9	-53.4	0	0	0	0	107.7	L660 I662 V726 G728 F729	L660-T691 HydrophobicContact CB-CG2 4.23Å; L660-T691 CarbonylContact O-C 3.56Å; L660-T691 WeakPolarHBondContact O-CA 3.44Å; I662-T691 HydrophobicContact CD1-CG2 3.78Å; I662-T691 HydrophobicContact CG1-CG2 4.31Å; T691-V726 HydrophobicContact CG2-CG1 3.8Å; T691-G728 CarbonylContact O-C 3.14Å; T691-G728 WeakPolarHBondContact O-CA 3.36Å; T691-F729 PolarHBondContact O-N 3.41Å
692	I	94.8	Very high	89.1	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	175.1	-57.1	176.4	0	0	0	107.2	L660 L661 I662 L690 F729 Q731 V749	L660-I692 PolarHBondContact O-N 3.1Å; L661-I692 CarbonylContact C-O 3.54Å; L661-I692 WeakPolarHBondContact CA-O 3.1Å; L661-I692 HydrophobicContact CD1-CB 4.37Å; L661-I692 HydrophobicContact CD1-CG2 4.24Å; I662-I692 PolarHBondContact N-O 3.09Å; L690-I692 HydrophobicContact CD1-CD1 4.17Å; L690-I692 HydrophobicContact CD1-CG1 3.93Å; L690-I692 HydrophobicContact CD2-CD1 4.19Å; L690-I692 HydrophobicContact CG-CD1 4.32Å; L690-I692 HydrophobicContact CG-CG1 4.18Å; I692-F729 WeakPolarHBondContact CA-O 3.45Å; I692-F729 HydrophobicContact CG1-CB 4.44Å; I692-F729 HydrophobicContact CG1-CD2 4.36Å; I692-Q731 HydrophobicContact CG2-CB 4.49Å; I692-V749 HydrophobicContact CB-CG1 4.27Å; I692-V749 HydrophobicContact CD1-CG1 3.45Å; I692-V749 VanDerWaalsContact CD1-CG1 3.45Å; I692-V749 HydrophobicContact CG1-CG1 4.44Å; I692-V749 HydrophobicContact CG2-CG1 3.84Å
693	V	94.9	Very high	89	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.2	177.8	-177.9	0	0	0	0	107.4	I662 L664 L678 V721 F729 V730 Q731	I662-V693 HydrophobicContact CB-CG2 4.43Å; I662-V693 HydrophobicContact CD1-CG2 4.21Å; L664-V693 HydrophobicContact CD1-CG1 3.47Å; L664-V693 VanDerWaalsContact CD1-CG1 3.47Å; L664-V693 HydrophobicContact CG-CG1 3.99Å; L678-V693 HydrophobicContact CD2-CG1 4.13Å; L678-V693 HydrophobicContact CD2-CG2 3.69Å; V693-V721 HydrophobicContact CB-CG2 4.19Å; V693-V721 HydrophobicContact CG1-CG2 4.34Å; V693-V721 HydrophobicContact CG2-CG2 3.75Å; V693-F729 PolarHBondContact N-O 2.96Å; V693-V730 CarbonylContact O-C 3.56Å; V693-V730 WeakPolarHBondContact O-CA 2.98Å; V693-Q731 PolarHBondContact O-N 2.95Å
694	A	93.9	Very high	88.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.4	-175.2	0	0	0	0	0	112.2	L661 I662 L663 L664 Q731 L745	L661-A694 HydrophobicContact CD1-CB 3.67Å; I662-A694 PolarHBondContact O-N 3.39Å; L663-A694 HydrophobicContact CD2-CB 4.24Å; L664-A694 PolarHBondContact N-O 2.88Å; A694-Q731 VanDerWaalsContact CA-O 3.31Å; A694-Q731 WeakPolarHBondContact CA-O 3.46Å; A694-Q731 HydrophobicContact CB-CB 4.29Å; A694-L745 HydrophobicContact CB-CD1 3.97Å; A694-L745 HydrophobicContact CB-CD2 3.86Å; A694-L745 HydrophobicContact CB-CG 4.35Å
695	T	91.7	Very high	88.6	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	166.7	-170.2	0	0	0	0	109.8	L664 V666 V713 L717 Q731 V732 V733	L664-T695 PolarHBondContact O-OG1 2.83Å; V666-T695 HydrophobicContact CG2-CG2 3.92Å; T695-V713 HydrophobicContact CG2-CG1 4.06Å; T695-L717 HydrophobicContact CG2-CD1 3.6Å; T695-Q731 PolarHBondContact N-O 3.37Å; T695-V732 HydrophobicContact CG2-CB 4.34Å; T695-V732 HydrophobicContact CG2-CG1 3.95Å; T695-V732 HydrophobicContact CG2-CG2 4.02Å; T695-V733 PolarHBondContact O-N 3.27Å; T695-V733 VanDerWaalsContact O-N 3.1Å
696	I	90.3	Very high	88.5	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	169.4	-57.1	176.9	0	0	0	107	V733 A735 L738 N741 V742 L745	I696-V733 CarbonylContact C-O 3.13Å; I696-V733 VanDerWaalsContact CA-O 3.32Å; I696-V733 WeakPolarHBondContact CA-O 3.36Å; I696-A735 HydrophobicContact CG2-CB 3.68Å; I696-L738 HydrophobicContact CB-CD2 3.73Å; I696-L738 HydrophobicContact CG2-CD2 3.74Å; I696-L738 HydrophobicContact CG2-CG 4.1Å; I696-N741 HydrophobicContact CD1-CB 4.43Å; I696-V742 HydrophobicContact CD1-CB 4.4Å; I696-V742 HydrophobicContact CD1-CG2 3.67Å; I696-L745 HydrophobicContact CD1-CD2 4.03Å; I696-L745 HydrophobicContact CG1-CD2 3.95Å
697	L	89.2	Confident	88.6	Confident	21 Å²	21	54.2 Å²	54.2	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.1	172.7	-64.3	178.7	0	0	0	109.1	L709 M710 V713 V732 V733 A735	L697-L709 HydrophobicContact CD1-CG 4.45Å; L697-M710 HydrophobicContact CD1-CB 4.32Å; L697-V713 HydrophobicContact CD1-CB 4.31Å; L697-V713 HydrophobicContact CD1-CG1 4.43Å; L697-V713 HydrophobicContact CD1-CG2 4.33Å; L697-V713 HydrophobicContact CD2-CG1 4.38Å; L697-V713 HydrophobicContact CD2-CG2 4.4Å; L697-V732 HydrophobicContact CD1-CG1 3.59Å; L697-V732 HydrophobicContact CG-CG1 3.9Å; L697-V733 PolarHBondContact N-O 3.43Å; L697-A735 PolarHBondContact O-N 3.34Å
698	E	86.2	Confident	89.2	Confident	145 Å²	145	59.3 Å²	59.3	68%	0.678	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.3	173.7	-170.1	165.4	-177	0	0	109.6	A735 L738	E698-A735 WeakPolarHBondContact CA-O 3.47Å; E698-L738 HydrophobicContact CB-CD1 4.2Å
699	G	87	Confident	89.5	Confident	20 Å²	20	56.2 Å²	56.2	21%	0.206	32%	0.315	C	S	.	.	S	Bend	trans	159.2	177.9	-176.4	0	0	0	0	0	113.2	V734 A735 E736	G699-V734 WeakPolarHBondContact O-CG1 3.48Å; G699-A735 PolarHBondContact N-O 3.49Å; G699-A735 CarbonylContact O-C 3.5Å; G699-E736 PolarHBondContact O-N 3.05Å
700	N	87.5	Confident	89.8	Confident	72 Å²	72	55.3 Å²	55.3	39%	0.385	30%	0.296	S	S	.	.			trans	-111.2	133.1	176.6	-175.8	-48.5	0	0	0	109.8	A702 D703 E736	N700-A702 PolarHBondContact O-N 3.31Å; N700-A702 VanDerWaalsContact OD1-CB 3.28Å; N700-A702 WeakPolarHBondContact OD1-CB 3.3Å; N700-A702 PolarHBondContact OD1-N 3.48Å; N700-D703 PolarHBondContact O-N 3.47Å; N700-E736 HydrophobicContact CB-CG 4.43Å; N700-E736 PolarHBondContact ND2-OE1 3.41Å
701	L	84.4	Confident	89.7	Confident	104 Å²	104	58 Å²	58	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.4	-176.1	-173.4	61.4	0	0	0	113.9	D703 Q707 V734	L701-D703 VanDerWaalsContact C-N 3.29Å; L701-Q707 HydrophobicContact CD1-CG 4.37Å; L701-Q707 PolarHBondContact O-NE2 2.84Å; L701-V734 HydrophobicContact CB-CG1 4.42Å; L701-V734 HydrophobicContact CD1-CB 4.44Å; L701-V734 HydrophobicContact CD1-CG2 4.45Å
702	A	87	Confident	89.7	Confident	90 Å²	90	61.9 Å²	61.9	74%	0.744	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-14.1	176.2	0	0	0	0	0	113.9	N700	N700-A702 PolarHBondContact O-N 3.31Å; N700-A702 VanDerWaalsContact OD1-CB 3.28Å; N700-A702 WeakPolarHBondContact OD1-CB 3.3Å; N700-A702 PolarHBondContact OD1-N 3.48Å
703	D	89.2	Confident	89.5	Confident	67 Å²	67	61.8 Å²	61.8	36%	0.358	33%	0.332	S	S	.	.			trans	-84.2	136.1	178	169.3	46.3	0	0	0	112.1	N700 L701 D705 T706 Q707	N700-D703 PolarHBondContact O-N 3.47Å; L701-D703 VanDerWaalsContact C-N 3.29Å; D703-D705 PolarHBondContact OD1-N 3.4Å; D703-D705 PolarHBondContact OD2-N 3.43Å; D703-T706 VanDerWaalsContact OD2-CB 3.25Å; D703-T706 WeakPolarHBondContact OD2-CB 3.38Å; D703-T706 PolarHBondContact OD2-N 2.87Å; D703-T706 PolarHBondContact OD2-OG1 2.83Å; D703-Q707 WeakPolarHBondContact O-CG 3.48Å; D703-Q707 PolarHBondContact O-N 3.21Å
704	H	87.5	Confident	89.5	Confident	121 Å²	121	65.6 Å²	65.6	56%	0.56	35%	0.348	S	S	*	.	H	α-helix	trans	-70.3	-41.9	-179.6	-179.5	-79.9	0	0	0	111.7	T706 Q707 E708	H704-T706 VanDerWaalsContact C-N 3.28Å; H704-T706 PolarHBondContact O-N 3.39Å; H704-Q707 WeakPolarHBondContact O-CB 3.42Å; H704-Q707 PolarHBondContact O-N 3.28Å; H704-E708 IonicContact CE1-OE2 2.63Å; H704-E708 PolarHBondContact O-N 3.01Å
705	D	89	Confident	89.4	Confident	113 Å²	113	70.6 Å²	70.6	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-37.1	-176.9	-65.1	-0.3	0	0	0	110.1	D703 E708 L709	D703-D705 PolarHBondContact OD1-N 3.4Å; D703-D705 PolarHBondContact OD2-N 3.43Å; D705-E708 PolarHBondContact O-N 3.17Å; D705-L709 VanDerWaalsContact O-CB 3.26Å; D705-L709 WeakPolarHBondContact O-CB 3.37Å; D705-L709 PolarHBondContact O-N 2.94Å
706	T	88.3	Confident	89.5	Confident	19 Å²	19	74.7 Å²	74.7	12%	0.117	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-37.6	170.5	-60.8	0	0	0	0	112.7	D703 H704 M710 V734	D703-T706 VanDerWaalsContact OD2-CB 3.25Å; D703-T706 WeakPolarHBondContact OD2-CB 3.38Å; D703-T706 PolarHBondContact OD2-N 2.87Å; D703-T706 PolarHBondContact OD2-OG1 2.83Å; H704-T706 VanDerWaalsContact C-N 3.28Å; H704-T706 PolarHBondContact O-N 3.39Å; T706-M710 WeakPolarHBondContact O-CB 3.32Å; T706-M710 PolarHBondContact O-N 3.11Å; T706-V734 HydrophobicContact CG2-CB 4.42Å; T706-V734 HydrophobicContact CG2-CG1 3.52Å; T706-V734 HydrophobicContact CG2-CG2 3.96Å
707	Q	87	Confident	89.6	Confident	87 Å²	87	74 Å²	74	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-40.8	174.9	-73.2	-178.6	26.3	0	0	112.6	L701 D703 H704 M710 E711	L701-Q707 HydrophobicContact CD1-CG 4.37Å; L701-Q707 PolarHBondContact O-NE2 2.84Å; D703-Q707 WeakPolarHBondContact O-CG 3.48Å; D703-Q707 PolarHBondContact O-N 3.21Å; H704-Q707 WeakPolarHBondContact O-CB 3.42Å; H704-Q707 PolarHBondContact O-N 3.28Å; Q707-M710 WeakPolarHBondContact O-CB 2.95Å; Q707-M710 PolarHBondContact O-N 3.34Å; Q707-E711 PolarHBondContact O-N 3.1Å
708	E	90.5	Very high	89.8	Confident	119 Å²	119	78.5 Å²	78.5	56%	0.556	40%	0.404	S	S	*	.	H	α-helix	trans	-63.7	-46.2	174.9	-172.8	172.3	159.5	0	0	110.6	H704 D705 M710 E711 V712	H704-E708 IonicContact CE1-OE2 2.63Å; H704-E708 PolarHBondContact O-N 3.01Å; D705-E708 PolarHBondContact O-N 3.17Å; E708-M710 VanDerWaalsContact C-N 3.29Å; E708-M710 PolarHBondContact O-N 3.12Å; E708-E711 PolarHBondContact O-N 3.23Å; E708-V712 WeakPolarHBondContact O-CG2 3.05Å; E708-V712 PolarHBondContact O-N 3.07Å
709	L	90.2	Very high	90.1	Very high	90 Å²	90	77.2 Å²	77.2	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-57	-41.7	173.5	-179.1	63.2	0	0	0	112	L697 D705 V712 V713	L697-L709 HydrophobicContact CD1-CG 4.45Å; D705-L709 VanDerWaalsContact O-CB 3.26Å; D705-L709 WeakPolarHBondContact O-CB 3.37Å; D705-L709 PolarHBondContact O-N 2.94Å; L709-V712 PolarHBondContact O-N 3Å; L709-V713 HydrophobicContact CD1-CG2 3.96Å; L709-V713 HydrophobicContact CG-CG2 4.3Å; L709-V713 VanDerWaalsContact O-CB 3.3Å; L709-V713 WeakPolarHBondContact O-CB 3.47Å; L709-V713 VanDerWaalsContact O-CG2 3.23Å; L709-V713 WeakPolarHBondContact O-CG2 3.36Å; L709-V713 PolarHBondContact O-N 3.37Å
710	M	90.8	Very high	90.3	Very high	36 Å²	36	78.7 Å²	78.7	18%	0.177	40%	0.402	C	S	.	.	H	α-helix	trans	-58.9	-49.8	177.7	-179.7	-171.8	66.2	0	0	112	L697 T706 Q707 E708 K714 V732 V734	L697-M710 HydrophobicContact CD1-CB 4.32Å; T706-M710 WeakPolarHBondContact O-CB 3.32Å; T706-M710 PolarHBondContact O-N 3.11Å; Q707-M710 WeakPolarHBondContact O-CB 2.95Å; Q707-M710 PolarHBondContact O-N 3.34Å; E708-M710 VanDerWaalsContact C-N 3.29Å; E708-M710 PolarHBondContact O-N 3.12Å; M710-K714 WeakPolarHBondContact O-CB 3.42Å; M710-K714 PolarHBondContact O-N 2.87Å; M710-V732 HydrophobicContact CG-CB 4.13Å; M710-V732 HydrophobicContact CG-CG1 3.74Å; M710-V734 HydrophobicContact CB-CG2 4.21Å; M710-V734 HydrophobicContact CG-CG2 4.22Å; M710-V734 HydrophobicContact SD-CG2 3.96Å
711	E	90.7	Very high	90.5	Very high	76 Å²	76	75.6 Å²	75.6	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-70.6	-36.5	179.4	-70.7	-59.8	131.8	0	0	112.3	Q707 E708 K714 L715	Q707-E711 PolarHBondContact O-N 3.1Å; E708-E711 PolarHBondContact O-N 3.23Å; E711-K714 PolarHBondContact O-N 3.14Å; E711-K714 WeakPolarHBondContact OE1-CD 3.49Å; E711-K714 IonicContact OE1-NZ 3.68Å; E711-K714 PolarHBondContact OE1-NZ 3.05Å; E711-K714 WeakPolarHBondContact OE2-CD 3.35Å; E711-K714 IonicContact OE2-NZ 2.71Å; E711-K714 PolarHBondContact OE2-NZ 3.08Å; E711-L715 WeakPolarHBondContact O-CB 3.08Å; E711-L715 VanDerWaalsContact O-CG 3.3Å; E711-L715 WeakPolarHBondContact O-CG 3.44Å; E711-L715 PolarHBondContact O-N 3.48Å
712	V	93.1	Very high	90.8	Very high	84 Å²	84	76.6 Å²	76.6	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-46.7	173.6	170.1	0	0	0	0	111.2	E708 L709 L715 R716	E708-V712 WeakPolarHBondContact O-CG2 3.05Å; E708-V712 PolarHBondContact O-N 3.07Å; L709-V712 PolarHBondContact O-N 3Å; V712-L715 PolarHBondContact O-N 2.81Å; V712-R716 WeakPolarHBondContact O-CB 3.49Å; V712-R716 PolarHBondContact O-N 3.44Å
713	V	92.2	Very high	90.9	Very high	9 Å²	9	78.5 Å²	78.5	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-41.5	176.7	166.5	0	0	0	0	111.6	V666 T695 L697 L709 R716 L717 V732	V666-V713 HydrophobicContact CB-CG1 4.36Å; V666-V713 HydrophobicContact CG1-CG1 4.08Å; V666-V713 HydrophobicContact CG1-CG2 4.09Å; V666-V713 HydrophobicContact CG2-CG1 3.84Å; T695-V713 HydrophobicContact CG2-CG1 4.06Å; L697-V713 HydrophobicContact CD1-CB 4.31Å; L697-V713 HydrophobicContact CD1-CG1 4.43Å; L697-V713 HydrophobicContact CD1-CG2 4.33Å; L697-V713 HydrophobicContact CD2-CG1 4.38Å; L697-V713 HydrophobicContact CD2-CG2 4.4Å; L709-V713 HydrophobicContact CD1-CG2 3.96Å; L709-V713 HydrophobicContact CG-CG2 4.3Å; L709-V713 VanDerWaalsContact O-CB 3.3Å; L709-V713 WeakPolarHBondContact O-CB 3.47Å; L709-V713 VanDerWaalsContact O-CG2 3.23Å; L709-V713 WeakPolarHBondContact O-CG2 3.36Å; L709-V713 PolarHBondContact O-N 3.37Å; V713-R716 PolarHBondContact O-N 3.02Å; V713-L717 HydrophobicContact CG1-CD1 3.93Å; V713-L717 HydrophobicContact CG1-CG 4.37Å; V713-L717 WeakPolarHBondContact O-CB 3.33Å; V713-L717 WeakPolarHBondContact O-CG 3.47Å; V713-L717 PolarHBondContact O-N 3.05Å; V713-V732 HydrophobicContact CG1-CG2 4.33Å
714	K	93.3	Very high	90.9	Very high	81 Å²	81	76.1 Å²	76.1	35%	0.352	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-39.5	178	-178.3	178.3	164.5	-149.2	0	112.4	M710 E711 K718 V732	M710-K714 WeakPolarHBondContact O-CB 3.42Å; M710-K714 PolarHBondContact O-N 2.87Å; E711-K714 PolarHBondContact O-N 3.14Å; E711-K714 WeakPolarHBondContact OE1-CD 3.49Å; E711-K714 IonicContact OE1-NZ 3.68Å; E711-K714 PolarHBondContact OE1-NZ 3.05Å; E711-K714 WeakPolarHBondContact OE2-CD 3.35Å; E711-K714 IonicContact OE2-NZ 2.71Å; E711-K714 PolarHBondContact OE2-NZ 3.08Å; K714-K718 VanDerWaalsContact O-CB 3.3Å; K714-K718 WeakPolarHBondContact O-CB 3.11Å; K714-K718 PolarHBondContact O-N 3.05Å; K714-K718 VanDerWaalsContact O-N 3.15Å; K714-V732 HydrophobicContact CB-CG2 3.66Å; K714-V732 HydrophobicContact CG-CG2 4.16Å
715	L	93.4	Very high	90.9	Very high	104 Å²	104	77.1 Å²	77.1	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-44.5	173.2	-73.5	171	0	0	0	111.6	E711 V712 K718 Q719	E711-L715 WeakPolarHBondContact O-CB 3.08Å; E711-L715 VanDerWaalsContact O-CG 3.3Å; E711-L715 WeakPolarHBondContact O-CG 3.44Å; E711-L715 PolarHBondContact O-N 3.48Å; V712-L715 PolarHBondContact O-N 2.81Å; L715-K718 WeakPolarHBondContact O-CB 3.3Å; L715-K718 PolarHBondContact O-N 3.33Å; L715-Q719 PolarHBondContact O-N 3.15Å; L715-Q719 VanDerWaalsContact O-N 3.13Å
716	R	92.4	Very high	90.9	Very high	90 Å²	90	72.2 Å²	72.2	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-54.5	175.8	-173.8	-173.8	-176.6	-156.1	1.6	111.9	D671 V712 V713 K718 Q719 D720	D671-R716 IonicContact OD1-CZ 3.95Å; D671-R716 IonicContact OD1-NH1 2.73Å; D671-R716 PolarHBondContact OD1-NH1 2.92Å; D671-R716 IonicContact OD1-NH2 3.88Å; D671-R716 PolarHBondContact OD1-NH2 2.96Å; D671-R716 IonicContact OD2-CZ 2.65Å; D671-R716 IonicContact OD2-NH1 3.79Å; D671-R716 PolarHBondContact OD2-NH1 3.48Å; D671-R716 IonicContact OD2-NH2 3.31Å; D671-R716 PolarHBondContact OD2-NH2 3.44Å; V712-R716 WeakPolarHBondContact O-CB 3.49Å; V712-R716 PolarHBondContact O-N 3.44Å; V713-R716 PolarHBondContact O-N 3.02Å; R716-K718 PolarHBondContact O-N 3.22Å; R716-K718 VanDerWaalsContact O-N 3.17Å; R716-Q719 WeakPolarHBondContact O-CA 3.33Å; R716-Q719 WeakPolarHBondContact O-CB 3.4Å; R716-Q719 PolarHBondContact O-N 3.04Å; R716-D720 PolarHBondContact O-N 2.66Å
717	L	92	Very high	90.9	Very high	5 Å²	5	79.7 Å²	79.7	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-31.3	179	-75.5	175	0	0	0	112.6	L664 V666 T695 V713 V721 V730 V732	L664-L717 HydrophobicContact CD1-CD2 4.12Å; V666-L717 HydrophobicContact CG2-CD1 4.05Å; V666-L717 HydrophobicContact CG2-CD2 4.29Å; V666-L717 HydrophobicContact CG2-CG 4.38Å; T695-L717 HydrophobicContact CG2-CD1 3.6Å; V713-L717 HydrophobicContact CG1-CD1 3.93Å; V713-L717 HydrophobicContact CG1-CG 4.37Å; V713-L717 WeakPolarHBondContact O-CB 3.33Å; V713-L717 WeakPolarHBondContact O-CG 3.47Å; V713-L717 PolarHBondContact O-N 3.05Å; L717-V721 VanDerWaalsContact O-CB 3.3Å; L717-V721 WeakPolarHBondContact O-CB 3.44Å; L717-V721 WeakPolarHBondContact O-CG2 3.42Å; L717-V721 PolarHBondContact O-N 3.39Å; L717-V730 HydrophobicContact CB-CG1 3.73Å; L717-V730 HydrophobicContact CD1-CG1 4.33Å; L717-V732 HydrophobicContact CD1-CG2 4.38Å
718	K	93.2	Very high	91.1	Very high	116 Å²	116	77 Å²	77	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-69.3	-33.3	174.4	-173.3	179.2	179.2	-176.9	0	112.6	K714 L715 R716 Q722 V730	K714-K718 VanDerWaalsContact O-CB 3.3Å; K714-K718 WeakPolarHBondContact O-CB 3.11Å; K714-K718 PolarHBondContact O-N 3.05Å; K714-K718 VanDerWaalsContact O-N 3.15Å; L715-K718 WeakPolarHBondContact O-CB 3.3Å; L715-K718 PolarHBondContact O-N 3.33Å; R716-K718 PolarHBondContact O-N 3.22Å; R716-K718 VanDerWaalsContact O-N 3.17Å; K718-Q722 VanDerWaalsContact O-CG 3.26Å; K718-Q722 WeakPolarHBondContact O-CG 3.46Å; K718-Q722 PolarHBondContact O-N 3.06Å; K718-V730 HydrophobicContact CB-CG2 4.4Å
719	Q	92.8	Very high	91.2	Very high	118 Å²	118	78 Å²	78	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-69.9	-50.5	170.5	-67.3	169.5	-30.5	0	0	110.4	L715 R716 V721 Q722 D723	L715-Q719 PolarHBondContact O-N 3.15Å; L715-Q719 VanDerWaalsContact O-N 3.13Å; R716-Q719 WeakPolarHBondContact O-CA 3.33Å; R716-Q719 WeakPolarHBondContact O-CB 3.4Å; R716-Q719 PolarHBondContact O-N 3.04Å; Q719-V721 PolarHBondContact O-N 2.93Å; Q719-V721 VanDerWaalsContact O-N 3.16Å; Q719-Q722 WeakPolarHBondContact O-CA 3.32Å; Q719-Q722 PolarHBondContact O-N 3.2Å; Q719-D723 PolarHBondContact O-N 2.77Å
720	D	91.2	Very high	91.4	Very high	52 Å²	52	75.1 Å²	75.1	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-53.8	-39.7	178.7	-60.3	-39.1	0	0	0	112.3	L678 R716 S724	L678-D720 HydrophobicContact CD1-CB 3.99Å; R716-D720 PolarHBondContact O-N 2.66Å; D720-S724 WeakPolarHBondContact O-CB 3.27Å; D720-S724 PolarHBondContact O-N 3.05Å; D720-S724 PolarHBondContact O-OG 3.2Å
721	V	91.7	Very high	91.5	Very high	6 Å²	6	77.6 Å²	77.6	4%	0.036	37%	0.373	C	S	.	.	H	α-helix	trans	-67	-41.1	175.3	161.3	0	0	0	0	112.6	L678 V693 L717 Q719 K725 V726 V730	L678-V721 HydrophobicContact CD1-CG2 4.13Å; L678-V721 HydrophobicContact CD2-CG2 4Å; V693-V721 HydrophobicContact CB-CG2 4.19Å; V693-V721 HydrophobicContact CG1-CG2 4.34Å; V693-V721 HydrophobicContact CG2-CG2 3.75Å; L717-V721 VanDerWaalsContact O-CB 3.3Å; L717-V721 WeakPolarHBondContact O-CB 3.44Å; L717-V721 WeakPolarHBondContact O-CG2 3.42Å; L717-V721 PolarHBondContact O-N 3.39Å; Q719-V721 PolarHBondContact O-N 2.93Å; Q719-V721 VanDerWaalsContact O-N 3.16Å; V721-K725 PolarHBondContact O-N 3.14Å; V721-V726 HydrophobicContact CG1-CB 4.07Å; V721-V726 HydrophobicContact CG1-CG1 4.3Å; V721-V726 WeakPolarHBondContact CG1-O 3.36Å; V721-V726 PolarHBondContact O-N 2.95Å; V721-V730 HydrophobicContact CB-CG2 4.41Å; V721-V730 HydrophobicContact CG2-CG2 3.99Å
722	Q	91.1	Very high	91.6	Very high	125 Å²	125	74.6 Å²	74.6	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-69.7	-44.2	178.3	-75.8	177	-8.5	0	0	111.9	K718 Q719 S724 K725	K718-Q722 VanDerWaalsContact O-CG 3.26Å; K718-Q722 WeakPolarHBondContact O-CG 3.46Å; K718-Q722 PolarHBondContact O-N 3.06Å; Q719-Q722 WeakPolarHBondContact O-CA 3.32Å; Q719-Q722 PolarHBondContact O-N 3.2Å; Q722-S724 VanDerWaalsContact C-N 3.33Å; Q722-S724 PolarHBondContact O-N 3.38Å; Q722-K725 WeakPolarHBondContact O-CA 3.33Å; Q722-K725 PolarHBondContact O-N 2.93Å
723	D	90.1	Very high	91.5	Very high	131 Å²	131	72.2 Å²	72.2	70%	0.701	35%	0.345	S	S	*	.	H	α-helix	trans	-65.4	-37.9	177.6	-70.2	-21.2	0	0	0	111.6	Q719 K725	Q719-D723 PolarHBondContact O-N 2.77Å; D723-K725 PolarHBondContact O-N 3.4Å
724	S	88.2	Confident	91.4	Very high	17 Å²	17	72.9 Å²	72.9	12%	0.119	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.6	170.6	-57.4	0	0	0	0	113.8	L678 D720 Q722 V726	L678-S724 WeakPolarHBondContact CB-OG 3.45Å; D720-S724 WeakPolarHBondContact O-CB 3.27Å; D720-S724 PolarHBondContact O-N 3.05Å; D720-S724 PolarHBondContact O-OG 3.2Å; Q722-S724 VanDerWaalsContact C-N 3.33Å; Q722-S724 PolarHBondContact O-N 3.38Å; S724-V726 PolarHBondContact O-N 3.17Å
725	K	87.5	Confident	91.1	Very high	141 Å²	141	69.3 Å²	69.3	61%	0.613	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	24.8	-177.8	-58.2	177.6	-177	177.8	0	113.8	H682 V721 Q722 D723	H682-K725 PolarHBondContact CE1-O 3.12Å; H682-K725 PolarHBondContact ND1-O 2.66Å; V721-K725 PolarHBondContact O-N 3.14Å; Q722-K725 WeakPolarHBondContact O-CA 3.33Å; Q722-K725 PolarHBondContact O-N 2.93Å; D723-K725 PolarHBondContact O-N 3.4Å
726	V	88.9	Confident	90.7	Very high	11 Å²	11	69.9 Å²	69.9	7%	0.067	33%	0.334	C	S	.	.			trans	-77.1	123.1	176.3	173.2	0	0	0	0	108.7	L678 H682 T691 V721 S724 G728	L678-V726 HydrophobicContact CB-CG2 4.25Å; L678-V726 HydrophobicContact CD2-CG2 4.49Å; L678-V726 WeakPolarHBondContact O-CG2 3.4Å; H682-V726 HydrophobicContact CB-CG2 3.94Å; T691-V726 HydrophobicContact CG2-CG1 3.8Å; V721-V726 HydrophobicContact CG1-CB 4.07Å; V721-V726 HydrophobicContact CG1-CG1 4.3Å; V721-V726 WeakPolarHBondContact CG1-O 3.36Å; V721-V726 PolarHBondContact O-N 2.95Å; S724-V726 PolarHBondContact O-N 3.17Å; V726-G728 PolarHBondContact O-N 3.17Å
727	R	88.5	Confident	90.3	Very high	175 Å²	175	70.4 Å²	70.4	66%	0.66	34%	0.34	S	S	*	.			trans	-87.8	105.4	169	-61.9	-156.7	-60.6	-174.2	0.7	108.4	G687	G687-R727 VanDerWaalsContact O-CZ 3.24Å; G687-R727 PolarHBondContact O-NE 2.99Å; G687-R727 PolarHBondContact O-NH2 2.88Å
728	G	90.5	Very high	89.7	Confident	31 Å²	31	72.2 Å²	72.2	32%	0.32	35%	0.35	S	S	.	.			trans	-170.8	178.7	-176.3	0	0	0	0	0	113.3	T691 V726	T691-G728 CarbonylContact O-C 3.14Å; T691-G728 WeakPolarHBondContact O-CA 3.36Å; V726-G728 PolarHBondContact O-N 3.17Å
729	F	93	Very high	88.9	Confident	139 Å²	139	68.4 Å²	68.4	61%	0.61	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	155.3	177.4	-56.9	-82.4	0	0	0	110.9	L690 T691 I692 V693	L690-F729 HydrophobicContact CD1-CD2 3.85Å; L690-F729 HydrophobicContact CD1-CE2 3.8Å; T691-F729 PolarHBondContact O-N 3.41Å; I692-F729 WeakPolarHBondContact CA-O 3.45Å; I692-F729 HydrophobicContact CG1-CB 4.44Å; I692-F729 HydrophobicContact CG1-CD2 4.36Å; V693-F729 PolarHBondContact N-O 2.96Å
730	V	94.3	Very high	88.2	Confident	31 Å²	31	68 Å²	68	19%	0.188	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.4	176.4	175.1	0	0	0	0	109.1	V693 L717 K718 V721	V693-V730 CarbonylContact O-C 3.56Å; V693-V730 WeakPolarHBondContact O-CA 2.98Å; L717-V730 HydrophobicContact CB-CG1 3.73Å; L717-V730 HydrophobicContact CD1-CG1 4.33Å; K718-V730 HydrophobicContact CB-CG2 4.4Å; V721-V730 HydrophobicContact CB-CG2 4.41Å; V721-V730 HydrophobicContact CG2-CG2 3.99Å
731	Q	93.1	Very high	87.9	Confident	88 Å²	88	67.4 Å²	67.4	41%	0.411	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.7	176.6	-172.6	64.1	22	0	0	109.8	I692 V693 A694 T695 V733 L745	I692-Q731 HydrophobicContact CG2-CB 4.49Å; V693-Q731 PolarHBondContact O-N 2.95Å; A694-Q731 VanDerWaalsContact CA-O 3.31Å; A694-Q731 WeakPolarHBondContact CA-O 3.46Å; A694-Q731 HydrophobicContact CB-CB 4.29Å; T695-Q731 PolarHBondContact N-O 3.37Å; Q731-V733 HydrophobicContact CG-CG2 4.12Å; Q731-L745 HydrophobicContact CG-CD1 4.42Å
732	V	92.7	Very high	87.6	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	170.8	-175.1	0	0	0	0	107.1	T695 L697 M710 V713 K714 L717	T695-V732 HydrophobicContact CG2-CB 4.34Å; T695-V732 HydrophobicContact CG2-CG1 3.95Å; T695-V732 HydrophobicContact CG2-CG2 4.02Å; L697-V732 HydrophobicContact CD1-CG1 3.59Å; L697-V732 HydrophobicContact CG-CG1 3.9Å; M710-V732 HydrophobicContact CG-CB 4.13Å; M710-V732 HydrophobicContact CG-CG1 3.74Å; V713-V732 HydrophobicContact CG1-CG2 4.33Å; K714-V732 HydrophobicContact CB-CG2 3.66Å; K714-V732 HydrophobicContact CG-CG2 4.16Å; L717-V732 HydrophobicContact CD1-CG2 4.38Å
733	V	90.8	Very high	87.4	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.4	178.3	178.2	0	0	0	0	108.7	T695 I696 L697 Q731 L745	T695-V733 PolarHBondContact O-N 3.27Å; T695-V733 VanDerWaalsContact O-N 3.1Å; I696-V733 CarbonylContact C-O 3.13Å; I696-V733 VanDerWaalsContact CA-O 3.32Å; I696-V733 WeakPolarHBondContact CA-O 3.36Å; L697-V733 PolarHBondContact N-O 3.43Å; Q731-V733 HydrophobicContact CG-CG2 4.12Å; V733-L745 HydrophobicContact CG2-CD1 3.8Å
734	V	90.3	Very high	87.4	Confident	24 Å²	24	60.3 Å²	60.3	15%	0.145	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135	172.2	175.8	0	0	0	0	108.8	G699 L701 T706 M710	G699-V734 WeakPolarHBondContact O-CG1 3.48Å; L701-V734 HydrophobicContact CB-CG1 4.42Å; L701-V734 HydrophobicContact CD1-CB 4.44Å; L701-V734 HydrophobicContact CD1-CG2 4.45Å; T706-V734 HydrophobicContact CG2-CB 4.42Å; T706-V734 HydrophobicContact CG2-CG1 3.52Å; T706-V734 HydrophobicContact CG2-CG2 3.96Å; M710-V734 HydrophobicContact CB-CG2 4.21Å; M710-V734 HydrophobicContact CG-CG2 4.22Å; M710-V734 HydrophobicContact SD-CG2 3.96Å
735	A	88.2	Confident	87.5	Confident	5 Å²	5	59.7 Å²	59.7	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	132.7	-175.2	0	0	0	0	0	112.8	I696 L697 E698 G699 H737 N741	I696-A735 HydrophobicContact CG2-CB 3.68Å; L697-A735 PolarHBondContact O-N 3.34Å; E698-A735 WeakPolarHBondContact CA-O 3.47Å; G699-A735 PolarHBondContact N-O 3.49Å; G699-A735 CarbonylContact O-C 3.5Å; A735-H737 PolarHBondContact O-N 3.18Å; A735-N741 HydrophobicContact CB-CB 3.64Å
736	E	85.2	Confident	87.6	Confident	117 Å²	117	53.6 Å²	53.6	55%	0.547	27%	0.274	S	S	.	.	S	Bend	trans	-69.2	-24.8	172.6	-58.6	-174.3	145.8	0	0	112.5	G699 N700	G699-E736 PolarHBondContact O-N 3.05Å; N700-E736 HydrophobicContact CB-CG 4.43Å; N700-E736 PolarHBondContact ND2-OE1 3.41Å
737	H	82.7	Confident	87.5	Confident	101 Å²	101	59.9 Å²	59.9	47%	0.468	30%	0.302	S	S	.	.			trans	-130.7	96	-178.2	-69.2	-9.7	0	0	0	110.5	A735 S739 Q740 N741	A735-H737 PolarHBondContact O-N 3.18Å; H737-S739 VanDerWaalsContact C-N 3.32Å; H737-S739 PolarHBondContact O-N 2.64Å; H737-Q740 HydrophobicContact CB-CB 4.16Å; H737-Q740 HydrophobicContact CB-CG 4.21Å; H737-Q740 PolarHBondContact O-N 2.87Å; H737-N741 PolarHBondContact O-N 3.48Å; H737-N741 VanDerWaalsContact O-N 3.15Å; H737-N741 PolarHBondContact O-ND2 2.96Å
738	L	80.3	Confident	87.6	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.225	30%	0.298	C	S	.	.	H	α-helix	trans	-49.7	-49.1	-179.6	-116.4	162	0	0	0	112.6	I696 E698 N741 V742	I696-L738 HydrophobicContact CB-CD2 3.73Å; I696-L738 HydrophobicContact CG2-CD2 3.74Å; I696-L738 HydrophobicContact CG2-CG 4.1Å; E698-L738 HydrophobicContact CB-CD1 4.2Å; L738-N741 PolarHBondContact O-N 3.37Å; L738-V742 PolarHBondContact O-N 3.22Å
739	S	75.9	Confident	87.7	Confident	35 Å²	35	54.6 Å²	54.6	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-52	-179.4	54.7	0	0	0	0	113.2	H737 N741 V742 D783 R787	H737-S739 VanDerWaalsContact C-N 3.32Å; H737-S739 PolarHBondContact O-N 2.64Å; S739-N741 VanDerWaalsContact C-N 3.32Å; S739-N741 PolarHBondContact O-N 2.83Å; S739-V742 PolarHBondContact O-N 3.07Å; S739-D783 WeakPolarHBondContact CB-OD2 3.27Å; S739-R787 PolarHBondContact O-NE 3.13Å; S739-R787 PolarHBondContact O-NH1 3.44Å; S739-R787 PolarHBondContact O-NH2 2.98Å; S739-R787 VanDerWaalsContact O-NH2 3.12Å
740	Q	77.7	Confident	87.5	Confident	110 Å²	110	49.9 Å²	49.9	51%	0.514	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-36.1	-177.4	-64.1	-176.1	4.5	0	0	112.1	H737 V742 S743	H737-Q740 HydrophobicContact CB-CB 4.16Å; H737-Q740 HydrophobicContact CB-CG 4.21Å; H737-Q740 PolarHBondContact O-N 2.87Å; Q740-V742 VanDerWaalsContact C-N 3.33Å; Q740-V742 PolarHBondContact O-N 3.5Å; Q740-S743 WeakPolarHBondContact O-CB 3.45Å; Q740-S743 PolarHBondContact O-N 2.88Å; Q740-S743 PolarHBondContact O-OG 3.34Å
741	N	84.5	Confident	87.2	Confident	40 Å²	40	53.5 Å²	53.5	21%	0.214	30%	0.295	C	S	.	.	H	α-helix	trans	-80.7	-8.9	-174.8	-74.7	-77	0	0	0	114.8	I696 A735 H737 L738 S739 S743 T744 L745	I696-N741 HydrophobicContact CD1-CB 4.43Å; A735-N741 HydrophobicContact CB-CB 3.64Å; H737-N741 PolarHBondContact O-N 3.48Å; H737-N741 VanDerWaalsContact O-N 3.15Å; H737-N741 PolarHBondContact O-ND2 2.96Å; L738-N741 PolarHBondContact O-N 3.37Å; S739-N741 VanDerWaalsContact C-N 3.32Å; S739-N741 PolarHBondContact O-N 2.83Å; N741-S743 PolarHBondContact O-N 3.47Å; N741-T744 WeakPolarHBondContact O-CB 3.36Å; N741-T744 PolarHBondContact O-N 2.95Å; N741-T744 PolarHBondContact OD1-OG1 3.41Å; N741-L745 WeakPolarHBondContact O-CB 3.42Å; N741-L745 PolarHBondContact O-N 3.27Å
742	V	87.1	Confident	86.6	Confident	8 Å²	8	50 Å²	50	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-33.9	164	177.2	0	0	0	0	111	L663 I696 L738 S739 Q740 I746 A784	L663-V742 HydrophobicContact CD1-CG1 4.43Å; I696-V742 HydrophobicContact CD1-CB 4.4Å; I696-V742 HydrophobicContact CD1-CG2 3.67Å; L738-V742 PolarHBondContact O-N 3.22Å; S739-V742 PolarHBondContact O-N 3.07Å; Q740-V742 VanDerWaalsContact C-N 3.33Å; Q740-V742 PolarHBondContact O-N 3.5Å; V742-I746 HydrophobicContact CG1-CD1 3.67Å; V742-I746 HydrophobicContact CG1-CG1 4.31Å; V742-I746 WeakPolarHBondContact O-CB 3.25Å; V742-I746 WeakPolarHBondContact O-CD1 3.36Å; V742-I746 WeakPolarHBondContact O-CG1 3.43Å; V742-I746 PolarHBondContact O-N 3.21Å; V742-A784 HydrophobicContact CG1-CB 4Å
743	S	86.8	Confident	85.9	Confident	37 Å²	37	51 Å²	51	26%	0.259	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-49.8	174.8	-10.2	0	0	0	0	110.8	Q740 N741 L745 I746 Q747 R787	Q740-S743 WeakPolarHBondContact O-CB 3.45Å; Q740-S743 PolarHBondContact O-N 2.88Å; Q740-S743 PolarHBondContact O-OG 3.34Å; N741-S743 PolarHBondContact O-N 3.47Å; S743-L745 PolarHBondContact O-N 2.81Å; S743-I746 PolarHBondContact O-N 3.28Å; S743-Q747 WeakPolarHBondContact O-CG 3.35Å; S743-Q747 PolarHBondContact O-N 3.24Å; S743-Q747 VanDerWaalsContact O-N 3.1Å; S743-R787 VanDerWaalsContact OG-CD 3.26Å; S743-R787 WeakPolarHBondContact OG-CD 3.31Å; S743-R787 PolarHBondContact OG-NE 3.27Å
744	T	88.9	Confident	85.7	Confident	68 Å²	68	53.1 Å²	53.1	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-55	-51	177.8	-39.7	0	0	0	0	110.7	N741 I746 Q747 S748	N741-T744 WeakPolarHBondContact O-CB 3.36Å; N741-T744 PolarHBondContact O-N 2.95Å; N741-T744 PolarHBondContact OD1-OG1 3.41Å; T744-I746 PolarHBondContact O-N 3.42Å; T744-Q747 PolarHBondContact O-N 2.93Å; T744-S748 WeakPolarHBondContact O-CB 3.49Å; T744-S748 PolarHBondContact O-N 3.17Å; T744-S748 PolarHBondContact O-OG 2.94Å
745	L	90.7	Very high	85.6	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-40.8	-179.1	-176.5	71.8	0	0	0	112.8	L663 A694 I696 Q731 V733 N741 S743 Q747 V749	L663-L745 HydrophobicContact CD2-CD2 3.52Å; A694-L745 HydrophobicContact CB-CD1 3.97Å; A694-L745 HydrophobicContact CB-CD2 3.86Å; A694-L745 HydrophobicContact CB-CG 4.35Å; I696-L745 HydrophobicContact CD1-CD2 4.03Å; I696-L745 HydrophobicContact CG1-CD2 3.95Å; Q731-L745 HydrophobicContact CG-CD1 4.42Å; V733-L745 HydrophobicContact CG2-CD1 3.8Å; N741-L745 WeakPolarHBondContact O-CB 3.42Å; N741-L745 PolarHBondContact O-N 3.27Å; S743-L745 PolarHBondContact O-N 2.81Å; L745-Q747 VanDerWaalsContact C-N 3.31Å; L745-Q747 PolarHBondContact O-N 3.45Å; L745-V749 HydrophobicContact CD1-CG2 3.54Å; L745-V749 HydrophobicContact CG-CG2 4.13Å; L745-V749 WeakPolarHBondContact O-CB 3.38Å; L745-V749 WeakPolarHBondContact O-CG2 3.47Å; L745-V749 PolarHBondContact O-N 3.44Å
746	I	90.1	Very high	85.8	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-35.5	177.7	-70.5	169.3	0	0	0	111.2	V742 S743 T744 I759 R787 A788 A791 M793	V742-I746 HydrophobicContact CG1-CD1 3.67Å; V742-I746 HydrophobicContact CG1-CG1 4.31Å; V742-I746 WeakPolarHBondContact O-CB 3.25Å; V742-I746 WeakPolarHBondContact O-CD1 3.36Å; V742-I746 WeakPolarHBondContact O-CG1 3.43Å; V742-I746 PolarHBondContact O-N 3.21Å; S743-I746 PolarHBondContact O-N 3.28Å; T744-I746 PolarHBondContact O-N 3.42Å; I746-I759 HydrophobicContact CB-CD1 4.4Å; I746-I759 HydrophobicContact CD1-CD1 3.66Å; I746-I759 HydrophobicContact CG1-CD1 3.64Å; I746-I759 HydrophobicContact CG2-CD1 3.92Å; I746-R787 HydrophobicContact CD1-CB 4.14Å; I746-A788 HydrophobicContact CD1-CB 4.26Å; I746-A791 HydrophobicContact CG2-CB 3.72Å; I746-M793 HydrophobicContact CG2-CG 4.11Å
747	Q	87.4	Confident	86	Confident	142 Å²	142	55.1 Å²	55.1	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-85.2	-31.3	-176.1	-69.1	174.2	-9.7	0	0	114	S743 T744 L745	S743-Q747 WeakPolarHBondContact O-CG 3.35Å; S743-Q747 PolarHBondContact O-N 3.24Å; S743-Q747 VanDerWaalsContact O-N 3.1Å; T744-Q747 PolarHBondContact O-N 2.93Å; L745-Q747 VanDerWaalsContact C-N 3.31Å; L745-Q747 PolarHBondContact O-N 3.45Å
748	S	90.1	Very high	86.5	Confident	81 Å²	81	50.4 Å²	50.4	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-101.6	-6.2	-170.8	74.3	0	0	0	0	115.6	T744	T744-S748 WeakPolarHBondContact O-CB 3.49Å; T744-S748 PolarHBondContact O-N 3.17Å; T744-S748 PolarHBondContact O-OG 2.94Å
749	V	91.7	Very high	87.2	Confident	14 Å²	14	48.3 Å²	48.3	9%	0.085	28%	0.275	C	S	.	.			trans	-81.9	125.3	-177.4	165.5	0	0	0	0	112.1	L661 I692 L745 P756	L661-V749 HydrophobicContact CD1-CG1 4.27Å; I692-V749 HydrophobicContact CB-CG1 4.27Å; I692-V749 HydrophobicContact CD1-CG1 3.45Å; I692-V749 VanDerWaalsContact CD1-CG1 3.45Å; I692-V749 HydrophobicContact CG1-CG1 4.44Å; I692-V749 HydrophobicContact CG2-CG1 3.84Å; L745-V749 HydrophobicContact CD1-CG2 3.54Å; L745-V749 HydrophobicContact CG-CG2 4.13Å; L745-V749 WeakPolarHBondContact O-CB 3.38Å; L745-V749 WeakPolarHBondContact O-CG2 3.47Å; L745-V749 PolarHBondContact O-N 3.44Å; V749-P756 HydrophobicContact CG1-CG 4.04Å; V749-P756 WeakPolarHBondContact O-CD 3.41Å
750	G	88.5	Confident	88.1	Confident	41 Å²	41	46.8 Å²	46.8	42%	0.423	26%	0.264	S	S	.	.	S	Bend	trans	119.1	-174.7	179.2	0	0	0	0	0	112.6	L754	G750-L754 CarbonylContact C-O 3.56Å; G750-L754 WeakPolarHBondContact CA-O 3.4Å
751	I	88	Confident	88.7	Confident	107 Å²	107	42 Å²	42	55%	0.549	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-149	133.6	176	-173.2	169.5	0	0	0	110.6	L642 G753 L754	L642-I751 HydrophobicContact CD1-CD1 4.3Å; L642-I751 HydrophobicContact CD1-CG1 4.42Å; L642-I751 HydrophobicContact CD1-CG2 3.86Å; L642-I751 HydrophobicContact CD2-CG2 4.01Å; I751-G753 PolarHBondContact O-N 3.38Å; I751-L754 HydrophobicContact CG2-CB 4.47Å; I751-L754 PolarHBondContact N-O 2.9Å; I751-L754 WeakPolarHBondContact O-CA 3.18Å; I751-L754 PolarHBondContact O-N 2.85Å
752	G	80.7	Confident	88.9	Confident	15 Å²	15	41.4 Å²	41.4	16%	0.155	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-123.9	-175	0	0	0	0	0	111.5	R755	G752-R755 PolarHBondContact O-NE 2.96Å
753	G	78.3	Confident	88.9	Confident	33 Å²	33	41.6 Å²	41.6	34%	0.34	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	171.5	0	0	0	0	0	116.1	I751 R755	I751-G753 PolarHBondContact O-N 3.38Å; G753-R755 VanDerWaalsContact C-N 3.3Å; G753-R755 PolarHBondContact O-N 3.49Å
754	L	85.9	Confident	88.9	Confident	78 Å²	78	40.3 Å²	40.3	41%	0.408	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-82.2	75.4	173.5	-69.5	-173.3	0	0	0	110.8	L642 L690 G750 I751	L642-L754 HydrophobicContact CD2-CB 4.06Å; L642-L754 HydrophobicContact CD2-CD1 3.81Å; L642-L754 HydrophobicContact CD2-CG 3.7Å; L690-L754 HydrophobicContact CD2-CB 4.45Å; G750-L754 CarbonylContact C-O 3.56Å; G750-L754 WeakPolarHBondContact CA-O 3.4Å; I751-L754 HydrophobicContact CG2-CB 4.47Å; I751-L754 PolarHBondContact N-O 2.9Å; I751-L754 WeakPolarHBondContact O-CA 3.18Å; I751-L754 PolarHBondContact O-N 2.85Å
755	R	88.7	Confident	88.3	Confident	138 Å²	138	41.8 Å²	41.8	52%	0.521	24%	0.235	S	C	.	.			trans	-117.2	152.8	175.6	-58.7	-172.2	-164.5	-149.8	4.8	111.1	G752 G753	G752-R755 PolarHBondContact O-NE 2.96Å; G753-R755 VanDerWaalsContact C-N 3.3Å; G753-R755 PolarHBondContact O-N 3.49Å
756	P	92.1	Very high	87.2	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.065	25%	0.248	C	C	.	.			trans	-66.3	155.6	165.3	31.7	-33.8	0	0	0	110	Q659 L661 V749 M793	Q659-P756 WeakPolarHBondContact O-CA 3.3Å; L661-P756 HydrophobicContact CB-CB 3.67Å; L661-P756 HydrophobicContact CB-CG 3.95Å; L661-P756 HydrophobicContact CD2-CG 4.28Å; V749-P756 HydrophobicContact CG1-CG 4.04Å; V749-P756 WeakPolarHBondContact O-CD 3.41Å; P756-M793 HydrophobicContact CB-CE 4.23Å; P756-M793 HydrophobicContact CG-CE 4.24Å
757	N	90	Very high	86.6	Confident	40 Å²	40	44.1 Å²	44.1	21%	0.214	25%	0.249	C	C	.	.			trans	-130.4	-3.3	170.7	66	10.8	0	0	0	112.3	W656 R657 Q659 C794	W656-N757 HydrophobicContact CZ2-CB 4.45Å; W656-N757 WeakPolarHBondContact CZ2-OD1 3.21Å; W656-N757 PolarHBondContact NE1-ND2 3.43Å; R657-N757 PolarHBondContact O-ND2 2.71Å; Q659-N757 PolarHBondContact N-OD1 3.32Å; Q659-N757 PolarHBondContact O-N 3.23Å; Q659-N757 PolarHBondContact O-OD1 3.08Å; N757-C794 PolarHBondContact O-N 3.15Å
758	T	93	Very high	85.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123	-174.5	-55.9	0	0	0	0	108.7	W656 P658 Q659 L660 L661 C794 L796	W656-T758 VanDerWaalsContact CH2-OG1 3.24Å; W656-T758 WeakPolarHBondContact CH2-OG1 3.36Å; W656-T758 WeakPolarHBondContact CZ2-OG1 3.21Å; P658-T758 WeakPolarHBondContact CA-OG1 3.13Å; P658-T758 HydrophobicContact CB-CG2 4.4Å; Q659-T758 PolarHBondContact O-N 2.98Å; L660-T758 CarbonylContact C-O 3.57Å; L660-T758 WeakPolarHBondContact CA-O 3.41Å; L660-T758 HydrophobicContact CD2-CG2 3.72Å; L661-T758 PolarHBondContact N-O 3.01Å; T758-C794 CarbonylContact C-O 3.56Å; T758-C794 WeakPolarHBondContact CA-O 3.5Å; T758-C794 HydrophobicContact CG2-CB 3.94Å; T758-L796 HydrophobicContact CG2-CD1 3.6Å; T758-L796 HydrophobicContact CG2-CG 3.67Å
759	I	94.6	Very high	84.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.7	178.6	-64.9	162.3	0	0	0	108.8	L661 L663 I746 V761 A788 M793 C794 L795 L796	L661-I759 HydrophobicContact CB-CG1 4.27Å; L661-I759 HydrophobicContact CD2-CG1 4.32Å; L661-I759 CarbonylContact O-C 3.41Å; L661-I759 WeakPolarHBondContact O-CA 3.33Å; L663-I759 HydrophobicContact CD1-CG2 3.89Å; L663-I759 HydrophobicContact CG-CG2 4.06Å; I746-I759 HydrophobicContact CB-CD1 4.4Å; I746-I759 HydrophobicContact CD1-CD1 3.66Å; I746-I759 HydrophobicContact CG1-CD1 3.64Å; I746-I759 HydrophobicContact CG2-CD1 3.92Å; I759-V761 HydrophobicContact CG2-CG2 3.7Å; I759-A788 HydrophobicContact CD1-CB 3.52Å; I759-M793 HydrophobicContact CD1-CB 3.73Å; I759-M793 HydrophobicContact CD1-CE 3.89Å; I759-M793 HydrophobicContact CD1-CG 3.81Å; I759-M793 HydrophobicContact CG1-CB 4.29Å; I759-M793 HydrophobicContact CG1-CE 3.73Å; I759-C794 PolarHBondContact N-O 3.12Å; I759-L795 HydrophobicContact CB-CD2 4.32Å; I759-L795 HydrophobicContact CG2-CD2 4.43Å; I759-L796 PolarHBondContact O-N 3.26Å
760	M	94.6	Very high	82.4	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.4	173.4	-165.6	173.6	75.2	0	0	110.5	L661 I662 L663 A677 F680 A681 L796 P798	L661-M760 PolarHBondContact O-N 3.43Å; I662-M760 HydrophobicContact CB-CE 4.49Å; I662-M760 HydrophobicContact CD1-CE 3.97Å; I662-M760 HydrophobicContact CG1-CB 4.49Å; I662-M760 HydrophobicContact CG1-CE 4.04Å; I662-M760 HydrophobicContact CG2-CE 3.76Å; L663-M760 PolarHBondContact N-O 3.34Å; A677-M760 HydrophobicContact CB-CE 4.16Å; A677-M760 WeakPolarHBondContact O-CE 3.26Å; F680-M760 HydrophobicContact CD1-SD 3.8Å; F680-M760 HydrophobicContact CE1-SD 4.11Å; A681-M760 HydrophobicContact CB-CE 4.09Å; M760-L796 VanDerWaalsContact CA-O 3.28Å; M760-L796 WeakPolarHBondContact CA-O 3.33Å; M760-L796 HydrophobicContact CB-CB 4.29Å; M760-L796 HydrophobicContact CG-CB 4.04Å; M760-P798 HydrophobicContact CG-CG 4.4Å; M760-P798 HydrophobicContact SD-CG 4.44Å
761	V	91.3	Very high	80.7	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.7	-179	-162.7	0	0	0	0	109.6	L663 I759 F781 L796	L663-V761 HydrophobicContact CD1-CG2 4.15Å; I759-V761 HydrophobicContact CG2-CG2 3.7Å; V761-F781 HydrophobicContact CB-CD2 4.48Å; V761-F781 HydrophobicContact CB-CE2 4.42Å; V761-F781 HydrophobicContact CG1-CD2 3.74Å; V761-F781 HydrophobicContact CG1-CE2 4.14Å; V761-L796 PolarHBondContact N-O 2.94Å
762	G	88	Confident	79	Confident	27 Å²	27	51.3 Å²	51.3	28%	0.278	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-67.3	141.9	176.8	0	0	0	0	0	112.6	F781	G762-F781 WeakPolarHBondContact O-CD2 3.5Å; G762-F781 WeakPolarHBondContact O-CE2 3.44Å
763	W	88.4	Confident	77.7	Confident	12 Å²	12	58.6 Å²	58.6	5%	0.045	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.9	138.2	177	-174.5	-92.4	0	0	0	112.5	Y765 F781 V797 P798 K799 M1074 L1077 E1078 L1089	W763-Y765 WeakPolarHBondContact O-CD2 3.27Å; W763-F781 HydrophobicContact CE3-CE1 4.48Å; W763-F781 AromaticContact CE3-CZ 3.91Å; W763-F781 HydrophobicContact CE3-CZ 3.91Å; W763-F781 HydrophobicContact CZ3-CE1 4.44Å; W763-F781 HydrophobicContact CZ3-CZ 4.2Å; W763-V797 HydrophobicContact CE3-CG1 3.86Å; W763-P798 PolarHBondContact N-O 2.92Å; W763-K799 HydrophobicContact CB-CB 3.98Å; W763-K799 HydrophobicContact CB-CG 4.36Å; W763-K799 HydrophobicContact CD2-CB 4.02Å; W763-K799 HydrophobicContact CD2-CD 3.86Å; W763-K799 HydrophobicContact CD2-CG 4Å; W763-K799 HydrophobicContact CE3-CB 4.22Å; W763-K799 HydrophobicContact CE3-CD 4.27Å; W763-K799 HydrophobicContact CG-CB 3.89Å; W763-K799 HydrophobicContact CG-CD 4.22Å; W763-K799 HydrophobicContact CG-CG 3.85Å; W763-K799 HydrophobicContact CZ2-CD 4.26Å; W763-M1074 HydrophobicContact CH2-CE 4.01Å; W763-M1074 HydrophobicContact CZ2-CE 4.07Å; W763-L1077 HydrophobicContact CH2-CB 3.87Å; W763-L1077 HydrophobicContact CH2-CD1 4.46Å; W763-L1077 HydrophobicContact CZ3-CB 4.25Å; W763-L1077 HydrophobicContact CZ3-CD1 4.22Å; W763-E1078 VanDerWaalsContact CZ2-OE2 3.23Å; W763-E1078 WeakPolarHBondContact CZ2-OE2 3.36Å; W763-L1089 HydrophobicContact CE3-CD1 4.45Å; W763-L1089 HydrophobicContact CZ3-CD1 4.01Å
764	P	85.5	Confident	76.6	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.065	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-76.4	126.2	175.9	31.5	-33.5	0	0	0	110.4	W767 F781 M1074	P764-W767 VanDerWaalsContact O-CD1 3.23Å; P764-F781 HydrophobicContact CG-CB 4.3Å; P764-F781 HydrophobicContact CG-CD1 3.7Å; P764-F781 HydrophobicContact CG-CD2 4.38Å; P764-F781 HydrophobicContact CG-CE1 4Å; P764-F781 HydrophobicContact CG-CG 3.88Å; P764-F781 HydrophobicContact CG-CZ 4.44Å; P764-M1074 HydrophobicContact CG-CE 3.87Å
765	Y	77.6	Confident	75.6	Confident	98 Å²	98	58.8 Å²	58.8	38%	0.384	31%	0.311	S	S	.	.	S	Bend	trans	-89.5	-39.3	-178.7	-73.2	-88.6	0	0	0	113.7	V673 W763 W767 L801	V673-Y765 HydrophobicContact CG1-CE2 4.18Å; V673-Y765 HydrophobicContact CG2-CD2 4.45Å; V673-Y765 HydrophobicContact CG2-CE2 4.08Å; W763-Y765 WeakPolarHBondContact O-CD2 3.27Å; Y765-W767 VanDerWaalsContact C-N 3.28Å; Y765-W767 PolarHBondContact O-N 3.22Å; Y765-L801 PolarHBondContact OH-N 3.45Å
766	S	67.7	Low	74.8	Confident	42 Å²	42	55.7 Å²	55.7	29%	0.294	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-74.3	-4.4	-172.6	50.4	0	0	0	0	116.1	K768 D769 H772 D775	S766-K768 PolarHBondContact O-N 3.32Å; S766-D769 PolarHBondContact O-N 2.94Å; S766-H772 PolarHBondContact O-CE1 3.07Å; S766-D775 PolarHBondContact OG-OD2 3.03Å
767	W	76	Confident	74	Confident	24 Å²	24	57.7 Å²	57.7	9%	0.091	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-73.3	3.1	-167.9	85.1	-76.4	0	0	0	115.4	P764 Y765 H772 Y778 M1074 E1078	P764-W767 VanDerWaalsContact O-CD1 3.23Å; Y765-W767 VanDerWaalsContact C-N 3.28Å; Y765-W767 PolarHBondContact O-N 3.22Å; W767-H772 PolarHBondContact O-CE1 2.94Å; W767-H772 PolarHBondContact O-ND1 3.42Å; W767-Y778 HydrophobicContact CB-CD2 3.68Å; W767-Y778 HydrophobicContact CB-CE2 4.36Å; W767-Y778 HydrophobicContact CB-CG 4.48Å; W767-Y778 HydrophobicContact CD2-CD2 4.4Å; W767-Y778 HydrophobicContact CD2-CE2 4.25Å; W767-Y778 HydrophobicContact CE3-CD2 4.2Å; W767-Y778 AromaticContact CE3-CE2 3.68Å; W767-Y778 HydrophobicContact CE3-CE2 3.68Å; W767-Y778 HydrophobicContact CG-CD2 4.24Å; W767-Y778 HydrophobicContact CZ3-CE2 4.43Å; W767-M1074 HydrophobicContact CD2-CE 4.34Å; W767-M1074 HydrophobicContact CH2-CB 4.26Å; W767-M1074 HydrophobicContact CZ3-CB 4.14Å; W767-E1078 HydrophobicContact CH2-CB 4.14Å; W767-E1078 HydrophobicContact CH2-CG 4.44Å; W767-E1078 HydrophobicContact CZ2-CB 3.65Å; W767-E1078 HydrophobicContact CZ2-CG 3.73Å
768	K	67.4	Low	73.6	Confident	106 Å²	106	56.5 Å²	56.5	46%	0.461	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-103.8	-11.1	173.6	-67.8	-167.4	-174.8	179.6	0	114.4	S766 S770 H772 E1078	S766-K768 PolarHBondContact O-N 3.32Å; K768-S770 PolarHBondContact O-N 2.89Å; K768-H772 WeakPolarHBondContact CA-NE2 3.36Å; K768-H772 PolarHBondContact N-CE1 3.38Å; K768-H772 VanDerWaalsContact N-CE1 3.35Å; K768-H772 PolarHBondContact O-NE2 3.1Å; K768-E1078 VanDerWaalsContact CE-CD 3.43Å; K768-E1078 VanDerWaalsContact CE-OE1 3.27Å; K768-E1078 WeakPolarHBondContact CE-OE1 3.48Å; K768-E1078 VanDerWaalsContact NZ-CD 3.33Å; K768-E1078 IonicContact NZ-OE1 2.78Å; K768-E1078 PolarHBondContact NZ-OE1 2.97Å
769	D	64.2	Low	73.1	Confident	116 Å²	116	59.6 Å²	59.6	62%	0.62	32%	0.322	S	S	*	.	S	Bend	trans	-77.6	75.2	179.3	-56.8	-41.5	0	0	0	114.8	S766 I771 H772	S766-D769 PolarHBondContact O-N 2.94Å; D769-I771 PolarHBondContact O-N 2.94Å; D769-H772 WeakPolarHBondContact CA-CE1 3.49Å; D769-H772 WeakPolarHBondContact CA-NE2 3.27Å; D769-H772 PolarHBondContact N-CE1 3.21Å; D769-H772 PolarHBondContact N-NE2 3.06Å; D769-H772 PolarHBondContact O-CE1 3.05Å
770	S	49.1	Very low	72.6	Confident	112 Å²	112	60.6 Å²	60.6	78%	0.783	33%	0.327	S	S	*	.	S	Bend	trans	34.9	8.4	167.5	59.3	0	0	0	0	125.2	K768 H772	K768-S770 PolarHBondContact O-N 2.89Å; S770-H772 VanDerWaalsContact CA-NE2 3.26Å; S770-H772 WeakPolarHBondContact CA-NE2 3.3Å; S770-H772 PolarHBondContact N-CE1 3.34Å; S770-H772 PolarHBondContact N-NE2 3.42Å
771	I	53.5	Low	72.3	Confident	129 Å²	129	60.7 Å²	60.7	66%	0.662	33%	0.328	S	S	*	.			trans	-129.7	47.9	179.9	-37.6	-177.5	0	0	0	113.9	D769 Q773 A774	D769-I771 PolarHBondContact O-N 2.94Å; I771-Q773 PolarHBondContact O-N 2.88Å; I771-A774 PolarHBondContact O-N 2.95Å
772	H	51.7	Low	72.1	Confident	74 Å²	74	60.1 Å²	60.1	34%	0.343	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	39.4	-152.1	-61.9	-40.3	0	0	0	120.5	S766 W767 K768 D769 S770	S766-H772 PolarHBondContact O-CE1 3.07Å; W767-H772 PolarHBondContact O-CE1 2.94Å; W767-H772 PolarHBondContact O-ND1 3.42Å; K768-H772 WeakPolarHBondContact CA-NE2 3.36Å; K768-H772 PolarHBondContact N-CE1 3.38Å; K768-H772 VanDerWaalsContact N-CE1 3.35Å; K768-H772 PolarHBondContact O-NE2 3.1Å; D769-H772 WeakPolarHBondContact CA-CE1 3.49Å; D769-H772 WeakPolarHBondContact CA-NE2 3.27Å; D769-H772 PolarHBondContact N-CE1 3.21Å; D769-H772 PolarHBondContact N-NE2 3.06Å; D769-H772 PolarHBondContact O-CE1 3.05Å; S770-H772 VanDerWaalsContact CA-NE2 3.26Å; S770-H772 WeakPolarHBondContact CA-NE2 3.3Å; S770-H772 PolarHBondContact N-CE1 3.34Å; S770-H772 PolarHBondContact N-NE2 3.42Å
773	Q	54	Low	72	Confident	168 Å²	168	59 Å²	59	79%	0.785	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-9.2	159.7	-64.8	-171.8	11.8	0	0	113.6	I771 W779	I771-Q773 PolarHBondContact O-N 2.88Å; Q773-W779 PolarHBondContact O-NE1 3.48Å; Q773-W779 VanDerWaalsContact O-NE1 3.08Å
774	A	56	Low	71.9	Confident	81 Å²	81	58.6 Å²	58.6	67%	0.669	31%	0.311	S	S	*	.	S	Bend	trans	-99.2	-16.6	-174.6	0	0	0	0	0	115.2	I771 P776	I771-A774 PolarHBondContact O-N 2.95Å; A774-P776 VanDerWaalsContact O-CD 3.25Å; A774-P776 WeakPolarHBondContact O-CD 3.21Å
775	D	64.7	Low	72.1	Confident	33 Å²	33	58.1 Å²	58.1	18%	0.176	31%	0.308	C	S	.	.			trans	-70.7	113.9	179.3	-175.4	-8	0	0	0	110.9	S766 H777 Y778	S766-D775 PolarHBondContact OG-OD2 3.03Å; D775-H777 PolarHBondContact O-N 3Å; D775-H777 WeakPolarHBondContact OD1-CA 3.07Å; D775-H777 VanDerWaalsContact OD1-CB 3.23Å; D775-H777 WeakPolarHBondContact OD1-CB 3.18Å; D775-H777 IonicContact OD1-CD2 3.55Å; D775-H777 PolarHBondContact OD1-CD2 3.39Å; D775-H777 IonicContact OD1-CG 3.45Å; D775-H777 PolarHBondContact OD1-N 3.1Å; D775-Y778 PolarHBondContact O-N 3.04Å
776	P	72.7	Confident	72.7	Confident	74 Å²	74	55.4 Å²	55.4	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-26	177.3	29.3	-35.6	0	0	0	112.3	A774 Y778 W779 N780	A774-P776 VanDerWaalsContact O-CD 3.25Å; A774-P776 WeakPolarHBondContact O-CD 3.21Å; P776-Y778 VanDerWaalsContact C-N 3.32Å; P776-Y778 PolarHBondContact O-N 3.3Å; P776-W779 PolarHBondContact O-N 3.21Å; P776-N780 VanDerWaalsContact O-CB 3.23Å; P776-N780 WeakPolarHBondContact O-CB 3.39Å; P776-N780 PolarHBondContact O-N 3.38Å; P776-N780 PolarHBondContact O-ND2 3.35Å; P776-N780 VanDerWaalsContact O-ND2 3.16Å
777	H	74.6	Confident	73.7	Confident	51 Å²	51	55.7 Å²	55.7	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-35.3	-179.5	-55.5	-67.2	0	0	0	112	K665 D667 D775 F781	K665-H777 PolarHBondContact NZ-O 2.88Å; D667-H777 IonicContact OD1-CE1 3.42Å; D667-H777 IonicContact OD2-CE1 3.99Å; D667-H777 PolarHBondContact OD2-CE1 2.89Å; D667-H777 VanDerWaalsContact OD2-CE1 3.31Å; D667-H777 IonicContact OD2-ND1 3.31Å; D775-H777 PolarHBondContact O-N 3Å; D775-H777 WeakPolarHBondContact OD1-CA 3.07Å; D775-H777 VanDerWaalsContact OD1-CB 3.23Å; D775-H777 WeakPolarHBondContact OD1-CB 3.18Å; D775-H777 IonicContact OD1-CD2 3.55Å; D775-H777 PolarHBondContact OD1-CD2 3.39Å; D775-H777 IonicContact OD1-CG 3.45Å; D775-H777 PolarHBondContact OD1-N 3.1Å; H777-F781 PolarHBondContact O-N 3.07Å
778	Y	81.4	Confident	74.3	Confident	16 Å²	16	54.6 Å²	54.6	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-54.4	174.7	168.6	-100.8	0	0	0	111.3	W767 D775 P776 N780 F781 L782 P1071 M1074	W767-Y778 HydrophobicContact CB-CD2 3.68Å; W767-Y778 HydrophobicContact CB-CE2 4.36Å; W767-Y778 HydrophobicContact CB-CG 4.48Å; W767-Y778 HydrophobicContact CD2-CD2 4.4Å; W767-Y778 HydrophobicContact CD2-CE2 4.25Å; W767-Y778 HydrophobicContact CE3-CD2 4.2Å; W767-Y778 AromaticContact CE3-CE2 3.68Å; W767-Y778 HydrophobicContact CE3-CE2 3.68Å; W767-Y778 HydrophobicContact CG-CD2 4.24Å; W767-Y778 HydrophobicContact CZ3-CE2 4.43Å; D775-Y778 PolarHBondContact O-N 3.04Å; P776-Y778 VanDerWaalsContact C-N 3.32Å; P776-Y778 PolarHBondContact O-N 3.3Å; Y778-N780 PolarHBondContact O-N 3.28Å; Y778-F781 WeakPolarHBondContact O-CB 3.44Å; Y778-F781 PolarHBondContact O-N 3.41Å; Y778-L782 HydrophobicContact CD1-CD1 4.28Å; Y778-L782 HydrophobicContact CE1-CD1 3.65Å; Y778-L782 HydrophobicContact CE2-CD1 4.08Å; Y778-L782 PolarHBondContact O-N 2.91Å; Y778-P1071 WeakPolarHBondContact OH-CA 3.14Å; Y778-M1074 HydrophobicContact CE2-CB 4.17Å; Y778-M1074 HydrophobicContact CE2-CE 4.38Å; Y778-M1074 HydrophobicContact CE2-CG 3.74Å
779	W	83	Confident	75.2	Confident	65 Å²	65	49.7 Å²	49.7	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-44.6	179.1	-76.7	112	0	0	0	111.5	Q773 P776 F781 L782 D783 P1071	Q773-W779 PolarHBondContact O-NE1 3.48Å; Q773-W779 VanDerWaalsContact O-NE1 3.08Å; P776-W779 PolarHBondContact O-N 3.21Å; W779-F781 PolarHBondContact O-N 3.1Å; W779-L782 HydrophobicContact CE3-CD1 4.37Å; W779-L782 HydrophobicContact CZ3-CD1 4.39Å; W779-L782 PolarHBondContact O-N 3.43Å; W779-D783 VanDerWaalsContact O-CB 3.22Å; W779-D783 WeakPolarHBondContact O-CB 3.45Å; W779-D783 PolarHBondContact O-N 3.33Å; W779-P1071 HydrophobicContact CH2-CG 4.22Å
780	N	83.1	Confident	76.3	Confident	22 Å²	22	49.1 Å²	49.1	12%	0.118	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-27.3	178.9	-71.8	-23.3	0	0	0	113.6	P776 Y778 A784	P776-N780 VanDerWaalsContact O-CB 3.23Å; P776-N780 WeakPolarHBondContact O-CB 3.39Å; P776-N780 PolarHBondContact O-N 3.38Å; P776-N780 PolarHBondContact O-ND2 3.35Å; P776-N780 VanDerWaalsContact O-ND2 3.16Å; Y778-N780 PolarHBondContact O-N 3.28Å; N780-A784 VanDerWaalsContact O-CB 3.31Å; N780-A784 WeakPolarHBondContact O-CB 3.45Å; N780-A784 PolarHBondContact O-N 3Å
781	F	87.9	Confident	78.1	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-73.3	-48.9	173.1	172.6	-100	0	0	0	111.7	V761 G762 W763 P764 H777 Y778 W779 D783 A784 I785 V797 M1074	V761-F781 HydrophobicContact CB-CD2 4.48Å; V761-F781 HydrophobicContact CB-CE2 4.42Å; V761-F781 HydrophobicContact CG1-CD2 3.74Å; V761-F781 HydrophobicContact CG1-CE2 4.14Å; G762-F781 WeakPolarHBondContact O-CD2 3.5Å; G762-F781 WeakPolarHBondContact O-CE2 3.44Å; W763-F781 HydrophobicContact CE3-CE1 4.48Å; W763-F781 AromaticContact CE3-CZ 3.91Å; W763-F781 HydrophobicContact CE3-CZ 3.91Å; W763-F781 HydrophobicContact CZ3-CE1 4.44Å; W763-F781 HydrophobicContact CZ3-CZ 4.2Å; P764-F781 HydrophobicContact CG-CB 4.3Å; P764-F781 HydrophobicContact CG-CD1 3.7Å; P764-F781 HydrophobicContact CG-CD2 4.38Å; P764-F781 HydrophobicContact CG-CE1 4Å; P764-F781 HydrophobicContact CG-CG 3.88Å; P764-F781 HydrophobicContact CG-CZ 4.44Å; H777-F781 PolarHBondContact O-N 3.07Å; Y778-F781 WeakPolarHBondContact O-CB 3.44Å; Y778-F781 PolarHBondContact O-N 3.41Å; W779-F781 PolarHBondContact O-N 3.1Å; F781-D783 PolarHBondContact O-N 2.84Å; F781-A784 PolarHBondContact O-N 3.26Å; F781-I785 HydrophobicContact CD1-CD1 4.19Å; F781-I785 HydrophobicContact CE1-CD1 3.53Å; F781-I785 HydrophobicContact CE2-CD1 3.94Å; F781-I785 HydrophobicContact CZ-CD1 3.41Å; F781-I785 VanDerWaalsContact CZ-CD1 3.41Å; F781-I785 HydrophobicContact CZ-CG1 4.47Å; F781-I785 PolarHBondContact O-N 3.23Å; F781-V797 HydrophobicContact CE2-CG1 3.92Å; F781-V797 HydrophobicContact CZ-CG1 3.77Å; F781-M1074 HydrophobicContact CD1-CE 4Å; F781-M1074 HydrophobicContact CD1-SD 3.9Å; F781-M1074 HydrophobicContact CE1-CE 3.76Å; F781-M1074 HydrophobicContact CE1-SD 3.62Å
782	L	87.7	Confident	79.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-45.3	175.7	-87.4	176.1	0	0	0	112.6	Y778 W779 A784 I785 H786 L1070 Y1073 M1074	Y778-L782 HydrophobicContact CD1-CD1 4.28Å; Y778-L782 HydrophobicContact CE1-CD1 3.65Å; Y778-L782 HydrophobicContact CE2-CD1 4.08Å; Y778-L782 PolarHBondContact O-N 2.91Å; W779-L782 HydrophobicContact CE3-CD1 4.37Å; W779-L782 HydrophobicContact CZ3-CD1 4.39Å; W779-L782 PolarHBondContact O-N 3.43Å; L782-A784 VanDerWaalsContact C-N 3.26Å; L782-A784 PolarHBondContact O-N 2.82Å; L782-I785 PolarHBondContact O-N 3.22Å; L782-H786 VanDerWaalsContact O-CB 3.3Å; L782-H786 WeakPolarHBondContact O-CB 3.41Å; L782-H786 PolarHBondContact O-N 3.04Å; L782-L1070 HydrophobicContact CB-CD1 4.37Å; L782-L1070 HydrophobicContact CD1-CB 3.87Å; L782-L1070 HydrophobicContact CD2-CB 3.79Å; L782-L1070 HydrophobicContact CD2-CD2 4.19Å; L782-L1070 HydrophobicContact CD2-CG 4.43Å; L782-L1070 HydrophobicContact CG-CB 4.28Å; L782-Y1073 HydrophobicContact CD2-CD1 4.36Å; L782-M1074 HydrophobicContact CD1-CG 3.84Å; L782-M1074 HydrophobicContact CD2-CG 3.56Å; L782-M1074 HydrophobicContact CD2-SD 3.71Å; L782-M1074 HydrophobicContact CG-CG 3.8Å; L782-M1074 HydrophobicContact CG-SD 4.06Å
783	D	85.4	Confident	81.3	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-26.9	178.2	-97	54.1	0	0	0	112.2	S739 W779 F781 R787 R1067	S739-D783 WeakPolarHBondContact CB-OD2 3.27Å; W779-D783 VanDerWaalsContact O-CB 3.22Å; W779-D783 WeakPolarHBondContact O-CB 3.45Å; W779-D783 PolarHBondContact O-N 3.33Å; F781-D783 PolarHBondContact O-N 2.84Å; D783-R787 WeakPolarHBondContact O-CB 3.42Å; D783-R787 WeakPolarHBondContact O-CD 3.41Å; D783-R787 VanDerWaalsContact O-CG 3.25Å; D783-R787 WeakPolarHBondContact O-CG 3.47Å; D783-R787 PolarHBondContact O-N 2.95Å; D783-R787 PolarHBondContact O-NH1 3.28Å; D783-R787 IonicContact OD2-CZ 2.77Å; D783-R787 IonicContact OD2-NH1 3.4Å; D783-R787 PolarHBondContact OD2-NH1 3.34Å; D783-R787 IonicContact OD2-NH2 3.17Å; D783-R787 PolarHBondContact OD2-NH2 3.5Å; D783-R1067 IonicContact OD1-CZ 3.41Å; D783-R1067 IonicContact OD1-NE 2.92Å; D783-R1067 PolarHBondContact OD1-NE 3.02Å; D783-R1067 IonicContact OD1-NH2 3.68Å; D783-R1067 PolarHBondContact OD1-NH2 2.72Å; D783-R1067 IonicContact OD2-CZ 3.11Å; D783-R1067 IonicContact OD2-NH2 3.71Å; D783-R1067 PolarHBondContact OD2-NH2 3.35Å
784	A	87.4	Confident	83.2	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-77.9	-46.9	172.9	0	0	0	0	0	112.6	L663 V742 N780 F781 L782 H786 R787 A788	L663-A784 HydrophobicContact CD1-CB 4.29Å; V742-A784 HydrophobicContact CG1-CB 4Å; N780-A784 VanDerWaalsContact O-CB 3.31Å; N780-A784 WeakPolarHBondContact O-CB 3.45Å; N780-A784 PolarHBondContact O-N 3Å; F781-A784 PolarHBondContact O-N 3.26Å; L782-A784 VanDerWaalsContact C-N 3.26Å; L782-A784 PolarHBondContact O-N 2.82Å; A784-H786 VanDerWaalsContact C-N 3.33Å; A784-H786 PolarHBondContact O-N 3.12Å; A784-R787 PolarHBondContact O-N 3.34Å; A784-A788 VanDerWaalsContact O-CB 3.22Å; A784-A788 WeakPolarHBondContact O-CB 3.48Å; A784-A788 PolarHBondContact O-N 3.1Å
785	I	89.8	Confident	84.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-45.7	174.6	-74.7	178.9	0	0	0	110.8	F781 L782 A789 L795 V797 P1063 Y1073	F781-I785 HydrophobicContact CD1-CD1 4.19Å; F781-I785 HydrophobicContact CE1-CD1 3.53Å; F781-I785 HydrophobicContact CE2-CD1 3.94Å; F781-I785 HydrophobicContact CZ-CD1 3.41Å; F781-I785 VanDerWaalsContact CZ-CD1 3.41Å; F781-I785 HydrophobicContact CZ-CG1 4.47Å; F781-I785 PolarHBondContact O-N 3.23Å; L782-I785 PolarHBondContact O-N 3.22Å; I785-A789 VanDerWaalsContact O-CB 3.22Å; I785-A789 WeakPolarHBondContact O-CB 3.4Å; I785-A789 PolarHBondContact O-N 3.49Å; I785-L795 HydrophobicContact CG1-CD2 4.5Å; I785-L795 HydrophobicContact CG2-CD1 4.15Å; I785-V797 HydrophobicContact CD1-CG2 4.06Å; I785-V797 HydrophobicContact CG1-CG2 4.4Å; I785-P1063 HydrophobicContact CG2-CB 4.09Å; I785-P1063 HydrophobicContact CG2-CG 4.01Å; I785-Y1073 HydrophobicContact CG2-CE1 4.23Å
786	H	89.3	Confident	86.4	Confident	41 Å²	41	26.8 Å²	26.8	19%	0.19	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-48.7	179.9	-174.5	68.1	0	0	0	111.4	L782 A784 A789 T790 P1064 L1070	L782-H786 VanDerWaalsContact O-CB 3.3Å; L782-H786 WeakPolarHBondContact O-CB 3.41Å; L782-H786 PolarHBondContact O-N 3.04Å; A784-H786 VanDerWaalsContact C-N 3.33Å; A784-H786 PolarHBondContact O-N 3.12Å; H786-A789 PolarHBondContact O-N 3.45Å; H786-T790 PolarHBondContact O-N 3.13Å; H786-T790 PolarHBondContact O-OG1 2.73Å; H786-T790 VanDerWaalsContact O-OG1 3.1Å; H786-P1064 PolarHBondContact CE1-O 3.43Å; H786-P1064 PolarHBondContact ND1-O 3.39Å; H786-L1070 HydrophobicContact CB-CD1 4.36Å; H786-L1070 HydrophobicContact CB-CD2 4.31Å
787	R	89.4	Confident	87.4	Confident	48 Å²	48	23.3 Å²	23.3	18%	0.181	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-43.6	178.4	-75.5	175.4	179	78.5	-4.8	113.3	S739 S743 I746 D783 A784 A789 T790 A791	S739-R787 PolarHBondContact O-NE 3.13Å; S739-R787 PolarHBondContact O-NH1 3.44Å; S739-R787 PolarHBondContact O-NH2 2.98Å; S739-R787 VanDerWaalsContact O-NH2 3.12Å; S743-R787 VanDerWaalsContact OG-CD 3.26Å; S743-R787 WeakPolarHBondContact OG-CD 3.31Å; S743-R787 PolarHBondContact OG-NE 3.27Å; I746-R787 HydrophobicContact CD1-CB 4.14Å; D783-R787 WeakPolarHBondContact O-CB 3.42Å; D783-R787 WeakPolarHBondContact O-CD 3.41Å; D783-R787 VanDerWaalsContact O-CG 3.25Å; D783-R787 WeakPolarHBondContact O-CG 3.47Å; D783-R787 PolarHBondContact O-N 2.95Å; D783-R787 PolarHBondContact O-NH1 3.28Å; D783-R787 IonicContact OD2-CZ 2.77Å; D783-R787 IonicContact OD2-NH1 3.4Å; D783-R787 PolarHBondContact OD2-NH1 3.34Å; D783-R787 IonicContact OD2-NH2 3.17Å; D783-R787 PolarHBondContact OD2-NH2 3.5Å; A784-R787 PolarHBondContact O-N 3.34Å; R787-A789 VanDerWaalsContact C-N 3.28Å; R787-A789 PolarHBondContact O-N 2.96Å; R787-T790 PolarHBondContact O-N 3.4Å; R787-A791 WeakPolarHBondContact O-CB 3.13Å; R787-A791 PolarHBondContact O-N 2.99Å
788	A	88.8	Confident	88.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-40.9	175	0	0	0	0	0	111.9	I746 I759 A784 T790 A791 M793 L795	I746-A788 HydrophobicContact CD1-CB 4.26Å; I759-A788 HydrophobicContact CD1-CB 3.52Å; A784-A788 VanDerWaalsContact O-CB 3.22Å; A784-A788 WeakPolarHBondContact O-CB 3.48Å; A784-A788 PolarHBondContact O-N 3.1Å; A788-T790 VanDerWaalsContact C-N 3.32Å; A788-T790 PolarHBondContact O-N 3.22Å; A788-A791 PolarHBondContact O-N 2.98Å; A788-M793 PolarHBondContact O-N 3.03Å; A788-L795 HydrophobicContact CB-CD1 4.03Å; A788-L795 HydrophobicContact CB-CD2 3.67Å; A788-L795 HydrophobicContact CB-CG 3.89Å
789	A	86.3	Confident	88.8	Confident	4 Å²	4	21.2 Å²	21.2	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-73.1	-20.1	178.1	0	0	0	0	0	114.5	I785 H786 R787 L795 P1063	I785-A789 VanDerWaalsContact O-CB 3.22Å; I785-A789 WeakPolarHBondContact O-CB 3.4Å; I785-A789 PolarHBondContact O-N 3.49Å; H786-A789 PolarHBondContact O-N 3.45Å; R787-A789 VanDerWaalsContact C-N 3.28Å; R787-A789 PolarHBondContact O-N 2.96Å; A789-L795 HydrophobicContact CB-CD1 4.32Å; A789-P1063 HydrophobicContact CB-CG 3.39Å
790	T	86.5	Confident	89	Confident	104 Å²	104	18.4 Å²	18.4	64%	0.638	10%	0.103	S	C	*	.	H	α-helix	trans	-87.9	-23.4	170.8	-58.7	0	0	0	0	112.8	H786 R787 A788 D792	H786-T790 PolarHBondContact O-N 3.13Å; H786-T790 PolarHBondContact O-OG1 2.73Å; H786-T790 VanDerWaalsContact O-OG1 3.1Å; R787-T790 PolarHBondContact O-N 3.4Å; A788-T790 VanDerWaalsContact C-N 3.32Å; A788-T790 PolarHBondContact O-N 3.22Å; T790-D792 VanDerWaalsContact C-N 3.29Å; T790-D792 PolarHBondContact O-N 3.36Å
791	A	86.5	Confident	89.2	Confident	38 Å²	38	17.3 Å²	17.3	31%	0.314	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	12	178.5	0	0	0	0	0	113.8	I746 R787 A788 M793	I746-A791 HydrophobicContact CG2-CB 3.72Å; R787-A791 WeakPolarHBondContact O-CB 3.13Å; R787-A791 PolarHBondContact O-N 2.99Å; A788-A791 PolarHBondContact O-N 2.98Å; A791-M793 VanDerWaalsContact C-N 3.25Å; A791-M793 HydrophobicContact CB-CG 4.06Å; A791-M793 PolarHBondContact O-N 3.19Å
792	D	85.1	Confident	89.1	Confident	69 Å²	69	21 Å²	21	37%	0.369	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.2	-174.8	-63.7	-15.3	0	0	0	113.7	T790 S1093 K1095	T790-D792 VanDerWaalsContact C-N 3.29Å; T790-D792 PolarHBondContact O-N 3.36Å; D792-S1093 VanDerWaalsContact C-CB 3.49Å; D792-S1093 WeakPolarHBondContact O-CB 3.35Å; D792-K1095 IonicContact OD2-NZ 2.75Å; D792-K1095 PolarHBondContact OD2-NZ 2.82Å
793	M	88.9	Confident	89.1	Confident	19 Å²	19	25.6 Å²	25.6	9%	0.094	14%	0.142	C	C	.	.			trans	-100.4	145.6	175.7	-63.9	-74.5	-79.3	0	0	110.9	I746 P756 I759 A788 A791	I746-M793 HydrophobicContact CG2-CG 4.11Å; P756-M793 HydrophobicContact CB-CE 4.23Å; P756-M793 HydrophobicContact CG-CE 4.24Å; I759-M793 HydrophobicContact CD1-CB 3.73Å; I759-M793 HydrophobicContact CD1-CE 3.89Å; I759-M793 HydrophobicContact CD1-CG 3.81Å; I759-M793 HydrophobicContact CG1-CB 4.29Å; I759-M793 HydrophobicContact CG1-CE 3.73Å; A788-M793 PolarHBondContact O-N 3.03Å; A791-M793 VanDerWaalsContact C-N 3.25Å; A791-M793 HydrophobicContact CB-CG 4.06Å; A791-M793 PolarHBondContact O-N 3.19Å
794	C	92	Very high	89.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	146.3	165.1	-73.1	0	0	0	0	110.3	W656 N757 T758 I759 L826 R1091 E1096	W656-C794 HydrophobicContact CH2-CB 4.22Å; W656-C794 HydrophobicContact CZ2-CB 4.04Å; W656-C794 WeakPolarHBondContact CZ2-SG 3.4Å; N757-C794 PolarHBondContact O-N 3.15Å; T758-C794 CarbonylContact C-O 3.56Å; T758-C794 WeakPolarHBondContact CA-O 3.5Å; T758-C794 HydrophobicContact CG2-CB 3.94Å; I759-C794 PolarHBondContact N-O 3.12Å; C794-L826 HydrophobicContact CB-CD2 4.45Å; C794-R1091 CarbonylContact C-O 3.44Å; C794-R1091 VanDerWaalsContact CA-O 3.24Å; C794-R1091 WeakPolarHBondContact CA-O 3.27Å; C794-E1096 VanDerWaalsContact SG-CD 3.58Å; C794-E1096 PolarHBondContact SG-OE1 3.08Å
795	L	93.6	Very high	89.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.3	178.3	-88.7	166.5	0	0	0	110.8	I759 I785 A788 A789 L1060 V1090 R1091	I759-L795 HydrophobicContact CB-CD2 4.32Å; I759-L795 HydrophobicContact CG2-CD2 4.43Å; I785-L795 HydrophobicContact CG1-CD2 4.5Å; I785-L795 HydrophobicContact CG2-CD1 4.15Å; A788-L795 HydrophobicContact CB-CD1 4.03Å; A788-L795 HydrophobicContact CB-CD2 3.67Å; A788-L795 HydrophobicContact CB-CG 3.89Å; A789-L795 HydrophobicContact CB-CD1 4.32Å; L795-L1060 HydrophobicContact CB-CD2 4.18Å; L795-L1060 HydrophobicContact CD1-CD2 4.15Å; L795-V1090 WeakPolarHBondContact O-CA 3.28Å; L795-R1091 HydrophobicContact CB-CB 4.4Å; L795-R1091 PolarHBondContact N-O 3Å; L795-R1091 PolarHBondContact O-N 2.65Å
796	L	94.9	Very high	89.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.1	170.6	-62.7	179.9	0	0	0	108.9	L660 L684 T758 I759 M760 V761 L830 L1088 V1090	L660-L796 HydrophobicContact CD2-CD1 3.93Å; L684-L796 HydrophobicContact CD2-CD1 3.81Å; T758-L796 HydrophobicContact CG2-CD1 3.6Å; T758-L796 HydrophobicContact CG2-CG 3.67Å; I759-L796 PolarHBondContact O-N 3.26Å; M760-L796 VanDerWaalsContact CA-O 3.28Å; M760-L796 WeakPolarHBondContact CA-O 3.33Å; M760-L796 HydrophobicContact CB-CB 4.29Å; M760-L796 HydrophobicContact CG-CB 4.04Å; V761-L796 PolarHBondContact N-O 2.94Å; L796-L830 HydrophobicContact CD1-CD2 4.34Å; L796-L830 HydrophobicContact CD2-CD1 3.65Å; L796-L830 HydrophobicContact CD2-CD2 4.2Å; L796-L1088 HydrophobicContact CB-CD1 4.35Å; L796-L1088 HydrophobicContact CD2-CD1 4.5Å; L796-V1090 HydrophobicContact CD2-CB 4.48Å; L796-V1090 HydrophobicContact CD2-CG1 4.23Å; L796-V1090 HydrophobicContact CD2-CG2 3.94Å
797	V	94.4	Very high	89	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	94.9	179	175.1	0	0	0	0	109	W763 F781 I785 L1089	W763-V797 HydrophobicContact CE3-CG1 3.86Å; F781-V797 HydrophobicContact CE2-CG1 3.92Å; F781-V797 HydrophobicContact CZ-CG1 3.77Å; I785-V797 HydrophobicContact CD1-CG2 4.06Å; I785-V797 HydrophobicContact CG1-CG2 4.4Å; V797-L1089 HydrophobicContact CB-CB 4.17Å; V797-L1089 HydrophobicContact CG1-CD1 4.45Å; V797-L1089 PolarHBondContact N-O 3.39Å; V797-L1089 PolarHBondContact O-N 3.34Å
798	P	94.2	Very high	88.7	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.5	172.2	29.9	-33.4	0	0	0	111	M760 W763 L801 F804 V1087 L1088	M760-P798 HydrophobicContact CG-CG 4.4Å; M760-P798 HydrophobicContact SD-CG 4.44Å; W763-P798 PolarHBondContact N-O 2.92Å; P798-L801 HydrophobicContact CB-CD2 3.79Å; P798-L801 HydrophobicContact CB-CG 3.9Å; P798-L801 HydrophobicContact CG-CD1 3.98Å; P798-L801 HydrophobicContact CG-CD2 3.73Å; P798-L801 HydrophobicContact CG-CG 3.84Å; P798-F804 HydrophobicContact CB-CZ 4.21Å; P798-V1087 CarbonylContact C-O 3.6Å; P798-V1087 WeakPolarHBondContact CA-O 3.46Å; P798-L1088 HydrophobicContact CB-CD1 4.19Å
799	K	91.6	Very high	88.6	Confident	22 Å²	22	35.9 Å²	35.9	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.6	168.6	174.7	174.6	174.3	171.4	0	108.5	W763 E1078 T1081 V1087	W763-K799 HydrophobicContact CB-CB 3.98Å; W763-K799 HydrophobicContact CB-CG 4.36Å; W763-K799 HydrophobicContact CD2-CB 4.02Å; W763-K799 HydrophobicContact CD2-CD 3.86Å; W763-K799 HydrophobicContact CD2-CG 4Å; W763-K799 HydrophobicContact CE3-CB 4.22Å; W763-K799 HydrophobicContact CE3-CD 4.27Å; W763-K799 HydrophobicContact CG-CB 3.89Å; W763-K799 HydrophobicContact CG-CD 4.22Å; W763-K799 HydrophobicContact CG-CG 3.85Å; W763-K799 HydrophobicContact CZ2-CD 4.26Å; K799-E1078 IonicContact NZ-OE1 3.82Å; K799-E1078 PolarHBondContact NZ-OE1 2.87Å; K799-E1078 VanDerWaalsContact NZ-OE1 3.1Å; K799-E1078 IonicContact NZ-OE2 3.93Å; K799-E1078 PolarHBondContact NZ-OE2 2.04Å; K799-T1081 WeakPolarHBondContact CD-OG1 3.27Å; K799-T1081 PolarHBondContact NZ-OG1 3.18Å; K799-V1087 HydrophobicContact CB-CB 4.32Å; K799-V1087 PolarHBondContact N-O 2.96Å; K799-V1087 PolarHBondContact O-N 3.46Å
800	G	86.8	Confident	88.7	Confident	6 Å²	6	43.1 Å²	43.1	6%	0.062	23%	0.23	C	C	.	.	S	Bend	trans	81.9	20.9	-172	0	0	0	0	0	114.7	L802 D803 F804 E1085	G800-L802 PolarHBondContact O-N 2.93Å; G800-D803 WeakPolarHBondContact O-CB 3.33Å; G800-D803 PolarHBondContact O-N 2.87Å; G800-F804 VanDerWaalsContact O-CD2 3.28Å; G800-F804 WeakPolarHBondContact O-CD2 3.44Å; G800-E1085 WeakPolarHBondContact CA-O 3.04Å
801	L	86.8	Confident	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-47.7	-34.8	-177.8	-90	174.8	0	0	0	115.3	V673 K676 A677 Y765 P798 D803 F804	V673-L801 HydrophobicContact CG1-CB 4.15Å; V673-L801 HydrophobicContact CG1-CD1 3.6Å; K676-L801 HydrophobicContact CB-CB 4.43Å; K676-L801 WeakPolarHBondContact CB-O 3.5Å; K676-L801 VanDerWaalsContact CG-O 3.3Å; K676-L801 WeakPolarHBondContact CG-O 3.44Å; A677-L801 HydrophobicContact CB-CD1 4.05Å; A677-L801 HydrophobicContact CB-CD2 4.36Å; Y765-L801 PolarHBondContact OH-N 3.45Å; P798-L801 HydrophobicContact CB-CD2 3.79Å; P798-L801 HydrophobicContact CB-CG 3.9Å; P798-L801 HydrophobicContact CG-CD1 3.98Å; P798-L801 HydrophobicContact CG-CD2 3.73Å; P798-L801 HydrophobicContact CG-CG 3.84Å; L801-D803 PolarHBondContact O-N 2.93Å; L801-F804 PolarHBondContact O-N 3.02Å
802	L	86.6	Confident	89	Confident	79 Å²	79	42.8 Å²	42.8	41%	0.414	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62	-31.7	178.5	-67.2	175.7	0	0	0	112.6	K672 V673 K676 G800	K672-L802 HydrophobicContact CB-CD2 4.05Å; V673-L802 HydrophobicContact CG2-CD2 3.83Å; V673-L802 HydrophobicContact CG2-CG 4.23Å; K676-L802 WeakPolarHBondContact CE-O 3.36Å; G800-L802 PolarHBondContact O-N 2.93Å
803	D	87.8	Confident	89.3	Confident	97 Å²	97	41.2 Å²	41.2	52%	0.519	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-88.9	-7	-175.7	-44.9	-72.5	0	0	0	112.1	G800 L801 R1086	G800-D803 WeakPolarHBondContact O-CB 3.33Å; G800-D803 PolarHBondContact O-N 2.87Å; L801-D803 PolarHBondContact O-N 2.93Å; D803-R1086 HydrophobicContact CB-CG 4.16Å; D803-R1086 WeakPolarHBondContact O-CD 3.24Å
804	F	90.7	Very high	89.5	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.018	22%	0.215	C	C	.	.	S	Bend	trans	-66	141	177.2	-84.8	-122	0	0	0	111.2	K676 F680 P798 G800 L801 D806 L1055 R1086	K676-F804 WeakPolarHBondContact CE-O 3.46Å; K676-F804 PolarHBondContact NZ-O 2.9Å; F680-F804 HydrophobicContact CB-CD1 4.4Å; F680-F804 AromaticContact CD2-CD1 3.59Å; F680-F804 HydrophobicContact CD2-CD1 3.59Å; F680-F804 AromaticContact CD2-CE1 3.6Å; F680-F804 HydrophobicContact CD2-CE1 3.6Å; F680-F804 HydrophobicContact CE2-CD1 4.12Å; F680-F804 AromaticContact CE2-CE1 3.67Å; F680-F804 HydrophobicContact CE2-CE1 3.67Å; F680-F804 HydrophobicContact CG-CD1 4.08Å; F680-F804 HydrophobicContact CG-CE1 4.14Å; F680-F804 HydrophobicContact CZ-CE1 4.25Å; P798-F804 HydrophobicContact CB-CZ 4.21Å; G800-F804 VanDerWaalsContact O-CD2 3.28Å; G800-F804 WeakPolarHBondContact O-CD2 3.44Å; L801-F804 PolarHBondContact O-N 3.02Å; F804-D806 PolarHBondContact O-N 3.32Å; F804-L1055 HydrophobicContact CE1-CD1 3.89Å; F804-L1055 HydrophobicContact CZ-CD1 3.68Å; F804-R1086 HydrophobicContact CD2-CB 4.39Å; F804-R1086 HydrophobicContact CD2-CG 3.86Å; F804-R1086 HydrophobicContact CE2-CB 3.94Å; F804-R1086 HydrophobicContact CE2-CG 3.9Å; F804-R1086 HydrophobicContact CZ-CB 4.43Å
805	P	90.3	Very high	89.6	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.091	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63	134.6	-176.2	27.4	-37.6	0	0	0	112	Q683 V811 V839 W840	Q683-P805 PolarHBondContact NE2-O 3.09Å; P805-V811 HydrophobicContact CB-CG2 3.59Å; P805-V811 HydrophobicContact CG-CG2 3.79Å; P805-V839 HydrophobicContact CB-CG1 3.83Å; P805-V839 HydrophobicContact CG-CG1 3.5Å; P805-V839 VanDerWaalsContact CG-CG1 3.5Å; P805-W840 HydrophobicContact CG-CH2 3.95Å; P805-W840 HydrophobicContact CG-CZ2 3.5Å
806	D	86.4	Confident	89.7	Confident	60 Å²	60	41.2 Å²	41.2	32%	0.321	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-61.9	146.9	168.7	-65.7	-75.8	0	0	0	111	K676 Q679 F804 N808 N809	K676-D806 IonicContact NZ-OD1 3.47Å; K676-D806 PolarHBondContact NZ-OD1 3.06Å; K676-D806 IonicContact NZ-OD2 3.94Å; K676-D806 PolarHBondContact NZ-OD2 2.76Å; Q679-D806 PolarHBondContact NE2-OD1 3.37Å; Q679-D806 PolarHBondContact OE1-OD1 2.97Å; Q679-D806 VanDerWaalsContact OE1-OD1 3.07Å; F804-D806 PolarHBondContact O-N 3.32Å; D806-N808 PolarHBondContact O-N 2.89Å; D806-N809 PolarHBondContact O-N 2.95Å
807	S	81.5	Confident	89.6	Confident	19 Å²	19	41.2 Å²	41.2	13%	0.133	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-3.6	-174.8	-60.8	0	0	0	0	115.6	Q683 K838	Q683-S807 PolarHBondContact NE2-OG 2.75Å; S807-K838 WeakPolarHBondContact O-CE 3.49Å; S807-K838 PolarHBondContact O-NZ 2.77Å
808	N	82.2	Confident	89.6	Confident	125 Å²	125	41.1 Å²	41.1	67%	0.668	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-21.1	172.2	-71.4	-22.7	0	0	0	114.3	D806 K838	D806-N808 PolarHBondContact O-N 2.89Å; N808-K838 PolarHBondContact OD1-NZ 3.09Å
809	N	87.5	Confident	89.4	Confident	91 Å²	91	41.4 Å²	41.4	49%	0.487	22%	0.217	S	C	.	.			trans	-82.6	135.3	-177.4	-60.9	-6.2	0	0	0	109.1	D806 V839	D806-N809 PolarHBondContact O-N 2.95Å; N809-V839 WeakPolarHBondContact O-CG2 3.34Å
810	R	87.9	Confident	89.1	Confident	156 Å²	156	40.4 Å²	40.4	59%	0.589	21%	0.212	S	C	*	.			trans	-95.1	141	172.6	-58.7	-164.9	-167.5	164	6.2	109.6
811	V	89.1	Confident	88.7	Confident	14 Å²	14	40.1 Å²	40.1	9%	0.085	21%	0.209	C	C	.	.			trans	-110.7	138.8	-178.8	-177.9	0	0	0	0	109.5	P805 V839 W840 C843 Q1054	P805-V811 HydrophobicContact CB-CG2 3.59Å; P805-V811 HydrophobicContact CG-CG2 3.79Å; V811-V839 HydrophobicContact CG2-CG1 4.01Å; V811-V839 PolarHBondContact N-O 3.2Å; V811-W840 HydrophobicContact CG1-CZ3 4.31Å; V811-C843 PolarHBondContact O-SG 2.92Å; V811-Q1054 HydrophobicContact CG1-CB 3.63Å; V811-Q1054 HydrophobicContact CG1-CG 3.62Å
812	H	90.1	Very high	88.4	Confident	121 Å²	121	41 Å²	41	56%	0.56	21%	0.213	S	C	*	.			trans	-120.9	142.2	175.3	-67.9	-93.7	0	0	0	108.5	Q842 Q1054	H812-Q842 PolarHBondContact CE1-NE2 3.05Å; H812-Q842 VanDerWaalsContact CE1-NE2 3.28Å; H812-Q1054 WeakPolarHBondContact O-CG 3.41Å
813	G	90.9	Very high	88.1	Confident	35 Å²	35	38.2 Å²	38.2	36%	0.361	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	137.3	-141.9	-177.3	0	0	0	0	0	111.1	C843 K844	G813-C843 CarbonylContact O-C 3.54Å; G813-C843 VanDerWaalsContact O-CA 3.24Å; G813-C843 WeakPolarHBondContact O-CA 3.21Å; G813-K844 PolarHBondContact O-N 3.21Å
814	T	93.3	Very high	87.7	Confident	17 Å²	17	33.6 Å²	33.6	10%	0.104	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.5	-178.8	47.5	0	0	0	0	112.2	D816 K844 R846 S1053 Q1054	T814-D816 VanDerWaalsContact CB-OD1 3.32Å; T814-D816 WeakPolarHBondContact CB-OD1 3.38Å; T814-D816 PolarHBondContact OG1-OD1 3.16Å; T814-K844 CarbonylContact C-O 3.23Å; T814-K844 VanDerWaalsContact CA-O 3.26Å; T814-K844 WeakPolarHBondContact CA-O 3.34Å; T814-K844 HydrophobicContact CG2-CB 4.46Å; T814-R846 HydrophobicContact CG2-CG 4.02Å; T814-R846 PolarHBondContact OG1-NH2 3.43Å; T814-S1053 PolarHBondContact O-OG 3.19Å; T814-S1053 WeakPolarHBondContact OG1-CA 3.49Å; T814-Q1054 WeakPolarHBondContact O-CB 3.34Å; T814-Q1054 PolarHBondContact O-N 2.7Å
815	I	94.7	Very high	87.3	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.5	161.9	-61.6	170.8	0	0	0	105.9	P831 W840 C843 K844 L845 R846 L1055 I1057	I815-P831 HydrophobicContact CG2-CB 4.02Å; I815-W840 HydrophobicContact CD1-CB 4.19Å; I815-W840 HydrophobicContact CD1-CD2 4.35Å; I815-W840 HydrophobicContact CD1-CE3 3.85Å; I815-W840 HydrophobicContact CG1-CE3 4.07Å; I815-W840 HydrophobicContact CG1-CZ3 4.43Å; I815-C843 HydrophobicContact CD1-CB 4.05Å; I815-C843 HydrophobicContact CG1-CB 3.89Å; I815-K844 PolarHBondContact N-O 2.97Å; I815-L845 HydrophobicContact CB-CD1 4.19Å; I815-L845 HydrophobicContact CG2-CD1 4.12Å; I815-R846 PolarHBondContact O-N 3.21Å; I815-L1055 WeakPolarHBondContact CA-O 3.39Å; I815-L1055 HydrophobicContact CG1-CB 4.42Å; I815-L1055 HydrophobicContact CG2-CB 4.34Å; I815-L1055 HydrophobicContact CG2-CD2 4.42Å; I815-I1057 HydrophobicContact CG2-CD1 4.07Å; I815-I1057 HydrophobicContact CG2-CG1 4.37Å
816	D	95.2	Very high	87.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.5	-170.9	-71.2	24.1	0	0	0	110.6	T814 R846 F848 S1050 S1053 L1055 I1056 I1057	T814-D816 VanDerWaalsContact CB-OD1 3.32Å; T814-D816 WeakPolarHBondContact CB-OD1 3.38Å; T814-D816 PolarHBondContact OG1-OD1 3.16Å; D816-R846 WeakPolarHBondContact CA-O 3.2Å; D816-R846 VanDerWaalsContact CG-NH2 3.28Å; D816-R846 IonicContact OD1-CZ 2.69Å; D816-R846 IonicContact OD1-NE 2.8Å; D816-R846 PolarHBondContact OD1-NE 2.95Å; D816-R846 IonicContact OD1-NH2 3.07Å; D816-R846 PolarHBondContact OD1-NH2 3.3Å; D816-R846 IonicContact OD2-CZ 2.88Å; D816-R846 IonicContact OD2-NE 2.73Å; D816-R846 PolarHBondContact OD2-NE 3.46Å; D816-R846 IonicContact OD2-NH2 2.63Å; D816-R846 PolarHBondContact OD2-NH2 3.36Å; D816-F848 HydrophobicContact CB-CD2 4.38Å; D816-F848 HydrophobicContact CB-CE2 4.13Å; D816-F848 WeakPolarHBondContact OD2-CE2 3.44Å; D816-S1050 WeakPolarHBondContact OD2-CA 3.45Å; D816-S1050 WeakPolarHBondContact OD2-CB 3.47Å; D816-S1050 PolarHBondContact OD2-OG 2.87Å; D816-S1053 WeakPolarHBondContact CB-OG 3.43Å; D816-S1053 VanDerWaalsContact CG-CB 3.45Å; D816-S1053 PolarHBondContact N-OG 2.84Å; D816-S1053 WeakPolarHBondContact OD1-CB 3.03Å; D816-S1053 PolarHBondContact OD1-OG 3.25Å; D816-L1055 PolarHBondContact N-O 3.17Å; D816-I1056 CarbonylContact O-C 3.42Å; D816-I1056 WeakPolarHBondContact O-CA 3.2Å; D816-I1057 PolarHBondContact O-N 2.84Å
817	V	94.4	Very high	87.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.3	-178.6	-176.5	0	0	0	0	109.4	W819 L827 L828 P831 L845 R846 V847 F848 I1057	V817-W819 PolarHBondContact O-N 2.88Å; V817-L827 HydrophobicContact CG1-CB 3.86Å; V817-L827 HydrophobicContact CG1-CD2 4.21Å; V817-L827 HydrophobicContact CG1-CG 4.49Å; V817-L828 HydrophobicContact CG1-CD2 4.49Å; V817-P831 HydrophobicContact CG2-CB 4.3Å; V817-P831 HydrophobicContact CG2-CG 3.76Å; V817-L845 HydrophobicContact CG2-CD1 3.59Å; V817-R846 PolarHBondContact N-O 3Å; V817-V847 HydrophobicContact CB-CG2 4.36Å; V817-V847 CarbonylContact O-C 3.55Å; V817-F848 PolarHBondContact O-N 3.44Å; V817-I1057 WeakPolarHBondContact CA-O 3.49Å
818	W	93.8	Very high	87.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	92.7	175.2	-76.4	83.2	0	0	0	110.3	I820 F848 V850 V880 F882 I1046 K1049 S1050 I1057 L1058	W818-I820 PolarHBondContact O-N 2.95Å; W818-F848 CarbonylContact C-O 3.57Å; W818-F848 WeakPolarHBondContact CA-O 3.33Å; W818-F848 HydrophobicContact CD2-CB 3.78Å; W818-F848 HydrophobicContact CD2-CD2 4.28Å; W818-F848 HydrophobicContact CD2-CG 4.33Å; W818-F848 AromaticContact CE2-CD2 3.67Å; W818-F848 AromaticContact CE2-CG 3.96Å; W818-F848 HydrophobicContact CE3-CB 3.89Å; W818-F848 HydrophobicContact CG-CB 4.29Å; W818-F848 HydrophobicContact CH2-CB 4.37Å; W818-F848 HydrophobicContact CH2-CG 4.46Å; W818-F848 HydrophobicContact CZ2-CB 4.24Å; W818-F848 AromaticContact CZ2-CD2 3.98Å; W818-F848 HydrophobicContact CZ2-CD2 3.98Å; W818-F848 HydrophobicContact CZ2-CG 4.04Å; W818-F848 HydrophobicContact CZ3-CB 4.19Å; W818-F848 AromaticContact NE1-CD2 3.56Å; W818-V850 HydrophobicContact CE3-CG2 4.47Å; W818-V880 HydrophobicContact CH2-CG2 4.34Å; W818-V880 HydrophobicContact CZ3-CG2 4.17Å; W818-F882 HydrophobicContact CZ3-CE2 4.41Å; W818-I1046 HydrophobicContact CD2-CG1 3.8Å; W818-I1046 HydrophobicContact CE3-CG1 4.08Å; W818-I1046 HydrophobicContact CG-CG1 4.31Å; W818-I1046 HydrophobicContact CH2-CG1 4.17Å; W818-I1046 HydrophobicContact CZ2-CB 4.28Å; W818-I1046 HydrophobicContact CZ2-CG1 3.93Å; W818-I1046 HydrophobicContact CZ3-CG1 4.25Å; W818-K1049 HydrophobicContact CH2-CD 4.35Å; W818-K1049 HydrophobicContact CZ2-CB 4.16Å; W818-S1050 PolarHBondContact NE1-OG 3.07Å; W818-I1057 PolarHBondContact N-O 3.16Å; W818-L1058 HydrophobicContact CB-CB 3.91Å
819	W	90.6	Very high	88	Confident	7 Å²	7	23.6 Å²	23.6	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	94.4	176.7	-179.4	8.7	0	0	0	110.8	V817 I821 H822 G824 L827 F848 T849 V850 L864 P919 A923	V817-W819 PolarHBondContact O-N 2.88Å; W819-I821 PolarHBondContact NE1-O 2.65Å; W819-I821 PolarHBondContact O-N 3.13Å; W819-H822 PolarHBondContact NE1-O 3.15Å; W819-H822 VanDerWaalsContact NE1-O 3.14Å; W819-G824 VanDerWaalsContact CE2-CA 3.46Å; W819-L827 HydrophobicContact CB-CD1 3.72Å; W819-L827 HydrophobicContact CG-CD1 3.81Å; W819-F848 PolarHBondContact N-O 3.46Å; W819-T849 HydrophobicContact CB-CG2 4.19Å; W819-T849 HydrophobicContact CD2-CG2 4.22Å; W819-T849 HydrophobicContact CE3-CG2 3.58Å; W819-T849 HydrophobicContact CZ3-CG2 4.29Å; W819-V850 PolarHBondContact O-N 3.38Å; W819-L864 HydrophobicContact CH2-CD2 4.07Å; W819-L864 HydrophobicContact CZ3-CD1 4.37Å; W819-L864 HydrophobicContact CZ3-CD2 3.62Å; W819-P919 HydrophobicContact CH2-CB 3.85Å; W819-P919 HydrophobicContact CZ3-CB 4.24Å; W819-A923 HydrophobicContact CH2-CB 3.8Å; W819-A923 HydrophobicContact CZ2-CB 3.78Å
820	I	84.9	Confident	88.2	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.			trans	-95.2	89.7	178.7	-46	174.4	0	0	0	109.2	W818 H822 V850 Y890 L1042 N1059	W818-I820 PolarHBondContact O-N 2.95Å; I820-H822 PolarHBondContact O-N 2.89Å; I820-V850 HydrophobicContact CG1-CG2 4.1Å; I820-V850 HydrophobicContact CG2-CB 4.47Å; I820-V850 HydrophobicContact CG2-CG2 4.5Å; I820-Y890 HydrophobicContact CB-CD1 4.25Å; I820-Y890 HydrophobicContact CB-CE1 4.26Å; I820-Y890 HydrophobicContact CB-CG 4.41Å; I820-Y890 HydrophobicContact CD1-CE1 4.41Å; I820-Y890 HydrophobicContact CD1-CE2 4.09Å; I820-Y890 HydrophobicContact CG2-CD1 3.93Å; I820-Y890 HydrophobicContact CG2-CD2 3.59Å; I820-Y890 HydrophobicContact CG2-CE1 4.23Å; I820-Y890 HydrophobicContact CG2-CE2 3.91Å; I820-Y890 HydrophobicContact CG2-CG 3.6Å; I820-L1042 HydrophobicContact CD1-CD1 4.34Å; I820-L1042 HydrophobicContact CD1-CD2 3.84Å; I820-N1059 HydrophobicContact CB-CB 4.35Å; I820-N1059 PolarHBondContact N-ND2 3.08Å; I820-N1059 PolarHBondContact O-ND2 3.5Å
821	I	78.2	Confident	88.4	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	66.7	-53.7	175.7	-50.9	-178.8	0	0	0	115.7	W819 I887 T891 R894 Q920 R927	W819-I821 PolarHBondContact NE1-O 2.65Å; W819-I821 PolarHBondContact O-N 3.13Å; I821-I887 HydrophobicContact CD1-CD1 4.18Å; I821-T891 HydrophobicContact CD1-CG2 3.47Å; I821-T891 VanDerWaalsContact CD1-CG2 3.47Å; I821-R894 HydrophobicContact CG2-CG 4.39Å; I821-Q920 PolarHBondContact O-NE2 3.5Å; I821-R927 PolarHBondContact O-NH1 2.98Å
822	H	80.4	Confident	88.4	Confident	19 Å²	19	13.1 Å²	13.1	9%	0.088	7%	0.073	C	C	.	.	S	Bend	trans	-108.4	171.1	-166.9	-60.9	-57.6	0	0	0	113.3	W819 I820 G824 Y890 N1059	W819-H822 PolarHBondContact NE1-O 3.15Å; W819-H822 VanDerWaalsContact NE1-O 3.14Å; I820-H822 PolarHBondContact O-N 2.89Å; H822-G824 PolarHBondContact O-N 2.89Å; H822-Y890 PolarHBondContact NE2-O 2.98Å; H822-N1059 PolarHBondContact O-ND2 3.42Å
823	D	80.9	Confident	88.4	Confident	19 Å²	19	8.4 Å²	8.4	10%	0.102	5%	0.052	C	C	.	.			trans	59.2	20.9	163.7	-53.4	-11.6	0	0	0	115.1	G825 L826 L827 R901 Q920 G1092	D823-G825 PolarHBondContact O-N 3.25Å; D823-G825 VanDerWaalsContact O-N 3.1Å; D823-L826 PolarHBondContact O-N 3.45Å; D823-L827 PolarHBondContact O-N 3.43Å; D823-R901 IonicContact OD1-CZ 3.56Å; D823-R901 IonicContact OD1-NH1 2.72Å; D823-R901 IonicContact OD1-NH2 2.61Å; D823-R901 PolarHBondContact OD1-NH2 3.11Å; D823-Q920 VanDerWaalsContact N-OE1 3.07Å; D823-G1092 PolarHBondContact OD2-N 2.88Å
824	G	78.7	Confident	88.4	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-53.4	-37.2	-175.1	0	0	0	0	0	113.7	W819 H822 L828	W819-G824 VanDerWaalsContact CE2-CA 3.46Å; H822-G824 PolarHBondContact O-N 2.89Å; G824-L828 WeakPolarHBondContact O-CB 3.4Å; G824-L828 WeakPolarHBondContact O-CD1 3.17Å; G824-L828 VanDerWaalsContact O-CG 3.25Å; G824-L828 WeakPolarHBondContact O-CG 3.35Å; G824-L828 PolarHBondContact O-N 3.14Å; G824-L828 VanDerWaalsContact O-N 3.12Å
825	G	82.8	Confident	88.2	Confident	6 Å²	6	9.7 Å²	9.7	6%	0.062	5%	0.048	C	C	.	.	H	α-helix	trans	-61.9	-46.1	178.1	0	0	0	0	0	112.9	D823 L829 I1098 Y1101	D823-G825 PolarHBondContact O-N 3.25Å; D823-G825 VanDerWaalsContact O-N 3.1Å; G825-L829 WeakPolarHBondContact O-CB 3.23Å; G825-L829 PolarHBondContact O-N 3.39Å; G825-I1098 VanDerWaalsContact C-CD1 3.46Å; G825-I1098 WeakPolarHBondContact O-CD1 3.27Å; G825-Y1101 VanDerWaalsContact CA-OH 3.31Å; G825-Y1101 WeakPolarHBondContact CA-OH 3.27Å; G825-Y1101 PolarHBondContact O-OH 3.21Å; G825-Y1101 VanDerWaalsContact O-OH 3.11Å
826	L	87.1	Confident	87.8	Confident	3 Å²	3	13.1 Å²	13.1	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-70.2	-45	178.9	178.6	61.2	0	0	0	111.3	W656 C794 D823 L828 L829 L830 V1090	W656-L826 HydrophobicContact CE3-CD1 4.31Å; W656-L826 HydrophobicContact CH2-CD1 3.72Å; W656-L826 HydrophobicContact CZ3-CD1 3.4Å; W656-L826 VanDerWaalsContact CZ3-CD1 3.4Å; C794-L826 HydrophobicContact CB-CD2 4.45Å; D823-L826 PolarHBondContact O-N 3.45Å; L826-L828 PolarHBondContact O-N 3.13Å; L826-L829 PolarHBondContact O-N 2.8Å; L826-L830 HydrophobicContact CD1-CD1 4.06Å; L826-L830 HydrophobicContact CD1-CD2 4.37Å; L826-L830 HydrophobicContact CD1-CG 4.06Å; L826-L830 HydrophobicContact CG-CD1 4.05Å; L826-L830 HydrophobicContact CG-CG 4.49Å; L826-L830 WeakPolarHBondContact O-CG 3.3Å; L826-L830 PolarHBondContact O-N 2.89Å; L826-L830 VanDerWaalsContact O-N 3.1Å; L826-V1090 HydrophobicContact CD2-CG1 3.61Å; L826-V1090 HydrophobicContact CG-CG1 3.8Å
827	L	90.1	Very high	87.6	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-54.4	-33	175.9	-82.1	171.7	0	0	0	113.6	V817 W819 D823 P831 I1057 N1059 V1090	V817-L827 HydrophobicContact CG1-CB 3.86Å; V817-L827 HydrophobicContact CG1-CD2 4.21Å; V817-L827 HydrophobicContact CG1-CG 4.49Å; W819-L827 HydrophobicContact CB-CD1 3.72Å; W819-L827 HydrophobicContact CG-CD1 3.81Å; D823-L827 PolarHBondContact O-N 3.43Å; L827-P831 WeakPolarHBondContact O-CD 3.3Å; L827-P831 VanDerWaalsContact O-CG 3.25Å; L827-P831 WeakPolarHBondContact O-CG 3.4Å; L827-I1057 HydrophobicContact CD2-CG2 3.9Å; L827-N1059 VanDerWaalsContact CD1-OD1 3.24Å; L827-N1059 WeakPolarHBondContact CD1-OD1 3.23Å; L827-N1059 WeakPolarHBondContact CD2-OD1 3.31Å; L827-N1059 WeakPolarHBondContact CG-OD1 3.14Å; L827-V1090 HydrophobicContact CD2-CB 4.34Å
828	L	88.4	Confident	87.4	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-92.3	-29.1	-179.9	-66.5	165.6	0	0	0	112.6	V817 G824 L826 P831 F832 V847 W867 P919 Y1101	V817-L828 HydrophobicContact CG1-CD2 4.49Å; G824-L828 WeakPolarHBondContact O-CB 3.4Å; G824-L828 WeakPolarHBondContact O-CD1 3.17Å; G824-L828 VanDerWaalsContact O-CG 3.25Å; G824-L828 WeakPolarHBondContact O-CG 3.35Å; G824-L828 PolarHBondContact O-N 3.14Å; G824-L828 VanDerWaalsContact O-N 3.12Å; L826-L828 PolarHBondContact O-N 3.13Å; L828-P831 WeakPolarHBondContact O-CD 3.39Å; L828-P831 WeakPolarHBondContact O-CG 3.44Å; L828-F832 VanDerWaalsContact O-CB 3.27Å; L828-F832 WeakPolarHBondContact O-CB 3.39Å; L828-F832 PolarHBondContact O-N 2.76Å; L828-V847 HydrophobicContact CD2-CG1 4.01Å; L828-V847 HydrophobicContact CD2-CG2 3.61Å; L828-W867 HydrophobicContact CD1-CH2 3.58Å; L828-W867 HydrophobicContact CD1-CZ3 3.54Å; L828-P919 HydrophobicContact CD1-CB 4.47Å; L828-P919 HydrophobicContact CD1-CG 4.44Å; L828-Y1101 HydrophobicContact CB-CE1 4.25Å
829	L	89.2	Confident	87.4	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-68.2	-40.8	176.3	-179.7	62.6	0	0	0	112.1	W656 G825 L826 F832 L833 I1098 Y1101	W656-L829 HydrophobicContact CE3-CD2 4.19Å; W656-L829 HydrophobicContact CZ3-CD2 4.36Å; G825-L829 WeakPolarHBondContact O-CB 3.23Å; G825-L829 PolarHBondContact O-N 3.39Å; L826-L829 PolarHBondContact O-N 2.8Å; L829-F832 PolarHBondContact O-N 2.95Å; L829-L833 HydrophobicContact CD1-CD1 4.11Å; L829-L833 HydrophobicContact CD1-CG 4.11Å; L829-L833 HydrophobicContact CG-CD1 3.93Å; L829-L833 HydrophobicContact CG-CG 4.36Å; L829-L833 WeakPolarHBondContact O-CB 3.33Å; L829-L833 VanDerWaalsContact O-CG 3.26Å; L829-L833 WeakPolarHBondContact O-CG 3.4Å; L829-L833 PolarHBondContact O-N 3.47Å; L829-I1098 HydrophobicContact CB-CD1 4.22Å; L829-I1098 HydrophobicContact CD2-CD1 3.79Å; L829-I1098 HydrophobicContact CD2-CG1 4.39Å; L829-Y1101 HydrophobicContact CB-CD1 4.45Å; L829-Y1101 HydrophobicContact CB-CE1 3.96Å; L829-Y1101 HydrophobicContact CD1-CD1 4.11Å; L829-Y1101 HydrophobicContact CD1-CE1 4.39Å
830	L	91.7	Very high	87.5	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-52.1	-179.3	-66	166.9	0	0	0	114.3	L684 L796 L826 L833 L834 L1088 V1090	L684-L830 HydrophobicContact CD1-CD2 3.86Å; L684-L830 HydrophobicContact CD2-CD2 4.13Å; L796-L830 HydrophobicContact CD1-CD2 4.34Å; L796-L830 HydrophobicContact CD2-CD1 3.65Å; L796-L830 HydrophobicContact CD2-CD2 4.2Å; L826-L830 HydrophobicContact CD1-CD1 4.06Å; L826-L830 HydrophobicContact CD1-CD2 4.37Å; L826-L830 HydrophobicContact CD1-CG 4.06Å; L826-L830 HydrophobicContact CG-CD1 4.05Å; L826-L830 HydrophobicContact CG-CG 4.49Å; L826-L830 WeakPolarHBondContact O-CG 3.3Å; L826-L830 PolarHBondContact O-N 2.89Å; L826-L830 VanDerWaalsContact O-N 3.1Å; L830-L833 PolarHBondContact O-N 2.96Å; L830-L834 WeakPolarHBondContact O-CG 3.43Å; L830-L834 PolarHBondContact O-N 3.25Å; L830-L1088 HydrophobicContact CD1-CD2 4.48Å; L830-V1090 HydrophobicContact CD1-CB 4.28Å; L830-V1090 HydrophobicContact CD1-CG1 3.6Å; L830-V1090 HydrophobicContact CD1-CG2 3.6Å
831	P	91.8	Very high	87.7	Confident	1 Å²	1	25 Å²	25	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-68.2	-34.1	176.7	27.4	-35.3	0	0	0	112.2	I815 V817 L827 L828 L834 H835 L845 I1057	I815-P831 HydrophobicContact CG2-CB 4.02Å; V817-P831 HydrophobicContact CG2-CB 4.3Å; V817-P831 HydrophobicContact CG2-CG 3.76Å; L827-P831 WeakPolarHBondContact O-CD 3.3Å; L827-P831 VanDerWaalsContact O-CG 3.25Å; L827-P831 WeakPolarHBondContact O-CG 3.4Å; L828-P831 WeakPolarHBondContact O-CD 3.39Å; L828-P831 WeakPolarHBondContact O-CG 3.44Å; P831-L834 PolarHBondContact O-N 3.2Å; P831-H835 WeakPolarHBondContact O-CB 3.23Å; P831-H835 PolarHBondContact O-N 3.23Å; P831-L845 HydrophobicContact CB-CD1 3.69Å; P831-L845 HydrophobicContact CB-CD2 4.27Å; P831-L845 HydrophobicContact CG-CD1 4Å; P831-L845 HydrophobicContact CG-CD2 4.21Å; P831-I1057 HydrophobicContact CB-CD1 3.84Å; P831-I1057 HydrophobicContact CG-CD1 4.12Å
832	F	89.1	Confident	88.3	Confident	39 Å²	39	28.5 Å²	28.5	17%	0.171	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-45.6	173.2	174.6	-93.5	0	0	0	111.4	L828 L829 H835 Q836 I873	L828-F832 VanDerWaalsContact O-CB 3.27Å; L828-F832 WeakPolarHBondContact O-CB 3.39Å; L828-F832 PolarHBondContact O-N 2.76Å; L829-F832 PolarHBondContact O-N 2.95Å; F832-H835 PolarHBondContact O-N 2.96Å; F832-Q836 PolarHBondContact O-N 3.16Å; F832-I873 HydrophobicContact CD2-CD1 4.45Å; F832-I873 HydrophobicContact CD2-CG1 3.99Å; F832-I873 HydrophobicContact CE2-CG1 4.33Å
833	L	90.2	Very high	88.9	Confident	23 Å²	23	27.7 Å²	27.7	12%	0.12	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-42.8	174.4	-71.3	172.3	0	0	0	112.3	P658 L684 L829 L830 H835 Q836	P658-L833 HydrophobicContact CG-CD1 3.99Å; L684-L833 HydrophobicContact CD1-CB 4.23Å; L829-L833 HydrophobicContact CD1-CD1 4.11Å; L829-L833 HydrophobicContact CD1-CG 4.11Å; L829-L833 HydrophobicContact CG-CD1 3.93Å; L829-L833 HydrophobicContact CG-CG 4.36Å; L829-L833 WeakPolarHBondContact O-CB 3.33Å; L829-L833 VanDerWaalsContact O-CG 3.26Å; L829-L833 WeakPolarHBondContact O-CG 3.4Å; L829-L833 PolarHBondContact O-N 3.47Å; L830-L833 PolarHBondContact O-N 2.96Å; L833-H835 PolarHBondContact O-N 2.91Å; L833-Q836 WeakPolarHBondContact O-CB 3.25Å; L833-Q836 PolarHBondContact O-N 3.41Å
834	L	91.2	Very high	89.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-42.2	176.1	-76.9	164.7	0	0	0	112.3	F680 Q683 L684 L830 P831 Q836 H837 W840 L1055	F680-L834 HydrophobicContact CD2-CD2 4.39Å; F680-L834 HydrophobicContact CE2-CD1 4.08Å; F680-L834 HydrophobicContact CE2-CD2 3.75Å; F680-L834 HydrophobicContact CZ-CD1 4.32Å; F680-L834 HydrophobicContact CZ-CD2 4.43Å; Q683-L834 HydrophobicContact CB-CD2 4.18Å; L684-L834 HydrophobicContact CB-CD2 4.01Å; L684-L834 HydrophobicContact CD1-CD1 4.44Å; L684-L834 HydrophobicContact CD1-CD2 4.29Å; L684-L834 HydrophobicContact CD1-CG 3.9Å; L830-L834 WeakPolarHBondContact O-CG 3.43Å; L830-L834 PolarHBondContact O-N 3.25Å; P831-L834 PolarHBondContact O-N 3.2Å; L834-Q836 PolarHBondContact O-N 3.31Å; L834-H837 VanDerWaalsContact O-CB 3.32Å; L834-H837 WeakPolarHBondContact O-CB 3.49Å; L834-H837 PolarHBondContact O-N 3.28Å; L834-W840 HydrophobicContact CB-CG 4.34Å; L834-W840 WeakPolarHBondContact O-CB 3.45Å; L834-L1055 HydrophobicContact CD1-CD2 3.74Å
835	H	89.4	Confident	90.1	Very high	79 Å²	79	35.2 Å²	35.2	37%	0.366	16%	0.157	S	C	.	.	H	α-helix	trans	-64	-25	-179.9	-172	95.8	0	0	0	112.8	P831 F832 L833 H837 W840 R841 C843	P831-H835 WeakPolarHBondContact O-CB 3.23Å; P831-H835 PolarHBondContact O-N 3.23Å; F832-H835 PolarHBondContact O-N 2.96Å; L833-H835 PolarHBondContact O-N 2.91Å; H835-H837 PolarHBondContact O-N 2.91Å; H835-W840 PolarHBondContact ND1-O 2.96Å; H835-R841 WeakPolarHBondContact O-CA 3.18Å; H835-R841 WeakPolarHBondContact O-CB 3.48Å; H835-R841 WeakPolarHBondContact O-CG 3.35Å; H835-C843 PolarHBondContact CE1-O 3.35Å; H835-C843 VanDerWaalsContact CE1-O 3.25Å; H835-C843 PolarHBondContact ND1-O 3.23Å
836	Q	86.5	Confident	90.6	Very high	74 Å²	74	37 Å²	37	35%	0.346	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.4	170.1	-59.5	-169.6	8.9	0	0	112.5	F832 L833 L834 S1102	F832-Q836 PolarHBondContact O-N 3.16Å; L833-Q836 WeakPolarHBondContact O-CB 3.25Å; L833-Q836 PolarHBondContact O-N 3.41Å; L834-Q836 PolarHBondContact O-N 3.31Å; Q836-S1102 PolarHBondContact NE2-OXT 3.18Å
837	H	90.1	Very high	90.8	Very high	14 Å²	14	37 Å²	37	7%	0.065	16%	0.162	C	C	.	.	S	Bend	trans	-84.2	141.9	-179.2	-171	-105.8	0	0	0	113	H682 Q683 L834 H835 V839 W840 R841	H682-H837 AromaticContact CD2-NE2 3.87Å; H682-H837 AromaticContact NE2-NE2 3.84Å; Q683-H837 WeakPolarHBondContact O-CB 3.12Å; L834-H837 VanDerWaalsContact O-CB 3.32Å; L834-H837 WeakPolarHBondContact O-CB 3.49Å; L834-H837 PolarHBondContact O-N 3.28Å; H835-H837 PolarHBondContact O-N 2.91Å; H837-V839 VanDerWaalsContact CE1-CG2 3.41Å; H837-V839 WeakPolarHBondContact CE1-CG2 3.43Å; H837-V839 WeakPolarHBondContact ND1-CG2 3.28Å; H837-V839 PolarHBondContact ND1-N 2.82Å; H837-V839 PolarHBondContact O-N 3.22Å; H837-W840 PolarHBondContact O-N 3.15Å; H837-R841 PolarHBondContact O-N 2.87Å; H837-R841 VanDerWaalsContact O-N 3.13Å
838	K	90.8	Very high	91	Very high	96 Å²	96	37.4 Å²	37.4	42%	0.417	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.4	-175.2	58.2	162.1	178.2	152	0	116.4	S807 N808	S807-K838 WeakPolarHBondContact O-CE 3.49Å; S807-K838 PolarHBondContact O-NZ 2.77Å; N808-K838 PolarHBondContact OD1-NZ 3.09Å
839	V	92.3	Very high	91	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-46.8	176.8	171.6	0	0	0	0	111	Q683 P805 N809 V811 H837	Q683-V839 HydrophobicContact CG-CG2 4.37Å; P805-V839 HydrophobicContact CB-CG1 3.83Å; P805-V839 HydrophobicContact CG-CG1 3.5Å; P805-V839 VanDerWaalsContact CG-CG1 3.5Å; N809-V839 WeakPolarHBondContact O-CG2 3.34Å; V811-V839 HydrophobicContact CG2-CG1 4.01Å; V811-V839 PolarHBondContact N-O 3.2Å; H837-V839 VanDerWaalsContact CE1-CG2 3.41Å; H837-V839 WeakPolarHBondContact CE1-CG2 3.43Å; H837-V839 WeakPolarHBondContact ND1-CG2 3.28Å; H837-V839 PolarHBondContact ND1-N 2.82Å; H837-V839 PolarHBondContact O-N 3.22Å
840	W	93.1	Very high	90.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.8	-167.9	-58.9	102.1	0	0	0	113.9	P805 V811 I815 L834 H835 H837 Q842 C843 Q1054 L1055	P805-W840 HydrophobicContact CG-CH2 3.95Å; P805-W840 HydrophobicContact CG-CZ2 3.5Å; V811-W840 HydrophobicContact CG1-CZ3 4.31Å; I815-W840 HydrophobicContact CD1-CB 4.19Å; I815-W840 HydrophobicContact CD1-CD2 4.35Å; I815-W840 HydrophobicContact CD1-CE3 3.85Å; I815-W840 HydrophobicContact CG1-CE3 4.07Å; I815-W840 HydrophobicContact CG1-CZ3 4.43Å; L834-W840 HydrophobicContact CB-CG 4.34Å; L834-W840 WeakPolarHBondContact O-CB 3.45Å; H835-W840 PolarHBondContact ND1-O 2.96Å; H837-W840 PolarHBondContact O-N 3.15Å; W840-Q842 PolarHBondContact O-N 3.33Å; W840-C843 WeakPolarHBondContact O-CB 3.4Å; W840-C843 PolarHBondContact O-N 3.27Å; W840-Q1054 HydrophobicContact CZ3-CB 4.15Å; W840-L1055 HydrophobicContact CH2-CB 3.82Å; W840-L1055 HydrophobicContact CH2-CD2 4.24Å; W840-L1055 HydrophobicContact CZ2-CD2 4.43Å; W840-L1055 HydrophobicContact CZ3-CB 3.76Å; W840-L1055 HydrophobicContact CZ3-CD2 4.49Å
841	R	90.4	Very high	90.5	Very high	145 Å²	145	37.6 Å²	37.6	55%	0.547	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-2.7	178.5	-157.2	-169.5	68.4	175	2.7	115.7	H835 H837	H835-R841 WeakPolarHBondContact O-CA 3.18Å; H835-R841 WeakPolarHBondContact O-CB 3.48Å; H835-R841 WeakPolarHBondContact O-CG 3.35Å; H837-R841 PolarHBondContact O-N 2.87Å; H837-R841 VanDerWaalsContact O-N 3.13Å
842	Q	90.5	Very high	90	Very high	76 Å²	76	38.3 Å²	38.3	36%	0.355	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	9.5	176.3	-57.1	-169.6	-113.9	0	0	112.3	H812 W840	H812-Q842 PolarHBondContact CE1-NE2 3.05Å; H812-Q842 VanDerWaalsContact CE1-NE2 3.28Å; W840-Q842 PolarHBondContact O-N 3.33Å
843	C	92.2	Very high	89.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.2	170.3	-61	0	0	0	0	110.8	V811 G813 I815 H835 W840	V811-C843 PolarHBondContact O-SG 2.92Å; G813-C843 CarbonylContact O-C 3.54Å; G813-C843 VanDerWaalsContact O-CA 3.24Å; G813-C843 WeakPolarHBondContact O-CA 3.21Å; I815-C843 HydrophobicContact CD1-CB 4.05Å; I815-C843 HydrophobicContact CG1-CB 3.89Å; H835-C843 PolarHBondContact CE1-O 3.35Å; H835-C843 VanDerWaalsContact CE1-O 3.25Å; H835-C843 PolarHBondContact ND1-O 3.23Å; W840-C843 WeakPolarHBondContact O-CB 3.4Å; W840-C843 PolarHBondContact O-N 3.27Å
844	K	92.4	Very high	89.1	Confident	162 Å²	162	45.8 Å²	45.8	70%	0.704	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.7	173.3	-64.6	-175.9	176.4	-173.8	0	110.9	G813 T814 I815	G813-K844 PolarHBondContact O-N 3.21Å; T814-K844 CarbonylContact C-O 3.23Å; T814-K844 VanDerWaalsContact CA-O 3.26Å; T814-K844 WeakPolarHBondContact CA-O 3.34Å; T814-K844 HydrophobicContact CG2-CB 4.46Å; I815-K844 PolarHBondContact N-O 2.97Å
845	L	92.6	Very high	88.4	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.8	179.8	-173	53	0	0	0	110.9	I815 V817 P831 V847 I873 A875 T876	I815-L845 HydrophobicContact CB-CD1 4.19Å; I815-L845 HydrophobicContact CG2-CD1 4.12Å; V817-L845 HydrophobicContact CG2-CD1 3.59Å; P831-L845 HydrophobicContact CB-CD1 3.69Å; P831-L845 HydrophobicContact CB-CD2 4.27Å; P831-L845 HydrophobicContact CG-CD1 4Å; P831-L845 HydrophobicContact CG-CD2 4.21Å; L845-V847 HydrophobicContact CG-CG2 4.29Å; L845-I873 HydrophobicContact CD2-CG2 3.9Å; L845-A875 HydrophobicContact CB-CB 3.83Å; L845-A875 HydrophobicContact CD2-CB 3.95Å; L845-A875 HydrophobicContact CG-CB 3.77Å; L845-A875 VanDerWaalsContact O-CA 3.25Å; L845-A875 WeakPolarHBondContact O-CA 3.45Å; L845-T876 PolarHBondContact O-N 3.42Å
846	R	94.1	Very high	88.1	Confident	44 Å²	44	47.5 Å²	47.5	17%	0.166	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	170.6	-60.2	-165.9	-69.7	-149.9	-0.1	108.9	T814 I815 D816 V817 F848 K1049 D1052	T814-R846 HydrophobicContact CG2-CG 4.02Å; T814-R846 PolarHBondContact OG1-NH2 3.43Å; I815-R846 PolarHBondContact O-N 3.21Å; D816-R846 WeakPolarHBondContact CA-O 3.2Å; D816-R846 VanDerWaalsContact CG-NH2 3.28Å; D816-R846 IonicContact OD1-CZ 2.69Å; D816-R846 IonicContact OD1-NE 2.8Å; D816-R846 PolarHBondContact OD1-NE 2.95Å; D816-R846 IonicContact OD1-NH2 3.07Å; D816-R846 PolarHBondContact OD1-NH2 3.3Å; D816-R846 IonicContact OD2-CZ 2.88Å; D816-R846 IonicContact OD2-NE 2.73Å; D816-R846 PolarHBondContact OD2-NE 3.46Å; D816-R846 IonicContact OD2-NH2 2.63Å; D816-R846 PolarHBondContact OD2-NH2 3.36Å; V817-R846 PolarHBondContact N-O 3Å; R846-F848 HydrophobicContact CB-CE2 3.87Å; R846-F848 HydrophobicContact CB-CZ 4.07Å; R846-K1049 PolarHBondContact NH2-O 3.2Å; R846-D1052 IonicContact CZ-OD1 2.98Å; R846-D1052 IonicContact CZ-OD2 3.83Å; R846-D1052 IonicContact NH1-OD1 3.66Å; R846-D1052 PolarHBondContact NH1-OD1 3.28Å; R846-D1052 IonicContact NH1-OD2 2.75Å; R846-D1052 PolarHBondContact NH1-OD2 2.83Å; R846-D1052 IonicContact NH2-OD1 3.9Å; R846-D1052 PolarHBondContact NH2-OD1 2.66Å; R846-D1052 IonicContact NH2-OD2 3.83Å
847	V	91.8	Very high	88	Confident	3 Å²	3	45 Å²	45	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	104.8	179.6	-178.2	0	0	0	0	109.2	V817 L828 L845 T849 A875 T876 V877 D878	V817-V847 HydrophobicContact CB-CG2 4.36Å; V817-V847 CarbonylContact O-C 3.55Å; L828-V847 HydrophobicContact CD2-CG1 4.01Å; L828-V847 HydrophobicContact CD2-CG2 3.61Å; L845-V847 HydrophobicContact CG-CG2 4.29Å; V847-T849 HydrophobicContact CG1-CG2 3.92Å; V847-A875 HydrophobicContact CG2-CB 4.08Å; V847-T876 PolarHBondContact N-O 3.42Å; V847-V877 WeakPolarHBondContact O-CA 3.26Å; V847-D878 PolarHBondContact O-N 3.41Å
848	F	92.8	Very high	87.8	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.7	175.2	-60.7	-68	0	0	0	109.4	D816 V817 W818 W819 R846 D878 V880 K1049	D816-F848 HydrophobicContact CB-CD2 4.38Å; D816-F848 HydrophobicContact CB-CE2 4.13Å; D816-F848 WeakPolarHBondContact OD2-CE2 3.44Å; V817-F848 PolarHBondContact O-N 3.44Å; W818-F848 CarbonylContact C-O 3.57Å; W818-F848 WeakPolarHBondContact CA-O 3.33Å; W818-F848 HydrophobicContact CD2-CB 3.78Å; W818-F848 HydrophobicContact CD2-CD2 4.28Å; W818-F848 HydrophobicContact CD2-CG 4.33Å; W818-F848 AromaticContact CE2-CD2 3.67Å; W818-F848 AromaticContact CE2-CG 3.96Å; W818-F848 HydrophobicContact CE3-CB 3.89Å; W818-F848 HydrophobicContact CG-CB 4.29Å; W818-F848 HydrophobicContact CH2-CB 4.37Å; W818-F848 HydrophobicContact CH2-CG 4.46Å; W818-F848 HydrophobicContact CZ2-CB 4.24Å; W818-F848 AromaticContact CZ2-CD2 3.98Å; W818-F848 HydrophobicContact CZ2-CD2 3.98Å; W818-F848 HydrophobicContact CZ2-CG 4.04Å; W818-F848 HydrophobicContact CZ3-CB 4.19Å; W818-F848 AromaticContact NE1-CD2 3.56Å; W819-F848 PolarHBondContact N-O 3.46Å; R846-F848 HydrophobicContact CB-CE2 3.87Å; R846-F848 HydrophobicContact CB-CZ 4.07Å; F848-D878 WeakPolarHBondContact CA-O 3.44Å; F848-D878 HydrophobicContact CD1-CB 3.81Å; F848-D878 HydrophobicContact CE1-CB 4.01Å; F848-V880 HydrophobicContact CB-CG2 4.32Å; F848-V880 HydrophobicContact CD1-CG2 4.27Å; F848-K1049 HydrophobicContact CD1-CD 4.32Å; F848-K1049 HydrophobicContact CE1-CB 4.46Å; F848-K1049 HydrophobicContact CE1-CD 4.06Å; F848-K1049 HydrophobicContact CZ-CB 4.19Å
849	T	89.2	Confident	87.5	Confident	4 Å²	4	49 Å²	49	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.5	179.3	57.8	0	0	0	0	110.6	W819 V847 L864 D878 V879 V880	W819-T849 HydrophobicContact CB-CG2 4.19Å; W819-T849 HydrophobicContact CD2-CG2 4.22Å; W819-T849 HydrophobicContact CE3-CG2 3.58Å; W819-T849 HydrophobicContact CZ3-CG2 4.29Å; V847-T849 HydrophobicContact CG1-CG2 3.92Å; T849-L864 HydrophobicContact CG2-CD1 3.63Å; T849-D878 PolarHBondContact N-O 3.11Å; T849-D878 PolarHBondContact OG1-O 2.89Å; T849-D878 VanDerWaalsContact OG1-O 3.05Å; T849-V879 CarbonylContact O-C 3.57Å; T849-V879 WeakPolarHBondContact O-CA 3.47Å; T849-V879 WeakPolarHBondContact OG1-CG2 3.25Å; T849-V880 PolarHBondContact O-N 2.61Å
850	V	86.7	Confident	87	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115	-179.5	170.8	0	0	0	0	110.2	W818 W819 I820 V880 F882 I887	W818-V850 HydrophobicContact CE3-CG2 4.47Å; W819-V850 PolarHBondContact O-N 3.38Å; I820-V850 HydrophobicContact CG1-CG2 4.1Å; I820-V850 HydrophobicContact CG2-CB 4.47Å; I820-V850 HydrophobicContact CG2-CG2 4.5Å; V850-V880 WeakPolarHBondContact CA-O 3.46Å; V850-F882 HydrophobicContact CB-CD2 4.5Å; V850-F882 HydrophobicContact CG1-CB 4.4Å; V850-F882 HydrophobicContact CG1-CD2 3.8Å; V850-F882 HydrophobicContact CG1-CG 4.5Å; V850-F882 HydrophobicContact CG2-CD2 4.09Å; V850-F882 HydrophobicContact CG2-CE2 4.04Å; V850-I887 HydrophobicContact CG1-CG2 3.8Å
851	A	83.4	Confident	86.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.6	174	0	0	0	0	0	110.7	D855 M860 V879 V880 E881 F882	A851-D855 HydrophobicContact CB-CB 4.12Å; A851-M860 HydrophobicContact CB-CE 4.35Å; A851-M860 HydrophobicContact CB-SD 4.17Å; A851-V879 HydrophobicContact CB-CG1 3.41Å; A851-V879 VanDerWaalsContact CB-CG1 3.41Å; A851-V880 PolarHBondContact N-O 2.71Å; A851-E881 WeakPolarHBondContact O-CA 3.39Å; A851-F882 PolarHBondContact O-N 3.3Å
852	Q	81.6	Confident	86.7	Confident	16 Å²	16	50.7 Å²	50.7	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	155.7	170.2	-69.7	167.7	-79.7	0	0	110.3	H854 D855 D884 I887 R894	Q852-H854 VanDerWaalsContact CD-CE1 3.44Å; Q852-H854 PolarHBondContact NE2-CE1 2.99Å; Q852-H854 VanDerWaalsContact NE2-CE1 3.29Å; Q852-H854 PolarHBondContact O-N 2.93Å; Q852-H854 PolarHBondContact OE1-NE2 3.14Å; Q852-D855 PolarHBondContact N-OD2 3.38Å; Q852-D855 WeakPolarHBondContact O-CB 3.31Å; Q852-D855 PolarHBondContact O-N 3.16Å; Q852-D884 WeakPolarHBondContact CG-OD1 3.38Å; Q852-D884 PolarHBondContact NE2-OD1 3.25Å; Q852-I887 HydrophobicContact CG-CD1 3.56Å; Q852-R894 VanDerWaalsContact OE1-CZ 3.27Å
853	M	79.1	Confident	86.4	Confident	125 Å²	125	49.3 Å²	49.3	62%	0.616	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-4.4	175.1	-67.6	-76.1	172	0	0	114.9	E881 F882	M853-E881 HydrophobicContact CE-CB 4.09Å; M853-E881 HydrophobicContact SD-CB 4.29Å; M853-F882 PolarHBondContact N-O 3.06Å
854	H	80	Confident	86	Confident	95 Å²	95	49.7 Å²	49.7	44%	0.44	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-3.4	175.2	58.2	-107.4	0	0	0	114	Q852 D884	Q852-H854 VanDerWaalsContact CD-CE1 3.44Å; Q852-H854 PolarHBondContact NE2-CE1 2.99Å; Q852-H854 VanDerWaalsContact NE2-CE1 3.29Å; Q852-H854 PolarHBondContact O-N 2.93Å; Q852-H854 PolarHBondContact OE1-NE2 3.14Å; H854-D884 IonicContact CE1-OD1 2.69Å; H854-D884 IonicContact CE1-OD2 2.86Å; H854-D884 IonicContact ND1-OD2 2.94Å
855	D	77.4	Confident	85.8	Confident	16 Å²	16	45.8 Å²	45.8	9%	0.086	23%	0.226	C	C	.	.	S	Bend	trans	-79.1	147.4	171.4	-76.4	-45.1	0	0	0	109.9	A851 Q852 S857 M860	A851-D855 HydrophobicContact CB-CB 4.12Å; Q852-D855 PolarHBondContact N-OD2 3.38Å; Q852-D855 WeakPolarHBondContact O-CB 3.31Å; Q852-D855 PolarHBondContact O-N 3.16Å; D855-S857 PolarHBondContact O-N 2.96Å; D855-M860 HydrophobicContact CB-CE 3.79Å
856	N	84.2	Confident	85.4	Confident	98 Å²	98	49.2 Å²	49.2	52%	0.524	25%	0.245	S	C	.	.			trans	-79.1	89.1	170.3	-173.4	-36.2	0	0	0	110	V858 K859 M860	N856-V858 PolarHBondContact O-N 3.07Å; N856-K859 HydrophobicContact CB-CB 4.19Å; N856-K859 PolarHBondContact O-N 3.39Å; N856-K859 VanDerWaalsContact OD1-CB 3.25Å; N856-K859 WeakPolarHBondContact OD1-CB 3.49Å; N856-K859 PolarHBondContact OD1-N 3.06Å; N856-M860 WeakPolarHBondContact O-CB 3.46Å; N856-M860 PolarHBondContact O-N 3.42Å
857	S	84	Confident	84.7	Confident	22 Å²	22	47.4 Å²	47.4	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-42.9	-177.2	55.5	0	0	0	0	113.7	D855 K859 M860 K861 E881	D855-S857 PolarHBondContact O-N 2.96Å; S857-K859 PolarHBondContact O-N 3.17Å; S857-M860 PolarHBondContact O-N 2.85Å; S857-K861 PolarHBondContact O-N 3.36Å; S857-E881 WeakPolarHBondContact CB-OE1 3.35Å; S857-E881 PolarHBondContact OG-OE1 2.88Å
858	V	85.8	Confident	84.4	Confident	96 Å²	96	47.6 Å²	47.6	58%	0.582	24%	0.239	S	C	*	.	H	α-helix	trans	-59.3	-47	178	179.9	0	0	0	0	111	N856 K861 Q862	N856-V858 PolarHBondContact O-N 3.07Å; V858-K861 PolarHBondContact O-N 3.49Å; V858-Q862 WeakPolarHBondContact O-CG 3.07Å; V858-Q862 PolarHBondContact O-N 2.94Å; V858-Q862 VanDerWaalsContact O-N 3.14Å
859	K	84.2	Confident	83.9	Confident	98 Å²	98	56.2 Å²	56.2	43%	0.426	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-41.6	177.8	-177	158.4	-173	159.8	0	111.8	N856 S857 K861 Q862 D863	N856-K859 HydrophobicContact CB-CB 4.19Å; N856-K859 PolarHBondContact O-N 3.39Å; N856-K859 VanDerWaalsContact OD1-CB 3.25Å; N856-K859 WeakPolarHBondContact OD1-CB 3.49Å; N856-K859 PolarHBondContact OD1-N 3.06Å; S857-K859 PolarHBondContact O-N 3.17Å; K859-K861 VanDerWaalsContact C-N 3.29Å; K859-K861 PolarHBondContact O-N 3.5Å; K859-Q862 PolarHBondContact O-N 3.24Å; K859-D863 WeakPolarHBondContact CE-OD2 3.31Å; K859-D863 WeakPolarHBondContact CG-OD2 3.25Å; K859-D863 WeakPolarHBondContact O-CB 3.29Å; K859-D863 PolarHBondContact O-N 2.68Å
860	M	82.6	Confident	83.3	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.059	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-42.3	175.1	-169.9	-179.5	-64	0	0	111.3	A851 D855 N856 S857 L864	A851-M860 HydrophobicContact CB-CE 4.35Å; A851-M860 HydrophobicContact CB-SD 4.17Å; D855-M860 HydrophobicContact CB-CE 3.79Å; N856-M860 WeakPolarHBondContact O-CB 3.46Å; N856-M860 PolarHBondContact O-N 3.42Å; S857-M860 PolarHBondContact O-N 2.85Å; M860-L864 HydrophobicContact CG-CD1 3.94Å; M860-L864 HydrophobicContact CG-CG 4.48Å; M860-L864 VanDerWaalsContact O-CB 3.27Å; M860-L864 WeakPolarHBondContact O-CB 3.09Å; M860-L864 WeakPolarHBondContact O-CD1 3.45Å; M860-L864 WeakPolarHBondContact O-CG 3.14Å; M860-L864 PolarHBondContact O-N 3.11Å
861	K	88.5	Confident	82.7	Confident	62 Å²	62	63.4 Å²	63.4	27%	0.27	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-52.8	174.1	-176.6	159.2	174.8	159.5	0	111.5	S857 V858 K859 D863 L864 E865 V877 D878 V879	S857-K861 PolarHBondContact O-N 3.36Å; V858-K861 PolarHBondContact O-N 3.49Å; K859-K861 VanDerWaalsContact C-N 3.29Å; K859-K861 PolarHBondContact O-N 3.5Å; K861-D863 PolarHBondContact O-N 3.15Å; K861-L864 PolarHBondContact O-N 3.08Å; K861-E865 WeakPolarHBondContact CE-OE1 3.34Å; K861-E865 HydrophobicContact CG-CG 4.22Å; K861-E865 IonicContact NZ-OE1 3.73Å; K861-E865 WeakPolarHBondContact O-CB 3.49Å; K861-E865 WeakPolarHBondContact O-CG 3.3Å; K861-E865 PolarHBondContact O-N 3.02Å; K861-V877 WeakPolarHBondContact CE-O 3.48Å; K861-V877 PolarHBondContact NZ-O 2.81Å; K861-D878 IonicContact NZ-OD1 3.02Å; K861-D878 PolarHBondContact NZ-OD1 2.9Å; K861-V879 HydrophobicContact CB-CG2 3.74Å
862	Q	87.8	Confident	82.6	Confident	107 Å²	107	74.2 Å²	74.2	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-59.2	-46.8	-179.4	-71.4	175.4	-8.9	0	0	113	V858 K859 L864 E865 N866	V858-Q862 WeakPolarHBondContact O-CG 3.07Å; V858-Q862 PolarHBondContact O-N 2.94Å; V858-Q862 VanDerWaalsContact O-N 3.14Å; K859-Q862 PolarHBondContact O-N 3.24Å; Q862-L864 VanDerWaalsContact C-N 3.31Å; Q862-L864 PolarHBondContact O-N 3Å; Q862-E865 PolarHBondContact O-N 3.08Å; Q862-N866 WeakPolarHBondContact O-CB 3.35Å; Q862-N866 VanDerWaalsContact O-CG 3.32Å; Q862-N866 PolarHBondContact O-N 2.94Å; Q862-N866 PolarHBondContact O-ND2 3.46Å
863	D	83.2	Confident	82.6	Confident	47 Å²	47	74 Å²	74	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-32.5	-179.1	-73.2	-50.9	0	0	0	111.6	K859 K861 W867 H926	K859-D863 WeakPolarHBondContact CE-OD2 3.31Å; K859-D863 WeakPolarHBondContact CG-OD2 3.25Å; K859-D863 WeakPolarHBondContact O-CB 3.29Å; K859-D863 PolarHBondContact O-N 2.68Å; K861-D863 PolarHBondContact O-N 3.15Å; D863-W867 VanDerWaalsContact O-CB 3.28Å; D863-W867 WeakPolarHBondContact O-CB 3.48Å; D863-W867 PolarHBondContact O-N 3.47Å; D863-H926 IonicContact OD2-CE1 2.86Å; D863-H926 PolarHBondContact OD2-CE1 2.86Å; D863-H926 IonicContact OD2-ND1 3.78Å; D863-H926 IonicContact OD2-NE2 2.8Å
864	L	85.1	Confident	82.9	Confident	10 Å²	10	75.4 Å²	75.4	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-74.1	-41.8	173.6	-72.3	175.4	0	0	0	113.5	W819 T849 M860 K861 Q862 N866 W867 V868 V877	W819-L864 HydrophobicContact CH2-CD2 4.07Å; W819-L864 HydrophobicContact CZ3-CD1 4.37Å; W819-L864 HydrophobicContact CZ3-CD2 3.62Å; T849-L864 HydrophobicContact CG2-CD1 3.63Å; M860-L864 HydrophobicContact CG-CD1 3.94Å; M860-L864 HydrophobicContact CG-CG 4.48Å; M860-L864 VanDerWaalsContact O-CB 3.27Å; M860-L864 WeakPolarHBondContact O-CB 3.09Å; M860-L864 WeakPolarHBondContact O-CD1 3.45Å; M860-L864 WeakPolarHBondContact O-CG 3.14Å; M860-L864 PolarHBondContact O-N 3.11Å; K861-L864 PolarHBondContact O-N 3.08Å; Q862-L864 VanDerWaalsContact C-N 3.31Å; Q862-L864 PolarHBondContact O-N 3Å; L864-N866 VanDerWaalsContact C-N 3.32Å; L864-N866 PolarHBondContact O-N 2.99Å; L864-W867 PolarHBondContact O-N 3.35Å; L864-V868 WeakPolarHBondContact O-CB 3.49Å; L864-V868 WeakPolarHBondContact O-CG2 3.48Å; L864-V868 PolarHBondContact O-N 3.14Å; L864-V877 HydrophobicContact CB-CG1 3.93Å; L864-V877 HydrophobicContact CB-CG2 4.42Å; L864-V877 HydrophobicContact CD1-CG1 4.13Å
865	E	88.3	Confident	83.3	Confident	81 Å²	81	71.7 Å²	71.7	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-45.1	173.6	-73.5	174.3	150.9	0	0	110.6	K861 Q862 W867 V868 Y869 V877	K861-E865 WeakPolarHBondContact CE-OE1 3.34Å; K861-E865 HydrophobicContact CG-CG 4.22Å; K861-E865 IonicContact NZ-OE1 3.73Å; K861-E865 WeakPolarHBondContact O-CB 3.49Å; K861-E865 WeakPolarHBondContact O-CG 3.3Å; K861-E865 PolarHBondContact O-N 3.02Å; Q862-E865 PolarHBondContact O-N 3.08Å; E865-W867 VanDerWaalsContact C-N 3.35Å; E865-W867 PolarHBondContact O-N 2.97Å; E865-V868 PolarHBondContact O-N 3.05Å; E865-Y869 VanDerWaalsContact O-CB 3.31Å; E865-Y869 WeakPolarHBondContact O-CB 3.34Å; E865-Y869 PolarHBondContact O-N 3Å; E865-V877 HydrophobicContact CG-CB 3.95Å; E865-V877 HydrophobicContact CG-CG2 4.22Å
866	N	84.4	Confident	84	Confident	87 Å²	87	75 Å²	75	47%	0.465	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-40	174.4	-78.9	-51	0	0	0	112.8	Q862 L864 Q870	Q862-N866 WeakPolarHBondContact O-CB 3.35Å; Q862-N866 VanDerWaalsContact O-CG 3.32Å; Q862-N866 PolarHBondContact O-N 2.94Å; Q862-N866 PolarHBondContact O-ND2 3.46Å; L864-N866 VanDerWaalsContact C-N 3.32Å; L864-N866 PolarHBondContact O-N 2.99Å; N866-Q870 VanDerWaalsContact O-CG 3.27Å; N866-Q870 WeakPolarHBondContact O-CG 3.28Å; N866-Q870 PolarHBondContact O-N 3.11Å; N866-Q870 PolarHBondContact O-NE2 3.34Å
867	W	79.6	Confident	84.3	Confident	6 Å²	6	70.5 Å²	70.5	2%	0.023	34%	0.339	C	S	.	.	H	α-helix	trans	-73	-41.4	179.7	172.9	94.1	0	0	0	112.1	L828 D863 L864 E865 Y869 Q870 L871 Q917 P919 L922 Y1101	L828-W867 HydrophobicContact CD1-CH2 3.58Å; L828-W867 HydrophobicContact CD1-CZ3 3.54Å; D863-W867 VanDerWaalsContact O-CB 3.28Å; D863-W867 WeakPolarHBondContact O-CB 3.48Å; D863-W867 PolarHBondContact O-N 3.47Å; L864-W867 PolarHBondContact O-N 3.35Å; E865-W867 VanDerWaalsContact C-N 3.35Å; E865-W867 PolarHBondContact O-N 2.97Å; W867-Y869 VanDerWaalsContact C-N 3.32Å; W867-Y869 PolarHBondContact O-N 3.49Å; W867-Q870 PolarHBondContact O-N 2.94Å; W867-L871 HydrophobicContact CD2-CD1 4.15Å; W867-L871 HydrophobicContact CE3-CD1 4.36Å; W867-L871 HydrophobicContact CH2-CD1 3.31Å; W867-L871 HydrophobicContact CZ2-CD1 3.05Å; W867-L871 HydrophobicContact CZ2-CG 4.27Å; W867-L871 HydrophobicContact CZ3-CD1 3.97Å; W867-L871 PolarHBondContact O-N 2.97Å; W867-L871 VanDerWaalsContact O-N 3.12Å; W867-Q917 PolarHBondContact NE1-O 3.14Å; W867-P919 HydrophobicContact CD2-CB 4.21Å; W867-P919 HydrophobicContact CE3-CB 4.37Å; W867-P919 HydrophobicContact CH2-CB 3.58Å; W867-P919 HydrophobicContact CH2-CG 3.65Å; W867-P919 HydrophobicContact CZ2-CB 3.32Å; W867-P919 VanDerWaalsContact CZ2-CD 3.44Å; W867-P919 HydrophobicContact CZ2-CG 3.39Å; W867-P919 HydrophobicContact CZ3-CB 4.1Å; W867-L922 HydrophobicContact CB-CD2 3.78Å; W867-L922 HydrophobicContact CG-CD2 3.85Å; W867-Y1101 HydrophobicContact CH2-CE2 4.41Å; W867-Y1101 HydrophobicContact CZ2-CE2 4.17Å
868	V	84	Confident	84.6	Confident	7 Å²	7	72.4 Å²	72.4	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-45.1	172.2	162.5	0	0	0	0	110.5	L864 E865 L871 R872 I873 A875 V877	L864-V868 WeakPolarHBondContact O-CB 3.49Å; L864-V868 WeakPolarHBondContact O-CG2 3.48Å; L864-V868 PolarHBondContact O-N 3.14Å; E865-V868 PolarHBondContact O-N 3.05Å; V868-L871 PolarHBondContact O-N 2.9Å; V868-R872 PolarHBondContact O-N 2.79Å; V868-I873 HydrophobicContact CG1-CB 4.23Å; V868-I873 WeakPolarHBondContact CG1-O 3.4Å; V868-I873 PolarHBondContact O-N 2.87Å; V868-I873 VanDerWaalsContact O-N 3.17Å; V868-A875 HydrophobicContact CG1-CB 4.08Å; V868-V877 HydrophobicContact CG2-CG2 3.86Å
869	Y	82.6	Confident	84.8	Confident	189 Å²	189	69.1 Å²	69.1	74%	0.741	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-44.7	175.1	176.2	-97.8	0	0	0	112.8	E865 W867 L871 R872	E865-Y869 VanDerWaalsContact O-CB 3.31Å; E865-Y869 WeakPolarHBondContact O-CB 3.34Å; E865-Y869 PolarHBondContact O-N 3Å; W867-Y869 VanDerWaalsContact C-N 3.32Å; W867-Y869 PolarHBondContact O-N 3.49Å; Y869-L871 PolarHBondContact O-N 2.73Å; Y869-R872 PolarHBondContact O-N 3.38Å
870	Q	76.7	Confident	85	Confident	134 Å²	134	65.2 Å²	65.2	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-60.3	-32.6	177.3	-78.6	173	49.6	0	0	113	N866 W867	N866-Q870 VanDerWaalsContact O-CG 3.27Å; N866-Q870 WeakPolarHBondContact O-CG 3.28Å; N866-Q870 PolarHBondContact O-N 3.11Å; N866-Q870 PolarHBondContact O-NE2 3.34Å; W867-Q870 PolarHBondContact O-N 2.94Å
871	L	74	Confident	85.1	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.4	174.4	-68.5	-178.9	0	0	0	114.8	W867 V868 Y869 I873 Y1101	W867-L871 HydrophobicContact CD2-CD1 4.15Å; W867-L871 HydrophobicContact CE3-CD1 4.36Å; W867-L871 HydrophobicContact CH2-CD1 3.31Å; W867-L871 HydrophobicContact CZ2-CD1 3.05Å; W867-L871 HydrophobicContact CZ2-CG 4.27Å; W867-L871 HydrophobicContact CZ3-CD1 3.97Å; W867-L871 PolarHBondContact O-N 2.97Å; W867-L871 VanDerWaalsContact O-N 3.12Å; V868-L871 PolarHBondContact O-N 2.9Å; Y869-L871 PolarHBondContact O-N 2.73Å; L871-I873 HydrophobicContact CB-CD1 4.11Å; L871-I873 HydrophobicContact CB-CG1 4.04Å; L871-I873 HydrophobicContact CD1-CD1 4.2Å; L871-I873 PolarHBondContact O-N 3.26Å; L871-Y1101 HydrophobicContact CD1-CD2 3.41Å; L871-Y1101 VanDerWaalsContact CD1-CD2 3.41Å; L871-Y1101 HydrophobicContact CD1-CE2 3.46Å; L871-Y1101 VanDerWaalsContact CD1-CE2 3.46Å; L871-Y1101 HydrophobicContact CD1-CG 4.13Å; L871-Y1101 HydrophobicContact CD2-CD2 3.88Å; L871-Y1101 HydrophobicContact CD2-CE2 4.48Å; L871-Y1101 HydrophobicContact CG-CD2 4.21Å
872	R	82	Confident	84.9	Confident	227 Å²	227	67.2 Å²	67.2	86%	0.857	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	32.8	-178.4	-48.3	174.1	179.6	179.2	-2.8	113.1	V868 Y869	V868-R872 PolarHBondContact O-N 2.79Å; Y869-R872 PolarHBondContact O-N 3.38Å
873	I	82.1	Confident	84.6	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.062	32%	0.315	C	S	.	.			trans	-88.2	122.1	171.4	-59	176.3	0	0	0	107.1	F832 L845 V868 L871 A875 Y1101	F832-I873 HydrophobicContact CD2-CD1 4.45Å; F832-I873 HydrophobicContact CD2-CG1 3.99Å; F832-I873 HydrophobicContact CE2-CG1 4.33Å; L845-I873 HydrophobicContact CD2-CG2 3.9Å; V868-I873 HydrophobicContact CG1-CB 4.23Å; V868-I873 WeakPolarHBondContact CG1-O 3.4Å; V868-I873 PolarHBondContact O-N 2.87Å; V868-I873 VanDerWaalsContact O-N 3.17Å; L871-I873 HydrophobicContact CB-CD1 4.11Å; L871-I873 HydrophobicContact CB-CG1 4.04Å; L871-I873 HydrophobicContact CD1-CD1 4.2Å; L871-I873 PolarHBondContact O-N 3.26Å; I873-A875 HydrophobicContact CG2-CB 4.04Å; I873-A875 PolarHBondContact O-N 2.98Å; I873-A875 VanDerWaalsContact O-N 3.17Å; I873-Y1101 HydrophobicContact CD1-CD1 3.88Å; I873-Y1101 HydrophobicContact CD1-CE1 4.33Å; I873-Y1101 HydrophobicContact CD1-CG 4.17Å
874	D	85.1	Confident	84.2	Confident	153 Å²	153	65.5 Å²	65.5	82%	0.818	32%	0.322	S	S	*	.			trans	-82.6	90.8	175.9	-174.3	20.7	0	0	0	109.6
875	A	88.1	Confident	83.7	Confident	18 Å²	18	68.7 Å²	68.7	15%	0.149	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.6	-177	0	0	0	0	0	112.7	L845 V847 V868 I873	L845-A875 HydrophobicContact CB-CB 3.83Å; L845-A875 HydrophobicContact CD2-CB 3.95Å; L845-A875 HydrophobicContact CG-CB 3.77Å; L845-A875 VanDerWaalsContact O-CA 3.25Å; L845-A875 WeakPolarHBondContact O-CA 3.45Å; V847-A875 HydrophobicContact CG2-CB 4.08Å; V868-A875 HydrophobicContact CG1-CB 4.08Å; I873-A875 HydrophobicContact CG2-CB 4.04Å; I873-A875 PolarHBondContact O-N 2.98Å; I873-A875 VanDerWaalsContact O-N 3.17Å
876	T	91.5	Very high	83.2	Confident	84 Å²	84	65.5 Å²	65.5	52%	0.515	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.8	171.7	57.1	0	0	0	0	109.9	L845 V847	L845-T876 PolarHBondContact O-N 3.42Å; V847-T876 PolarHBondContact N-O 3.42Å
877	V	90.8	Very high	82.9	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	176.8	-177.4	0	0	0	0	110.1	V847 K861 L864 E865 V868	V847-V877 WeakPolarHBondContact O-CA 3.26Å; K861-V877 WeakPolarHBondContact CE-O 3.48Å; K861-V877 PolarHBondContact NZ-O 2.81Å; L864-V877 HydrophobicContact CB-CG1 3.93Å; L864-V877 HydrophobicContact CB-CG2 4.42Å; L864-V877 HydrophobicContact CD1-CG1 4.13Å; E865-V877 HydrophobicContact CG-CB 3.95Å; E865-V877 HydrophobicContact CG-CG2 4.22Å; V868-V877 HydrophobicContact CG2-CG2 3.86Å
878	D	91.3	Very high	82.7	Confident	62 Å²	62	63.5 Å²	63.5	33%	0.332	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.5	166.4	-82.1	-39.3	0	0	0	110.6	V847 F848 T849 K861	V847-D878 PolarHBondContact O-N 3.41Å; F848-D878 WeakPolarHBondContact CA-O 3.44Å; F848-D878 HydrophobicContact CD1-CB 3.81Å; F848-D878 HydrophobicContact CE1-CB 4.01Å; T849-D878 PolarHBondContact N-O 3.11Å; T849-D878 PolarHBondContact OG1-O 2.89Å; T849-D878 VanDerWaalsContact OG1-O 3.05Å; K861-D878 IonicContact NZ-OD1 3.02Å; K861-D878 PolarHBondContact NZ-OD1 2.9Å
879	V	88.6	Confident	82.1	Confident	28 Å²	28	65.1 Å²	65.1	17%	0.17	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.3	175.1	-178.7	0	0	0	0	108	T849 A851 K861	T849-V879 CarbonylContact O-C 3.57Å; T849-V879 WeakPolarHBondContact O-CA 3.47Å; T849-V879 WeakPolarHBondContact OG1-CG2 3.25Å; A851-V879 HydrophobicContact CB-CG1 3.41Å; A851-V879 VanDerWaalsContact CB-CG1 3.41Å; K861-V879 HydrophobicContact CB-CG2 3.74Å
880	V	88.3	Confident	81.8	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.3	178	-166.2	0	0	0	0	108.2	W818 F848 T849 V850 A851 F882	W818-V880 HydrophobicContact CH2-CG2 4.34Å; W818-V880 HydrophobicContact CZ3-CG2 4.17Å; F848-V880 HydrophobicContact CB-CG2 4.32Å; F848-V880 HydrophobicContact CD1-CG2 4.27Å; T849-V880 PolarHBondContact O-N 2.61Å; V850-V880 WeakPolarHBondContact CA-O 3.46Å; A851-V880 PolarHBondContact N-O 2.71Å; V880-F882 HydrophobicContact CB-CD2 4.42Å; V880-F882 HydrophobicContact CB-CE2 4.01Å; V880-F882 HydrophobicContact CG1-CD2 4.05Å; V880-F882 HydrophobicContact CG1-CE2 3.47Å; V880-F882 VanDerWaalsContact CG1-CE2 3.47Å; V880-F882 HydrophobicContact CG1-CZ 4.08Å
881	E	85.9	Confident	81.7	Confident	96 Å²	96	51.9 Å²	51.9	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.1	-177.3	-68.1	173.5	-171.6	0	0	110.7	A851 M853 S857	A851-E881 WeakPolarHBondContact O-CA 3.39Å; M853-E881 HydrophobicContact CE-CB 4.09Å; M853-E881 HydrophobicContact SD-CB 4.29Å; S857-E881 WeakPolarHBondContact CB-OE1 3.35Å; S857-E881 PolarHBondContact OG-OE1 2.88Å
882	F	84.3	Confident	81.5	Confident	20 Å²	20	60.4 Å²	60.4	9%	0.088	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.1	177.1	-78.2	-84.3	0	0	0	111.1	W818 V850 A851 M853 V880 T886 I887 L1042 A1045	W818-F882 HydrophobicContact CZ3-CE2 4.41Å; V850-F882 HydrophobicContact CB-CD2 4.5Å; V850-F882 HydrophobicContact CG1-CB 4.4Å; V850-F882 HydrophobicContact CG1-CD2 3.8Å; V850-F882 HydrophobicContact CG1-CG 4.5Å; V850-F882 HydrophobicContact CG2-CD2 4.09Å; V850-F882 HydrophobicContact CG2-CE2 4.04Å; A851-F882 PolarHBondContact O-N 3.3Å; M853-F882 PolarHBondContact N-O 3.06Å; V880-F882 HydrophobicContact CB-CD2 4.42Å; V880-F882 HydrophobicContact CB-CE2 4.01Å; V880-F882 HydrophobicContact CG1-CD2 4.05Å; V880-F882 HydrophobicContact CG1-CE2 3.47Å; V880-F882 VanDerWaalsContact CG1-CE2 3.47Å; V880-F882 HydrophobicContact CG1-CZ 4.08Å; F882-T886 WeakPolarHBondContact CD1-OG1 3.44Å; F882-I887 HydrophobicContact CB-CG2 3.83Å; F882-I887 HydrophobicContact CG-CG2 4.26Å; F882-L1042 HydrophobicContact CE1-CD1 4.46Å; F882-L1042 HydrophobicContact CE2-CD1 4.35Å; F882-L1042 HydrophobicContact CZ-CD1 3.97Å; F882-A1045 HydrophobicContact CE1-CB 4.12Å; F882-A1045 HydrophobicContact CZ-CB 3.66Å
883	A	80.8	Confident	80.8	Confident	44 Å²	44	51.2 Å²	51.2	36%	0.364	29%	0.285	S	S	.	.			trans	-75.3	144.3	170.3	0	0	0	0	0	110.5	S885 T886	A883-S885 PolarHBondContact O-N 2.95Å; A883-T886 PolarHBondContact O-N 3.26Å; A883-T886 PolarHBondContact O-OG1 2.93Å
884	D	74.1	Confident	80.3	Confident	74 Å²	74	51.9 Å²	51.9	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.9	-176.4	-61.9	-36.1	0	0	0	114	Q852 H854 T886 S888	Q852-D884 WeakPolarHBondContact CG-OD1 3.38Å; Q852-D884 PolarHBondContact NE2-OD1 3.25Å; H854-D884 IonicContact CE1-OD1 2.69Å; H854-D884 IonicContact CE1-OD2 2.86Å; H854-D884 IonicContact ND1-OD2 2.94Å; D884-T886 PolarHBondContact O-N 3.11Å; D884-S888 PolarHBondContact O-N 2.81Å
885	S	76.1	Confident	79.6	Confident	78 Å²	78	49 Å²	49	55%	0.545	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.3	175.1	63.9	0	0	0	0	113.9	A883 S888 T1038	A883-S885 PolarHBondContact O-N 2.95Å; S885-S888 PolarHBondContact O-OG 2.93Å; S885-T1038 WeakPolarHBondContact O-CG2 3.02Å
886	T	77.1	Confident	78.9	Confident	13 Å²	13	52.1 Å²	52.1	8%	0.08	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.5	-177.1	55.7	0	0	0	0	113.2	F882 A883 D884 T1038 K1041	F882-T886 WeakPolarHBondContact CD1-OG1 3.44Å; A883-T886 PolarHBondContact O-N 3.26Å; A883-T886 PolarHBondContact O-OG1 2.93Å; D884-T886 PolarHBondContact O-N 3.11Å; T886-T1038 WeakPolarHBondContact O-CB 3.33Å; T886-K1041 HydrophobicContact CG2-CB 4.13Å; T886-K1041 HydrophobicContact CG2-CD 3.69Å
887	I	77.6	Confident	78.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.5	-180	61.2	174	0	0	0	112.9	I821 V850 Q852 F882 A889 Y890 T891	I821-I887 HydrophobicContact CD1-CD1 4.18Å; V850-I887 HydrophobicContact CG1-CG2 3.8Å; Q852-I887 HydrophobicContact CG-CD1 3.56Å; F882-I887 HydrophobicContact CB-CG2 3.83Å; F882-I887 HydrophobicContact CG-CG2 4.26Å; I887-A889 PolarHBondContact O-N 3.48Å; I887-Y890 PolarHBondContact O-N 3.28Å; I887-T891 HydrophobicContact CD1-CG2 3.79Å; I887-T891 HydrophobicContact CG1-CG2 3.8Å; I887-T891 PolarHBondContact O-N 3.43Å
888	S	75.7	Confident	77.3	Confident	50 Å²	50	50.3 Å²	50.3	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-20.9	-172.7	68.2	0	0	0	0	115.2	D884 S885 Y890 T891	D884-S888 PolarHBondContact O-N 2.81Å; S885-S888 PolarHBondContact O-OG 2.93Å; S888-Y890 VanDerWaalsContact C-N 3.29Å; S888-T891 WeakPolarHBondContact CA-OG1 3.12Å
889	A	72.5	Confident	76.6	Confident	41 Å²	41	53.1 Å²	53.1	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-74.2	-17.8	174.4	0	0	0	0	0	113.7	I887 Y1076	I887-A889 PolarHBondContact O-N 3.48Å; A889-Y1076 HydrophobicContact CB-CE1 4.49Å; A889-Y1076 HydrophobicContact CB-CE2 4.29Å; A889-Y1076 WeakPolarHBondContact CB-OH 3.36Å
890	Y	75.2	Confident	76.1	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-110.8	-25.7	-177.5	-61.3	-90.1	0	0	0	113	I820 H822 I887 S888 L1042 N1059 P1061	I820-Y890 HydrophobicContact CB-CD1 4.25Å; I820-Y890 HydrophobicContact CB-CE1 4.26Å; I820-Y890 HydrophobicContact CB-CG 4.41Å; I820-Y890 HydrophobicContact CD1-CE1 4.41Å; I820-Y890 HydrophobicContact CD1-CE2 4.09Å; I820-Y890 HydrophobicContact CG2-CD1 3.93Å; I820-Y890 HydrophobicContact CG2-CD2 3.59Å; I820-Y890 HydrophobicContact CG2-CE1 4.23Å; I820-Y890 HydrophobicContact CG2-CE2 3.91Å; I820-Y890 HydrophobicContact CG2-CG 3.6Å; H822-Y890 PolarHBondContact NE2-O 2.98Å; I887-Y890 PolarHBondContact O-N 3.28Å; S888-Y890 VanDerWaalsContact C-N 3.29Å; Y890-L1042 HydrophobicContact CE2-CD2 4.04Å; Y890-N1059 HydrophobicContact CD1-CB 4.37Å; Y890-N1059 HydrophobicContact CE1-CB 3.74Å; Y890-N1059 WeakPolarHBondContact CE1-O 3.4Å; Y890-N1059 PolarHBondContact OH-O 3.32Å; Y890-P1061 HydrophobicContact CE1-CB 4.03Å
891	T	74.7	Confident	75.5	Confident	36 Å²	36	57.1 Å²	57.1	22%	0.221	30%	0.302	C	S	.	.	H	α-helix	trans	-75.9	-30.6	-179.8	51.1	0	0	0	0	113.9	I821 I887 S888 E893 R894	I821-T891 HydrophobicContact CD1-CG2 3.47Å; I821-T891 VanDerWaalsContact CD1-CG2 3.47Å; I887-T891 HydrophobicContact CD1-CG2 3.79Å; I887-T891 HydrophobicContact CG1-CG2 3.8Å; I887-T891 PolarHBondContact O-N 3.43Å; S888-T891 WeakPolarHBondContact CA-OG1 3.12Å; T891-E893 VanDerWaalsContact C-N 3.33Å; T891-E893 PolarHBondContact O-N 3Å; T891-E893 VanDerWaalsContact O-N 3.15Å; T891-R894 VanDerWaalsContact O-CB 3.23Å; T891-R894 WeakPolarHBondContact O-CB 3.33Å; T891-R894 PolarHBondContact O-N 2.86Å
892	Y	69	Low	75	Confident	202 Å²	202	53.9 Å²	53.9	79%	0.792	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.5	-166.5	-179.7	-111.4	0	0	0	115.6
893	E	67.4	Low	74.9	Confident	35 Å²	35	61.4 Å²	61.4	16%	0.164	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.7	-179.9	-59	-171.6	146.9	0	0	113.2	T891 T895 L896 I897 R1062 K1065	T891-E893 VanDerWaalsContact C-N 3.33Å; T891-E893 PolarHBondContact O-N 3Å; T891-E893 VanDerWaalsContact O-N 3.15Å; E893-T895 PolarHBondContact O-N 3.13Å; E893-L896 PolarHBondContact O-N 2.96Å; E893-I897 HydrophobicContact CB-CD1 4.18Å; E893-I897 PolarHBondContact O-N 2.72Å; E893-R1062 IonicContact OE1-NH1 3.87Å; E893-R1062 PolarHBondContact OE1-NH1 3.23Å; E893-R1062 WeakPolarHBondContact OE2-CD 3.31Å; E893-R1062 IonicContact OE2-CZ 2.71Å; E893-R1062 IonicContact OE2-NE 2.71Å; E893-R1062 IonicContact OE2-NH1 3.2Å; E893-R1062 PolarHBondContact OE2-NH1 3.22Å; E893-K1065 IonicContact OE1-NZ 3.3Å
894	R	71.7	Confident	74.7	Confident	25 Å²	25	61.2 Å²	61.2	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-48.3	-170.1	166.7	168.5	149.4	176.5	-20.5	113.6	I821 Q852 T891 L896 M898	I821-R894 HydrophobicContact CG2-CG 4.39Å; Q852-R894 VanDerWaalsContact OE1-CZ 3.27Å; T891-R894 VanDerWaalsContact O-CB 3.23Å; T891-R894 WeakPolarHBondContact O-CB 3.33Å; T891-R894 PolarHBondContact O-N 2.86Å; R894-L896 PolarHBondContact O-N 2.76Å; R894-M898 HydrophobicContact CG-SD 4.33Å; R894-M898 WeakPolarHBondContact O-CB 3.43Å; R894-M898 PolarHBondContact O-N 3.25Å; R894-M898 VanDerWaalsContact O-N 3.08Å
895	T	71.1	Confident	74.7	Confident	94 Å²	94	57.9 Å²	57.9	58%	0.577	29%	0.292	S	S	*	.	H	α-helix	trans	-61.6	-45.9	-175.6	-37.1	0	0	0	0	111.4	E893 M898 E899	E893-T895 PolarHBondContact O-N 3.13Å; T895-M898 WeakPolarHBondContact O-CB 3.21Å; T895-M898 PolarHBondContact O-N 3.33Å; T895-E899 WeakPolarHBondContact O-CG 3.31Å; T895-E899 PolarHBondContact O-N 3.4Å
896	L	74.1	Confident	74.8	Confident	83 Å²	83	60.3 Å²	60.3	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-53	180	-178.9	66.9	0	0	0	112.3	E893 R894 M898 E899 E900	E893-L896 PolarHBondContact O-N 2.96Å; R894-L896 PolarHBondContact O-N 2.76Å; L896-M898 PolarHBondContact O-N 3.19Å; L896-E899 PolarHBondContact O-N 2.87Å; L896-E900 WeakPolarHBondContact O-CG 3.39Å; L896-E900 PolarHBondContact O-N 3.49Å
897	I	74	Confident	74.8	Confident	29 Å²	29	64.4 Å²	64.4	15%	0.149	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-33.5	-179	-60.9	169.8	0	0	0	110.9	E893 R901	E893-I897 HydrophobicContact CB-CD1 4.18Å; E893-I897 PolarHBondContact O-N 2.72Å; I897-R901 WeakPolarHBondContact O-CB 3.18Å; I897-R901 VanDerWaalsContact O-CG 3.27Å; I897-R901 WeakPolarHBondContact O-CG 3.16Å; I897-R901 PolarHBondContact O-N 3.22Å
898	M	73.8	Confident	74.6	Confident	21 Å²	21	65.9 Å²	65.9	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-73.9	-31.1	179.8	-178.3	167.4	155.7	0	0	112.6	R894 T895 L896 T902 D924 R927 R928	R894-M898 HydrophobicContact CG-SD 4.33Å; R894-M898 WeakPolarHBondContact O-CB 3.43Å; R894-M898 PolarHBondContact O-N 3.25Å; R894-M898 VanDerWaalsContact O-N 3.08Å; T895-M898 WeakPolarHBondContact O-CB 3.21Å; T895-M898 PolarHBondContact O-N 3.33Å; L896-M898 PolarHBondContact O-N 3.19Å; M898-T902 PolarHBondContact O-N 3.33Å; M898-T902 PolarHBondContact O-OG1 3.45Å; M898-D924 HydrophobicContact CE-CB 3.88Å; M898-D924 WeakPolarHBondContact CE-O 3.38Å; M898-D924 HydrophobicContact CG-CB 3.97Å; M898-D924 HydrophobicContact SD-CB 3.83Å; M898-R927 HydrophobicContact CE-CB 4.32Å; M898-R928 HydrophobicContact CE-CG 3.35Å; M898-R928 VanDerWaalsContact CE-NE 3.34Å; M898-R928 PolarHBondContact O-NH2 2.94Å
899	E	77.1	Confident	74.7	Confident	121 Å²	121	71 Å²	71	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-73.6	-48.5	169.4	-74.7	170.2	-168.8	0	0	111.5	T895 L896 R901 T902 R903	T895-E899 WeakPolarHBondContact O-CG 3.31Å; T895-E899 PolarHBondContact O-N 3.4Å; L896-E899 PolarHBondContact O-N 2.87Å; E899-R901 VanDerWaalsContact C-N 3.31Å; E899-R901 PolarHBondContact O-N 3.48Å; E899-T902 WeakPolarHBondContact O-CA 3.27Å; E899-T902 WeakPolarHBondContact O-CB 3.32Å; E899-T902 PolarHBondContact O-N 3.45Å; E899-R903 PolarHBondContact O-N 3.02Å
900	E	77.9	Confident	74.7	Confident	111 Å²	111	70.3 Å²	70.3	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-54.5	-45.1	175.6	-73.8	176	167.6	0	0	111.7	L896 T902 R903 L904	L896-E900 WeakPolarHBondContact O-CG 3.39Å; L896-E900 PolarHBondContact O-N 3.49Å; E900-T902 VanDerWaalsContact C-N 3.35Å; E900-T902 PolarHBondContact O-N 3.11Å; E900-R903 PolarHBondContact O-N 3.3Å; E900-L904 WeakPolarHBondContact O-CB 3.49Å; E900-L904 PolarHBondContact O-N 3.16Å
901	R	75.2	Confident	74.7	Confident	16 Å²	16	72.5 Å²	72.5	6%	0.06	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-36.6	173.6	-79.5	174.6	171.4	147.1	0.7	113.4	D823 I897 E899 A905 G1094	D823-R901 IonicContact OD1-CZ 3.56Å; D823-R901 IonicContact OD1-NH1 2.72Å; D823-R901 IonicContact OD1-NH2 2.61Å; D823-R901 PolarHBondContact OD1-NH2 3.11Å; I897-R901 WeakPolarHBondContact O-CB 3.18Å; I897-R901 VanDerWaalsContact O-CG 3.27Å; I897-R901 WeakPolarHBondContact O-CG 3.16Å; I897-R901 PolarHBondContact O-N 3.22Å; E899-R901 VanDerWaalsContact C-N 3.31Å; E899-R901 PolarHBondContact O-N 3.48Å; R901-A905 WeakPolarHBondContact O-CB 3.29Å; R901-A905 PolarHBondContact O-N 2.9Å; R901-G1094 WeakPolarHBondContact CG-O 3.39Å; R901-G1094 PolarHBondContact NE-O 3.03Å
902	T	76.5	Confident	74.7	Confident	28 Å²	28	75.5 Å²	75.5	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-69.8	-42.9	178.1	-53.1	0	0	0	0	111.1	M898 E899 E900 A905 L906 R928	M898-T902 PolarHBondContact O-N 3.33Å; M898-T902 PolarHBondContact O-OG1 3.45Å; E899-T902 WeakPolarHBondContact O-CA 3.27Å; E899-T902 WeakPolarHBondContact O-CB 3.32Å; E899-T902 PolarHBondContact O-N 3.45Å; E900-T902 VanDerWaalsContact C-N 3.35Å; E900-T902 PolarHBondContact O-N 3.11Å; T902-A905 PolarHBondContact O-N 3.45Å; T902-L906 WeakPolarHBondContact O-CG 3.5Å; T902-L906 PolarHBondContact O-N 3.09Å; T902-L906 VanDerWaalsContact O-N 3.14Å; T902-R928 PolarHBondContact OG1-NH1 3.39Å; T902-R928 VanDerWaalsContact OG1-NH1 3.15Å; T902-R928 PolarHBondContact OG1-NH2 3.48Å
903	R	80.5	Confident	74.9	Confident	178 Å²	178	75 Å²	75	67%	0.672	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-47.3	174.8	-178.5	177.4	178.2	161.2	4.1	111	E899 E900 A905 L906 D907	E899-R903 PolarHBondContact O-N 3.02Å; E900-R903 PolarHBondContact O-N 3.3Å; R903-A905 PolarHBondContact O-N 3.41Å; R903-L906 WeakPolarHBondContact O-CB 3.5Å; R903-L906 PolarHBondContact O-N 2.83Å; R903-L906 VanDerWaalsContact O-N 3.16Å; R903-D907 PolarHBondContact O-N 2.78Å
904	L	77.5	Confident	75.1	Confident	40 Å²	40	75.5 Å²	75.5	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-56.8	-48.4	174.2	-177.9	62.9	0	0	0	111.1	E900 L906 D907 L908 K1095 V1097	E900-L904 WeakPolarHBondContact O-CB 3.49Å; E900-L904 PolarHBondContact O-N 3.16Å; L904-L906 PolarHBondContact O-N 3.31Å; L904-L906 VanDerWaalsContact O-N 3.16Å; L904-D907 PolarHBondContact O-N 3.22Å; L904-D907 VanDerWaalsContact O-N 3.15Å; L904-L908 HydrophobicContact CD1-CD1 4.09Å; L904-L908 HydrophobicContact CD1-CD2 4.08Å; L904-L908 HydrophobicContact CD1-CG 3.92Å; L904-L908 HydrophobicContact CG-CD1 4.03Å; L904-L908 HydrophobicContact CG-CG 4.18Å; L904-L908 WeakPolarHBondContact O-CB 3.19Å; L904-L908 VanDerWaalsContact O-CG 3.23Å; L904-L908 WeakPolarHBondContact O-CG 3.2Å; L904-L908 PolarHBondContact O-N 3.12Å; L904-K1095 HydrophobicContact CD2-CB 4.11Å; L904-K1095 HydrophobicContact CD2-CG 4.5Å; L904-V1097 HydrophobicContact CD2-CG2 4.22Å
905	A	73.7	Confident	75.2	Confident	4 Å²	4	77.2 Å²	77.2	3%	0.033	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-32.4	178.9	0	0	0	0	0	113.8	R901 T902 R903 L910 Y915 L921	R901-A905 WeakPolarHBondContact O-CB 3.29Å; R901-A905 PolarHBondContact O-N 2.9Å; T902-A905 PolarHBondContact O-N 3.45Å; R903-A905 PolarHBondContact O-N 3.41Å; A905-L910 HydrophobicContact CB-CD1 3.87Å; A905-Y915 HydrophobicContact CB-CD2 4.32Å; A905-Y915 HydrophobicContact CB-CE2 4.17Å; A905-L921 HydrophobicContact CB-CD1 4.1Å
906	L	77.7	Confident	75.1	Confident	128 Å²	128	76.3 Å²	76.3	67%	0.67	37%	0.372	S	S	*	.	H	α-helix	trans	-74	-51.1	172.9	-66.3	168.4	0	0	0	111.8	T902 R903 L904 L908 H909	T902-L906 WeakPolarHBondContact O-CG 3.5Å; T902-L906 PolarHBondContact O-N 3.09Å; T902-L906 VanDerWaalsContact O-N 3.14Å; R903-L906 WeakPolarHBondContact O-CB 3.5Å; R903-L906 PolarHBondContact O-N 2.83Å; R903-L906 VanDerWaalsContact O-N 3.16Å; L904-L906 PolarHBondContact O-N 3.31Å; L904-L906 VanDerWaalsContact O-N 3.16Å; L906-L908 PolarHBondContact O-N 3.27Å; L906-L908 VanDerWaalsContact O-N 3.13Å; L906-H909 PolarHBondContact O-N 3.46Å
907	D	79	Confident	75.1	Confident	100 Å²	100	74.8 Å²	74.8	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-54.1	-35.2	177.7	-67.5	-27.3	0	0	0	111.4	R903 L904 H909	R903-D907 PolarHBondContact O-N 2.78Å; L904-D907 PolarHBondContact O-N 3.22Å; L904-D907 VanDerWaalsContact O-N 3.15Å; D907-H909 VanDerWaalsContact C-N 3.3Å; D907-H909 PolarHBondContact O-N 3.16Å; D907-H909 PolarHBondContact O-ND1 3.06Å
908	L	73	Confident	75.1	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.3	179.8	-62.8	-168.4	0	0	0	115.7	P653 K654 L904 L906 L910 V1097	P653-L908 HydrophobicContact CB-CD1 3.99Å; P653-L908 HydrophobicContact CB-CD2 4.38Å; P653-L908 HydrophobicContact CG-CD1 3.61Å; P653-L908 HydrophobicContact CG-CD2 3.26Å; P653-L908 HydrophobicContact CG-CG 4.02Å; K654-L908 WeakPolarHBondContact CE-O 3.34Å; L904-L908 HydrophobicContact CD1-CD1 4.09Å; L904-L908 HydrophobicContact CD1-CD2 4.08Å; L904-L908 HydrophobicContact CD1-CG 3.92Å; L904-L908 HydrophobicContact CG-CD1 4.03Å; L904-L908 HydrophobicContact CG-CG 4.18Å; L904-L908 WeakPolarHBondContact O-CB 3.19Å; L904-L908 VanDerWaalsContact O-CG 3.23Å; L904-L908 WeakPolarHBondContact O-CG 3.2Å; L904-L908 PolarHBondContact O-N 3.12Å; L906-L908 PolarHBondContact O-N 3.27Å; L906-L908 VanDerWaalsContact O-N 3.13Å; L908-L910 VanDerWaalsContact C-N 3.29Å; L908-L910 HydrophobicContact CB-CG 4.25Å; L908-L910 PolarHBondContact O-N 2.88Å; L908-V1097 HydrophobicContact CD1-CB 4.34Å; L908-V1097 HydrophobicContact CD1-CG2 3.94Å
909	H	76.4	Confident	75.1	Confident	158 Å²	158	72.8 Å²	72.8	73%	0.731	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	50.4	179.5	-62.1	61.9	0	0	0	111.6	K654 L906 D907	K654-H909 PolarHBondContact NZ-O 3.07Å; L906-H909 PolarHBondContact O-N 3.46Å; D907-H909 VanDerWaalsContact C-N 3.3Å; D907-H909 PolarHBondContact O-N 3.16Å; D907-H909 PolarHBondContact O-ND1 3.06Å
910	L	72.6	Confident	75	Confident	26 Å²	26	67.2 Å²	67.2	14%	0.136	33%	0.326	C	S	.	.			trans	-71.4	127.7	174.9	-68.3	170.4	0	0	0	109.8	K654 A905 L908 E914 V1097 T1099	K654-L910 HydrophobicContact CD-CD2 3.76Å; K654-L910 HydrophobicContact CG-CD2 3.88Å; A905-L910 HydrophobicContact CB-CD1 3.87Å; L908-L910 VanDerWaalsContact C-N 3.29Å; L908-L910 HydrophobicContact CB-CG 4.25Å; L908-L910 PolarHBondContact O-N 2.88Å; L910-E914 HydrophobicContact CB-CB 4.35Å; L910-E914 HydrophobicContact CD2-CB 3.87Å; L910-V1097 HydrophobicContact CD1-CG1 4.25Å; L910-V1097 HydrophobicContact CD2-CG1 4.37Å; L910-T1099 HydrophobicContact CD2-CG2 4.29Å
911	S	76.3	Confident	74.8	Confident	56 Å²	56	62 Å²	62	39%	0.392	30%	0.302	S	S	.	.			trans	-64.8	154.1	168.3	62.9	0	0	0	0	110.5	R913 E914 Y915	S911-R913 PolarHBondContact O-N 3.07Å; S911-E914 WeakPolarHBondContact CB-OE2 3.45Å; S911-E914 PolarHBondContact N-OE2 3.32Å; S911-E914 PolarHBondContact O-N 2.71Å; S911-E914 VanDerWaalsContact OG-CG 3.31Å; S911-E914 WeakPolarHBondContact OG-CG 3.45Å; S911-E914 PolarHBondContact OG-N 2.57Å; S911-E914 PolarHBondContact OG-OE2 3.06Å; S911-Y915 PolarHBondContact O-N 3Å
912	S	73.3	Confident	74.8	Confident	100 Å²	100	62.2 Å²	62.2	70%	0.699	30%	0.304	S	S	*	.	H	α-helix	trans	-57.1	-21.6	-179.9	-38.7	0	0	0	0	113.6	L916	S912-L916 WeakPolarHBondContact O-CD1 3.29Å; S912-L916 VanDerWaalsContact O-CG 3.26Å; S912-L916 WeakPolarHBondContact O-CG 3.37Å; S912-L916 PolarHBondContact O-N 3.48Å
913	R	74.6	Confident	74.6	Confident	192 Å²	192	61.1 Å²	61.1	73%	0.725	30%	0.298	S	S	*	.	H	α-helix	trans	-77	-48.4	172.3	-177.3	176.9	177.9	167	1.8	112.1	S911 Y915 L916 Q917	S911-R913 PolarHBondContact O-N 3.07Å; R913-Y915 VanDerWaalsContact C-N 3.31Å; R913-Y915 PolarHBondContact O-N 3.1Å; R913-L916 PolarHBondContact O-N 2.95Å; R913-Q917 WeakPolarHBondContact O-CG 3.31Å; R913-Q917 PolarHBondContact O-N 2.9Å
914	E	71.8	Confident	74.3	Confident	45 Å²	45	52.9 Å²	52.9	21%	0.21	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-41.8	176.5	-69.6	164.2	124.6	0	0	111.1	K654 L910 S911 L916 Q917 T1099	K654-E914 WeakPolarHBondContact CD-OE1 3.47Å; K654-E914 VanDerWaalsContact NZ-CD 3.27Å; K654-E914 IonicContact NZ-OE1 3.44Å; K654-E914 PolarHBondContact NZ-OE1 2.97Å; K654-E914 IonicContact NZ-OE2 3.57Å; K654-E914 PolarHBondContact NZ-OE2 2.73Å; L910-E914 HydrophobicContact CB-CB 4.35Å; L910-E914 HydrophobicContact CD2-CB 3.87Å; S911-E914 WeakPolarHBondContact CB-OE2 3.45Å; S911-E914 PolarHBondContact N-OE2 3.32Å; S911-E914 PolarHBondContact O-N 2.71Å; S911-E914 VanDerWaalsContact OG-CG 3.31Å; S911-E914 WeakPolarHBondContact OG-CG 3.45Å; S911-E914 PolarHBondContact OG-N 2.57Å; S911-E914 PolarHBondContact OG-OE2 3.06Å; E914-L916 VanDerWaalsContact C-N 3.27Å; E914-L916 PolarHBondContact O-N 3.12Å; E914-Q917 PolarHBondContact O-N 3.33Å; E914-T1099 HydrophobicContact CB-CG2 3.98Å; E914-T1099 HydrophobicContact CG-CG2 4.43Å
915	Y	72.3	Confident	74	Confident	61 Å²	61	55.6 Å²	55.6	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-38.3	175.9	-172.4	-74.8	0	0	0	112.5	A905 S911 R913 Q917 L921	A905-Y915 HydrophobicContact CB-CD2 4.32Å; A905-Y915 HydrophobicContact CB-CE2 4.17Å; S911-Y915 PolarHBondContact O-N 3Å; R913-Y915 VanDerWaalsContact C-N 3.31Å; R913-Y915 PolarHBondContact O-N 3.1Å; Y915-Q917 VanDerWaalsContact C-N 3.32Å; Y915-L921 HydrophobicContact CD1-CB 4.39Å; Y915-L921 HydrophobicContact CD1-CD1 4.46Å; Y915-L921 HydrophobicContact CD2-CD1 3.86Å; Y915-L921 HydrophobicContact CE1-CB 3.92Å; Y915-L921 HydrophobicContact CE1-CD1 4.41Å; Y915-L921 HydrophobicContact CE2-CD1 3.83Å; Y915-L921 HydrophobicContact CE2-CD2 4.34Å; Y915-L921 HydrophobicContact CE2-CG 4.5Å; Y915-L921 HydrophobicContact CG-CD1 4.17Å
916	L	70.9	Confident	73.7	Confident	74 Å²	74	57.1 Å²	57.1	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-79.1	-12.4	178.1	-71.4	171.1	0	0	0	113.7	S912 R913 E914	S912-L916 WeakPolarHBondContact O-CD1 3.29Å; S912-L916 VanDerWaalsContact O-CG 3.26Å; S912-L916 WeakPolarHBondContact O-CG 3.37Å; S912-L916 PolarHBondContact O-N 3.48Å; R913-L916 PolarHBondContact O-N 2.95Å; E914-L916 VanDerWaalsContact C-N 3.27Å; E914-L916 PolarHBondContact O-N 3.12Å
917	Q	72.7	Confident	73.2	Confident	51 Å²	51	51.4 Å²	51.4	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-86.1	-16.7	177	-71.2	176.5	-74.8	0	0	112.8	W867 R913 E914 Y915	W867-Q917 PolarHBondContact NE1-O 3.14Å; R913-Q917 WeakPolarHBondContact O-CG 3.31Å; R913-Q917 PolarHBondContact O-N 2.9Å; E914-Q917 PolarHBondContact O-N 3.33Å; Y915-Q917 VanDerWaalsContact C-N 3.32Å
918	E	74.4	Confident	72.4	Confident	8 Å²	8	51 Å²	51	4%	0.037	24%	0.241	C	C	.	.			trans	-82.7	125.4	174.4	-166.8	-175.7	133.7	0	0	111.4	Q920 L921 L922	E918-Q920 PolarHBondContact O-N 2.93Å; E918-L921 HydrophobicContact CB-CB 4.31Å; E918-L921 HydrophobicContact CB-CD1 4.04Å; E918-L921 HydrophobicContact CB-CG 4.22Å; E918-L921 HydrophobicContact CG-CD1 4.44Å; E918-L921 HydrophobicContact CG-CG 4.32Å; E918-L922 PolarHBondContact O-N 3.33Å
919	P	73	Confident	71.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.1	-32.8	-172.9	23.6	-26.1	0	0	0	112.6	W819 L828 W867 L922 A923	W819-P919 HydrophobicContact CH2-CB 3.85Å; W819-P919 HydrophobicContact CZ3-CB 4.24Å; L828-P919 HydrophobicContact CD1-CB 4.47Å; L828-P919 HydrophobicContact CD1-CG 4.44Å; W867-P919 HydrophobicContact CD2-CB 4.21Å; W867-P919 HydrophobicContact CE3-CB 4.37Å; W867-P919 HydrophobicContact CH2-CB 3.58Å; W867-P919 HydrophobicContact CH2-CG 3.65Å; W867-P919 HydrophobicContact CZ2-CB 3.32Å; W867-P919 VanDerWaalsContact CZ2-CD 3.44Å; W867-P919 HydrophobicContact CZ2-CG 3.39Å; W867-P919 HydrophobicContact CZ3-CB 4.1Å; P919-L922 PolarHBondContact O-N 3.5Å; P919-A923 WeakPolarHBondContact O-CB 3.05Å; P919-A923 PolarHBondContact O-N 2.62Å
920	Q	75.5	Confident	70.2	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-46	-178.4	-169.5	65	47	0	0	110.3	I821 D823 E918 L922 A923 D924	I821-Q920 PolarHBondContact O-NE2 3.5Å; D823-Q920 VanDerWaalsContact N-OE1 3.07Å; E918-Q920 PolarHBondContact O-N 2.93Å; Q920-L922 VanDerWaalsContact C-N 3.29Å; Q920-L922 PolarHBondContact O-N 3.04Å; Q920-A923 PolarHBondContact O-N 3.2Å; Q920-D924 PolarHBondContact NE2-OD1 2.95Å; Q920-D924 PolarHBondContact NE2-OD2 2.95Å; Q920-D924 VanDerWaalsContact O-CB 3.25Å; Q920-D924 WeakPolarHBondContact O-CB 3.12Å; Q920-D924 VanDerWaalsContact O-CG 3.26Å; Q920-D924 PolarHBondContact O-N 3.28Å
921	L	75	Confident	69.1	Low	2 Å²	2	57.6 Å²	57.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-34	173.6	-63.6	177.1	0	0	0	112.5	A905 Y915 E918 R925	A905-L921 HydrophobicContact CB-CD1 4.1Å; Y915-L921 HydrophobicContact CD1-CB 4.39Å; Y915-L921 HydrophobicContact CD1-CD1 4.46Å; Y915-L921 HydrophobicContact CD2-CD1 3.86Å; Y915-L921 HydrophobicContact CE1-CB 3.92Å; Y915-L921 HydrophobicContact CE1-CD1 4.41Å; Y915-L921 HydrophobicContact CE2-CD1 3.83Å; Y915-L921 HydrophobicContact CE2-CD2 4.34Å; Y915-L921 HydrophobicContact CE2-CG 4.5Å; Y915-L921 HydrophobicContact CG-CD1 4.17Å; E918-L921 HydrophobicContact CB-CB 4.31Å; E918-L921 HydrophobicContact CB-CD1 4.04Å; E918-L921 HydrophobicContact CB-CG 4.22Å; E918-L921 HydrophobicContact CG-CD1 4.44Å; E918-L921 HydrophobicContact CG-CG 4.32Å; L921-R925 VanDerWaalsContact O-CB 3.28Å; L921-R925 WeakPolarHBondContact O-CB 3.14Å; L921-R925 PolarHBondContact O-N 3.01Å
922	L	74.2	Confident	67.7	Low	20 Å²	20	58.3 Å²	58.3	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-54	172.4	-178.8	61.6	0	0	0	111.8	W867 E918 P919 Q920 D924 R925 H926	W867-L922 HydrophobicContact CB-CD2 3.78Å; W867-L922 HydrophobicContact CG-CD2 3.85Å; E918-L922 PolarHBondContact O-N 3.33Å; P919-L922 PolarHBondContact O-N 3.5Å; Q920-L922 VanDerWaalsContact C-N 3.29Å; Q920-L922 PolarHBondContact O-N 3.04Å; L922-D924 VanDerWaalsContact C-N 3.32Å; L922-D924 PolarHBondContact O-N 3.41Å; L922-R925 WeakPolarHBondContact O-CB 2.96Å; L922-R925 PolarHBondContact O-N 3.39Å; L922-H926 PolarHBondContact O-CD2 3.07Å; L922-H926 VanDerWaalsContact O-CD2 3.25Å; L922-H926 PolarHBondContact O-N 3.38Å
923	A	73.4	Confident	66.4	Low	6 Å²	6	61.5 Å²	61.5	5%	0.05	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-43	179	0	0	0	0	0	112	W819 P919 Q920 R925 H926 R927	W819-A923 HydrophobicContact CH2-CB 3.8Å; W819-A923 HydrophobicContact CZ2-CB 3.78Å; P919-A923 WeakPolarHBondContact O-CB 3.05Å; P919-A923 PolarHBondContact O-N 2.62Å; Q920-A923 PolarHBondContact O-N 3.2Å; A923-R925 VanDerWaalsContact C-N 3.34Å; A923-R925 PolarHBondContact O-N 3.16Å; A923-H926 PolarHBondContact O-N 2.91Å; A923-R927 WeakPolarHBondContact O-CG 3.45Å; A923-R927 PolarHBondContact O-N 3.42Å
924	D	73.5	Confident	64.8	Low	4 Å²	4	62.5 Å²	62.5	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-72.5	-25.7	-178.7	-68.1	-18.8	0	0	0	112.5	M898 Q920 L922 H926 R927 R928	M898-D924 HydrophobicContact CE-CB 3.88Å; M898-D924 WeakPolarHBondContact CE-O 3.38Å; M898-D924 HydrophobicContact CG-CB 3.97Å; M898-D924 HydrophobicContact SD-CB 3.83Å; Q920-D924 PolarHBondContact NE2-OD1 2.95Å; Q920-D924 PolarHBondContact NE2-OD2 2.95Å; Q920-D924 VanDerWaalsContact O-CB 3.25Å; Q920-D924 WeakPolarHBondContact O-CB 3.12Å; Q920-D924 VanDerWaalsContact O-CG 3.26Å; Q920-D924 PolarHBondContact O-N 3.28Å; L922-D924 VanDerWaalsContact C-N 3.32Å; L922-D924 PolarHBondContact O-N 3.41Å; D924-H926 VanDerWaalsContact C-N 3.34Å; D924-H926 PolarHBondContact O-N 3.43Å; D924-R927 PolarHBondContact O-N 3.1Å; D924-R927 WeakPolarHBondContact OD1-CD 3.28Å; D924-R927 IonicContact OD1-CZ 3.63Å; D924-R927 IonicContact OD1-NH1 3.3Å; D924-R927 PolarHBondContact OD1-NH1 3.41Å; D924-R928 WeakPolarHBondContact O-CG 3.35Å; D924-R928 PolarHBondContact O-N 3.43Å
925	R	71.8	Confident	63.5	Low	97 Å²	97	67.3 Å²	67.3	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-38.3	169.1	-174.9	-171.3	-167.5	-165.7	8.6	112.3	L921 L922 A923 R929	L921-R925 VanDerWaalsContact O-CB 3.28Å; L921-R925 WeakPolarHBondContact O-CB 3.14Å; L921-R925 PolarHBondContact O-N 3.01Å; L922-R925 WeakPolarHBondContact O-CB 2.96Å; L922-R925 PolarHBondContact O-N 3.39Å; A923-R925 VanDerWaalsContact C-N 3.34Å; A923-R925 PolarHBondContact O-N 3.16Å; R925-R929 PolarHBondContact O-N 3.12Å
926	H	66.6	Low	61.8	Low	36 Å²	36	71.7 Å²	71.7	17%	0.167	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-39	179.1	-75.4	-116.4	0	0	0	110.4	D863 L922 A923 D924 R928 R929	D863-H926 IonicContact OD2-CE1 2.86Å; D863-H926 PolarHBondContact OD2-CE1 2.86Å; D863-H926 IonicContact OD2-ND1 3.78Å; D863-H926 IonicContact OD2-NE2 2.8Å; L922-H926 PolarHBondContact O-CD2 3.07Å; L922-H926 VanDerWaalsContact O-CD2 3.25Å; L922-H926 PolarHBondContact O-N 3.38Å; A923-H926 PolarHBondContact O-N 2.91Å; D924-H926 VanDerWaalsContact C-N 3.34Å; D924-H926 PolarHBondContact O-N 3.43Å; H926-R928 PolarHBondContact O-N 2.69Å; H926-R929 PolarHBondContact O-N 3.31Å
927	R	67	Low	59.8	Low	9 Å²	9	72 Å²	72	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-34.1	174.5	-68.8	161.6	170.5	164.3	3	113.9	I821 M898 A923 D924 H931	I821-R927 PolarHBondContact O-NH1 2.98Å; M898-R927 HydrophobicContact CE-CB 4.32Å; A923-R927 WeakPolarHBondContact O-CG 3.45Å; A923-R927 PolarHBondContact O-N 3.42Å; D924-R927 PolarHBondContact O-N 3.1Å; D924-R927 WeakPolarHBondContact OD1-CD 3.28Å; D924-R927 IonicContact OD1-CZ 3.63Å; D924-R927 IonicContact OD1-NH1 3.3Å; D924-R927 PolarHBondContact OD1-NH1 3.41Å; R927-H931 PolarHBondContact O-CD2 3.34Å
928	R	63.1	Low	58	Low	90 Å²	90	74.5 Å²	74.5	34%	0.34	38%	0.383	S	S	.	.	H	α-helix	trans	-69.9	-41	176.2	-70.3	-177	-157.9	165.7	16.8	113.8	M898 T902 D924 H926 L930 H931 A932	M898-R928 HydrophobicContact CE-CG 3.35Å; M898-R928 VanDerWaalsContact CE-NE 3.34Å; M898-R928 PolarHBondContact O-NH2 2.94Å; T902-R928 PolarHBondContact OG1-NH1 3.39Å; T902-R928 VanDerWaalsContact OG1-NH1 3.15Å; T902-R928 PolarHBondContact OG1-NH2 3.48Å; D924-R928 WeakPolarHBondContact O-CG 3.35Å; D924-R928 PolarHBondContact O-N 3.43Å; H926-R928 PolarHBondContact O-N 2.69Å; R928-L930 PolarHBondContact O-N 3.3Å; R928-L930 VanDerWaalsContact O-N 3.11Å; R928-H931 PolarHBondContact O-N 3.25Å; R928-A932 PolarHBondContact O-N 2.87Å
929	R	56	Low	55.9	Low	133 Å²	133	78.9 Å²	78.9	50%	0.502	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-21.9	-169.3	-83	175.8	157.6	170.9	-10.8	114.6	R925 H926	R925-R929 PolarHBondContact O-N 3.12Å; H926-R929 PolarHBondContact O-N 3.31Å
930	L	47.5	Very low	54.1	Low	95 Å²	95	86.9 Å²	86.9	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-87.9	-14.6	177.4	-72.8	164.7	0	0	0	114.1	R928	R928-L930 PolarHBondContact O-N 3.3Å; R928-L930 VanDerWaalsContact O-N 3.11Å
931	H	49.2	Very low	51.9	Low	126 Å²	126	91.4 Å²	91.4	58%	0.583	50%	0.495	S	S	*	.	H	α-helix	trans	-82.1	-50.3	170.9	-77	-79.4	0	0	0	111.1	R927 R928 H933 R934	R927-H931 PolarHBondContact O-CD2 3.34Å; R928-H931 PolarHBondContact O-N 3.25Å; H931-H933 PolarHBondContact O-N 3.23Å; H931-H933 VanDerWaalsContact O-N 3.15Å; H931-R934 WeakPolarHBondContact O-CB 3.06Å; H931-R934 PolarHBondContact O-N 3.15Å
932	A	46.5	Very low	49.7	Very low	71 Å²	71	96.8 Å²	96.8	59%	0.587	53%	0.533	S	S	*	.	H	α-helix	trans	-59.5	-29.6	-178	0	0	0	0	0	114	R928 R934	R928-A932 PolarHBondContact O-N 2.87Å; A932-R934 PolarHBondContact O-N 2.63Å
933	H	44.8	Very low	47.6	Very low	167 Å²	167	101.4 Å²	101.4	77%	0.773	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	8.1	177.2	-96.7	-57.1	0	0	0	115	H931	H931-H933 PolarHBondContact O-N 3.23Å; H931-H933 VanDerWaalsContact O-N 3.15Å
934	R	41.6	Very low	45.4	Very low	214 Å²	214	110.6 Å²	110.6	81%	0.808	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-15	-173.3	-147.9	170.7	-172.3	165.6	2.1	115.1	H931 A932	H931-R934 WeakPolarHBondContact O-CB 3.06Å; H931-R934 PolarHBondContact O-N 3.15Å; A932-R934 PolarHBondContact O-N 2.63Å
935	D	44.3	Very low	43.2	Very low	145 Å²	145	118.3 Å²	118.3	78%	0.775	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-27.5	-177.9	-59.6	-38.4	0	0	0	113	G937	D935-G937 PolarHBondContact O-N 3.36Å
936	D	36.1	Very low	40.9	Very low	154 Å²	154	119 Å²	119	82%	0.824	65%	0.653	S	S	*	*			trans	-88.8	95.1	175.6	-79.2	-39.9	0	0	0	112.2
937	G	30.5	Very low	39.1	Very low	79 Å²	79	123 Å²	123	81%	0.814	68%	0.682	S	S	*	*			trans	-109.4	49.9	-172.5	0	0	0	0	0	116.4	D935	D935-G937 PolarHBondContact O-N 3.36Å
938	S	34.1	Very low	37.1	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	72%	0.716	S	S	*	*			trans	-151.7	129.5	174.6	61.2	0	0	0	0	116.3
939	S	31.3	Very low	35.5	Very low	99 Å²	99	131 Å²	131	69%	0.692	74%	0.741	S	S	*	*			trans	58.6	124	152.2	54	0	0	0	0	121.7
940	D	33.4	Very low	34.1	Very low	169 Å²	169	131.3 Å²	131.3	90%	0.904	75%	0.752	S	S	*	*			trans	88.2	142.6	140.8	-61.9	-3.6	0	0	0	121.5
941	A	30.4	Very low	33.3	Very low	99 Å²	99	135.9 Å²	135.9	82%	0.818	77%	0.771	S	S	*	*			trans	-132.1	117.5	-170.6	0	0	0	0	0	111
942	S	28.2	Very low	32.2	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	78%	0.779	S	S	*	*			trans	-166.5	178.2	161.6	50.3	0	0	0	0	110.9
943	D	31	Very low	31.5	Very low	117 Å²	117	140.4 Å²	140.4	63%	0.626	79%	0.791	S	S	*	*			trans	58.4	92.9	171.2	-89	35.8	0	0	0	119.7	K945	D943-K945 PolarHBondContact O-N 2.8Å; D943-K945 VanDerWaalsContact O-N 3.12Å; D943-K945 IonicContact OD2-NZ 2.81Å; D943-K945 PolarHBondContact OD2-NZ 2.84Å
944	Q	27.7	Very low	30.8	Very low	199 Å²	199	138.6 Å²	138.6	93%	0.93	79%	0.791	S	S	*	*			trans	-55.5	106	146.9	-63.6	170.3	-16.1	0	0	110.5
945	K	27.1	Very low	30	Very low	166 Å²	166	135.2 Å²	135.2	72%	0.722	79%	0.79	S	S	*	*			trans	-148	135.9	161.5	-100.2	141.9	-165.9	164.3	0	111.4	D943 P947	D943-K945 PolarHBondContact O-N 2.8Å; D943-K945 VanDerWaalsContact O-N 3.12Å; D943-K945 IonicContact OD2-NZ 2.81Å; D943-K945 PolarHBondContact OD2-NZ 2.84Å; K945-P947 WeakPolarHBondContact O-CD 3.47Å
946	S	23.6	Very low	29.5	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	79%	0.791	S	S	*	*			trans	-69.7	123.3	175.9	-51.4	0	0	0	0	110.6	T948	S946-T948 PolarHBondContact O-N 3.06Å
947	P	27.9	Very low	28.9	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	79%	0.788	S	S	*	*			trans	-73.7	110	171.7	-14.6	30.4	0	0	0	109.9	K945 V949	K945-P947 WeakPolarHBondContact O-CD 3.47Å; P947-V949 PolarHBondContact O-N 2.85Å
948	T	24.9	Very low	28.8	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	78%	0.784	S	S	*	*			trans	-64.9	122.5	170.4	-48.7	0	0	0	0	108.9	S946 I950	S946-T948 PolarHBondContact O-N 3.06Å; T948-I950 VanDerWaalsContact C-N 3.35Å; T948-I950 HydrophobicContact CG2-CD1 4.42Å; T948-I950 HydrophobicContact CG2-CG1 4.32Å; T948-I950 PolarHBondContact O-N 3.22Å
949	V	29.8	Very low	28.3	Very low	144 Å²	144	140.7 Å²	140.7	87%	0.873	78%	0.782	S	S	*	*			trans	-76.9	87.3	-179.4	-175.8	0	0	0	0	110.2	P947	P947-V949 PolarHBondContact O-N 2.85Å
950	I	26.4	Very low	27.9	Very low	140 Å²	140	141.9 Å²	141.9	72%	0.718	79%	0.791	S	S	*	*			trans	-131	98.2	162.1	-57	176	0	0	0	107.1	T948	T948-I950 VanDerWaalsContact C-N 3.35Å; T948-I950 HydrophobicContact CG2-CD1 4.42Å; T948-I950 HydrophobicContact CG2-CG1 4.32Å; T948-I950 PolarHBondContact O-N 3.22Å
951	E	30.4	Very low	27.6	Very low	191 Å²	191	139 Å²	139	89%	0.893	78%	0.784	S	S	*	*			trans	-144.6	129.4	159.5	-126.2	163.6	-149.6	0	0	108
952	Q	25.8	Very low	27.4	Very low	163 Å²	163	143.2 Å²	143.2	76%	0.762	79%	0.787	S	S	*	*			trans	-87.4	144.5	-176.5	-66.2	168.6	-28.4	0	0	108.9	V954	Q952-V954 PolarHBondContact O-N 3.47Å
953	P	32	Very low	27.3	Very low	130 Å²	130	143 Å²	143	84%	0.844	78%	0.783	S	S	*	*			trans	-64.8	111.9	168.9	27.9	-32.3	0	0	0	108.8
954	V	30.7	Very low	27	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	79%	0.791	S	S	*	*			trans	-77.2	121.8	174.1	176.6	0	0	0	0	108.7	Q952 P956	Q952-V954 PolarHBondContact O-N 3.47Å; V954-P956 WeakPolarHBondContact O-CD 3.33Å
955	D	24.9	Very low	26.9	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	79%	0.788	S	S	*	*			trans	-65.3	118.6	173.4	-75.5	-50.1	0	0	0	111.6
956	P	33.2	Very low	26.7	Very low	125 Å²	125	139.6 Å²	139.6	81%	0.812	79%	0.792	S	S	*	*			trans	-100.9	84.3	169.5	19.3	1.9	0	0	0	108.9	V954 Y958	V954-P956 WeakPolarHBondContact O-CD 3.33Å; P956-Y958 PolarHBondContact O-N 3.14Å
957	V	24.2	Very low	26.9	Very low	124 Å²	124	143.2 Å²	143.2	75%	0.752	80%	0.796	S	S	*	*			trans	-68.9	118.3	170.8	-168.4	0	0	0	0	108.7
958	Y	26.9	Very low	26.7	Very low	185 Å²	185	145.9 Å²	145.9	73%	0.725	80%	0.798	S	S	*	*			trans	-171.3	143.3	134.4	-115	-146.9	0	0	0	118.4	P956	P956-Y958 PolarHBondContact O-N 3.14Å
959	K	24.9	Very low	26.8	Very low	163 Å²	163	148.1 Å²	148.1	71%	0.709	80%	0.798	S	S	*	*			trans	46.9	120.3	148.8	-72	-178.4	177.4	172.3	0	121.4
960	S	22.9	Very low	26.5	Very low	124 Å²	124	148.4 Å²	148.4	87%	0.867	79%	0.794	S	S	*	*			trans	-65.5	137.7	151.7	45.3	0	0	0	0	112.9
961	S	27	Very low	26.6	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	80%	0.797	S	S	*	*			trans	-153.1	121.6	160	54	0	0	0	0	109.1
962	Q	25.7	Very low	26.4	Very low	188 Å²	188	148.1 Å²	148.1	88%	0.879	79%	0.788	S	S	*	*			trans	-86.4	141	165.7	-60.9	-174.4	-93.1	0	0	109.3
963	P	27.1	Very low	26.7	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	79%	0.793	S	S	*	*				-111.4	148.8	117.4	-7.8	27.2	0	0	0	109.3
964	E	24.4	Very low	26.4	Very low	171 Å²	171	146.3 Å²	146.3	80%	0.799	79%	0.792	S	S	*	*			cis	71.1	105.6	44.6	-61.5	-163.8	158.4	0	0	113.7
965	D	25	Very low	26.5	Very low	160 Å²	160	146 Å²	146	86%	0.856	80%	0.797	S	S	*	*			trans	49.7	88.4	148.9	-58.7	-5.5	0	0	0	120.6
966	G	23.8	Very low	26.7	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	80%	0.798	S	S	*	*				65.1	121.2	118	0	0	0	0	0	120.9
967	E	26.1	Very low	26.6	Very low	188 Å²	188	146.2 Å²	146.2	88%	0.879	80%	0.799	S	S	*	*			trans	-150.7	176.6	138.7	-128.7	173.1	-154.3	0	0	113
968	H	23.9	Very low	26.9	Very low	175 Å²	175	146.3 Å²	146.3	81%	0.81	80%	0.803	S	S	*	*			trans	-114.4	106.4	-159.5	-156.4	74	0	0	0	111.7
969	F	27.2	Very low	27	Very low	169 Å²	169	142.7 Å²	142.7	74%	0.741	80%	0.804	S	S	*	*			trans	-113.6	111	178	-91.5	-94.7	0	0	0	113.2	E971	F969-E971 HydrophobicContact CD1-CG 4.37Å
970	D	24.2	Very low	27.4	Very low	150 Å²	150	142.5 Å²	142.5	80%	0.802	81%	0.81	S	S	*	*			trans	-109.2	86.7	179.8	-156.4	14.5	0	0	0	107.9
971	E	28.9	Very low	27.7	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	81%	0.81	S	S	*	*			trans	-111.1	152.4	-171.2	-90.4	-163.6	147.2	0	0	116.5	F969	F969-E971 HydrophobicContact CD1-CG 4.37Å
972	K	26.3	Very low	27.9	Very low	160 Å²	160	142.3 Å²	142.3	70%	0.696	81%	0.807	S	S	*	*			trans	-106.9	136.7	-179.4	-54.4	162.6	-170.1	154.1	0	108.9	S974	K972-S974 PolarHBondContact O-N 3.29Å
973	P	31.4	Very low	28	Very low	136 Å²	136	136.8 Å²	136.8	88%	0.883	80%	0.801	S	S	*	*			trans	-74.6	123.1	166.9	30.3	-32.1	0	0	0	110.3
974	S	26.8	Very low	28.2	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	80%	0.8	S	S	*	*			trans	-127.4	121.2	167.8	52.7	0	0	0	0	110.1	K972	K972-S974 PolarHBondContact O-N 3.29Å
975	S	31.4	Very low	28.4	Very low	123 Å²	123	137.9 Å²	137.9	86%	0.86	80%	0.8	S	S	*	*			trans	-126.8	134.5	166.1	53	0	0	0	0	109.2
976	S	30.4	Very low	28.5	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	79%	0.792	S	S	*	*			trans	-132.6	124.4	179.5	48.2	0	0	0	0	108.6
977	N	30.7	Very low	28.7	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	79%	0.793	S	S	*	*			trans	-74.1	148.8	-178.4	-64.9	-22.4	0	0	0	111.1
978	P	29.4	Very low	28.9	Very low	126 Å²	126	138.4 Å²	138.4	82%	0.818	80%	0.796	S	S	*	*			trans	-88.3	130.3	177.3	33.6	-32.7	0	0	0	112.4
979	S	29.4	Very low	29	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	79%	0.794	S	S	*	*			trans	-166.5	156.2	151.3	54.3	0	0	0	0	111.8
980	L	32.5	Very low	29.1	Very low	159 Å²	159	136.1 Å²	136.1	83%	0.832	79%	0.793	S	S	*	*			trans	72	82.8	166.1	-65.4	159.5	0	0	0	118.6
981	D	30.2	Very low	29.2	Very low	161 Å²	161	136 Å²	136	86%	0.861	79%	0.792	S	S	*	*				75.4	145.9	109.5	-155.2	17.4	0	0	0	121
982	G	31	Very low	29.1	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	79%	0.791	S	S	*	*			trans	83.9	96.3	157.5	0	0	0	0	0	120.2
983	G	27.8	Very low	29.2	Very low	72 Å²	72	129.8 Å²	129.8	74%	0.742	79%	0.793	S	S	*	*				91.8	116.2	129.2	0	0	0	0	0	120.9
984	D	31.9	Very low	29.1	Very low	134 Å²	134	131.7 Å²	131.7	72%	0.717	79%	0.79	S	S	*	*			trans	55.3	99.5	138.1	-63.9	-46.9	0	0	0	123.3
985	Q	28.2	Very low	29.1	Very low	171 Å²	171	130.6 Å²	130.6	80%	0.799	78%	0.779	S	S	*	*				68.5	125.2	113.2	-70.3	-179.9	74.5	0	0	122.8
986	A	27.9	Very low	29	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	78%	0.776	S	S	*	*			trans	88	110.6	134.6	0	0	0	0	0	121
987	D	27.7	Very low	28.9	Very low	156 Å²	156	133 Å²	133	83%	0.834	77%	0.768	S	S	*	*				50.9	114.4	128.1	-58.4	-5.4	0	0	0	121.5
988	E	29.9	Very low	28.8	Very low	199 Å²	199	134.9 Å²	134.9	93%	0.93	76%	0.763	S	S	*	*			trans	-141.8	158.5	136.5	-145.1	166.1	-152.5	0	0	111.5
989	K	26.3	Very low	28.7	Very low	179 Å²	179	137.3 Å²	137.3	78%	0.778	76%	0.763	S	S	*	*			trans	-126.5	-168.9	-166.5	-72.2	-178.5	175	176.1	0	112.1
990	T	29.6	Very low	28.7	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	76%	0.758	S	S	*	*			trans	98.5	116.5	161.4	-32.1	0	0	0	0	112.6
991	D	25.7	Very low	28.4	Very low	146 Å²	146	134 Å²	134	78%	0.781	76%	0.763	S	S	*	*			cis	87.9	148.8	32	-71.5	-52	0	0	0	116.5
992	S	27	Very low	28.3	Very low	106 Å²	106	130 Å²	130	74%	0.741	75%	0.753	S	S	*	*			trans	63.9	136.8	178.1	41.7	0	0	0	0	116.5
993	A	28.8	Very low	28.2	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	76%	0.758	S	S	*	*			cis	72.6	153.2	32.8	0	0	0	0	0	113.4
994	E	28.9	Very low	28.3	Very low	177 Å²	177	137.3 Å²	137.3	83%	0.827	76%	0.764	S	S	*	*			cis	-118.7	-148.7	-0.1	-63.9	179.7	83	0	0	109.5
995	T	27.3	Very low	28.1	Very low	95 Å²	95	134.3 Å²	134.3	58%	0.583	76%	0.764	S	S	*	*			cis	-160.8	165.6	1.3	-15.9	0	0	0	0	110
996	E	27.6	Very low	28.2	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	77%	0.766	S	S	*	*			trans	60.9	143.2	146.1	-80	155.6	-150.8	0	0	122.2
997	D	29.6	Very low	28.1	Very low	117 Å²	117	136.2 Å²	136.2	63%	0.626	77%	0.768	S	S	*	*			cis	-155.2	-178.8	-8.8	-151.9	-6.3	0	0	0	112.5
998	R	27.7	Very low	28.3	Very low	197 Å²	197	140.5 Å²	140.5	74%	0.743	77%	0.773	S	S	*	*			trans	-31.3	163.1	163.8	-72	155	-179.3	143.2	-1.9	116.9
999	E	28.5	Very low	28.1	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	76%	0.761	S	S	*	*			cis	-158	176.7	11.5	-120.3	150.3	-135.4	0	0	106.7
1000	G	27.7	Very low	28.2	Very low	63 Å²	63	138.4 Å²	138.4	65%	0.649	76%	0.764	S	S	*	*			cis	156.6	156.6	6.2	0	0	0	0	0	110.2
1001	S	27.5	Very low	28.3	Very low	135 Å²	135	141.6 Å²	141.6	94%	0.944	77%	0.768	S	S	*	*			trans	73.2	159.7	174.5	-155.4	0	0	0	0	118.9
1002	A	28	Very low	28.3	Very low	79 Å²	79	140.9 Å²	140.9	65%	0.653	76%	0.764	S	S	*	*			trans	-140.8	161.6	-175	0	0	0	0	0	111.4
1003	T	28.9	Very low	28.6	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	77%	0.773	S	S	*	*			trans	172.4	154.6	130.4	30.2	0	0	0	0	113.1
1004	N	28.8	Very low	28.6	Very low	161 Å²	161	144.4 Å²	144.4	86%	0.861	77%	0.768	S	S	*	*			trans	40.3	124.4	151.2	-67.3	-17.7	0	0	0	121.8
1005	G	29	Very low	28.8	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	77%	0.768	S	S	*	*				117.5	92.9	110.1	0	0	0	0	0	119.4
1006	N	29.2	Very low	29.2	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	77%	0.771	S	S	*	*			trans	66.2	156.8	152.8	-75.5	-20.3	0	0	0	120.7
1007	N	27.5	Very low	29.8	Very low	137 Å²	137	139.5 Å²	139.5	73%	0.733	76%	0.762	S	S	*	*			trans	71.9	109	161.5	-64.9	-32.8	0	0	0	119.9
1008	R	30.1	Very low	30.5	Very low	246 Å²	246	140.1 Å²	140.1	93%	0.928	76%	0.761	S	S	*	*			trans	38.8	91.7	135.8	-65.3	179.2	171.6	175.6	-2.7	117.1
1009	V	27.3	Very low	31.3	Very low	113 Å²	113	136 Å²	136	69%	0.685	75%	0.751	S	S	*	*			trans	-106.2	120.9	158	-174.7	0	0	0	0	110.4	F1011	V1009-F1011 HydrophobicContact CB-CD2 4.34Å; V1009-F1011 HydrophobicContact CB-CE2 4.03Å; V1009-F1011 HydrophobicContact CG1-CD2 3.74Å; V1009-F1011 HydrophobicContact CG1-CE2 3.43Å; V1009-F1011 VanDerWaalsContact CG1-CE2 3.43Å; V1009-F1011 HydrophobicContact CG1-CZ 4.03Å
1010	R	28.4	Very low	32.3	Very low	221 Å²	221	131.6 Å²	131.6	83%	0.834	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-79.8	120.8	168.1	174.5	-168.3	-163.8	159.2	2	106.8
1011	F	30.3	Very low	33.1	Very low	186 Å²	186	134.6 Å²	134.6	82%	0.816	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-100.8	131.3	177.2	-94.1	-81.1	0	0	0	111.8	V1009	V1009-F1011 HydrophobicContact CB-CD2 4.34Å; V1009-F1011 HydrophobicContact CB-CE2 4.03Å; V1009-F1011 HydrophobicContact CG1-CD2 3.74Å; V1009-F1011 HydrophobicContact CG1-CE2 3.43Å; V1009-F1011 VanDerWaalsContact CG1-CE2 3.43Å; V1009-F1011 HydrophobicContact CG1-CZ 4.03Å
1012	D	26.9	Very low	34.2	Very low	130 Å²	130	134.3 Å²	134.3	70%	0.695	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-86.1	164.4	-167.2	-76.2	-58.7	0	0	0	114.7
1013	I	32.1	Very low	35.2	Very low	179 Å²	179	136.4 Å²	136.4	92%	0.918	71%	0.707	S	S	*	*			trans	-99.1	96.5	176.9	-57.3	174.2	0	0	0	109.1
1014	S	30.1	Very low	35.9	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	70%	0.7	S	S	*	*			trans	-150.9	161.7	165.8	60.8	0	0	0	0	112.4	T1016	S1014-T1016 PolarHBondContact O-N 2.93Å
1015	S	32.5	Very low	36.5	Very low	119 Å²	119	136.6 Å²	136.6	83%	0.832	69%	0.689	S	S	*	*			trans	45.3	61.4	164.4	57.5	0	0	0	0	117.8
1016	T	36.2	Very low	37.5	Very low	105 Å²	105	136.4 Å²	136.4	64%	0.644	68%	0.681	S	S	*	*			trans	-121.4	124.6	149.7	40.8	0	0	0	0	109.6	S1014 E1018	S1014-T1016 PolarHBondContact O-N 2.93Å; T1016-E1018 PolarHBondContact O-N 3.47Å
1017	N	39.8	Very low	38.6	Very low	117 Å²	117	135.5 Å²	135.5	63%	0.626	67%	0.666	S	S	*	*			trans	-53.3	128.5	-164.6	-110.5	-19.4	0	0	0	113.7	E1019 T1020 K1021	N1017-E1019 PolarHBondContact O-N 3Å; N1017-T1020 WeakPolarHBondContact CB-OG1 3.34Å; N1017-T1020 PolarHBondContact O-N 2.93Å; N1017-K1021 PolarHBondContact O-N 2.86Å
1018	E	44.1	Very low	39.8	Very low	129 Å²	129	134.1 Å²	134.1	60%	0.603	66%	0.658	S	S	*	*	H	α-helix	trans	-53.4	-41.6	171.8	-94.4	-120.9	133.8	0	0	111.3	T1016 T1020 K1021 K1022	T1016-E1018 PolarHBondContact O-N 3.47Å; E1018-T1020 VanDerWaalsContact C-N 3.28Å; E1018-T1020 PolarHBondContact O-N 2.89Å; E1018-K1021 PolarHBondContact O-N 3.18Å; E1018-K1022 WeakPolarHBondContact O-CB 2.99Å; E1018-K1022 PolarHBondContact O-N 2.83Å; E1018-K1022 WeakPolarHBondContact OE2-CE 3.45Å; E1018-K1022 IonicContact OE2-NZ 2.64Å; E1018-K1022 PolarHBondContact OE2-NZ 3.21Å
1019	E	45.2	Very low	41.5	Very low	111 Å²	111	127 Å²	127	52%	0.519	64%	0.638	S	S	.	*	H	α-helix	trans	-54.8	-42.3	175.2	-77.5	-139.1	123.2	0	0	112.6	N1017 K1021 K1022 K1023	N1017-E1019 PolarHBondContact O-N 3Å; E1019-K1021 VanDerWaalsContact C-N 3.33Å; E1019-K1021 PolarHBondContact O-N 2.84Å; E1019-K1022 PolarHBondContact O-N 3.4Å; E1019-K1023 HydrophobicContact CB-CD 4.43Å; E1019-K1023 WeakPolarHBondContact O-CB 3.31Å; E1019-K1023 WeakPolarHBondContact O-CG 3.2Å; E1019-K1023 PolarHBondContact O-N 3.48Å; E1019-K1023 IonicContact OE1-NZ 2.7Å; E1019-K1023 PolarHBondContact OE1-NZ 3.21Å; E1019-K1023 IonicContact OE2-NZ 3.05Å; E1019-K1023 PolarHBondContact OE2-NZ 2.98Å
1020	T	48.8	Very low	43.4	Very low	83 Å²	83	130.3 Å²	130.3	51%	0.509	64%	0.638	S	S	.	*	H	α-helix	trans	-70.7	-33.7	-176.9	-37.7	0	0	0	0	111	N1017 E1018 K1024	N1017-T1020 WeakPolarHBondContact CB-OG1 3.34Å; N1017-T1020 PolarHBondContact O-N 2.93Å; E1018-T1020 VanDerWaalsContact C-N 3.28Å; E1018-T1020 PolarHBondContact O-N 2.89Å; T1020-K1024 WeakPolarHBondContact O-CB 3.44Å; T1020-K1024 PolarHBondContact O-N 2.8Å
1021	K	43.9	Very low	45.2	Very low	127 Å²	127	123.6 Å²	123.6	55%	0.552	62%	0.617	S	S	*	*	H	α-helix	trans	-68.5	-47.9	170.6	-73.9	177.4	179.9	167.1	0	111.5	N1017 E1018 E1019 K1023 K1024 F1025	N1017-K1021 PolarHBondContact O-N 2.86Å; E1018-K1021 PolarHBondContact O-N 3.18Å; E1019-K1021 VanDerWaalsContact C-N 3.33Å; E1019-K1021 PolarHBondContact O-N 2.84Å; K1021-K1023 PolarHBondContact O-N 2.6Å; K1021-K1024 PolarHBondContact O-N 2.86Å; K1021-F1025 PolarHBondContact O-N 3.08Å
1022	K	50.9	Low	47.1	Very low	128 Å²	128	117.5 Å²	117.5	56%	0.557	59%	0.589	S	S	*	*	H	α-helix	trans	-61.1	-42.9	176.8	-78.4	168.9	172	163.4	0	112.1	E1018 E1019 F1025 A1026	E1018-K1022 WeakPolarHBondContact O-CB 2.99Å; E1018-K1022 PolarHBondContact O-N 2.83Å; E1018-K1022 WeakPolarHBondContact OE2-CE 3.45Å; E1018-K1022 IonicContact OE2-NZ 2.64Å; E1018-K1022 PolarHBondContact OE2-NZ 3.21Å; E1019-K1022 PolarHBondContact O-N 3.4Å; K1022-F1025 PolarHBondContact O-N 2.78Å; K1022-A1026 VanDerWaalsContact O-CB 3.31Å; K1022-A1026 WeakPolarHBondContact O-CB 3.49Å; K1022-A1026 PolarHBondContact O-N 2.99Å
1023	K	50	Low	49.4	Very low	124 Å²	124	115 Å²	115	54%	0.539	58%	0.579	S	S	.	*	H	α-helix	trans	-67	-35.4	176	-72.1	166.2	-179.5	170.1	0	112.2	E1019 K1021 R1027	E1019-K1023 HydrophobicContact CB-CD 4.43Å; E1019-K1023 WeakPolarHBondContact O-CB 3.31Å; E1019-K1023 WeakPolarHBondContact O-CG 3.2Å; E1019-K1023 PolarHBondContact O-N 3.48Å; E1019-K1023 IonicContact OE1-NZ 2.7Å; E1019-K1023 PolarHBondContact OE1-NZ 3.21Å; E1019-K1023 IonicContact OE2-NZ 3.05Å; E1019-K1023 PolarHBondContact OE2-NZ 2.98Å; K1021-K1023 PolarHBondContact O-N 2.6Å; K1023-R1027 WeakPolarHBondContact O-CB 3.15Å; K1023-R1027 PolarHBondContact O-N 3.39Å
1024	K	42.7	Very low	51.4	Low	149 Å²	149	114.5 Å²	114.5	65%	0.648	57%	0.566	S	S	*	*	H	α-helix	trans	-69	-44.1	170.1	-84	-170.8	171.4	-176.9	0	112.6	T1020 K1021 R1027 L1028	T1020-K1024 WeakPolarHBondContact O-CB 3.44Å; T1020-K1024 PolarHBondContact O-N 2.8Å; K1021-K1024 PolarHBondContact O-N 2.86Å; K1024-R1027 PolarHBondContact O-N 2.77Å; K1024-L1028 WeakPolarHBondContact O-CG 3.42Å; K1024-L1028 PolarHBondContact O-N 2.61Å
1025	F	40.9	Very low	53.6	Low	148 Å²	148	116 Å²	116	65%	0.649	56%	0.56	S	S	*	*	H	α-helix	trans	-63.2	-51.9	177	-101.7	-93.3	0	0	0	112.7	K1021 K1022 R1027 L1028 D1029	K1021-F1025 PolarHBondContact O-N 3.08Å; K1022-F1025 PolarHBondContact O-N 2.78Å; F1025-R1027 PolarHBondContact O-N 2.75Å; F1025-R1027 VanDerWaalsContact O-N 3.16Å; F1025-L1028 WeakPolarHBondContact O-CB 3.45Å; F1025-L1028 PolarHBondContact O-N 2.83Å; F1025-D1029 PolarHBondContact O-N 3.44Å
1026	A	50.7	Low	55.8	Low	65 Å²	65	112.9 Å²	112.9	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-26.7	-179.4	0	0	0	0	0	113.5	K1022 R1030	K1022-A1026 VanDerWaalsContact O-CB 3.31Å; K1022-A1026 WeakPolarHBondContact O-CB 3.49Å; K1022-A1026 PolarHBondContact O-N 2.99Å; A1026-R1030 PolarHBondContact O-N 2.86Å
1027	R	52.4	Low	58	Low	137 Å²	137	111.9 Å²	111.9	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-73.2	-38.7	172.8	-175	173	169.8	-173.4	-4.3	112.2	K1023 K1024 F1025 R1030 E1031	K1023-R1027 WeakPolarHBondContact O-CB 3.15Å; K1023-R1027 PolarHBondContact O-N 3.39Å; K1024-R1027 PolarHBondContact O-N 2.77Å; F1025-R1027 PolarHBondContact O-N 2.75Å; F1025-R1027 VanDerWaalsContact O-N 3.16Å; R1027-R1030 PolarHBondContact O-N 2.84Å; R1027-E1031 IonicContact NE-OE1 3.77Å; R1027-E1031 PolarHBondContact NE-OE1 3.43Å; R1027-E1031 IonicContact NH2-OE1 3.32Å; R1027-E1031 PolarHBondContact O-N 2.93Å
1028	L	53.5	Low	60.1	Low	109 Å²	109	107 Å²	107	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-43.6	177.8	-71.9	164.3	0	0	0	112	K1024 F1025 R1030 E1031 K1032	K1024-L1028 WeakPolarHBondContact O-CG 3.42Å; K1024-L1028 PolarHBondContact O-N 2.61Å; F1025-L1028 WeakPolarHBondContact O-CB 3.45Å; F1025-L1028 PolarHBondContact O-N 2.83Å; L1028-R1030 PolarHBondContact O-N 3.28Å; L1028-E1031 PolarHBondContact O-N 3.1Å; L1028-K1032 PolarHBondContact O-N 2.85Å
1029	D	64.6	Low	62	Low	97 Å²	97	100.8 Å²	100.8	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-40.4	177.9	-74	-41	0	0	0	112.3	F1025 E1031 K1032 V1033	F1025-D1029 PolarHBondContact O-N 3.44Å; D1029-E1031 VanDerWaalsContact C-N 3.27Å; D1029-E1031 PolarHBondContact O-N 3.05Å; D1029-K1032 PolarHBondContact O-N 3.05Å; D1029-K1032 VanDerWaalsContact O-N 3.16Å; D1029-V1033 WeakPolarHBondContact O-CG2 3.31Å; D1029-V1033 PolarHBondContact O-N 2.88Å
1030	R	67	Low	64	Low	182 Å²	182	99.7 Å²	99.7	69%	0.687	47%	0.466	S	S	*	.	H	α-helix	trans	-62.6	-33.8	176.1	-177.6	175.9	-84.7	-168.1	-5.2	112.3	A1026 R1027 L1028 R1034	A1026-R1030 PolarHBondContact O-N 2.86Å; R1027-R1030 PolarHBondContact O-N 2.84Å; L1028-R1030 PolarHBondContact O-N 3.28Å; R1030-R1034 WeakPolarHBondContact O-CB 3.43Å; R1030-R1034 VanDerWaalsContact O-CG 3.31Å; R1030-R1034 WeakPolarHBondContact O-CG 3.46Å; R1030-R1034 PolarHBondContact O-N 2.96Å; R1030-R1034 VanDerWaalsContact O-N 3.16Å
1031	E	67.3	Low	65.9	Low	80 Å²	80	101.4 Å²	101.4	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-74.2	-35.9	173.7	-71.8	-179.9	-154.8	0	0	112.5	R1027 L1028 D1029 K1035	R1027-E1031 IonicContact NE-OE1 3.77Å; R1027-E1031 PolarHBondContact NE-OE1 3.43Å; R1027-E1031 IonicContact NH2-OE1 3.32Å; R1027-E1031 PolarHBondContact O-N 2.93Å; L1028-E1031 PolarHBondContact O-N 3.1Å; D1029-E1031 VanDerWaalsContact C-N 3.27Å; D1029-E1031 PolarHBondContact O-N 3.05Å; E1031-K1035 WeakPolarHBondContact O-CG 3.39Å; E1031-K1035 PolarHBondContact O-N 2.82Å; E1031-K1035 VanDerWaalsContact O-N 3.12Å
1032	K	70.7	Confident	68	Low	57 Å²	57	95.4 Å²	95.4	25%	0.248	44%	0.44	C	S	.	.	H	α-helix	trans	-63	-51.1	173	-177.2	171.7	-177.9	160.5	0	111.6	L1028 D1029 R1034 K1035 M1036 N1072 D1075	L1028-K1032 PolarHBondContact O-N 2.85Å; D1029-K1032 PolarHBondContact O-N 3.05Å; D1029-K1032 VanDerWaalsContact O-N 3.16Å; K1032-R1034 VanDerWaalsContact C-N 3.31Å; K1032-R1034 PolarHBondContact O-N 3.1Å; K1032-K1035 PolarHBondContact O-N 3.15Å; K1032-K1035 VanDerWaalsContact O-N 3.11Å; K1032-M1036 HydrophobicContact CD-CE 4.48Å; K1032-M1036 HydrophobicContact CG-CE 4.37Å; K1032-M1036 HydrophobicContact CG-SD 3.93Å; K1032-M1036 WeakPolarHBondContact O-CG 3.5Å; K1032-M1036 PolarHBondContact O-N 2.68Å; K1032-N1072 WeakPolarHBondContact CD-OD1 2.94Å; K1032-N1072 WeakPolarHBondContact CE-OD1 3.45Å; K1032-N1072 PolarHBondContact NZ-OD1 3.14Å; K1032-D1075 WeakPolarHBondContact CE-OD2 3.4Å; K1032-D1075 IonicContact NZ-OD2 3.32Å; K1032-D1075 PolarHBondContact NZ-OD2 3.36Å
1033	V	75	Confident	69.9	Low	78 Å²	78	89.5 Å²	89.5	47%	0.473	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-41.2	177.7	172.2	0	0	0	0	111.4	D1029 K1035 M1036 N1037	D1029-V1033 WeakPolarHBondContact O-CG2 3.31Å; D1029-V1033 PolarHBondContact O-N 2.88Å; V1033-K1035 PolarHBondContact O-N 3.26Å; V1033-M1036 PolarHBondContact O-N 3Å; V1033-N1037 WeakPolarHBondContact O-CB 3.47Å; V1033-N1037 VanDerWaalsContact O-CG 3.25Å; V1033-N1037 PolarHBondContact O-N 3.3Å; V1033-N1037 PolarHBondContact O-OD1 3.09Å
1034	R	74	Confident	71.9	Confident	169 Å²	169	88.8 Å²	88.8	64%	0.638	41%	0.413	S	S	*	.	H	α-helix	trans	-57.7	-48.1	173.5	-81.9	176.1	170.1	-167.2	-5.1	111.8	R1030 K1032 N1037 T1038	R1030-R1034 WeakPolarHBondContact O-CB 3.43Å; R1030-R1034 VanDerWaalsContact O-CG 3.31Å; R1030-R1034 WeakPolarHBondContact O-CG 3.46Å; R1030-R1034 PolarHBondContact O-N 2.96Å; R1030-R1034 VanDerWaalsContact O-N 3.16Å; K1032-R1034 VanDerWaalsContact C-N 3.31Å; K1032-R1034 PolarHBondContact O-N 3.1Å; R1034-N1037 PolarHBondContact O-N 2.87Å; R1034-T1038 WeakPolarHBondContact O-CG2 3.49Å; R1034-T1038 PolarHBondContact O-N 3.15Å
1035	K	74.6	Confident	74.1	Confident	121 Å²	121	82.4 Å²	82.4	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-67.6	-33.8	179.5	-70.9	174.9	-179.8	174.8	0	112.8	E1031 K1032 V1033 T1038 A1039 Y1076	E1031-K1035 WeakPolarHBondContact O-CG 3.39Å; E1031-K1035 PolarHBondContact O-N 2.82Å; E1031-K1035 VanDerWaalsContact O-N 3.12Å; K1032-K1035 PolarHBondContact O-N 3.15Å; K1032-K1035 VanDerWaalsContact O-N 3.11Å; V1033-K1035 PolarHBondContact O-N 3.26Å; K1035-T1038 PolarHBondContact O-N 2.95Å; K1035-T1038 PolarHBondContact O-OG1 3.4Å; K1035-A1039 PolarHBondContact O-N 3.09Å; K1035-A1039 VanDerWaalsContact O-N 3.17Å; K1035-Y1076 HydrophobicContact CB-CD2 4.1Å; K1035-Y1076 HydrophobicContact CB-CE2 4.39Å; K1035-Y1076 VanDerWaalsContact O-CD2 3.25Å; K1035-Y1076 WeakPolarHBondContact O-CD2 3.2Å; K1035-Y1076 WeakPolarHBondContact O-CE2 3.49Å
1036	M	79.3	Confident	76.5	Confident	54 Å²	54	75.3 Å²	75.3	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-46.5	172.6	-73.2	170.4	147.5	0	0	111.4	K1032 V1033 T1038 A1039 M1040 D1075	K1032-M1036 HydrophobicContact CD-CE 4.48Å; K1032-M1036 HydrophobicContact CG-CE 4.37Å; K1032-M1036 HydrophobicContact CG-SD 3.93Å; K1032-M1036 WeakPolarHBondContact O-CG 3.5Å; K1032-M1036 PolarHBondContact O-N 2.68Å; V1033-M1036 PolarHBondContact O-N 3Å; M1036-T1038 PolarHBondContact O-N 2.97Å; M1036-A1039 PolarHBondContact O-N 3.21Å; M1036-A1039 VanDerWaalsContact O-N 3.16Å; M1036-M1040 WeakPolarHBondContact O-CG 3.13Å; M1036-M1040 PolarHBondContact O-N 2.88Å; M1036-D1075 HydrophobicContact CE-CB 3.63Å
1037	N	82.9	Confident	78.5	Confident	84 Å²	84	75.6 Å²	75.6	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-26.7	178.1	-68.9	-0.2	0	0	0	113.4	V1033 R1034 K1041	V1033-N1037 WeakPolarHBondContact O-CB 3.47Å; V1033-N1037 VanDerWaalsContact O-CG 3.25Å; V1033-N1037 PolarHBondContact O-N 3.3Å; V1033-N1037 PolarHBondContact O-OD1 3.09Å; R1034-N1037 PolarHBondContact O-N 2.87Å; N1037-K1041 WeakPolarHBondContact O-CG 3.3Å; N1037-K1041 PolarHBondContact O-N 3.48Å
1038	T	83.1	Confident	80.4	Confident	14 Å²	14	76.3 Å²	76.3	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-79.6	-37.5	175.2	62	0	0	0	0	112.2	S885 T886 R1034 K1035 M1036 L1042	S885-T1038 WeakPolarHBondContact O-CG2 3.02Å; T886-T1038 WeakPolarHBondContact O-CB 3.33Å; R1034-T1038 WeakPolarHBondContact O-CG2 3.49Å; R1034-T1038 PolarHBondContact O-N 3.15Å; K1035-T1038 PolarHBondContact O-N 2.95Å; K1035-T1038 PolarHBondContact O-OG1 3.4Å; M1036-T1038 PolarHBondContact O-N 2.97Å; T1038-L1042 WeakPolarHBondContact O-CB 3.12Å; T1038-L1042 PolarHBondContact O-N 3.42Å
1039	A	85.5	Confident	82.2	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-42.3	169.8	0	0	0	0	0	112.4	K1035 M1036 L1042 N1043 Y1076 V1079 L1080	K1035-A1039 PolarHBondContact O-N 3.09Å; K1035-A1039 VanDerWaalsContact O-N 3.17Å; M1036-A1039 PolarHBondContact O-N 3.21Å; M1036-A1039 VanDerWaalsContact O-N 3.16Å; A1039-L1042 PolarHBondContact O-N 2.93Å; A1039-N1043 WeakPolarHBondContact O-CB 3.35Å; A1039-N1043 PolarHBondContact O-N 2.97Å; A1039-Y1076 HydrophobicContact CB-CD2 3.83Å; A1039-Y1076 HydrophobicContact CB-CE1 4.43Å; A1039-Y1076 HydrophobicContact CB-CE2 3.7Å; A1039-Y1076 HydrophobicContact CB-CG 4.28Å; A1039-V1079 HydrophobicContact CB-CB 4.06Å; A1039-V1079 HydrophobicContact CB-CG1 3.7Å; A1039-L1080 HydrophobicContact CB-CB 4.3Å
1040	M	87.4	Confident	83.5	Confident	88 Å²	88	70 Å²	70	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-54.9	177.4	-71.9	-178.9	71	0	0	111.7	M1036 L1042 N1043 E1044 V1079	M1036-M1040 WeakPolarHBondContact O-CG 3.13Å; M1036-M1040 PolarHBondContact O-N 2.88Å; M1040-L1042 PolarHBondContact O-N 2.95Å; M1040-N1043 PolarHBondContact O-N 2.99Å; M1040-N1043 VanDerWaalsContact O-N 3.09Å; M1040-E1044 WeakPolarHBondContact O-CG 3.26Å; M1040-E1044 PolarHBondContact O-N 3.01Å; M1040-V1079 HydrophobicContact CB-CG1 4.31Å; M1040-V1079 HydrophobicContact CG-CG1 3.43Å; M1040-V1079 VanDerWaalsContact CG-CG1 3.43Å
1041	K	87.6	Confident	84.4	Confident	119 Å²	119	66 Å²	66	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-33.6	-179.2	-73.5	-177.5	172.1	-163.5	0	113.7	T886 N1037 E1044 A1045	T886-K1041 HydrophobicContact CG2-CB 4.13Å; T886-K1041 HydrophobicContact CG2-CD 3.69Å; N1037-K1041 WeakPolarHBondContact O-CG 3.3Å; N1037-K1041 PolarHBondContact O-N 3.48Å; K1041-E1044 WeakPolarHBondContact CA-OE2 3.06Å; K1041-A1045 PolarHBondContact O-N 2.95Å
1042	L	88.1	Confident	85.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-73	-41.4	176.1	-176.9	56.1	0	0	0	111.2	I820 F882 Y890 T1038 A1039 M1040 A1045 I1046 L1080	I820-L1042 HydrophobicContact CD1-CD1 4.34Å; I820-L1042 HydrophobicContact CD1-CD2 3.84Å; F882-L1042 HydrophobicContact CE1-CD1 4.46Å; F882-L1042 HydrophobicContact CE2-CD1 4.35Å; F882-L1042 HydrophobicContact CZ-CD1 3.97Å; Y890-L1042 HydrophobicContact CE2-CD2 4.04Å; T1038-L1042 WeakPolarHBondContact O-CB 3.12Å; T1038-L1042 PolarHBondContact O-N 3.42Å; A1039-L1042 PolarHBondContact O-N 2.93Å; M1040-L1042 PolarHBondContact O-N 2.95Å; L1042-A1045 PolarHBondContact O-N 3.04Å; L1042-I1046 HydrophobicContact CD1-CD1 4.33Å; L1042-I1046 HydrophobicContact CG-CD1 4.1Å; L1042-I1046 WeakPolarHBondContact O-CD1 3.25Å; L1042-I1046 VanDerWaalsContact O-CG1 3.22Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.12Å; L1042-I1046 PolarHBondContact O-N 3.19Å; L1042-L1080 HydrophobicContact CB-CD1 4.02Å; L1042-L1080 HydrophobicContact CD2-CD1 3.49Å; L1042-L1080 VanDerWaalsContact CD2-CD1 3.49Å; L1042-L1080 HydrophobicContact CG-CD1 3.65Å
1043	N	91.8	Very high	86.4	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-39.8	174.2	-172.4	4.2	0	0	0	112.3	A1039 M1040 A1045 I1046 K1047 V1079 E1082	A1039-N1043 WeakPolarHBondContact O-CB 3.35Å; A1039-N1043 PolarHBondContact O-N 2.97Å; M1040-N1043 PolarHBondContact O-N 2.99Å; M1040-N1043 VanDerWaalsContact O-N 3.09Å; N1043-A1045 PolarHBondContact O-N 2.98Å; N1043-I1046 PolarHBondContact O-N 3.21Å; N1043-K1047 PolarHBondContact ND2-NZ 3.15Å; N1043-K1047 WeakPolarHBondContact O-CB 3.46Å; N1043-K1047 WeakPolarHBondContact O-CG 3.5Å; N1043-K1047 PolarHBondContact O-N 2.93Å; N1043-K1047 WeakPolarHBondContact OD1-CE 3.41Å; N1043-K1047 PolarHBondContact OD1-NZ 3.31Å; N1043-V1079 WeakPolarHBondContact CB-O 3.49Å; N1043-V1079 PolarHBondContact ND2-O 2.73Å; N1043-E1082 PolarHBondContact ND2-N 3.07Å; N1043-E1082 PolarHBondContact ND2-O 3.13Å
1044	E	90.9	Very high	87.3	Confident	109 Å²	109	62.8 Å²	62.8	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-54.6	-49.9	174.2	-74.9	164.4	177.9	0	0	111.4	M1040 K1041 I1046 K1047 E1048	M1040-E1044 WeakPolarHBondContact O-CG 3.26Å; M1040-E1044 PolarHBondContact O-N 3.01Å; K1041-E1044 WeakPolarHBondContact CA-OE2 3.06Å; E1044-I1046 PolarHBondContact O-N 2.77Å; E1044-K1047 PolarHBondContact O-N 3.26Å; E1044-E1048 PolarHBondContact O-N 3.49Å
1045	A	89.4	Confident	88.2	Confident	14 Å²	14	54.8 Å²	54.8	12%	0.116	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-30	177	0	0	0	0	0	113.9	F882 K1041 L1042 N1043	F882-A1045 HydrophobicContact CE1-CB 4.12Å; F882-A1045 HydrophobicContact CZ-CB 3.66Å; K1041-A1045 PolarHBondContact O-N 2.95Å; L1042-A1045 PolarHBondContact O-N 3.04Å; N1043-A1045 PolarHBondContact O-N 2.98Å
1046	I	91.9	Very high	89.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-45	172.2	-68.5	162.5	0	0	0	110.1	W818 L1042 N1043 E1044 E1048 K1049 S1050 I1056 L1080 L1084	W818-I1046 HydrophobicContact CD2-CG1 3.8Å; W818-I1046 HydrophobicContact CE3-CG1 4.08Å; W818-I1046 HydrophobicContact CG-CG1 4.31Å; W818-I1046 HydrophobicContact CH2-CG1 4.17Å; W818-I1046 HydrophobicContact CZ2-CB 4.28Å; W818-I1046 HydrophobicContact CZ2-CG1 3.93Å; W818-I1046 HydrophobicContact CZ3-CG1 4.25Å; L1042-I1046 HydrophobicContact CD1-CD1 4.33Å; L1042-I1046 HydrophobicContact CG-CD1 4.1Å; L1042-I1046 WeakPolarHBondContact O-CD1 3.25Å; L1042-I1046 VanDerWaalsContact O-CG1 3.22Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.12Å; L1042-I1046 PolarHBondContact O-N 3.19Å; N1043-I1046 PolarHBondContact O-N 3.21Å; E1044-I1046 PolarHBondContact O-N 2.77Å; I1046-E1048 VanDerWaalsContact C-N 3.34Å; I1046-E1048 PolarHBondContact O-N 2.96Å; I1046-K1049 PolarHBondContact O-N 2.87Å; I1046-S1050 WeakPolarHBondContact O-CA 3.32Å; I1046-S1050 VanDerWaalsContact O-CB 3.23Å; I1046-S1050 WeakPolarHBondContact O-CB 3.38Å; I1046-S1050 PolarHBondContact O-N 3.06Å; I1046-I1056 HydrophobicContact CG2-CD1 4.18Å; I1046-I1056 HydrophobicContact CG2-CG2 4.29Å; I1046-L1080 HydrophobicContact CD1-CD1 4.37Å; I1046-L1084 HydrophobicContact CG2-CD1 3.73Å; I1046-L1084 HydrophobicContact CG2-CD2 4.13Å
1047	K	92.1	Very high	90	Very high	70 Å²	70	46.7 Å²	46.7	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-41.4	176.3	-75.7	164.2	173.4	159.2	0	112.6	N1043 E1044 K1049 S1051 E1082 L1084	N1043-K1047 PolarHBondContact ND2-NZ 3.15Å; N1043-K1047 WeakPolarHBondContact O-CB 3.46Å; N1043-K1047 WeakPolarHBondContact O-CG 3.5Å; N1043-K1047 PolarHBondContact O-N 2.93Å; N1043-K1047 WeakPolarHBondContact OD1-CE 3.41Å; N1043-K1047 PolarHBondContact OD1-NZ 3.31Å; E1044-K1047 PolarHBondContact O-N 3.26Å; K1047-K1049 VanDerWaalsContact C-N 3.25Å; K1047-K1049 PolarHBondContact O-N 3.29Å; K1047-S1051 WeakPolarHBondContact O-CB 3.46Å; K1047-S1051 PolarHBondContact O-N 3.16Å; K1047-S1051 PolarHBondContact O-OG 3.2Å; K1047-E1082 WeakPolarHBondContact CE-O 3.07Å; K1047-E1082 PolarHBondContact NZ-O 2.98Å; K1047-L1084 HydrophobicContact CG-CD2 3.9Å
1048	E	92	Very high	90.4	Very high	153 Å²	153	42.7 Å²	42.7	72%	0.715	22%	0.215	S	C	*	.	H	α-helix	trans	-57	-37.5	179.2	-169.9	-173.3	175.6	0	0	112.5	E1044 I1046	E1044-E1048 PolarHBondContact O-N 3.49Å; I1046-E1048 VanDerWaalsContact C-N 3.34Å; I1046-E1048 PolarHBondContact O-N 2.96Å
1049	K	90.8	Very high	90.8	Very high	73 Å²	73	42.1 Å²	42.1	32%	0.317	21%	0.212	S	C	.	.	H	α-helix	trans	-109.7	-19.6	-173.6	-58.6	-170.1	179.1	-171	0	115.8	W818 R846 F848 I1046 K1047	W818-K1049 HydrophobicContact CH2-CD 4.35Å; W818-K1049 HydrophobicContact CZ2-CB 4.16Å; R846-K1049 PolarHBondContact NH2-O 3.2Å; F848-K1049 HydrophobicContact CD1-CD 4.32Å; F848-K1049 HydrophobicContact CE1-CB 4.46Å; F848-K1049 HydrophobicContact CE1-CD 4.06Å; F848-K1049 HydrophobicContact CZ-CB 4.19Å; I1046-K1049 PolarHBondContact O-N 2.87Å; K1047-K1049 VanDerWaalsContact C-N 3.25Å; K1047-K1049 PolarHBondContact O-N 3.29Å
1050	S	91.6	Very high	91	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-125.2	8.7	-169.7	-59.8	0	0	0	0	114.6	D816 W818 I1046 D1052 S1053	D816-S1050 WeakPolarHBondContact OD2-CA 3.45Å; D816-S1050 WeakPolarHBondContact OD2-CB 3.47Å; D816-S1050 PolarHBondContact OD2-OG 2.87Å; W818-S1050 PolarHBondContact NE1-OG 3.07Å; I1046-S1050 WeakPolarHBondContact O-CA 3.32Å; I1046-S1050 VanDerWaalsContact O-CB 3.23Å; I1046-S1050 WeakPolarHBondContact O-CB 3.38Å; I1046-S1050 PolarHBondContact O-N 3.06Å; S1050-D1052 PolarHBondContact O-N 2.81Å; S1050-S1053 WeakPolarHBondContact O-CB 3.25Å; S1050-S1053 PolarHBondContact O-N 3.19Å
1051	S	86.6	Confident	91	Very high	98 Å²	98	38.6 Å²	38.6	69%	0.685	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.3	177.4	43.3	0	0	0	0	114.6	K1047	K1047-S1051 WeakPolarHBondContact O-CB 3.46Å; K1047-S1051 PolarHBondContact O-N 3.16Å; K1047-S1051 PolarHBondContact O-OG 3.2Å
1052	D	88.9	Confident	90.7	Very high	89 Å²	89	37.8 Å²	37.8	48%	0.476	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.4	172	66	-29.2	0	0	0	113.8	R846 S1050 Q1054	R846-D1052 IonicContact CZ-OD1 2.98Å; R846-D1052 IonicContact CZ-OD2 3.83Å; R846-D1052 IonicContact NH1-OD1 3.66Å; R846-D1052 PolarHBondContact NH1-OD1 3.28Å; R846-D1052 IonicContact NH1-OD2 2.75Å; R846-D1052 PolarHBondContact NH1-OD2 2.83Å; R846-D1052 IonicContact NH2-OD1 3.9Å; R846-D1052 PolarHBondContact NH2-OD1 2.66Å; R846-D1052 IonicContact NH2-OD2 3.83Å; S1050-D1052 PolarHBondContact O-N 2.81Å; D1052-Q1054 PolarHBondContact O-NE2 3.07Å
1053	S	91.6	Very high	90.6	Very high	11 Å²	11	38.1 Å²	38.1	8%	0.077	19%	0.191	C	C	.	.			trans	-74	142	-168.7	-164.7	0	0	0	0	113	T814 D816 S1050 L1055	T814-S1053 PolarHBondContact O-OG 3.19Å; T814-S1053 WeakPolarHBondContact OG1-CA 3.49Å; D816-S1053 WeakPolarHBondContact CB-OG 3.43Å; D816-S1053 VanDerWaalsContact CG-CB 3.45Å; D816-S1053 PolarHBondContact N-OG 2.84Å; D816-S1053 WeakPolarHBondContact OD1-CB 3.03Å; D816-S1053 PolarHBondContact OD1-OG 3.25Å; S1050-S1053 WeakPolarHBondContact O-CB 3.25Å; S1050-S1053 PolarHBondContact O-N 3.19Å; S1053-L1055 PolarHBondContact OG-O 3.32Å
1054	Q	92.7	Very high	90.2	Very high	47 Å²	47	39.9 Å²	39.9	22%	0.22	20%	0.202	C	C	.	.	S	Bend	trans	-87.1	-14.7	-177	-60.9	-60.6	-55.4	0	0	113.3	V811 H812 T814 W840 D1052 R1086	V811-Q1054 HydrophobicContact CG1-CB 3.63Å; V811-Q1054 HydrophobicContact CG1-CG 3.62Å; H812-Q1054 WeakPolarHBondContact O-CG 3.41Å; T814-Q1054 WeakPolarHBondContact O-CB 3.34Å; T814-Q1054 PolarHBondContact O-N 2.7Å; W840-Q1054 HydrophobicContact CZ3-CB 4.15Å; D1052-Q1054 PolarHBondContact O-NE2 3.07Å; Q1054-R1086 PolarHBondContact O-NH1 2.85Å; Q1054-R1086 VanDerWaalsContact OE1-NH2 3.14Å
1055	L	94.4	Very high	89.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	122	170.5	176.7	63	0	0	0	109.4	F804 I815 D816 L834 W840 S1053 I1057 R1086 L1088	F804-L1055 HydrophobicContact CE1-CD1 3.89Å; F804-L1055 HydrophobicContact CZ-CD1 3.68Å; I815-L1055 WeakPolarHBondContact CA-O 3.39Å; I815-L1055 HydrophobicContact CG1-CB 4.42Å; I815-L1055 HydrophobicContact CG2-CB 4.34Å; I815-L1055 HydrophobicContact CG2-CD2 4.42Å; D816-L1055 PolarHBondContact N-O 3.17Å; L834-L1055 HydrophobicContact CD1-CD2 3.74Å; W840-L1055 HydrophobicContact CH2-CB 3.82Å; W840-L1055 HydrophobicContact CH2-CD2 4.24Å; W840-L1055 HydrophobicContact CZ2-CD2 4.43Å; W840-L1055 HydrophobicContact CZ3-CB 3.76Å; W840-L1055 HydrophobicContact CZ3-CD2 4.49Å; S1053-L1055 PolarHBondContact OG-O 3.32Å; L1055-I1057 HydrophobicContact CD2-CD1 4.27Å; L1055-I1057 HydrophobicContact CD2-CG1 4.23Å; L1055-I1057 HydrophobicContact CG-CG1 4.09Å; L1055-R1086 HydrophobicContact CD1-CB 4.47Å; L1055-L1088 HydrophobicContact CD1-CB 4.24Å
1056	I	95.3	Very high	89.1	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.1	174.4	-54.5	174.8	0	0	0	108.6	D816 I1046 L1058 L1084 R1086 V1087 L1088	D816-I1056 CarbonylContact O-C 3.42Å; D816-I1056 WeakPolarHBondContact O-CA 3.2Å; I1046-I1056 HydrophobicContact CG2-CD1 4.18Å; I1046-I1056 HydrophobicContact CG2-CG2 4.29Å; I1056-L1058 HydrophobicContact CG2-CD2 3.99Å; I1056-L1084 HydrophobicContact CD1-CB 4.27Å; I1056-L1084 HydrophobicContact CD1-CD1 4.01Å; I1056-L1084 HydrophobicContact CD1-CD2 3.86Å; I1056-L1084 HydrophobicContact CD1-CG 4.26Å; I1056-R1086 PolarHBondContact N-O 2.04Å; I1056-V1087 CarbonylContact O-C 3.58Å; I1056-V1087 WeakPolarHBondContact O-CA 3.06Å; I1056-L1088 PolarHBondContact O-N 2.85Å
1057	I	95.1	Very high	88.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.3	176.5	-50.9	-176.3	0	0	0	107.8	I815 D816 V817 W818 L827 P831 L1055 L1088 V1090	I815-I1057 HydrophobicContact CG2-CD1 4.07Å; I815-I1057 HydrophobicContact CG2-CG1 4.37Å; D816-I1057 PolarHBondContact O-N 2.84Å; V817-I1057 WeakPolarHBondContact CA-O 3.49Å; W818-I1057 PolarHBondContact N-O 3.16Å; L827-I1057 HydrophobicContact CD2-CG2 3.9Å; P831-I1057 HydrophobicContact CB-CD1 3.84Å; P831-I1057 HydrophobicContact CG-CD1 4.12Å; L1055-I1057 HydrophobicContact CD2-CD1 4.27Å; L1055-I1057 HydrophobicContact CD2-CG1 4.23Å; L1055-I1057 HydrophobicContact CG-CG1 4.09Å; I1057-L1088 WeakPolarHBondContact CA-O 3.44Å; I1057-L1088 HydrophobicContact CD1-CD2 4.35Å; I1057-L1088 HydrophobicContact CG1-CB 4.3Å; I1057-L1088 HydrophobicContact CG1-CD2 4.36Å; I1057-L1088 HydrophobicContact CG2-CD2 4.28Å; I1057-V1090 HydrophobicContact CG2-CG2 3.56Å
1058	L	92.4	Very high	87.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.5	179.3	68.5	124.1	0	0	0	113.2	W818 I1056 L1060 L1080 V1087 L1088 L1089 V1090	W818-L1058 HydrophobicContact CB-CB 3.91Å; I1056-L1058 HydrophobicContact CG2-CD2 3.99Å; L1058-L1060 PolarHBondContact O-N 2.88Å; L1058-L1080 HydrophobicContact CD1-CD2 3.71Å; L1058-L1080 HydrophobicContact CD1-CG 4.07Å; L1058-V1087 HydrophobicContact CD2-CG1 3.62Å; L1058-L1088 PolarHBondContact N-O 2.9Å; L1058-L1088 VanDerWaalsContact N-O 3.09Å; L1058-L1089 HydrophobicContact CD1-CD2 3.69Å; L1058-L1089 HydrophobicContact CD2-CD2 3.87Å; L1058-L1089 HydrophobicContact CG-CD2 3.61Å; L1058-L1089 WeakPolarHBondContact O-CA 3.47Å; L1058-V1090 PolarHBondContact O-N 3.17Å
1059	N	91.1	Very high	87.3	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.9	-179.9	-78.6	-18.7	0	0	0	112.3	I820 H822 L827 Y890 P1061 V1090	I820-N1059 HydrophobicContact CB-CB 4.35Å; I820-N1059 PolarHBondContact N-ND2 3.08Å; I820-N1059 PolarHBondContact O-ND2 3.5Å; H822-N1059 PolarHBondContact O-ND2 3.42Å; L827-N1059 VanDerWaalsContact CD1-OD1 3.24Å; L827-N1059 WeakPolarHBondContact CD1-OD1 3.23Å; L827-N1059 WeakPolarHBondContact CD2-OD1 3.31Å; L827-N1059 WeakPolarHBondContact CG-OD1 3.14Å; Y890-N1059 HydrophobicContact CD1-CB 4.37Å; Y890-N1059 HydrophobicContact CE1-CB 3.74Å; Y890-N1059 WeakPolarHBondContact CE1-O 3.4Å; Y890-N1059 PolarHBondContact OH-O 3.32Å; N1059-P1061 WeakPolarHBondContact O-CD 3.3Å; N1059-V1090 CarbonylContact C-O 3.57Å; N1059-V1090 WeakPolarHBondContact CA-O 3.46Å
1060	L	89.4	Confident	86.9	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	25%	0.251	C	S	.	.			trans	-73.2	115	168.2	-178.3	74.3	0	0	0	108.5	L795 L1058 L1077 L1089 V1090 R1091	L795-L1060 HydrophobicContact CB-CD2 4.18Å; L795-L1060 HydrophobicContact CD1-CD2 4.15Å; L1058-L1060 PolarHBondContact O-N 2.88Å; L1060-L1077 HydrophobicContact CD1-CD1 3.78Å; L1060-L1077 HydrophobicContact CD1-CD2 3.63Å; L1060-L1077 HydrophobicContact CD1-CG 4.38Å; L1060-L1089 HydrophobicContact CB-CB 4.08Å; L1060-L1089 HydrophobicContact CD1-CB 3.91Å; L1060-L1089 HydrophobicContact CD1-CD1 3.8Å; L1060-L1089 HydrophobicContact CD1-CG 4.44Å; L1060-V1090 WeakPolarHBondContact CB-O 3.36Å; L1060-V1090 PolarHBondContact N-O 3.5Å; L1060-R1091 HydrophobicContact CB-CB 3.96Å; L1060-R1091 HydrophobicContact CD2-CB 4.27Å
1061	P	86.7	Confident	86.5	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64	152.2	178	28.7	-36.4	0	0	0	111.3	Y890 N1059 Y1073 Y1076 L1077	Y890-P1061 HydrophobicContact CE1-CB 4.03Å; N1059-P1061 WeakPolarHBondContact O-CD 3.3Å; P1061-Y1073 HydrophobicContact CG-CE2 4.03Å; P1061-Y1073 VanDerWaalsContact O-CE2 3.26Å; P1061-Y1073 WeakPolarHBondContact O-CE2 3.37Å; P1061-Y1073 PolarHBondContact O-OH 2.76Å; P1061-Y1076 HydrophobicContact CG-CD1 4.1Å; P1061-Y1076 HydrophobicContact CG-CE1 3.84Å; P1061-L1077 HydrophobicContact CG-CD2 3.87Å
1062	R	82.7	Confident	86.3	Confident	102 Å²	102	53.3 Å²	53.3	39%	0.385	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-60.1	130.5	-176.7	-167.7	177.9	-167.5	160.6	8	110.6	E893	E893-R1062 IonicContact OE1-NH1 3.87Å; E893-R1062 PolarHBondContact OE1-NH1 3.23Å; E893-R1062 WeakPolarHBondContact OE2-CD 3.31Å; E893-R1062 IonicContact OE2-CZ 2.71Å; E893-R1062 IonicContact OE2-NE 2.71Å; E893-R1062 IonicContact OE2-NH1 3.2Å; E893-R1062 PolarHBondContact OE2-NH1 3.22Å
1063	P	85.7	Confident	86.2	Confident	8 Å²	8	49.8 Å²	49.8	5%	0.052	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.8	147.9	174.8	27.4	-34.9	0	0	0	110.9	I785 A789 L1070 Y1073	I785-P1063 HydrophobicContact CG2-CB 4.09Å; I785-P1063 HydrophobicContact CG2-CG 4.01Å; A789-P1063 HydrophobicContact CB-CG 3.39Å; P1063-L1070 HydrophobicContact CB-CD2 4.34Å; P1063-Y1073 HydrophobicContact CB-CE1 4.02Å; P1063-Y1073 HydrophobicContact CB-CE2 4.27Å
1064	P	83	Confident	86	Confident	41 Å²	41	49.2 Å²	49.2	27%	0.266	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-62.3	140.6	-177.6	23.4	-33.3	0	0	0	112.5	H786 M1066 G1069 L1070	H786-P1064 PolarHBondContact CE1-O 3.43Å; H786-P1064 PolarHBondContact ND1-O 3.39Å; P1064-M1066 PolarHBondContact O-N 2.87Å; P1064-G1069 VanDerWaalsContact CG-C 3.5Å; P1064-L1070 HydrophobicContact CG-CD2 3.95Å; P1064-L1070 HydrophobicContact CG-CG 4.45Å
1065	K	77.3	Confident	85.6	Confident	161 Å²	161	48.8 Å²	48.8	70%	0.7	23%	0.226	S	C	*	.	S	Bend	trans	-59.2	-26.2	178.3	-64.4	179.7	-177.7	174.3	0	113.4	E893	E893-K1065 IonicContact OE1-NZ 3.3Å
1066	M	80.2	Confident	85.3	Confident	140 Å²	140	49.5 Å²	49.5	69%	0.69	23%	0.228	S	C	*	.	S	Bend	trans	-105.3	130.8	176.5	-67.7	-171.4	179.3	0	0	112.1	P1064 R1068 G1069	P1064-M1066 PolarHBondContact O-N 2.87Å; M1066-R1068 PolarHBondContact O-N 3.02Å; M1066-G1069 PolarHBondContact O-N 3.04Å
1067	R	78.9	Confident	85.1	Confident	128 Å²	128	49.3 Å²	49.3	48%	0.483	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-50.8	-32.9	177.7	-158.2	-177.3	-170.5	-151.2	0.2	113.9	D783 G1069 L1070	D783-R1067 IonicContact OD1-CZ 3.41Å; D783-R1067 IonicContact OD1-NE 2.92Å; D783-R1067 PolarHBondContact OD1-NE 3.02Å; D783-R1067 IonicContact OD1-NH2 3.68Å; D783-R1067 PolarHBondContact OD1-NH2 2.72Å; D783-R1067 IonicContact OD2-CZ 3.11Å; D783-R1067 IonicContact OD2-NH2 3.71Å; D783-R1067 PolarHBondContact OD2-NH2 3.35Å; R1067-G1069 PolarHBondContact O-N 3.34Å; R1067-L1070 HydrophobicContact CB-CD1 4.33Å; R1067-L1070 HydrophobicContact CG-CD1 3.66Å; R1067-L1070 WeakPolarHBondContact O-CB 3.4Å; R1067-L1070 WeakPolarHBondContact O-CG 3.37Å; R1067-L1070 PolarHBondContact O-N 3.22Å; R1067-L1070 VanDerWaalsContact O-N 3.14Å
1068	R	78.6	Confident	84.8	Confident	231 Å²	231	50.3 Å²	50.3	87%	0.872	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-58.4	-24.8	176.1	-69	-177.5	-180	159.6	0.8	114.1	M1066	M1066-R1068 PolarHBondContact O-N 3.02Å
1069	G	79.9	Confident	84.6	Confident	23 Å²	23	51.7 Å²	51.7	24%	0.237	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-84.1	-14.3	179.1	0	0	0	0	0	114.6	P1064 M1066 R1067 N1072 Y1073	P1064-G1069 VanDerWaalsContact CG-C 3.5Å; M1066-G1069 PolarHBondContact O-N 3.04Å; R1067-G1069 PolarHBondContact O-N 3.34Å; G1069-N1072 PolarHBondContact O-N 2.74Å; G1069-Y1073 PolarHBondContact O-N 3.47Å; G1069-Y1073 VanDerWaalsContact O-N 3.15Å
1070	L	83.2	Confident	84.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-171.5	-64.1	173.3	0	0	0	114.4	L782 H786 P1063 P1064 R1067 Y1073 M1074	L782-L1070 HydrophobicContact CB-CD1 4.37Å; L782-L1070 HydrophobicContact CD1-CB 3.87Å; L782-L1070 HydrophobicContact CD2-CB 3.79Å; L782-L1070 HydrophobicContact CD2-CD2 4.19Å; L782-L1070 HydrophobicContact CD2-CG 4.43Å; L782-L1070 HydrophobicContact CG-CB 4.28Å; H786-L1070 HydrophobicContact CB-CD1 4.36Å; H786-L1070 HydrophobicContact CB-CD2 4.31Å; P1063-L1070 HydrophobicContact CB-CD2 4.34Å; P1064-L1070 HydrophobicContact CG-CD2 3.95Å; P1064-L1070 HydrophobicContact CG-CG 4.45Å; R1067-L1070 HydrophobicContact CB-CD1 4.33Å; R1067-L1070 HydrophobicContact CG-CD1 3.66Å; R1067-L1070 WeakPolarHBondContact O-CB 3.4Å; R1067-L1070 WeakPolarHBondContact O-CG 3.37Å; R1067-L1070 PolarHBondContact O-N 3.22Å; R1067-L1070 VanDerWaalsContact O-N 3.14Å; L1070-Y1073 WeakPolarHBondContact O-CB 3.41Å; L1070-Y1073 PolarHBondContact O-N 3.07Å; L1070-M1074 PolarHBondContact O-N 2.72Å; L1070-M1074 VanDerWaalsContact O-N 3.08Å
1071	P	82.1	Confident	84.7	Confident	39 Å²	39	51.3 Å²	51.3	25%	0.253	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-46.5	174.8	-25.1	36.3	0	0	0	113.2	Y778 W779 Y1073 M1074 D1075	Y778-P1071 WeakPolarHBondContact OH-CA 3.14Å; W779-P1071 HydrophobicContact CH2-CG 4.22Å; P1071-Y1073 PolarHBondContact O-N 3.4Å; P1071-M1074 PolarHBondContact O-N 2.96Å; P1071-M1074 VanDerWaalsContact O-N 3.07Å; P1071-D1075 PolarHBondContact O-N 2.72Å; P1071-D1075 VanDerWaalsContact O-N 3.1Å
1072	N	82.9	Confident	84.8	Confident	78 Å²	78	55.5 Å²	55.5	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-22.3	176	-65.9	-17.2	0	0	0	112.7	K1032 G1069 Y1076	K1032-N1072 WeakPolarHBondContact CD-OD1 2.94Å; K1032-N1072 WeakPolarHBondContact CE-OD1 3.45Å; K1032-N1072 PolarHBondContact NZ-OD1 3.14Å; G1069-N1072 PolarHBondContact O-N 2.74Å; N1072-Y1076 PolarHBondContact O-N 3.45Å
1073	Y	87	Confident	85	Confident	15 Å²	15	54.1 Å²	54.1	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-76.8	-37.9	173.6	175.7	-99.1	0	0	0	111.7	L782 I785 P1061 P1063 G1069 L1070 P1071 Y1076 L1077	L782-Y1073 HydrophobicContact CD2-CD1 4.36Å; I785-Y1073 HydrophobicContact CG2-CE1 4.23Å; P1061-Y1073 HydrophobicContact CG-CE2 4.03Å; P1061-Y1073 VanDerWaalsContact O-CE2 3.26Å; P1061-Y1073 WeakPolarHBondContact O-CE2 3.37Å; P1061-Y1073 PolarHBondContact O-OH 2.76Å; P1063-Y1073 HydrophobicContact CB-CE1 4.02Å; P1063-Y1073 HydrophobicContact CB-CE2 4.27Å; G1069-Y1073 PolarHBondContact O-N 3.47Å; G1069-Y1073 VanDerWaalsContact O-N 3.15Å; L1070-Y1073 WeakPolarHBondContact O-CB 3.41Å; L1070-Y1073 PolarHBondContact O-N 3.07Å; P1071-Y1073 PolarHBondContact O-N 3.4Å; Y1073-Y1076 WeakPolarHBondContact O-CB 2.99Å; Y1073-Y1076 PolarHBondContact O-N 2.98Å; Y1073-L1077 HydrophobicContact CD1-CD1 4.07Å; Y1073-L1077 HydrophobicContact CD1-CG 4.42Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.56Å; Y1073-L1077 HydrophobicContact CE1-CG 4.16Å; Y1073-L1077 HydrophobicContact CE2-CD2 4.47Å; Y1073-L1077 WeakPolarHBondContact O-CG 3.04Å; Y1073-L1077 PolarHBondContact O-N 2.95Å
1074	M	87.1	Confident	85.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-44.8	170.6	-70.8	-62	-64.4	0	0	111.9	W763 P764 W767 Y778 F781 L782 L1070 P1071 Y1076 L1077 E1078	W763-M1074 HydrophobicContact CH2-CE 4.01Å; W763-M1074 HydrophobicContact CZ2-CE 4.07Å; P764-M1074 HydrophobicContact CG-CE 3.87Å; W767-M1074 HydrophobicContact CD2-CE 4.34Å; W767-M1074 HydrophobicContact CH2-CB 4.26Å; W767-M1074 HydrophobicContact CZ3-CB 4.14Å; Y778-M1074 HydrophobicContact CE2-CB 4.17Å; Y778-M1074 HydrophobicContact CE2-CE 4.38Å; Y778-M1074 HydrophobicContact CE2-CG 3.74Å; F781-M1074 HydrophobicContact CD1-CE 4Å; F781-M1074 HydrophobicContact CD1-SD 3.9Å; F781-M1074 HydrophobicContact CE1-CE 3.76Å; F781-M1074 HydrophobicContact CE1-SD 3.62Å; L782-M1074 HydrophobicContact CD1-CG 3.84Å; L782-M1074 HydrophobicContact CD2-CG 3.56Å; L782-M1074 HydrophobicContact CD2-SD 3.71Å; L782-M1074 HydrophobicContact CG-CG 3.8Å; L782-M1074 HydrophobicContact CG-SD 4.06Å; L1070-M1074 PolarHBondContact O-N 2.72Å; L1070-M1074 VanDerWaalsContact O-N 3.08Å; P1071-M1074 PolarHBondContact O-N 2.96Å; P1071-M1074 VanDerWaalsContact O-N 3.07Å; M1074-Y1076 VanDerWaalsContact C-N 3.27Å; M1074-Y1076 PolarHBondContact O-N 2.87Å; M1074-L1077 PolarHBondContact O-N 3.4Å; M1074-E1078 WeakPolarHBondContact O-CB 3.35Å; M1074-E1078 PolarHBondContact O-N 3.3Å
1075	D	85.3	Confident	85.4	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-43.5	175	-59.5	-21.2	0	0	0	111.4	K1032 M1036 P1071 E1078 V1079	K1032-D1075 WeakPolarHBondContact CE-OD2 3.4Å; K1032-D1075 IonicContact NZ-OD2 3.32Å; K1032-D1075 PolarHBondContact NZ-OD2 3.36Å; M1036-D1075 HydrophobicContact CE-CB 3.63Å; P1071-D1075 PolarHBondContact O-N 2.72Å; P1071-D1075 VanDerWaalsContact O-N 3.1Å; D1075-E1078 PolarHBondContact O-N 3.34Å; D1075-V1079 VanDerWaalsContact O-CG2 3.3Å; D1075-V1079 WeakPolarHBondContact O-CG2 3.44Å; D1075-V1079 PolarHBondContact O-N 3.25Å
1076	Y	88.3	Confident	86.1	Confident	15 Å²	15	52.1 Å²	52.1	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-48.8	177.5	-176.8	-83.2	0	0	0	112.3	A889 K1035 A1039 P1061 N1072 Y1073 M1074 E1078 V1079 L1080	A889-Y1076 HydrophobicContact CB-CE1 4.49Å; A889-Y1076 HydrophobicContact CB-CE2 4.29Å; A889-Y1076 WeakPolarHBondContact CB-OH 3.36Å; K1035-Y1076 HydrophobicContact CB-CD2 4.1Å; K1035-Y1076 HydrophobicContact CB-CE2 4.39Å; K1035-Y1076 VanDerWaalsContact O-CD2 3.25Å; K1035-Y1076 WeakPolarHBondContact O-CD2 3.2Å; K1035-Y1076 WeakPolarHBondContact O-CE2 3.49Å; A1039-Y1076 HydrophobicContact CB-CD2 3.83Å; A1039-Y1076 HydrophobicContact CB-CE1 4.43Å; A1039-Y1076 HydrophobicContact CB-CE2 3.7Å; A1039-Y1076 HydrophobicContact CB-CG 4.28Å; P1061-Y1076 HydrophobicContact CG-CD1 4.1Å; P1061-Y1076 HydrophobicContact CG-CE1 3.84Å; N1072-Y1076 PolarHBondContact O-N 3.45Å; Y1073-Y1076 WeakPolarHBondContact O-CB 2.99Å; Y1073-Y1076 PolarHBondContact O-N 2.98Å; M1074-Y1076 VanDerWaalsContact C-N 3.27Å; M1074-Y1076 PolarHBondContact O-N 2.87Å; Y1076-E1078 VanDerWaalsContact C-N 3.26Å; Y1076-E1078 PolarHBondContact O-N 2.94Å; Y1076-V1079 PolarHBondContact O-N 3.32Å; Y1076-L1080 HydrophobicContact CE1-CD2 4.12Å; Y1076-L1080 VanDerWaalsContact O-CB 3.27Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.39Å; Y1076-L1080 PolarHBondContact O-N 2.91Å
1077	L	89.9	Confident	86.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-35.3	179.1	-68.9	-175.1	0	0	0	112.2	W763 L1060 P1061 Y1073 M1074 T1081	W763-L1077 HydrophobicContact CH2-CB 3.87Å; W763-L1077 HydrophobicContact CH2-CD1 4.46Å; W763-L1077 HydrophobicContact CZ3-CB 4.25Å; W763-L1077 HydrophobicContact CZ3-CD1 4.22Å; L1060-L1077 HydrophobicContact CD1-CD1 3.78Å; L1060-L1077 HydrophobicContact CD1-CD2 3.63Å; L1060-L1077 HydrophobicContact CD1-CG 4.38Å; P1061-L1077 HydrophobicContact CG-CD2 3.87Å; Y1073-L1077 HydrophobicContact CD1-CD1 4.07Å; Y1073-L1077 HydrophobicContact CD1-CG 4.42Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.56Å; Y1073-L1077 HydrophobicContact CE1-CG 4.16Å; Y1073-L1077 HydrophobicContact CE2-CD2 4.47Å; Y1073-L1077 WeakPolarHBondContact O-CG 3.04Å; Y1073-L1077 PolarHBondContact O-N 2.95Å; M1074-L1077 PolarHBondContact O-N 3.4Å; L1077-T1081 WeakPolarHBondContact O-CG2 3.46Å; L1077-T1081 PolarHBondContact O-N 3.07Å; L1077-T1081 PolarHBondContact O-OG1 2.99Å
1078	E	88.4	Confident	87.6	Confident	21 Å²	21	39.4 Å²	39.4	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-69.1	-51.6	177	-174.3	62.3	-156.3	0	0	111.5	W763 W767 K768 K799 M1074 D1075 Y1076 L1080 T1081 E1082	W763-E1078 VanDerWaalsContact CZ2-OE2 3.23Å; W763-E1078 WeakPolarHBondContact CZ2-OE2 3.36Å; W767-E1078 HydrophobicContact CH2-CB 4.14Å; W767-E1078 HydrophobicContact CH2-CG 4.44Å; W767-E1078 HydrophobicContact CZ2-CB 3.65Å; W767-E1078 HydrophobicContact CZ2-CG 3.73Å; K768-E1078 VanDerWaalsContact CE-CD 3.43Å; K768-E1078 VanDerWaalsContact CE-OE1 3.27Å; K768-E1078 WeakPolarHBondContact CE-OE1 3.48Å; K768-E1078 VanDerWaalsContact NZ-CD 3.33Å; K768-E1078 IonicContact NZ-OE1 2.78Å; K768-E1078 PolarHBondContact NZ-OE1 2.97Å; K799-E1078 IonicContact NZ-OE1 3.82Å; K799-E1078 PolarHBondContact NZ-OE1 2.87Å; K799-E1078 VanDerWaalsContact NZ-OE1 3.1Å; K799-E1078 IonicContact NZ-OE2 3.93Å; K799-E1078 PolarHBondContact NZ-OE2 2.04Å; M1074-E1078 WeakPolarHBondContact O-CB 3.35Å; M1074-E1078 PolarHBondContact O-N 3.3Å; D1075-E1078 PolarHBondContact O-N 3.34Å; Y1076-E1078 VanDerWaalsContact C-N 3.26Å; Y1076-E1078 PolarHBondContact O-N 2.94Å; E1078-L1080 PolarHBondContact O-N 3.12Å; E1078-T1081 CarbonylContact O-C 3.57Å; E1078-T1081 PolarHBondContact O-N 2.97Å; E1078-T1081 PolarHBondContact O-OG1 3.08Å; E1078-E1082 WeakPolarHBondContact O-CB 3.26Å; E1078-E1082 PolarHBondContact O-N 3.36Å
1079	V	89.5	Confident	88.3	Confident	29 Å²	29	28.4 Å²	28.4	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-33.3	177.4	172	0	0	0	0	111.5	A1039 M1040 N1043 D1075 Y1076 T1081	A1039-V1079 HydrophobicContact CB-CB 4.06Å; A1039-V1079 HydrophobicContact CB-CG1 3.7Å; M1040-V1079 HydrophobicContact CB-CG1 4.31Å; M1040-V1079 HydrophobicContact CG-CG1 3.43Å; M1040-V1079 VanDerWaalsContact CG-CG1 3.43Å; N1043-V1079 WeakPolarHBondContact CB-O 3.49Å; N1043-V1079 PolarHBondContact ND2-O 2.73Å; D1075-V1079 VanDerWaalsContact O-CG2 3.3Å; D1075-V1079 WeakPolarHBondContact O-CG2 3.44Å; D1075-V1079 PolarHBondContact O-N 3.25Å; Y1076-V1079 PolarHBondContact O-N 3.32Å; V1079-T1081 VanDerWaalsContact C-N 3.31Å; V1079-T1081 PolarHBondContact O-N 2.87Å
1080	L	90.4	Very high	89	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-26.1	174.6	-178.6	61.4	0	0	0	113.7	A1039 L1042 I1046 L1058 Y1076 E1078	A1039-L1080 HydrophobicContact CB-CB 4.3Å; L1042-L1080 HydrophobicContact CB-CD1 4.02Å; L1042-L1080 HydrophobicContact CD2-CD1 3.49Å; L1042-L1080 VanDerWaalsContact CD2-CD1 3.49Å; L1042-L1080 HydrophobicContact CG-CD1 3.65Å; I1046-L1080 HydrophobicContact CD1-CD1 4.37Å; L1058-L1080 HydrophobicContact CD1-CD2 3.71Å; L1058-L1080 HydrophobicContact CD1-CG 4.07Å; Y1076-L1080 HydrophobicContact CE1-CD2 4.12Å; Y1076-L1080 VanDerWaalsContact O-CB 3.27Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.39Å; Y1076-L1080 PolarHBondContact O-N 2.91Å; E1078-L1080 PolarHBondContact O-N 3.12Å
1081	T	91.3	Very high	89.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-123.5	6.6	-171.2	59.2	0	0	0	0	114.2	K799 L1077 E1078 V1079 G1083 L1084 V1087 L1089	K799-T1081 WeakPolarHBondContact CD-OG1 3.27Å; K799-T1081 PolarHBondContact NZ-OG1 3.18Å; L1077-T1081 WeakPolarHBondContact O-CG2 3.46Å; L1077-T1081 PolarHBondContact O-N 3.07Å; L1077-T1081 PolarHBondContact O-OG1 2.99Å; E1078-T1081 CarbonylContact O-C 3.57Å; E1078-T1081 PolarHBondContact O-N 2.97Å; E1078-T1081 PolarHBondContact O-OG1 3.08Å; V1079-T1081 VanDerWaalsContact C-N 3.31Å; V1079-T1081 PolarHBondContact O-N 2.87Å; T1081-G1083 PolarHBondContact O-N 3.1Å; T1081-L1084 PolarHBondContact O-N 2.94Å; T1081-V1087 HydrophobicContact CG2-CG1 3.99Å; T1081-L1089 HydrophobicContact CG2-CD2 3.88Å
1082	E	89.5	Confident	89.6	Confident	97 Å²	97	26.5 Å²	26.5	45%	0.453	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	126.4	179.7	172.3	168.3	-116.5	0	0	110.5	N1043 K1047 E1078	N1043-E1082 PolarHBondContact ND2-N 3.07Å; N1043-E1082 PolarHBondContact ND2-O 3.13Å; K1047-E1082 WeakPolarHBondContact CE-O 3.07Å; K1047-E1082 PolarHBondContact NZ-O 2.98Å; E1078-E1082 WeakPolarHBondContact O-CB 3.26Å; E1078-E1082 PolarHBondContact O-N 3.36Å
1083	G	86.7	Confident	89.6	Confident	72 Å²	72	23.8 Å²	23.8	74%	0.742	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	15	179.6	0	0	0	0	0	115.3	T1081	T1081-G1083 PolarHBondContact O-N 3.1Å
1084	L	90.1	Very high	89.2	Confident	15 Å²	15	23.7 Å²	23.7	8%	0.079	14%	0.138	C	C	.	.			trans	-108.8	129.7	171.1	-53.6	-180	0	0	0	109.3	I1046 K1047 I1056 T1081 V1087	I1046-L1084 HydrophobicContact CG2-CD1 3.73Å; I1046-L1084 HydrophobicContact CG2-CD2 4.13Å; K1047-L1084 HydrophobicContact CG-CD2 3.9Å; I1056-L1084 HydrophobicContact CD1-CB 4.27Å; I1056-L1084 HydrophobicContact CD1-CD1 4.01Å; I1056-L1084 HydrophobicContact CD1-CD2 3.86Å; I1056-L1084 HydrophobicContact CD1-CG 4.26Å; T1081-L1084 PolarHBondContact O-N 2.94Å; L1084-V1087 HydrophobicContact CB-CG2 3.52Å; L1084-V1087 HydrophobicContact CD1-CG2 4.03Å; L1084-V1087 HydrophobicContact CG-CG2 4.44Å
1085	E	86.7	Confident	88.7	Confident	124 Å²	124	28.9 Å²	28.9	58%	0.579	16%	0.16	S	C	*	.	S	Bend	trans	-66.3	-64.3	-177.4	-68	-173.7	178.6	0	0	112.6	G800	G800-E1085 WeakPolarHBondContact CA-O 3.04Å
1086	R	92.8	Very high	88.4	Confident	30 Å²	30	27.7 Å²	27.7	11%	0.113	15%	0.154	C	C	.	.	S	Bend	trans	-121.2	103	-165.1	-76.6	167.3	-89.3	156.9	-13.3	109.5	D803 F804 Q1054 L1055 I1056	D803-R1086 HydrophobicContact CB-CG 4.16Å; D803-R1086 WeakPolarHBondContact O-CD 3.24Å; F804-R1086 HydrophobicContact CD2-CB 4.39Å; F804-R1086 HydrophobicContact CD2-CG 3.86Å; F804-R1086 HydrophobicContact CE2-CB 3.94Å; F804-R1086 HydrophobicContact CE2-CG 3.9Å; F804-R1086 HydrophobicContact CZ-CB 4.43Å; Q1054-R1086 PolarHBondContact O-NH1 2.85Å; Q1054-R1086 VanDerWaalsContact OE1-NH2 3.14Å; L1055-R1086 HydrophobicContact CD1-CB 4.47Å; I1056-R1086 PolarHBondContact N-O 2.04Å
1087	V	94.1	Very high	87.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.3	-171.8	176.4	0	0	0	0	110.4	P798 K799 I1056 L1058 T1081 L1084 L1089	P798-V1087 CarbonylContact C-O 3.6Å; P798-V1087 WeakPolarHBondContact CA-O 3.46Å; K799-V1087 HydrophobicContact CB-CB 4.32Å; K799-V1087 PolarHBondContact N-O 2.96Å; K799-V1087 PolarHBondContact O-N 3.46Å; I1056-V1087 CarbonylContact O-C 3.58Å; I1056-V1087 WeakPolarHBondContact O-CA 3.06Å; L1058-V1087 HydrophobicContact CD2-CG1 3.62Å; T1081-V1087 HydrophobicContact CG2-CG1 3.99Å; L1084-V1087 HydrophobicContact CB-CG2 3.52Å; L1084-V1087 HydrophobicContact CD1-CG2 4.03Å; L1084-V1087 HydrophobicContact CG-CG2 4.44Å; V1087-L1089 HydrophobicContact CG1-CD2 3.63Å; V1087-L1089 HydrophobicContact CG1-CG 4.06Å
1088	L	95.1	Very high	87.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.4	168.2	-176.4	69	0	0	0	109.3	F680 L796 P798 L830 L1055 I1056 I1057 L1058 V1090	F680-L1088 HydrophobicContact CE1-CD1 3.9Å; F680-L1088 HydrophobicContact CZ-CD1 4.04Å; F680-L1088 HydrophobicContact CZ-CD2 4.06Å; L796-L1088 HydrophobicContact CB-CD1 4.35Å; L796-L1088 HydrophobicContact CD2-CD1 4.5Å; P798-L1088 HydrophobicContact CB-CD1 4.19Å; L830-L1088 HydrophobicContact CD1-CD2 4.48Å; L1055-L1088 HydrophobicContact CD1-CB 4.24Å; I1056-L1088 PolarHBondContact O-N 2.85Å; I1057-L1088 WeakPolarHBondContact CA-O 3.44Å; I1057-L1088 HydrophobicContact CD1-CD2 4.35Å; I1057-L1088 HydrophobicContact CG1-CB 4.3Å; I1057-L1088 HydrophobicContact CG1-CD2 4.36Å; I1057-L1088 HydrophobicContact CG2-CD2 4.28Å; L1058-L1088 PolarHBondContact N-O 2.9Å; L1058-L1088 VanDerWaalsContact N-O 3.09Å; L1088-V1090 HydrophobicContact CD2-CG2 4Å; L1088-V1090 HydrophobicContact CG-CG2 3.86Å
1089	L	94.4	Very high	86.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.1	171.9	-54.1	178.8	0	0	0	109.2	W763 V797 L1058 L1060 T1081 V1087	W763-L1089 HydrophobicContact CE3-CD1 4.45Å; W763-L1089 HydrophobicContact CZ3-CD1 4.01Å; V797-L1089 HydrophobicContact CB-CB 4.17Å; V797-L1089 HydrophobicContact CG1-CD1 4.45Å; V797-L1089 PolarHBondContact N-O 3.39Å; V797-L1089 PolarHBondContact O-N 3.34Å; L1058-L1089 HydrophobicContact CD1-CD2 3.69Å; L1058-L1089 HydrophobicContact CD2-CD2 3.87Å; L1058-L1089 HydrophobicContact CG-CD2 3.61Å; L1058-L1089 WeakPolarHBondContact O-CA 3.47Å; L1060-L1089 HydrophobicContact CB-CB 4.08Å; L1060-L1089 HydrophobicContact CD1-CB 3.91Å; L1060-L1089 HydrophobicContact CD1-CD1 3.8Å; L1060-L1089 HydrophobicContact CD1-CG 4.44Å; T1081-L1089 HydrophobicContact CG2-CD2 3.88Å; V1087-L1089 HydrophobicContact CG1-CD2 3.63Å; V1087-L1089 HydrophobicContact CG1-CG 4.06Å
1090	V	94.2	Very high	85.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.5	-172.1	-179.9	0	0	0	0	110.6	L795 L796 L826 L827 L830 I1057 L1058 N1059 L1060 L1088	L795-V1090 WeakPolarHBondContact O-CA 3.28Å; L796-V1090 HydrophobicContact CD2-CB 4.48Å; L796-V1090 HydrophobicContact CD2-CG1 4.23Å; L796-V1090 HydrophobicContact CD2-CG2 3.94Å; L826-V1090 HydrophobicContact CD2-CG1 3.61Å; L826-V1090 HydrophobicContact CG-CG1 3.8Å; L827-V1090 HydrophobicContact CD2-CB 4.34Å; L830-V1090 HydrophobicContact CD1-CB 4.28Å; L830-V1090 HydrophobicContact CD1-CG1 3.6Å; L830-V1090 HydrophobicContact CD1-CG2 3.6Å; I1057-V1090 HydrophobicContact CG2-CG2 3.56Å; L1058-V1090 PolarHBondContact O-N 3.17Å; N1059-V1090 CarbonylContact C-O 3.57Å; N1059-V1090 WeakPolarHBondContact CA-O 3.46Å; L1060-V1090 WeakPolarHBondContact CB-O 3.36Å; L1060-V1090 PolarHBondContact N-O 3.5Å; L1088-V1090 HydrophobicContact CD2-CG2 4Å; L1088-V1090 HydrophobicContact CG-CG2 3.86Å
1091	R	91.1	Very high	84.4	Confident	19 Å²	19	31.8 Å²	31.8	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	135.3	167.3	164.1	175.5	178.2	-73.5	-0.9	110.9	C794 L795 L1060	C794-R1091 CarbonylContact C-O 3.44Å; C794-R1091 VanDerWaalsContact CA-O 3.24Å; C794-R1091 WeakPolarHBondContact CA-O 3.27Å; L795-R1091 HydrophobicContact CB-CB 4.4Å; L795-R1091 PolarHBondContact N-O 3Å; L795-R1091 PolarHBondContact O-N 2.65Å; L1060-R1091 HydrophobicContact CB-CB 3.96Å; L1060-R1091 HydrophobicContact CD2-CB 4.27Å
1092	G	87.3	Confident	83	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	20%	0.199	C	C	.	.			trans	-78.1	168.8	170.9	0	0	0	0	0	113.4	D823 E1096	D823-G1092 PolarHBondContact OD2-N 2.88Å; G1092-E1096 WeakPolarHBondContact CA-OE2 3.44Å
1093	S	83.5	Confident	82.7	Confident	22 Å²	22	32.5 Å²	32.5	15%	0.154	19%	0.186	C	C	.	.			trans	-79.6	-23.3	164.8	74.3	0	0	0	0	112.6	D792 K1095 E1096	D792-S1093 VanDerWaalsContact C-CB 3.49Å; D792-S1093 WeakPolarHBondContact O-CB 3.35Å; S1093-K1095 WeakPolarHBondContact OG-CB 3.47Å; S1093-K1095 PolarHBondContact OG-N 3.14Å; S1093-K1095 VanDerWaalsContact OG-N 3.08Å; S1093-E1096 WeakPolarHBondContact CB-OE1 3.39Å; S1093-E1096 VanDerWaalsContact N-CD 3.26Å; S1093-E1096 PolarHBondContact N-OE1 3.36Å; S1093-E1096 PolarHBondContact N-OE2 3.42Å; S1093-E1096 PolarHBondContact OG-OE1 2.91Å
1094	G	77	Confident	82.4	Confident	13 Å²	13	30.4 Å²	30.4	13%	0.134	16%	0.157	C	C	.	.	S	Bend	trans	109.8	-22.7	-166.6	0	0	0	0	0	112.5	R901 E1096	R901-G1094 WeakPolarHBondContact CG-O 3.39Å; R901-G1094 PolarHBondContact NE-O 3.03Å; G1094-E1096 PolarHBondContact N-OE2 2.66Å
1095	K	76.2	Confident	82	Confident	109 Å²	109	31.3 Å²	31.3	47%	0.474	16%	0.161	S	C	.	.			trans	-99.3	12.1	-168.7	-52.8	169.6	-167.6	170.9	0	113.7	D792 L904 S1093 V1097	D792-K1095 IonicContact OD2-NZ 2.75Å; D792-K1095 PolarHBondContact OD2-NZ 2.82Å; L904-K1095 HydrophobicContact CD2-CB 4.11Å; L904-K1095 HydrophobicContact CD2-CG 4.5Å; S1093-K1095 WeakPolarHBondContact OG-CB 3.47Å; S1093-K1095 PolarHBondContact OG-N 3.14Å; S1093-K1095 VanDerWaalsContact OG-N 3.08Å; K1095-V1097 PolarHBondContact O-N 2.86Å; K1095-V1097 VanDerWaalsContact O-N 3.16Å
1096	E	79.4	Confident	81.7	Confident	13 Å²	13	25.8 Å²	25.8	6%	0.061	14%	0.137	C	C	.	.			trans	-82.3	79.8	-175.4	-63.6	67.3	-136.1	0	0	113.2	W656 C794 G1092 S1093 G1094	W656-E1096 HydrophobicContact CD2-CB 4.32Å; W656-E1096 HydrophobicContact CD2-CG 3.87Å; W656-E1096 HydrophobicContact CE3-CG 4.35Å; W656-E1096 HydrophobicContact CG-CB 4.21Å; W656-E1096 HydrophobicContact CG-CG 4.12Å; W656-E1096 HydrophobicContact CZ2-CG 4.21Å; C794-E1096 VanDerWaalsContact SG-CD 3.58Å; C794-E1096 PolarHBondContact SG-OE1 3.08Å; G1092-E1096 WeakPolarHBondContact CA-OE2 3.44Å; S1093-E1096 WeakPolarHBondContact CB-OE1 3.39Å; S1093-E1096 VanDerWaalsContact N-CD 3.26Å; S1093-E1096 PolarHBondContact N-OE1 3.36Å; S1093-E1096 PolarHBondContact N-OE2 3.42Å; S1093-E1096 PolarHBondContact OG-OE1 2.91Å; G1094-E1096 PolarHBondContact N-OE2 2.66Å
1097	V	76.8	Confident	81.1	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.03	14%	0.138	C	C	.	.			trans	-81.6	122.9	170.7	174.7	0	0	0	0	110.3	W656 L904 L908 L910 K1095 T1099	W656-V1097 WeakPolarHBondContact CB-O 3.2Å; W656-V1097 PolarHBondContact N-O 3.22Å; L904-V1097 HydrophobicContact CD2-CG2 4.22Å; L908-V1097 HydrophobicContact CD1-CB 4.34Å; L908-V1097 HydrophobicContact CD1-CG2 3.94Å; L910-V1097 HydrophobicContact CD1-CG1 4.25Å; L910-V1097 HydrophobicContact CD2-CG1 4.37Å; K1095-V1097 PolarHBondContact O-N 2.86Å; K1095-V1097 VanDerWaalsContact O-N 3.16Å; V1097-T1099 HydrophobicContact CG1-CG2 4.23Å
1098	I	78.2	Confident	80.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-131.7	104.3	-176.6	-58.4	162.6	0	0	0	108.8	W656 G825 L829 Y1101	W656-I1098 HydrophobicContact CB-CG1 4.08Å; W656-I1098 HydrophobicContact CE3-CD1 4.47Å; G825-I1098 VanDerWaalsContact C-CD1 3.46Å; G825-I1098 WeakPolarHBondContact O-CD1 3.27Å; L829-I1098 HydrophobicContact CB-CD1 4.22Å; L829-I1098 HydrophobicContact CD2-CD1 3.79Å; L829-I1098 HydrophobicContact CD2-CG1 4.39Å; I1098-Y1101 HydrophobicContact CB-CE2 4.46Å; I1098-Y1101 HydrophobicContact CG2-CD2 4.08Å; I1098-Y1101 HydrophobicContact CG2-CE1 4.14Å; I1098-Y1101 HydrophobicContact CG2-CE2 3.56Å
1099	T	71.9	Confident	79.1	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.031	16%	0.158	C	C	.	.			trans	-101.5	-22.5	-178.7	56.3	0	0	0	0	113.6	K654 N655 L910 E914 V1097	K654-T1099 WeakPolarHBondContact O-CG2 3.16Å; K654-T1099 PolarHBondContact O-N 3.35Å; K654-T1099 PolarHBondContact O-OG1 3.29Å; N655-T1099 PolarHBondContact ND2-OG1 3.37Å; N655-T1099 PolarHBondContact OD1-N 2.7Å; N655-T1099 PolarHBondContact OD1-OG1 3.01Å; L910-T1099 HydrophobicContact CD2-CG2 4.29Å; E914-T1099 HydrophobicContact CB-CG2 3.98Å; E914-T1099 HydrophobicContact CG-CG2 4.43Å; V1097-T1099 HydrophobicContact CG1-CG2 4.23Å
1100	M	70.3	Confident	77.9	Confident	118 Å²	118	31.5 Å²	31.5	58%	0.581	17%	0.17	S	C	*	.			trans	-131	126.5	179.4	-62.6	-165.3	-72.7	0	0	112.6	N655	N655-M1100 WeakPolarHBondContact ND2-CE 3.47Å; N655-M1100 WeakPolarHBondContact OD1-CB 3.43Å; N655-M1100 PolarHBondContact OD1-N 3.44Å
1101	Y	66.6	Low	76.6	Confident	22 Å²	22	34.1 Å²	34.1	9%	0.086	18%	0.184	C	C	.	.			trans	-100.7	110.9	175.2	-69.6	-106.3	0	0	0	109.2	G825 L828 L829 W867 L871 I873 I1098	G825-Y1101 VanDerWaalsContact CA-OH 3.31Å; G825-Y1101 WeakPolarHBondContact CA-OH 3.27Å; G825-Y1101 PolarHBondContact O-OH 3.21Å; G825-Y1101 VanDerWaalsContact O-OH 3.11Å; L828-Y1101 HydrophobicContact CB-CE1 4.25Å; L829-Y1101 HydrophobicContact CB-CD1 4.45Å; L829-Y1101 HydrophobicContact CB-CE1 3.96Å; L829-Y1101 HydrophobicContact CD1-CD1 4.11Å; L829-Y1101 HydrophobicContact CD1-CE1 4.39Å; W867-Y1101 HydrophobicContact CH2-CE2 4.41Å; W867-Y1101 HydrophobicContact CZ2-CE2 4.17Å; L871-Y1101 HydrophobicContact CD1-CD2 3.41Å; L871-Y1101 VanDerWaalsContact CD1-CD2 3.41Å; L871-Y1101 HydrophobicContact CD1-CE2 3.46Å; L871-Y1101 VanDerWaalsContact CD1-CE2 3.46Å; L871-Y1101 HydrophobicContact CD1-CG 4.13Å; L871-Y1101 HydrophobicContact CD2-CD2 3.88Å; L871-Y1101 HydrophobicContact CD2-CE2 4.48Å; L871-Y1101 HydrophobicContact CG-CD2 4.21Å; I873-Y1101 HydrophobicContact CD1-CD1 3.88Å; I873-Y1101 HydrophobicContact CD1-CE1 4.33Å; I873-Y1101 HydrophobicContact CD1-CG 4.17Å; I1098-Y1101 HydrophobicContact CB-CE2 4.46Å; I1098-Y1101 HydrophobicContact CG2-CD2 4.08Å; I1098-Y1101 HydrophobicContact CG2-CE1 4.14Å; I1098-Y1101 HydrophobicContact CG2-CE2 3.56Å
1102	S	60.7	Low	75.3	Confident	79 Å²	79	35.5 Å²	35.5	55%	0.552	20%	0.195	S	C	*	.			trans	-156.2	0	179.7	172.6	0	0	0	0	111.7	R657 Q836	R657-S1102 PolarHBondContact NH1-O 2.98Å; R657-S1102 PolarHBondContact NH2-O 3.21Å; Q836-S1102 PolarHBondContact NE2-OXT 3.18Å

Retrieved 1,102 of 1,102 residues in 408.4 ms (Link to these results)

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