A0A087YHB4_POEFO Loading...

Leucyl/cystinyl aminopeptidase

AlphaFold DB , UniProt , Accession A0A087YHB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,022 aa.

						>A0A087YHB4_POEFO|A0A087YHB4
MDLFDSNNAERANLPRNMIENSMFEEEPDVVDLAKDSNTFPTFPTLDPDEAAYEPRSSRLLVRGLGENDMDDDEEDCESSARLLGMSFMNRSSSHRSSSSPYVRQSPPRSCSRPSARTMVVCVFVLVIAASLTMVLYFLPGCTFTKAGCPPPNSTNGELFPWAELRLPRSIKPLSYDLTFTPDLDRMTFTGKAAIKMSVLHNTNRIVLHAANLNITKATFKLDNGQASDVKVLENIHQQQIAVKFPEELKTNQQCVLTFEYNANLSHSYDGFYNSSYTDKLGNKRVLAATQFEPLSARKAFPCFDEPSFKATFLIKINRKPSYMSLSNMPKARTTPLSSGLEQDEFEKTNVNMSTYLVAFVVANFTSVSSSASGTQVSVYSVPDKTEQTSFALDTASKLLQFYNEFFEIEYPLKKLDLVAIPDFLAGAMENWGLITFRETTLLLDKNSSSLEKQVVASVIAHELAHQWFGNLVTMSWWNDLWLNEGFATYMEYMSLQEILPSLDTGNLFLTVRFRALDKDALNSSHPVSTEVNTPEQIEEMFDSVSYEKGASILLMLNVSLPKEQQFKKGIIHYLNSFRGSNTETMDLWNSLMQVSTPLRNISEMMSSWTSQKGFPLVTLSRKGDMATFSQEPFLLTSDNTTKAPRRWNIPITLVNDSCSLAPECRQMFSLSEKSGSLKVPESVKWIKLNYKNTGFYVVDYGQDGWNAIHDALSENISVLTAEDRASVIHNTFALSRLGRVPFEQVCHMLSFMPNETETAPVTEALLQLNSIYRLLDKRQESDLASRMKTYILSQFGSLMESQTWKEEQSLSKQELRSALVSTACALNNDGCVEKAKSLFKNYTDCNYTNKIPGDLQQAVFAVAAQSEDSWKALLTLYATTTNDAQKRKMLKGLASSQDPRHIAWILKAGLNGDIIQTQELPLIINTVCHGFAGYLFAWDFIQVNWDRLIEKFPLGSFAIQTIVKSTTSQFSTQAHLDQVQAFFSSLKQRGSQMRSVQEALETIRLNKRWMENNLQAMRKFL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	29.8	Very low	229 Å²	229	152.3 Å²	152.3	100%	1.128	78%	0.78	S	S	*	*				0	111.5	0	-159.9	162.4	-178.4	0	0	105.6
2	D	28	Very low	29.7	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	77%	0.773	S	S	*	*			trans	58.3	112.5	161.8	-55.3	-13.2	0	0	0	124
3	L	31.5	Very low	29.4	Very low	128 Å²	128	146.8 Å²	146.8	67%	0.67	78%	0.775	S	S	*	*				64.9	152.1	116.1	-58.3	172.6	0	0	0	120.2
4	F	31.5	Very low	29.5	Very low	164 Å²	164	146.2 Å²	146.2	72%	0.719	77%	0.771	S	S	*	*			cis	-151	121.4	-3.9	-110.2	-63.4	0	0	0	108.2
5	D	34.6	Very low	30.1	Very low	136 Å²	136	145.3 Å²	145.3	73%	0.727	78%	0.777	S	S	*	*				57.8	148.7	111.9	-155.1	16.9	0	0	0	125.4
6	S	30.8	Very low	30.1	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	78%	0.777	S	S	*	*			trans	76.4	150.4	154.9	87.3	0	0	0	0	119.2
7	N	29	Very low	30.1	Very low	131 Å²	131	147.9 Å²	147.9	70%	0.701	77%	0.772	S	S	*	*			cis	-162.4	158.3	1.4	-132.6	-19.6	0	0	0	114.7
8	N	28.1	Very low	29.9	Very low	133 Å²	133	148.4 Å²	148.4	71%	0.711	77%	0.772	S	S	*	*			trans	55.5	115.6	147.2	-70.1	-27.5	0	0	0	125.8
9	A	27.7	Very low	29.7	Very low	90 Å²	90	147.9 Å²	147.9	74%	0.744	77%	0.769	S	S	*	*				44.5	130.9	114.6	0	0	0	0	0	123.4
10	E	28	Very low	29.6	Very low	199 Å²	199	147.9 Å²	147.9	93%	0.93	77%	0.765	S	S	*	*				-170.1	172.5	101.9	-106.5	-165.8	155.1	0	0	115
11	R	28.5	Very low	29.4	Very low	246 Å²	246	147 Å²	147	93%	0.928	76%	0.762	S	S	*	*			trans	-89.9	157.1	-177.3	-68.9	164.7	156.2	162	-8.4	112.6
12	A	28.1	Very low	29.2	Very low	85 Å²	85	141 Å²	141	70%	0.702	74%	0.743	S	S	*	*				173	136.4	114.3	0	0	0	0	0	116.4
13	N	26.1	Very low	29	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	75%	0.748	S	S	*	*			trans	50.4	110.3	137	-57.7	-15.6	0	0	0	123.8
14	L	30.5	Very low	28.8	Very low	138 Å²	138	144.5 Å²	144.5	72%	0.723	75%	0.751	S	S	*	*				28.9	141.3	108.7	-78	168.8	0	0	0	120.1
15	P	38.2	Very low	28.7	Very low	132 Å²	132	144.2 Å²	144.2	86%	0.857	75%	0.752	S	S	*	*				-131.1	-171.7	90.9	37.4	-26.7	0	0	0	115.6
16	R	30	Very low	28.4	Very low	204 Å²	204	147 Å²	147	77%	0.77	76%	0.76	S	S	*	*			trans	-147	163.1	-148.2	-146.6	-167.5	-178	178.5	-0.3	111.2
17	N	31.2	Very low	28.3	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	77%	0.771	S	S	*	*			trans	74.3	147.4	162.7	-49.7	-18.6	0	0	0	116.4
18	M	25.8	Very low	29	Very low	156 Å²	156	150 Å²	150	77%	0.768	77%	0.769	S	S	*	*			cis	-159	144.9	44.7	-83.5	-164.3	-52.7	0	0	114
19	I	26.8	Very low	29	Very low	140 Å²	140	150.4 Å²	150.4	72%	0.718	77%	0.771	S	S	*	*				58.4	143	122.7	-58.4	174.9	0	0	0	119.9
20	E	26.8	Very low	29	Very low	146 Å²	146	152.1 Å²	152.1	68%	0.682	77%	0.772	S	S	*	*			cis	-179.1	164.8	-21.8	-147.8	174.4	-128.3	0	0	109.3
21	N	26.1	Very low	28.9	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	77%	0.769	S	S	*	*			trans	78.6	129.6	151.2	-64.2	-34.5	0	0	0	126.5
22	S	25.3	Very low	28.8	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	76%	0.759	S	S	*	*				89.8	89.7	128.2	69.8	0	0	0	0	123.4
23	M	24.3	Very low	28.8	Very low	165 Å²	165	148.3 Å²	148.3	81%	0.813	77%	0.769	S	S	*	*				39.9	139.2	96.8	-132.9	-178.5	-50.7	0	0	122
24	F	27.5	Very low	28.7	Very low	164 Å²	164	145.3 Å²	145.3	72%	0.719	77%	0.765	S	S	*	*			trans	110.2	147.9	154.2	-83.9	-71.6	0	0	0	121.8
25	E	29	Very low	28.6	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	77%	0.772	S	S	*	*			trans	-77.2	160.5	-157.7	-60.8	152.7	148	0	0	115.4
26	E	27.9	Very low	28.1	Very low	194 Å²	194	149.1 Å²	149.1	91%	0.907	77%	0.769	S	S	*	*				171.2	132.3	116.5	-91.8	-179.8	169.6	0	0	112.9
27	E	28.7	Very low	27.8	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	77%	0.767	S	S	*	*			trans	-91.6	168.4	153.8	-81.7	-170.5	168.4	0	0	108
28	P	44.8	Very low	27.5	Very low	103 Å²	103	145.5 Å²	145.5	67%	0.669	77%	0.773	S	S	*	*			cis	-152	-168.5	30.9	43.8	-21.1	0	0	0	118.7
29	D	27.5	Very low	27.4	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	77%	0.772	S	S	*	*			trans	83.9	106.4	147.4	-73.9	-13.8	0	0	0	124.4
30	V	27.2	Very low	27.3	Very low	126 Å²	126	147.2 Å²	147.2	76%	0.764	78%	0.782	S	S	*	*				46.9	117.4	123.8	-172	0	0	0	0	120.1
31	V	26.8	Very low	27.4	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	79%	0.788	S	S	*	*				-160.8	141.4	114.6	165.4	0	0	0	0	110
32	D	27	Very low	27.3	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	79%	0.793	S	S	*	*			trans	-71	153.3	179.2	-158.2	-9.8	0	0	0	114.4
33	L	26.6	Very low	27.3	Very low	172 Å²	172	150.7 Å²	150.7	90%	0.901	80%	0.8	S	S	*	*			trans	175.5	123.7	139.8	-97.4	166.5	0	0	0	113.3
34	A	25.1	Very low	27.5	Very low	86 Å²	86	148.6 Å²	148.6	71%	0.711	80%	0.798	S	S	*	*			trans	-70	149.6	-175.3	0	0	0	0	0	116.7
35	K	27.3	Very low	27.5	Very low	200 Å²	200	147.2 Å²	147.2	87%	0.87	80%	0.804	S	S	*	*				-173.9	144.4	113.9	-101.2	171.2	-177	-179.5	0	114.8
36	D	27.8	Very low	27.5	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	81%	0.811	S	S	*	*			trans	-55.8	145	-169.1	-46.9	-64.7	0	0	0	117.7
37	S	25	Very low	27.4	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	81%	0.807	S	S	*	*				173.9	126.9	97.8	65.6	0	0	0	0	114.5
38	N	23.7	Very low	27.6	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	80%	0.802	S	S	*	*			trans	32.2	133.6	140	-62.4	-8.7	0	0	0	120.2
39	T	25.4	Very low	27.1	Very low	121 Å²	121	145.2 Å²	145.2	74%	0.742	81%	0.81	S	S	*	*			cis	-156.7	137.2	25.9	43.6	0	0	0	0	113.7
40	F	22.8	Very low	27.4	Very low	210 Å²	210	147.9 Å²	147.9	92%	0.921	82%	0.818	S	S	*	*			trans	-154.7	127.8	147.8	-92	-80.8	0	0	0	107.9
41	P	29.2	Very low	27.5	Very low	126 Å²	126	146.6 Å²	146.6	82%	0.818	82%	0.82	S	S	*	*			trans	-99.4	113.4	170.2	32.2	-24.9	0	0	0	111.4
42	T	24.7	Very low	27.4	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	82%	0.817	S	S	*	*			trans	-68.9	165.6	157.7	34.2	0	0	0	0	111.1
43	F	25.8	Very low	27.7	Very low	199 Å²	199	143.7 Å²	143.7	87%	0.873	81%	0.805	S	S	*	*			trans	-43.5	131.4	178.8	-65.7	-93.6	0	0	0	113.9	T45	F43-T45 PolarHBondContact O-N 3.16Å
44	P	28	Very low	27.6	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.5	123.1	170	29	-30	0	0	0	110.4
45	T	26.9	Very low	27.8	Very low	136 Å²	136	143.5 Å²	143.5	83%	0.834	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-57.3	131.5	152.7	41.5	0	0	0	0	109	F43 D47	F43-T45 PolarHBondContact O-N 3.16Å; T45-D47 PolarHBondContact O-N 2.66Å
46	L	30.6	Very low	27.9	Very low	172 Å²	172	145.3 Å²	145.3	90%	0.901	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68	117.7	178.3	-74.9	160.4	0	0	0	110.5
47	D	25.3	Very low	27.9	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.6	164.6	-131.3	-18.6	0	0	0	108.7	T45 D49	T45-D47 PolarHBondContact O-N 2.66Å; D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.02Å; D47-D49 VanDerWaalsContact O-N 3.16Å
48	P	32.1	Very low	28.1	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	79%	0.787	S	S	*	*	S	Bend	trans	-91.9	48.1	-168.9	38.3	-36.8	0	0	0	113.2
49	D	34.8	Very low	28.6	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	79%	0.792	S	S	*	*			trans	-154.5	79.4	173.2	-99.1	-35.7	0	0	0	112.6	D47	D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.02Å; D47-D49 VanDerWaalsContact O-N 3.16Å
50	E	32.9	Very low	29.1	Very low	198 Å²	198	148.6 Å²	148.6	93%	0.925	79%	0.794	S	S	*	*	S	Bend	trans	-175.8	136	135.5	-105.4	-174.1	172.4	0	0	110.6
51	A	28.9	Very low	29.6	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	79%	0.787	S	S	*	*			trans	85.3	60.8	-171.7	0	0	0	0	0	116.3	Y53	A51-Y53 PolarHBondContact O-N 3.07Å
52	A	26.6	Very low	29.7	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	79%	0.788	S	S	*	*			trans	-59	103	156.9	0	0	0	0	0	110.2	E54	A52-E54 VanDerWaalsContact C-N 3.26Å; A52-E54 PolarHBondContact O-N 2.86Å
53	Y	31.2	Very low	29.9	Very low	122 Å²	122	152 Å²	152	48%	0.478	80%	0.796	S	S	.	*			trans	-71.7	88.7	161.1	-177.8	-92.9	0	0	0	107.2	A51 P55 F937	A51-Y53 PolarHBondContact O-N 3.07Å; Y53-P55 HydrophobicContact CE1-CB 4.18Å; Y53-P55 WeakPolarHBondContact O-CD 3.5Å; Y53-F937 HydrophobicContact CE1-CD1 4.41Å; Y53-F937 AromaticContact CE1-CE1 3.85Å; Y53-F937 HydrophobicContact CE1-CE1 3.85Å
54	E	25.3	Very low	30	Very low	169 Å²	169	145.9 Å²	145.9	79%	0.79	79%	0.789	S	S	*	*			trans	-70.4	110.3	163	-75.1	-166.7	148.3	0	0	108	A52 R56	A52-E54 VanDerWaalsContact C-N 3.26Å; A52-E54 PolarHBondContact O-N 2.86Å; E54-R56 PolarHBondContact O-N 2.82Å
55	P	29.1	Very low	30	Very low	84 Å²	84	149.3 Å²	149.3	55%	0.545	80%	0.799	S	S	.	*			trans	-60.8	126.6	164.3	27.8	-32.7	0	0	0	106.8	Y53 S57	Y53-P55 HydrophobicContact CE1-CB 4.18Å; Y53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-S57 PolarHBondContact O-N 2.73Å
56	R	29.7	Very low	30.1	Very low	238 Å²	238	146.6 Å²	146.6	90%	0.898	80%	0.798	S	S	*	*			trans	-59.3	105.2	170.8	-83.6	-173.4	171.6	-178.9	-0.7	107.5	E54 S58	E54-R56 PolarHBondContact O-N 2.82Å; R56-S58 PolarHBondContact O-N 3.3Å
57	S	27	Very low	30.3	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	80%	0.797	S	S	*	*			trans	-54.1	104.2	-174.3	53.2	0	0	0	0	109.9	P55 R59	P55-S57 PolarHBondContact O-N 2.73Å; S57-R59 PolarHBondContact O-N 3.49Å
58	S	30.3	Very low	30.5	Very low	91 Å²	91	147.1 Å²	147.1	64%	0.636	80%	0.796	S	S	*	*			trans	-62	110.7	173.6	34.4	0	0	0	0	107.6	R56 L60	R56-S58 PolarHBondContact O-N 3.3Å; S58-L60 PolarHBondContact O-N 2.69Å
59	R	33.4	Very low	30.5	Very low	249 Å²	249	148.6 Å²	148.6	94%	0.94	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	69.1	170.7	-84	-176.5	163.6	-177.1	-3.9	110.1	S57	S57-R59 PolarHBondContact O-N 3.49Å
60	L	36.5	Very low	30.3	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.5	19.1	173.2	-109.1	167.6	0	0	0	113.1	S58	S58-L60 PolarHBondContact O-N 2.69Å
61	L	33.3	Very low	30.1	Very low	145 Å²	145	144.6 Å²	144.6	76%	0.759	78%	0.78	S	S	*	*			trans	-114.5	92.4	164.1	-75.8	170.9	0	0	0	109.3
62	V	31	Very low	30.2	Very low	140 Å²	140	146.6 Å²	146.6	85%	0.848	78%	0.776	S	S	*	*			trans	164.3	101.2	145.6	162.2	0	0	0	0	107.1
63	R	29.7	Very low	30.4	Very low	253 Å²	253	149.5 Å²	149.5	96%	0.955	78%	0.779	S	S	*	*			trans	177.7	110	136.8	-104.7	178.2	175.1	168.2	-0.1	110.6
64	G	26.9	Very low	30.4	Very low	70 Å²	70	151.7 Å²	151.7	72%	0.722	79%	0.794	S	S	*	*			trans	161.2	121.7	173.5	0	0	0	0	0	110.1
65	L	28.8	Very low	30.7	Very low	191 Å²	191	151.7 Å²	151.7	100%	1	79%	0.793	S	S	*	*			trans	93.2	126.6	-178.2	-54.4	172.1	0	0	0	115.8
66	G	27.8	Very low	30.7	Very low	79 Å²	79	154.5 Å²	154.5	81%	0.814	80%	0.804	S	S	*	*			trans	128.9	73.2	171.4	0	0	0	0	0	115
67	E	34.7	Very low	30.5	Very low	187 Å²	187	149.7 Å²	149.7	87%	0.874	81%	0.805	S	S	*	*			trans	-81.9	132.4	152.2	-70	177.8	143.2	0	0	108.2
68	N	31.3	Very low	30.5	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	81%	0.808	S	S	*	*			trans	164.8	112.9	138.2	-84	-11.9	0	0	0	111.2
69	D	31.8	Very low	30.4	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	81%	0.812	S	S	*	*			trans	42.5	135.7	135.7	-64.6	-11.5	0	0	0	124.3
70	M	29.2	Very low	30.3	Very low	153 Å²	153	146.9 Å²	146.9	75%	0.754	80%	0.804	S	S	*	*			trans	96.9	120.9	142.6	-78	170	64.2	0	0	121.7
71	D	29.5	Very low	30	Very low	116 Å²	116	143.6 Å²	143.6	62%	0.62	80%	0.799	S	S	*	*			trans	79.4	109.1	139.3	-52.7	-5.7	0	0	0	121.2
72	D	31.7	Very low	29.9	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	80%	0.804	S	S	*	*				44.6	115.9	120.8	-55.7	-12	0	0	0	119.7
73	D	30.6	Very low	29.8	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	80%	0.797	S	S	*	*				-179.6	165.4	92.8	-102	-28	0	0	0	114.8
74	E	31.9	Very low	29.9	Very low	169 Å²	169	142.3 Å²	142.3	79%	0.79	79%	0.789	S	S	*	*			trans	-69.1	172.1	-162.8	-77	177.3	138.3	0	0	121.3
75	E	30.7	Very low	29.9	Very low	168 Å²	168	142 Å²	142	79%	0.785	79%	0.786	S	S	*	*			trans	85.1	96.7	145.7	-84.2	179.4	178.1	0	0	123.2
76	D	28.3	Very low	30	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	78%	0.776	S	S	*	*				50.6	121	115.2	-73	-0.4	0	0	0	123.2
77	C	26.1	Very low	30	Very low	136 Å²	136	140.4 Å²	140.4	92%	0.919	76%	0.762	S	S	*	*				-152.8	139.5	117	-112.8	0	0	0	0	113.9
78	E	26.4	Very low	29.7	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	76%	0.756	S	S	*	*			trans	-74.9	153.2	-175.4	-56.7	-176.5	108.4	0	0	113.8
79	S	28.9	Very low	29.6	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	75%	0.753	S	S	*	*				170.8	145.4	87.7	57.8	0	0	0	0	116.4
80	S	31	Very low	29.3	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	75%	0.753	S	S	*	*			trans	64	98.4	151.1	-61.7	0	0	0	0	118.5
81	A	30	Very low	29.3	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	76%	0.756	S	S	*	*				80.1	140.6	76.7	0	0	0	0	0	112.8
82	R	31.1	Very low	29.3	Very low	227 Å²	227	141.8 Å²	141.8	86%	0.857	76%	0.759	S	S	*	*			cis	-163.7	171.1	7.4	-114.6	163.2	-175.4	171	0.5	104.8
83	L	29.2	Very low	29.1	Very low	133 Å²	133	139.8 Å²	139.8	70%	0.696	76%	0.756	S	S	*	*			cis	-161.3	134.1	25.2	-143.3	140.6	0	0	0	109.1
84	L	31.2	Very low	29	Very low	151 Å²	151	137.1 Å²	137.1	79%	0.791	75%	0.75	S	S	*	*			trans	8.9	145.4	153.6	-44.7	166.9	0	0	0	120
85	G	27.8	Very low	28.9	Very low	64 Å²	64	136.2 Å²	136.2	66%	0.66	75%	0.745	S	S	*	*			cis	148.6	154.7	-1.1	0	0	0	0	0	113.2
86	M	30	Very low	28.8	Very low	161 Å²	161	138.2 Å²	138.2	79%	0.793	75%	0.746	S	S	*	*			trans	67.3	146.1	136.1	-62.9	-173.8	75.6	0	0	119.9	F88	M86-F88 HydrophobicContact CE-CE2 4.47Å
87	S	28.9	Very low	28.8	Very low	74 Å²	74	136 Å²	136	52%	0.517	74%	0.741	S	S	.	*			cis	176.1	165.8	-11.1	51.4	0	0	0	0	110.3
88	F	28	Very low	29	Very low	170 Å²	170	134.5 Å²	134.5	75%	0.746	73%	0.733	S	S	*	*			trans	66.1	154.9	156.2	-65.3	-54	0	0	0	117.8	M86	M86-F88 HydrophobicContact CE-CE2 4.47Å
89	M	28.7	Very low	29.2	Very low	152 Å²	152	132 Å²	132	75%	0.749	73%	0.734	S	S	*	*			cis	-146.3	138.8	-8.2	-110.3	168.2	-138.9	0	0	105.8
90	N	26.5	Very low	29.4	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	74%	0.737	S	S	*	*				60.7	141.5	82.8	-150.2	0.1	0	0	0	117.1
91	R	29.1	Very low	30.5	Very low	215 Å²	215	132.1 Å²	132.1	81%	0.811	73%	0.733	S	S	*	*			trans	83.8	96.1	165.6	-74.5	-172.6	176.7	178.2	-0.1	122.4
92	S	28.4	Very low	30.6	Very low	100 Å²	100	138 Å²	138	70%	0.699	74%	0.738	S	S	*	*				73.4	142.2	110.5	69	0	0	0	0	124.4
93	S	29.3	Very low	30.7	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	73%	0.732	S	S	*	*			trans	73.1	98	140	61.4	0	0	0	0	121.4
94	S	28.2	Very low	31	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	74%	0.741	S	S	*	*				61.7	148.3	117.5	66.8	0	0	0	0	123.5
95	H	28.9	Very low	31.1	Very low	150 Å²	150	139.5 Å²	139.5	69%	0.694	75%	0.746	S	S	*	*			trans	91.9	102.2	154.5	-75.3	-54.2	0	0	0	122.1
96	R	29.2	Very low	31.3	Very low	211 Å²	211	141.6 Å²	141.6	80%	0.796	75%	0.75	S	S	*	*				65.2	109.3	114.8	-88.1	-172.7	-177	172.4	-0.5	120.4
97	S	27.7	Very low	32.8	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	75%	0.749	S	S	*	*				65.8	116.4	120.4	67.9	0	0	0	0	121.6
98	S	30.9	Very low	33.9	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	76%	0.759	S	S	*	*				68.7	121.8	129.2	65.6	0	0	0	0	121.1
99	S	30.6	Very low	34.3	Very low	123 Å²	123	145.1 Å²	145.1	86%	0.86	77%	0.768	S	S	*	*				140	122.9	126.9	62.5	0	0	0	0	113.3
100	S	32.9	Very low	34.9	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	77%	0.77	S	S	*	*			trans	-78.3	169.8	163.3	-134.5	0	0	0	0	109
101	P	53.7	Low	35.6	Very low	105 Å²	105	142.5 Å²	142.5	68%	0.682	77%	0.774	S	S	*	*				-155	-174.6	56.2	31.2	-3.7	0	0	0	118.8
102	Y	32.3	Very low	36.7	Very low	206 Å²	206	138 Å²	138	81%	0.808	78%	0.776	S	S	*	*			trans	85.2	80	158.7	-71.1	-70	0	0	0	123
103	V	34.3	Very low	38.1	Very low	121 Å²	121	144.5 Å²	144.5	73%	0.733	79%	0.785	S	S	*	*				33.4	119.9	105	-174.5	0	0	0	0	119.1
104	R	35.1	Very low	39.6	Very low	230 Å²	230	143.6 Å²	143.6	87%	0.868	78%	0.777	S	S	*	*				169.9	128.6	94.4	-152	176.6	-125.6	-174.7	2.2	114.1
105	Q	32.1	Very low	41.7	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	77%	0.767	S	S	*	*			trans	175.6	159.2	130.9	-97.5	-179.4	14.8	0	0	111.5
106	S	33.3	Very low	43.6	Very low	108 Å²	108	138.7 Å²	138.7	76%	0.755	77%	0.765	S	S	*	*			trans	-169.8	-179.6	-167.2	59.2	0	0	0	0	110.7
107	P	61.8	Low	45.6	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	76%	0.764	S	S	*	*			cis	-106.3	-119.2	-25.4	35.4	-16.8	0	0	0	106.5
108	P	51	Low	47.8	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	75%	0.753	S	S	*	*			cis	-110.9	-167.8	-31.7	44.9	-31	0	0	0	111.2
109	R	35.9	Very low	49.9	Very low	250 Å²	250	138.4 Å²	138.4	94%	0.943	75%	0.747	S	S	*	*			cis	-121.7	-172.7	-4	-87	-170.8	169.3	153.1	-0.9	109.9
110	S	41.2	Very low	52.3	Low	113 Å²	113	137.3 Å²	137.3	79%	0.79	74%	0.735	S	S	*	*			trans	-103.2	142.4	-172.7	55.1	0	0	0	0	115.3
111	C	42.5	Very low	54.8	Low	127 Å²	127	136.1 Å²	136.1	86%	0.858	72%	0.723	S	S	*	*			trans	-104.6	141.8	147.5	-87.3	0	0	0	0	109.9	R113	C111-R113 PolarHBondContact O-N 3.28Å
112	S	51.4	Low	55.9	Low	121 Å²	121	134.5 Å²	134.5	85%	0.846	71%	0.713	S	S	*	*			trans	-69.4	112.7	-177.3	50	0	0	0	0	111.9
113	R	57.4	Low	58.5	Low	236 Å²	236	128.9 Å²	128.9	89%	0.891	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-70.1	139.6	167.5	-72.6	-177.9	173.5	174.9	-2.6	109.8	C111	C111-R113 PolarHBondContact O-N 3.28Å
114	P	60.1	Low	61	Low	78 Å²	78	129.5 Å²	129.5	51%	0.506	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-60.7	147.4	171.2	26.8	-33.9	0	0	0	110.2	T118	P114-T118 HydrophobicContact CB-CG2 4.31Å
115	S	72.6	Confident	63.5	Low	70 Å²	70	122.7 Å²	122.7	49%	0.49	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-54.1	146.1	178.5	175.8	0	0	0	0	111.2	R117 T118 M119	S115-R117 PolarHBondContact O-N 3.4Å; S115-R117 VanDerWaalsContact O-N 3.1Å; S115-R117 PolarHBondContact OG-N 2.93Å; S115-T118 WeakPolarHBondContact O-CA 3.03Å; S115-T118 WeakPolarHBondContact O-CB 3.1Å; S115-T118 PolarHBondContact O-N 2.99Å; S115-M119 PolarHBondContact O-N 3.37Å
116	A	68.8	Low	66.1	Low	78 Å²	78	119.2 Å²	119.2	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-53.5	-32.4	174.2	0	0	0	0	0	112	T118 M119 V120	A116-T118 PolarHBondContact O-N 3.02Å; A116-M119 PolarHBondContact O-N 2.96Å; A116-V120 WeakPolarHBondContact O-CB 3.33Å; A116-V120 VanDerWaalsContact O-CG2 3.29Å; A116-V120 WeakPolarHBondContact O-CG2 3.45Å; A116-V120 PolarHBondContact O-N 3.21Å
117	R	72.4	Confident	68.8	Low	210 Å²	210	118 Å²	118	79%	0.792	65%	0.652	S	S	*	*	H	α-helix	trans	-60.4	-42.4	171.7	-76.2	-174.7	171.3	179.1	-3	112.6	S115 V120 V121	S115-R117 PolarHBondContact O-N 3.4Å; S115-R117 VanDerWaalsContact O-N 3.1Å; S115-R117 PolarHBondContact OG-N 2.93Å; R117-V120 PolarHBondContact O-N 2.95Å; R117-V121 WeakPolarHBondContact O-CB 3.49Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.33Å; R117-V121 PolarHBondContact O-N 2.86Å
118	T	73.6	Confident	70.1	Confident	72 Å²	72	116.2 Å²	116.2	44%	0.442	64%	0.635	S	S	.	*	H	α-helix	trans	-65.9	-41.8	178.8	-46.1	0	0	0	0	111.4	P114 S115 A116 V121 C122	P114-T118 HydrophobicContact CB-CG2 4.31Å; S115-T118 WeakPolarHBondContact O-CA 3.03Å; S115-T118 WeakPolarHBondContact O-CB 3.1Å; S115-T118 PolarHBondContact O-N 2.99Å; A116-T118 PolarHBondContact O-N 3.02Å; T118-V121 PolarHBondContact O-N 2.63Å; T118-C122 PolarHBondContact O-N 2.92Å; T118-C122 PolarHBondContact O-SG 3.16Å
119	M	74.8	Confident	71.8	Confident	124 Å²	124	113.2 Å²	113.2	61%	0.611	62%	0.62	S	S	*	*	H	α-helix	trans	-64.4	-45.3	173.6	-84.9	-149.1	169	0	0	112.3	S115 A116 V121 C122 V123	S115-M119 PolarHBondContact O-N 3.37Å; A116-M119 PolarHBondContact O-N 2.96Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 3.31Å; M119-C122 PolarHBondContact O-N 3.2Å; M119-V123 WeakPolarHBondContact O-CG2 3.25Å; M119-V123 PolarHBondContact O-N 2.9Å
120	V	81.9	Confident	74.2	Confident	101 Å²	101	103.8 Å²	103.8	61%	0.612	60%	0.595	S	S	*	*	H	α-helix	trans	-60.2	-42.5	177.4	169.6	0	0	0	0	111.1	A116 R117 V123 F124	A116-V120 WeakPolarHBondContact O-CB 3.33Å; A116-V120 VanDerWaalsContact O-CG2 3.29Å; A116-V120 WeakPolarHBondContact O-CG2 3.45Å; A116-V120 PolarHBondContact O-N 3.21Å; R117-V120 PolarHBondContact O-N 2.95Å; V120-V123 PolarHBondContact O-N 3.47Å; V120-F124 VanDerWaalsContact O-CB 3.23Å; V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 2.8Å
121	V	84.3	Confident	76	Confident	87 Å²	87	101.3 Å²	101.3	53%	0.527	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-44	175.1	170.2	0	0	0	0	111.6	R117 T118 M119 F124 V125	R117-V121 WeakPolarHBondContact O-CB 3.49Å; R117-V121 VanDerWaalsContact O-CG2 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.33Å; R117-V121 PolarHBondContact O-N 2.86Å; T118-V121 PolarHBondContact O-N 2.63Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 3.31Å; V121-F124 PolarHBondContact O-N 3.47Å; V121-V125 HydrophobicContact CG1-CG2 4.41Å; V121-V125 WeakPolarHBondContact O-CB 3.44Å; V121-V125 VanDerWaalsContact O-CG2 3.31Å; V121-V125 WeakPolarHBondContact O-CG2 3.47Å; V121-V125 PolarHBondContact O-N 3.36Å
122	C	77.1	Confident	77.9	Confident	70 Å²	70	100.1 Å²	100.1	47%	0.473	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-42.6	178.2	-65.7	0	0	0	0	112.3	T118 M119 V125 L126	T118-C122 PolarHBondContact O-N 2.92Å; T118-C122 PolarHBondContact O-SG 3.16Å; M119-C122 PolarHBondContact O-N 3.2Å; C122-V125 PolarHBondContact O-N 2.96Å; C122-L126 WeakPolarHBondContact O-CB 3.4Å; C122-L126 WeakPolarHBondContact O-CG 3.2Å; C122-L126 PolarHBondContact O-N 3.06Å
123	V	86.2	Confident	79.2	Confident	89 Å²	89	98.6 Å²	98.6	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-65.1	-41.7	175.6	172.9	0	0	0	0	110.8	M119 V120 L126 V127	M119-V123 WeakPolarHBondContact O-CG2 3.25Å; M119-V123 PolarHBondContact O-N 2.9Å; V120-V123 PolarHBondContact O-N 3.47Å; V123-L126 PolarHBondContact O-N 3.48Å; V123-V127 HydrophobicContact CG1-CG2 4.39Å; V123-V127 WeakPolarHBondContact O-CG2 3.47Å; V123-V127 PolarHBondContact O-N 2.92Å
124	F	86.9	Confident	80.1	Confident	134 Å²	134	92.7 Å²	92.7	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-41.6	177.7	-168.2	-108.1	0	0	0	112.2	V120 V121 V127 I128	V120-F124 VanDerWaalsContact O-CB 3.23Å; V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 2.8Å; V121-F124 PolarHBondContact O-N 3.47Å; F124-V127 PolarHBondContact O-N 2.86Å; F124-I128 HydrophobicContact CD1-CD1 3.72Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CE1-CG1 4.44Å; F124-I128 HydrophobicContact CG-CD1 4.49Å; F124-I128 HydrophobicContact CZ-CD1 3.95Å; F124-I128 WeakPolarHBondContact O-CG1 3.25Å; F124-I128 PolarHBondContact O-N 3.28Å
125	V	88.5	Confident	80.7	Confident	86 Å²	86	93 Å²	93	52%	0.521	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-41.3	173.5	170.9	0	0	0	0	111.4	V121 C122 I128 A129	V121-V125 HydrophobicContact CG1-CG2 4.41Å; V121-V125 WeakPolarHBondContact O-CB 3.44Å; V121-V125 VanDerWaalsContact O-CG2 3.31Å; V121-V125 WeakPolarHBondContact O-CG2 3.47Å; V121-V125 PolarHBondContact O-N 3.36Å; C122-V125 PolarHBondContact O-N 2.96Å; V125-I128 PolarHBondContact O-N 2.87Å; V125-A129 WeakPolarHBondContact O-CB 3.36Å; V125-A129 PolarHBondContact O-N 3.22Å
126	L	86.3	Confident	80.6	Confident	121 Å²	121	95.9 Å²	95.9	63%	0.634	54%	0.542	S	S	*	.	H	α-helix	trans	-64.4	-39.9	175.1	-79.3	166.6	0	0	0	112.5	C122 V123 A129 A130	C122-L126 WeakPolarHBondContact O-CB 3.4Å; C122-L126 WeakPolarHBondContact O-CG 3.2Å; C122-L126 PolarHBondContact O-N 3.06Å; V123-L126 PolarHBondContact O-N 3.48Å; L126-A129 PolarHBondContact O-N 3.08Å; L126-A130 VanDerWaalsContact O-CB 3.26Å; L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 3.27Å
127	V	89.4	Confident	80.7	Confident	83 Å²	83	101.4 Å²	101.4	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-38.2	175.6	169.9	0	0	0	0	111.4	V123 F124 S131	V123-V127 HydrophobicContact CG1-CG2 4.39Å; V123-V127 WeakPolarHBondContact O-CG2 3.47Å; V123-V127 PolarHBondContact O-N 2.92Å; F124-V127 PolarHBondContact O-N 2.86Å; V127-S131 WeakPolarHBondContact O-CB 3.47Å; V127-S131 PolarHBondContact O-N 2.8Å; V127-S131 PolarHBondContact O-OG 3.23Å
128	I	89.3	Confident	79.8	Confident	78 Å²	78	98.3 Å²	98.3	40%	0.4	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-45.4	173.1	-73.8	172.1	0	0	0	110.7	F124 V125 S131 L132	F124-I128 HydrophobicContact CD1-CD1 3.72Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CE1-CG1 4.44Å; F124-I128 HydrophobicContact CG-CD1 4.49Å; F124-I128 HydrophobicContact CZ-CD1 3.95Å; F124-I128 WeakPolarHBondContact O-CG1 3.25Å; F124-I128 PolarHBondContact O-N 3.28Å; V125-I128 PolarHBondContact O-N 2.87Å; I128-S131 PolarHBondContact O-N 3.18Å; I128-L132 HydrophobicContact CG2-CD1 3.83Å; I128-L132 HydrophobicContact CG2-CG 4.48Å; I128-L132 WeakPolarHBondContact O-CB 3Å; I128-L132 WeakPolarHBondContact O-CG 3.01Å; I128-L132 PolarHBondContact O-N 2.97Å
129	A	88.1	Confident	78.6	Confident	49 Å²	49	99 Å²	99	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-47	178.2	0	0	0	0	0	111.7	V125 L126 L132 T133	V125-A129 WeakPolarHBondContact O-CB 3.36Å; V125-A129 PolarHBondContact O-N 3.22Å; L126-A129 PolarHBondContact O-N 3.08Å; A129-L132 PolarHBondContact O-N 2.67Å; A129-T133 PolarHBondContact O-N 3.34Å; A129-T133 PolarHBondContact O-OG1 3.26Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å
130	A	84.5	Confident	77.3	Confident	52 Å²	52	96.9 Å²	96.9	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-40.3	175.9	0	0	0	0	0	112.3	L126 T133 M134	L126-A130 VanDerWaalsContact O-CB 3.26Å; L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 3.27Å; A130-T133 WeakPolarHBondContact CA-OG1 3.44Å; A130-T133 PolarHBondContact O-N 2.95Å; A130-T133 PolarHBondContact O-OG1 3.25Å; A130-T133 VanDerWaalsContact O-OG1 3.11Å; A130-M134 WeakPolarHBondContact O-CB 3.4Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 2.71Å
131	S	79.8	Confident	75.3	Confident	62 Å²	62	96.4 Å²	96.4	43%	0.434	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-41.4	173.8	-60.9	0	0	0	0	111.8	V127 I128 M134 V135	V127-S131 WeakPolarHBondContact O-CB 3.47Å; V127-S131 PolarHBondContact O-N 2.8Å; V127-S131 PolarHBondContact O-OG 3.23Å; I128-S131 PolarHBondContact O-N 3.18Å; S131-M134 PolarHBondContact O-N 2.84Å; S131-V135 WeakPolarHBondContact O-CB 3.17Å; S131-V135 VanDerWaalsContact O-CG2 3.28Å; S131-V135 WeakPolarHBondContact O-CG2 3.45Å; S131-V135 PolarHBondContact O-N 2.65Å
132	L	82.5	Confident	73.2	Confident	102 Å²	102	94.6 Å²	94.6	53%	0.534	54%	0.542	S	S	.	.	H	α-helix	trans	-67.1	-41.3	177.1	-79.5	166.3	0	0	0	112.2	I128 A129 V135 L136	I128-L132 HydrophobicContact CG2-CD1 3.83Å; I128-L132 HydrophobicContact CG2-CG 4.48Å; I128-L132 WeakPolarHBondContact O-CB 3Å; I128-L132 WeakPolarHBondContact O-CG 3.01Å; I128-L132 PolarHBondContact O-N 2.97Å; A129-L132 PolarHBondContact O-N 2.67Å; L132-V135 PolarHBondContact O-N 3.46Å; L132-L136 WeakPolarHBondContact O-CB 3.28Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.83Å
133	T	79.2	Confident	71.4	Confident	89 Å²	89	96.1 Å²	96.1	55%	0.546	55%	0.549	S	S	.	.	H	α-helix	trans	-68.1	-38.2	173.5	41.4	0	0	0	0	112.3	A129 A130 L136 Y137	A129-T133 PolarHBondContact O-N 3.34Å; A129-T133 PolarHBondContact O-OG1 3.26Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å; A130-T133 WeakPolarHBondContact CA-OG1 3.44Å; A130-T133 PolarHBondContact O-N 2.95Å; A130-T133 PolarHBondContact O-OG1 3.25Å; A130-T133 VanDerWaalsContact O-OG1 3.11Å; T133-L136 PolarHBondContact O-N 3.45Å; T133-Y137 WeakPolarHBondContact O-CB 3.39Å; T133-Y137 PolarHBondContact O-N 3.49Å
134	M	76.6	Confident	69	Low	112 Å²	112	99.4 Å²	99.4	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-62.2	-43.3	172.3	-73	-73.6	-76.9	0	0	111.3	A130 S131 Y137 F138	A130-M134 WeakPolarHBondContact O-CB 3.4Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 2.71Å; S131-M134 PolarHBondContact O-N 2.84Å; M134-Y137 PolarHBondContact O-N 3.36Å; M134-F138 HydrophobicContact CE-CD2 3.95Å; M134-F138 HydrophobicContact CE-CE2 3.57Å; M134-F138 WeakPolarHBondContact O-CB 3.47Å; M134-F138 WeakPolarHBondContact O-CD2 3.31Å; M134-F138 PolarHBondContact O-N 3.38Å; M134-F138 HydrophobicContact SD-CD2 4.04Å; M134-F138 HydrophobicContact SD-CE2 3.69Å
135	V	71.9	Confident	66.9	Low	85 Å²	85	96.8 Å²	96.8	52%	0.515	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-42.6	174.3	168.7	0	0	0	0	111.1	S131 L132 Y137 L139	S131-V135 WeakPolarHBondContact O-CB 3.17Å; S131-V135 VanDerWaalsContact O-CG2 3.28Å; S131-V135 WeakPolarHBondContact O-CG2 3.45Å; S131-V135 PolarHBondContact O-N 2.65Å; L132-V135 PolarHBondContact O-N 3.46Å; V135-Y137 VanDerWaalsContact C-N 3.31Å; V135-Y137 PolarHBondContact O-N 3.03Å; V135-L139 HydrophobicContact CG1-CD1 4.05Å; V135-L139 HydrophobicContact CG1-CG 4.29Å; V135-L139 WeakPolarHBondContact O-CA 3.22Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 WeakPolarHBondContact O-CD1 3.38Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 2.99Å
136	L	71.3	Confident	64.8	Low	129 Å²	129	103.6 Å²	103.6	68%	0.675	57%	0.574	S	S	*	*	H	α-helix	trans	-68.4	-27	177.3	-74.1	165.6	0	0	0	113.8	L132 T133	L132-L136 WeakPolarHBondContact O-CB 3.28Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.83Å; T133-L136 PolarHBondContact O-N 3.45Å
137	Y	70.2	Confident	62.7	Low	194 Å²	194	102.4 Å²	102.4	76%	0.761	58%	0.582	S	S	*	*	H	α-helix	trans	-92.6	-29.6	-178.3	-164.1	-89.8	0	0	0	113.3	T133 M134 V135	T133-Y137 WeakPolarHBondContact O-CB 3.39Å; T133-Y137 PolarHBondContact O-N 3.49Å; M134-Y137 PolarHBondContact O-N 3.36Å; V135-Y137 VanDerWaalsContact C-N 3.31Å; V135-Y137 PolarHBondContact O-N 3.03Å
138	F	53.9	Low	60.5	Low	146 Å²	146	100 Å²	100	64%	0.64	57%	0.574	S	S	*	*	H	α-helix	trans	-101.3	-2	175.4	-73.4	-81.5	0	0	0	113.9	M134 P140	M134-F138 HydrophobicContact CE-CD2 3.95Å; M134-F138 HydrophobicContact CE-CE2 3.57Å; M134-F138 WeakPolarHBondContact O-CB 3.47Å; M134-F138 WeakPolarHBondContact O-CD2 3.31Å; M134-F138 PolarHBondContact O-N 3.38Å; M134-F138 HydrophobicContact SD-CD2 4.04Å; M134-F138 HydrophobicContact SD-CE2 3.69Å; F138-P140 WeakPolarHBondContact O-CD 3.3Å
139	L	47.9	Very low	58.5	Low	86 Å²	86	99.3 Å²	99.3	45%	0.45	58%	0.575	S	S	.	*	S	Bend	trans	-57.4	124.7	157.1	-94.6	165	0	0	0	107.4	V135	V135-L139 HydrophobicContact CG1-CD1 4.05Å; V135-L139 HydrophobicContact CG1-CG 4.29Å; V135-L139 WeakPolarHBondContact O-CA 3.22Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 WeakPolarHBondContact O-CD1 3.38Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 2.99Å
140	P	47.1	Very low	56.7	Low	80 Å²	80	101.4 Å²	101.4	52%	0.519	59%	0.585	S	S	.	*			trans	-56.7	158	169.1	-18.5	30.4	0	0	0	109.4	F138 C142	F138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-C142 HydrophobicContact CB-CB 4.38Å; P140-C142 CarbonylContact O-C 3.53Å; P140-C142 PolarHBondContact O-N 2.73Å
141	G	41.2	Very low	55.5	Low	90 Å²	90	101.4 Å²	101.4	93%	0.928	58%	0.58	S	S	*	*	S	Bend	trans	-57.7	-4.2	170.8	0	0	0	0	0	114.8	T143	G141-T143 PolarHBondContact O-N 3.35Å
142	C	39.7	Very low	55.2	Low	49 Å²	49	100.2 Å²	100.2	33%	0.331	57%	0.571	S	S	.	*			trans	-75.5	97.8	164.3	-61.4	0	0	0	0	110.9	P140 F144	P140-C142 HydrophobicContact CB-CB 4.38Å; P140-C142 CarbonylContact O-C 3.53Å; P140-C142 PolarHBondContact O-N 2.73Å; C142-F144 PolarHBondContact O-N 3.39Å
143	T	38	Very low	54.9	Low	103 Å²	103	100.8 Å²	100.8	63%	0.632	58%	0.575	S	S	*	*			trans	-59.3	103.9	159.1	49.5	0	0	0	0	109.2	G141 T145	G141-T143 PolarHBondContact O-N 3.35Å; T143-T145 PolarHBondContact O-N 2.93Å
144	F	37.8	Very low	54.9	Low	157 Å²	157	96.9 Å²	96.9	69%	0.689	55%	0.551	S	S	*	*			trans	-65.8	83.1	170.6	-86.6	-87.8	0	0	0	110.1	C142	C142-F144 PolarHBondContact O-N 3.39Å
145	T	42.8	Very low	55.1	Low	79 Å²	79	95.5 Å²	95.5	49%	0.485	55%	0.549	S	S	.	.	B	Isolated β-bridge	trans	-74.2	162.1	163.1	74.5	0	0	0	0	109.2	T143 A147 G148	T143-T145 PolarHBondContact O-N 2.93Å; T145-A147 PolarHBondContact O-N 3.37Å; T145-A147 PolarHBondContact OG1-N 2.98Å; T145-G148 PolarHBondContact O-N 3.31Å; T145-G148 VanDerWaalsContact O-N 3.14Å
146	K	43.3	Very low	55.6	Low	230 Å²	230	95 Å²	95	100%	1	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-4.7	170.9	-99.3	-175.5	174.4	-178.6	0	114.5
147	A	41.8	Very low	56.1	Low	95 Å²	95	91.5 Å²	91.5	79%	0.785	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	1.6	179.2	0	0	0	0	0	114.3	T145	T145-A147 PolarHBondContact O-N 3.37Å; T145-A147 PolarHBondContact OG1-N 2.98Å
148	G	44.3	Very low	57	Low	33 Å²	33	86 Å²	86	34%	0.34	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	85.5	-171.9	-178	0	0	0	0	0	113.9	T145	T145-G148 PolarHBondContact O-N 3.31Å; T145-G148 VanDerWaalsContact O-N 3.14Å
149	C	46.4	Very low	58.6	Low	64 Å²	64	83.4 Å²	83.4	43%	0.432	51%	0.512	S	S	.	.	S	Bend	trans	-64.2	139.1	174	-69.8	0	0	0	0	110.4
150	P	51.5	Low	60.8	Low	93 Å²	93	79.3 Å²	79.3	60%	0.604	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-60.9	136.3	174.1	26.1	-33	0	0	0	109.7
151	P	59	Low	63	Low	51 Å²	51	76.8 Å²	76.8	33%	0.331	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-60.6	146.9	179.7	-2.9	5.3	0	0	0	111.6	L159 F160	P151-L159 HydrophobicContact CB-CB 4.45Å; P151-L159 HydrophobicContact CB-CD2 4.43Å; P151-L159 HydrophobicContact CG-CB 4.29Å; P151-L159 HydrophobicContact CG-CD1 4.47Å; P151-L159 HydrophobicContact CG-CD2 4.25Å; P151-L159 WeakPolarHBondContact O-CD2 3.24Å; P151-F160 WeakPolarHBondContact CB-O 3.17Å
152	P	73	Confident	65.5	Low	38 Å²	38	75.1 Å²	75.1	25%	0.247	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-60.8	149	175.4	23.8	-30.3	0	0	0	111.2	F160 W162 N235	P152-F160 HydrophobicContact CG-CB 4.24Å; P152-F160 HydrophobicContact CG-CD1 4.41Å; P152-F160 WeakPolarHBondContact O-CB 3.48Å; P152-F160 PolarHBondContact O-N 2.87Å; P152-W162 VanDerWaalsContact CD-O 3.25Å; P152-W162 WeakPolarHBondContact CD-O 3.48Å; P152-W162 WeakPolarHBondContact CG-O 3.34Å; P152-N235 VanDerWaalsContact CG-ND2 3.33Å; P152-N235 WeakPolarHBondContact CG-ND2 3.28Å
153	N	75.8	Confident	68	Low	113 Å²	113	74.8 Å²	74.8	60%	0.604	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-74.2	138.1	173.4	-72.6	-11.3	0	0	0	110.1
154	S	79.9	Confident	70.6	Confident	7 Å²	7	75.4 Å²	75.4	5%	0.049	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-81.4	165.9	168.8	67.4	0	0	0	0	111.6	N156 G157 E158 E234	S154-N156 PolarHBondContact O-N 2.96Å; S154-N156 PolarHBondContact OG-OD1 2.96Å; S154-N156 VanDerWaalsContact OG-OD1 3.08Å; S154-G157 PolarHBondContact O-N 3.25Å; S154-E158 WeakPolarHBondContact CB-O 3.23Å; S154-E158 PolarHBondContact N-O 3.07Å; S154-E158 PolarHBondContact OG-O 3.05Å; S154-E234 CarbonylContact C-O 3.41Å; S154-E234 WeakPolarHBondContact CA-O 3.36Å; S154-E234 WeakPolarHBondContact CB-O 3.27Å
155	T	81.1	Confident	73.2	Confident	83 Å²	83	71 Å²	71	51%	0.509	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.5	-176.9	52.2	0	0	0	0	114.9	E234 I236	T155-E234 HydrophobicContact CG2-CB 4.27Å; T155-E234 HydrophobicContact CG2-CG 4.2Å; T155-E234 PolarHBondContact N-O 3.03Å; T155-E234 PolarHBondContact OG1-OE2 3.13Å; T155-I236 HydrophobicContact CG2-CD1 3.51Å; T155-I236 HydrophobicContact CG2-CG1 3.67Å
156	N	81.6	Confident	75.7	Confident	76 Å²	76	70.2 Å²	70.2	41%	0.406	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	5.8	177.2	68.6	34.1	0	0	0	114.4	S154 E158 K231 L233	S154-N156 PolarHBondContact O-N 2.96Å; S154-N156 PolarHBondContact OG-OD1 2.96Å; S154-N156 VanDerWaalsContact OG-OD1 3.08Å; N156-E158 VanDerWaalsContact OD1-CB 3.3Å; N156-E158 WeakPolarHBondContact OD1-CB 3.16Å; N156-E158 WeakPolarHBondContact OD1-CG 2.99Å; N156-E158 PolarHBondContact OD1-N 2.95Å; N156-K231 WeakPolarHBondContact ND2-CE 3.44Å; N156-L233 VanDerWaalsContact ND2-CD2 3.29Å; N156-L233 WeakPolarHBondContact ND2-CD2 3.18Å
157	G	82.5	Confident	78.3	Confident	55 Å²	55	59.5 Å²	59.5	57%	0.567	36%	0.361	S	S	*	.	S	Bend	trans	87.7	-8.7	179.8	0	0	0	0	0	115.6	S154	S154-G157 PolarHBondContact O-N 3.25Å
158	E	87.4	Confident	81	Confident	79 Å²	79	55.5 Å²	55.5	37%	0.369	33%	0.327	S	S	.	.	S	Bend	trans	-75.6	150.6	172.2	-69.3	-177.3	-161	0	0	112.2	S154 N156 F160 K231 L233	S154-E158 WeakPolarHBondContact CB-O 3.23Å; S154-E158 PolarHBondContact N-O 3.07Å; S154-E158 PolarHBondContact OG-O 3.05Å; N156-E158 VanDerWaalsContact OD1-CB 3.3Å; N156-E158 WeakPolarHBondContact OD1-CB 3.16Å; N156-E158 WeakPolarHBondContact OD1-CG 2.99Å; N156-E158 PolarHBondContact OD1-N 2.95Å; E158-F160 PolarHBondContact O-N 3.25Å; E158-K231 IonicContact OE1-NZ 3.09Å; E158-K231 PolarHBondContact OE1-NZ 3.34Å; E158-K231 IonicContact OE2-NZ 2.72Å; E158-L233 HydrophobicContact CB-CD2 4.31Å; E158-L233 WeakPolarHBondContact OE2-CD2 3.48Å
159	L	88.2	Confident	83.4	Confident	91 Å²	91	59.3 Å²	59.3	48%	0.476	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-61.8	122.5	171.4	-68	170.3	0	0	0	111.2	P151 K244	P151-L159 HydrophobicContact CB-CB 4.45Å; P151-L159 HydrophobicContact CB-CD2 4.43Å; P151-L159 HydrophobicContact CG-CB 4.29Å; P151-L159 HydrophobicContact CG-CD1 4.47Å; P151-L159 HydrophobicContact CG-CD2 4.25Å; P151-L159 WeakPolarHBondContact O-CD2 3.24Å; L159-K244 PolarHBondContact O-NZ 2.82Å
160	F	93.6	Very high	85.8	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.8	134.9	173.9	-167.5	-103.1	0	0	0	109.6	P151 P152 E158 W162 V207 L233 N235 Q240 A242	P151-F160 WeakPolarHBondContact CB-O 3.17Å; P152-F160 HydrophobicContact CG-CB 4.24Å; P152-F160 HydrophobicContact CG-CD1 4.41Å; P152-F160 WeakPolarHBondContact O-CB 3.48Å; P152-F160 PolarHBondContact O-N 2.87Å; E158-F160 PolarHBondContact O-N 3.25Å; F160-W162 HydrophobicContact CD1-CB 4.24Å; F160-W162 WeakPolarHBondContact CD1-O 3.43Å; F160-W162 HydrophobicContact CE1-CB 4.06Å; F160-W162 PolarHBondContact O-N 3.49Å; F160-V207 HydrophobicContact CE1-CG1 4.18Å; F160-V207 HydrophobicContact CZ-CG1 4.13Å; F160-L233 HydrophobicContact CD2-CB 4.06Å; F160-L233 HydrophobicContact CE2-CB 4.37Å; F160-N235 HydrophobicContact CD1-CB 4.02Å; F160-N235 HydrophobicContact CD2-CB 3.85Å; F160-N235 HydrophobicContact CE1-CB 4.11Å; F160-N235 HydrophobicContact CE2-CB 3.93Å; F160-N235 HydrophobicContact CG-CB 3.91Å; F160-N235 HydrophobicContact CZ-CB 4.07Å; F160-Q240 HydrophobicContact CE1-CB 3.98Å; F160-Q240 HydrophobicContact CZ-CB 3.65Å; F160-A242 HydrophobicContact CD2-CB 4.31Å; F160-A242 HydrophobicContact CE1-CB 4.5Å; F160-A242 HydrophobicContact CE2-CB 3.63Å; F160-A242 HydrophobicContact CZ-CB 3.72Å
161	P	93.6	Very high	88	Confident	27 Å²	27	52.8 Å²	52.8	18%	0.175	29%	0.288	C	S	.	.	S	Bend	trans	-82.2	20.9	-164.7	34.6	-37.5	0	0	0	114.8	R205 A242 K244	P161-R205 VanDerWaalsContact O-CD 3.25Å; P161-R205 WeakPolarHBondContact O-CD 3.47Å; P161-R205 PolarHBondContact O-NE 3.38Å; P161-R205 VanDerWaalsContact O-NE 3.09Å; P161-A242 HydrophobicContact CG-CB 3.41Å; P161-A242 VanDerWaalsContact CG-CB 3.41Å; P161-K244 HydrophobicContact CB-CG 4.19Å; P161-K244 HydrophobicContact CG-CG 4.11Å
162	W	94.4	Very high	89.9	Confident	55 Å²	55	55.2 Å²	55.2	21%	0.208	29%	0.294	C	S	.	.			trans	-154.8	146.4	-175.6	-165.9	-116.2	0	0	0	110.2	P152 F160 E164 R166 P168 V207	P152-W162 VanDerWaalsContact CD-O 3.25Å; P152-W162 WeakPolarHBondContact CD-O 3.48Å; P152-W162 WeakPolarHBondContact CG-O 3.34Å; F160-W162 HydrophobicContact CD1-CB 4.24Å; F160-W162 WeakPolarHBondContact CD1-O 3.43Å; F160-W162 HydrophobicContact CE1-CB 4.06Å; F160-W162 PolarHBondContact O-N 3.49Å; W162-E164 HydrophobicContact CZ2-CB 4.12Å; W162-E164 HydrophobicContact CZ2-CG 4.21Å; W162-E164 PolarHBondContact NE1-O 3.4Å; W162-E164 VanDerWaalsContact NE1-O 3.12Å; W162-R166 PolarHBondContact NE1-O 2.89Å; W162-P168 HydrophobicContact CD2-CG 3.7Å; W162-P168 HydrophobicContact CE3-CG 3.86Å; W162-P168 HydrophobicContact CG-CG 4.34Å; W162-P168 HydrophobicContact CH2-CB 4Å; W162-P168 HydrophobicContact CH2-CG 3.94Å; W162-P168 HydrophobicContact CZ2-CB 4.14Å; W162-P168 HydrophobicContact CZ2-CG 3.79Å; W162-P168 HydrophobicContact CZ3-CB 4.24Å; W162-P168 HydrophobicContact CZ3-CG 3.98Å; W162-V207 HydrophobicContact CB-CG1 4.26Å; W162-V207 HydrophobicContact CB-CG2 4.07Å; W162-V207 HydrophobicContact CG-CG1 4.37Å; W162-V207 HydrophobicContact CG-CG2 4.43Å
163	A	91.4	Very high	91.1	Very high	41 Å²	41	53.4 Å²	53.4	34%	0.339	28%	0.282	S	S	.	.			trans	-115.2	-20	-176.5	0	0	0	0	0	113.5	Q238	A163-Q238 PolarHBondContact O-NE2 2.85Å
164	E	93.1	Very high	92.1	Very high	117 Å²	117	50.8 Å²	50.8	55%	0.547	27%	0.268	S	S	.	.			trans	-91.5	148.8	-172.1	-53.7	-56	148.5	0	0	112.5	W162 R166 Q240	W162-E164 HydrophobicContact CZ2-CB 4.12Å; W162-E164 HydrophobicContact CZ2-CG 4.21Å; W162-E164 PolarHBondContact NE1-O 3.4Å; W162-E164 VanDerWaalsContact NE1-O 3.12Å; E164-R166 VanDerWaalsContact C-N 3.28Å; E164-R166 PolarHBondContact O-N 3.46Å; E164-Q240 PolarHBondContact O-NE2 3.39Å
165	L	92.7	Very high	93	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.335	27%	0.272	S	S	.	.	S	Bend	trans	-65.6	-33.5	171.2	-68.4	174.9	0	0	0	112.2	Q238 Q240 T534	L165-Q238 HydrophobicContact CD2-CB 4.29Å; L165-Q238 HydrophobicContact CD2-CG 3.96Å; L165-Q240 PolarHBondContact O-NE2 2.05Å; L165-T534 HydrophobicContact CD1-CG2 4.19Å
166	R	95.8	Very high	93.9	Very high	62 Å²	62	47.5 Å²	47.5	23%	0.234	25%	0.248	C	C	.	.	S	Bend	trans	-76.8	137.5	175.9	-62.7	-59.3	-58.6	-90.5	5.6	110.9	W162 E164 E306 W477	W162-R166 PolarHBondContact NE1-O 2.89Å; E164-R166 VanDerWaalsContact C-N 3.28Å; E164-R166 PolarHBondContact O-N 3.46Å; R166-E306 WeakPolarHBondContact CA-OE1 3.13Å; R166-E306 IonicContact CZ-OE1 3.95Å; R166-E306 IonicContact CZ-OE2 3.95Å; R166-E306 VanDerWaalsContact NE-CD 3.27Å; R166-E306 IonicContact NE-OE1 2.71Å; R166-E306 PolarHBondContact NE-OE1 2.89Å; R166-E306 IonicContact NE-OE2 3.87Å; R166-E306 PolarHBondContact NE-OE2 3.23Å; R166-E306 VanDerWaalsContact NE-OE2 3.09Å; R166-E306 IonicContact NH2-OE2 3.91Å; R166-E306 PolarHBondContact NH2-OE2 3.24Å; R166-W477 VanDerWaalsContact CD-CZ2 3.49Å; R166-W477 VanDerWaalsContact CZ-CE3 3.48Å; R166-W477 VanDerWaalsContact NH1-CD2 3.26Å; R166-W477 VanDerWaalsContact NH1-CG 3.34Å
167	L	97.6	Very high	94.7	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.2	151.6	-178.3	-64	-178.9	0	0	0	112.7	R169 V207 Q240 F304 E306 F309	L167-R169 PolarHBondContact O-N 3.39Å; L167-V207 HydrophobicContact CD2-CG1 4.21Å; L167-Q240 HydrophobicContact CD2-CG 4.2Å; L167-F304 HydrophobicContact CD1-CB 4.11Å; L167-F304 HydrophobicContact CD1-CD1 3.86Å; L167-F304 HydrophobicContact CD1-CG 4.35Å; L167-E306 PolarHBondContact N-OE1 3.4Å; L167-F309 HydrophobicContact CB-CE2 3.92Å; L167-F309 HydrophobicContact CB-CZ 4.13Å; L167-F309 HydrophobicContact CD1-CD2 4.47Å; L167-F309 HydrophobicContact CD1-CE2 4.08Å
168	P	97.1	Very high	95.5	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.071	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59.7	133.9	172.8	-17.2	27.4	0	0	0	112.2	W162 S170 V207	W162-P168 HydrophobicContact CD2-CG 3.7Å; W162-P168 HydrophobicContact CE3-CG 3.86Å; W162-P168 HydrophobicContact CG-CG 4.34Å; W162-P168 HydrophobicContact CH2-CB 4Å; W162-P168 HydrophobicContact CH2-CG 3.94Å; W162-P168 HydrophobicContact CZ2-CB 4.14Å; W162-P168 HydrophobicContact CZ2-CG 3.79Å; W162-P168 HydrophobicContact CZ3-CB 4.24Å; W162-P168 HydrophobicContact CZ3-CG 3.98Å; P168-S170 PolarHBondContact O-N 2.9Å; P168-V207 HydrophobicContact CG-CB 3.92Å; P168-V207 HydrophobicContact CG-CG2 3.99Å
169	R	96.1	Very high	96	Very high	113 Å²	113	41.3 Å²	41.3	43%	0.426	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	7.3	173.8	-59.5	-56.9	-163.5	169.7	8.8	114.3	L167 I171 E306 S308 F309	L167-R169 PolarHBondContact O-N 3.39Å; R169-I171 PolarHBondContact O-N 2.8Å; R169-E306 IonicContact CZ-OE2 3.99Å; R169-E306 IonicContact NH1-OE2 3.05Å; R169-E306 IonicContact NH2-OE2 3.02Å; R169-S308 PolarHBondContact NH1-OG 3.45Å; R169-S308 VanDerWaalsContact NH1-OG 3.08Å; R169-S308 PolarHBondContact NH2-OG 3.49Å; R169-F309 VanDerWaalsContact NH1-CE2 3.35Å; R169-F309 VanDerWaalsContact NH1-CZ 3.25Å
170	S	97	Very high	96.5	Very high	17 Å²	17	37 Å²	37	12%	0.119	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.1	179.3	53.9	0	0	0	0	114.1	P168 L200 H201	P168-S170 PolarHBondContact O-N 2.9Å; S170-L200 PolarHBondContact O-N 3.49Å; S170-H201 PolarHBondContact O-N 3.47Å
171	I	98	Very high	96.8	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140	-176.6	-57.2	-67.5	0	0	0	109.3	R169 M197 V199 T203 I206 F304	R169-I171 PolarHBondContact O-N 2.8Å; I171-M197 HydrophobicContact CG2-CB 3.8Å; I171-M197 HydrophobicContact CG2-CG 3.95Å; I171-M197 HydrophobicContact CG2-SD 3.63Å; I171-V199 HydrophobicContact CD1-CB 4.44Å; I171-V199 HydrophobicContact CD1-CG1 4.44Å; I171-V199 HydrophobicContact CD1-CG2 4Å; I171-T203 HydrophobicContact CD1-CG2 3.82Å; I171-T203 HydrophobicContact CG1-CG2 4.37Å; I171-I206 HydrophobicContact CD1-CG1 4.01Å; I171-I206 HydrophobicContact CG1-CG1 4.06Å; I171-F304 HydrophobicContact CB-CE1 4.16Å; I171-F304 HydrophobicContact CB-CZ 4.24Å; I171-F304 HydrophobicContact CG2-CE1 4.03Å; I171-F304 HydrophobicContact CG2-CE2 4.49Å; I171-F304 HydrophobicContact CG2-CZ 3.65Å
172	K	97.4	Very high	97	Very high	102 Å²	102	38.1 Å²	38.1	44%	0.443	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.1	171.4	178.4	169.9	-178.6	173.1	0	110.1	M197 S198 L200	K172-M197 CarbonylContact O-C 3.58Å; K172-M197 VanDerWaalsContact O-CA 3.28Å; K172-M197 WeakPolarHBondContact O-CA 3Å; K172-S198 PolarHBondContact N-O 2.87Å; K172-S198 PolarHBondContact O-N 3.2Å; K172-L200 HydrophobicContact CB-CD1 3.97Å; K172-L200 HydrophobicContact CB-CD2 4.17Å; K172-L200 HydrophobicContact CB-CG 4.03Å
173	P	98.3	Very high	97.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.4	169.2	31.1	-34.3	0	0	0	110.2	Y176 I195 F304 F309 A311	P173-Y176 HydrophobicContact CB-CE2 4.05Å; P173-I195 HydrophobicContact CB-CG2 4.34Å; P173-F304 HydrophobicContact CB-CD2 4Å; P173-F304 HydrophobicContact CB-CE2 4.49Å; P173-F304 HydrophobicContact CG-CB 4.1Å; P173-F304 HydrophobicContact CG-CD2 4.06Å; P173-F304 HydrophobicContact CG-CG 4.12Å; P173-F309 HydrophobicContact CG-CB 3.9Å; P173-F309 HydrophobicContact CG-CD1 4.37Å; P173-A311 HydrophobicContact CB-CB 4.28Å; P173-A311 HydrophobicContact CG-CB 4.49Å
174	L	98.1	Very high	97.4	Very high	57 Å²	57	36.1 Å²	36.1	30%	0.298	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-42.7	179.5	-57.4	178.6	0	0	0	110.8	K196 T312	L174-K196 HydrophobicContact CD1-CG 4.47Å; L174-K196 PolarHBondContact N-O 3.44Å; L174-T312 PolarHBondContact O-N 2.83Å; L174-T312 VanDerWaalsContact O-N 3.15Å; L174-T312 PolarHBondContact O-OG1 3.42Å; L174-T312 VanDerWaalsContact O-OG1 3.1Å
175	S	98.6	Very high	97.4	Very high	21 Å²	21	35.9 Å²	35.9	15%	0.147	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	148.8	174.8	66.2	0	0	0	0	113.8	K196 T312	S175-K196 PolarHBondContact N-O 3.25Å; S175-K196 PolarHBondContact O-N 3.48Å; S175-T312 CarbonylContact C-O 3.3Å; S175-T312 WeakPolarHBondContact CA-O 3.48Å; S175-T312 WeakPolarHBondContact CB-OG1 3.49Å
176	Y	98.9	Very high	97.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.2	170.9	-62.6	-100.5	0	0	0	110.2	P173 L178 A194 I195 F301 C303 F304 A311 T312 F313 L314	P173-Y176 HydrophobicContact CB-CE2 4.05Å; Y176-L178 HydrophobicContact CD1-CD2 4.27Å; Y176-A194 WeakPolarHBondContact CA-O 3.47Å; Y176-I195 HydrophobicContact CD1-CB 4.3Å; Y176-I195 HydrophobicContact CD1-CD1 4.35Å; Y176-I195 HydrophobicContact CD1-CG1 3.8Å; Y176-I195 HydrophobicContact CD1-CG2 3.94Å; Y176-I195 HydrophobicContact CE1-CB 4.3Å; Y176-I195 HydrophobicContact CE1-CD1 3.89Å; Y176-I195 HydrophobicContact CE1-CG1 3.81Å; Y176-I195 HydrophobicContact CE1-CG2 3.64Å; Y176-F301 HydrophobicContact CD1-CD2 4.49Å; Y176-F301 HydrophobicContact CD1-CE2 4.24Å; Y176-F301 HydrophobicContact CE1-CE2 4.28Å; Y176-C303 HydrophobicContact CE1-CB 3.68Å; Y176-F304 PolarHBondContact OH-N 3.34Å; Y176-A311 HydrophobicContact CD2-CB 3.84Å; Y176-A311 HydrophobicContact CE2-CB 3.65Å; Y176-T312 PolarHBondContact N-O 3.49Å; Y176-F313 HydrophobicContact CD1-CE1 4.42Å; Y176-F313 AromaticContact CD2-CD1 3.76Å; Y176-F313 HydrophobicContact CD2-CD1 3.76Å; Y176-F313 AromaticContact CD2-CE1 3.22Å; Y176-F313 HydrophobicContact CD2-CE1 3.22Å; Y176-F313 HydrophobicContact CD2-CE2 4.41Å; Y176-F313 AromaticContact CD2-CZ 3.61Å; Y176-F313 HydrophobicContact CD2-CZ 3.61Å; Y176-F313 AromaticContact CE2-CE1 3.72Å; Y176-F313 HydrophobicContact CE2-CE1 3.72Å; Y176-F313 AromaticContact CE2-CZ 3.77Å; Y176-F313 HydrophobicContact CE2-CZ 3.77Å; Y176-F313 AromaticContact CG-CD1 3.91Å; Y176-F313 HydrophobicContact CG-CD1 3.91Å; Y176-F313 AromaticContact CG-CE1 3.64Å; Y176-F313 HydrophobicContact CG-CE1 3.64Å; Y176-F313 HydrophobicContact CG-CZ 4.45Å; Y176-L314 PolarHBondContact O-N 3.32Å
177	D	98.8	Very high	97.7	Very high	54 Å²	54	40.8 Å²	40.8	29%	0.289	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.2	160.4	-173.6	-25.5	0	0	0	107.1	A194 K316	D177-A194 HydrophobicContact CB-CB 4.35Å; D177-A194 PolarHBondContact N-O 2.92Å; D177-A194 PolarHBondContact O-N 3.26Å; D177-K316 IonicContact OD1-NZ 2.73Å; D177-K316 PolarHBondContact OD1-NZ 3.06Å; D177-K316 IonicContact OD2-NZ 3.8Å; D177-K316 PolarHBondContact OD2-NZ 3.34Å
178	L	98.9	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.4	-172.6	-56.6	-179.8	0	0	0	109.4	Y176 F180 K192 A193 F301 F313 L314 I315 K316	Y176-L178 HydrophobicContact CD1-CD2 4.27Å; L178-F180 HydrophobicContact CB-CD2 4.44Å; L178-F180 HydrophobicContact CB-CE2 3.64Å; L178-F180 HydrophobicContact CB-CZ 4.07Å; L178-F180 HydrophobicContact CD1-CE2 4.16Å; L178-F180 HydrophobicContact CD1-CZ 4.15Å; L178-F180 HydrophobicContact CG-CE2 4.48Å; L178-K192 WeakPolarHBondContact CA-O 3.45Å; L178-A193 HydrophobicContact CD2-CB 3.63Å; L178-F301 HydrophobicContact CD1-CD1 4.21Å; L178-F301 HydrophobicContact CD1-CD2 3.92Å; L178-F301 HydrophobicContact CD1-CE1 4.14Å; L178-F301 HydrophobicContact CD1-CE2 3.82Å; L178-F301 HydrophobicContact CD1-CG 4.13Å; L178-F301 HydrophobicContact CD1-CZ 3.95Å; L178-F301 HydrophobicContact CD2-CB 4.34Å; L178-F301 HydrophobicContact CD2-CD2 3.75Å; L178-F301 HydrophobicContact CD2-CE2 4.3Å; L178-F301 HydrophobicContact CD2-CG 4.13Å; L178-F313 HydrophobicContact CD1-CD1 4.05Å; L178-L314 PolarHBondContact N-O 2.97Å; L178-I315 CarbonylContact O-C 3.48Å; L178-K316 PolarHBondContact O-N 3.21Å
179	T	98.9	Very high	97.8	Very high	25 Å²	25	41.9 Å²	41.9	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.7	171.3	-53.6	0	0	0	0	109.3	G191 K192 K316	T179-G191 CarbonylContact O-C 3.58Å; T179-G191 WeakPolarHBondContact O-CA 3.33Å; T179-K192 PolarHBondContact N-O 3.02Å; T179-K192 PolarHBondContact O-N 2.94Å; T179-K316 CarbonylContact C-O 3.51Å; T179-K316 WeakPolarHBondContact CA-O 3.49Å; T179-K316 HydrophobicContact CG2-CB 4.16Å
180	F	98.8	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140	176.8	-56.4	-85.2	0	0	0	110.5	L178 F189 Y261 F301 K316 I317 N318 F360	L178-F180 HydrophobicContact CB-CD2 4.44Å; L178-F180 HydrophobicContact CB-CE2 3.64Å; L178-F180 HydrophobicContact CB-CZ 4.07Å; L178-F180 HydrophobicContact CD1-CE2 4.16Å; L178-F180 HydrophobicContact CD1-CZ 4.15Å; L178-F180 HydrophobicContact CG-CE2 4.48Å; F180-F189 HydrophobicContact CD1-CD2 4.18Å; F180-F189 HydrophobicContact CD1-CE2 4.18Å; F180-F189 HydrophobicContact CE1-CE2 4.49Å; F180-Y261 WeakPolarHBondContact CE1-OH 3.33Å; F180-F301 HydrophobicContact CE1-CB 4.12Å; F180-F301 HydrophobicContact CE1-CD1 4.4Å; F180-F301 HydrophobicContact CZ-CB 4.08Å; F180-F301 AromaticContact CZ-CD1 3.85Å; F180-F301 HydrophobicContact CZ-CD1 3.85Å; F180-F301 HydrophobicContact CZ-CG 4.2Å; F180-K316 PolarHBondContact N-O 2.92Å; F180-I317 HydrophobicContact CB-CD1 3.94Å; F180-I317 HydrophobicContact CD2-CD1 3.82Å; F180-I317 HydrophobicContact CG-CD1 4.32Å; F180-N318 PolarHBondContact O-N 3.02Å; F180-F360 HydrophobicContact CD1-CE2 4.46Å; F180-F360 HydrophobicContact CD1-CZ 4Å; F180-F360 HydrophobicContact CD2-CD1 4.45Å; F180-F360 AromaticContact CD2-CE1 3.88Å; F180-F360 HydrophobicContact CD2-CE1 3.88Å; F180-F360 HydrophobicContact CD2-CE2 4.17Å; F180-F360 AromaticContact CD2-CZ 3.72Å; F180-F360 HydrophobicContact CD2-CZ 3.72Å; F180-F360 HydrophobicContact CE1-CE1 4.38Å; F180-F360 AromaticContact CE1-CZ 3.82Å; F180-F360 HydrophobicContact CE1-CZ 3.82Å; F180-F360 HydrophobicContact CE2-CD1 4.16Å; F180-F360 AromaticContact CE2-CE1 3.38Å; F180-F360 HydrophobicContact CE2-CE1 3.38Å; F180-F360 HydrophobicContact CE2-CE2 4.41Å; F180-F360 AromaticContact CE2-CZ 3.52Å; F180-F360 HydrophobicContact CE2-CZ 3.52Å; F180-F360 HydrophobicContact CG-CE2 4.2Å; F180-F360 AromaticContact CG-CZ 3.95Å; F180-F360 HydrophobicContact CG-CZ 3.95Å; F180-F360 AromaticContact CZ-CE1 3.67Å; F180-F360 HydrophobicContact CZ-CE1 3.67Å; F180-F360 AromaticContact CZ-CZ 3.58Å; F180-F360 HydrophobicContact CZ-CZ 3.58Å
181	T	98.6	Very high	98	Very high	36 Å²	36	39.6 Å²	39.6	22%	0.221	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	84.1	174.4	-46.1	0	0	0	0	108.8	F189 T190 N318 L341	T181-F189 WeakPolarHBondContact O-CA 3.48Å; T181-T190 WeakPolarHBondContact CB-OG1 3.31Å; T181-T190 PolarHBondContact N-O 3.39Å; T181-T190 PolarHBondContact O-N 2.89Å; T181-T190 VanDerWaalsContact O-N 3.09Å; T181-N318 HydrophobicContact CG2-CB 3.8Å; T181-N318 PolarHBondContact OG1-ND2 3.21Å; T181-L341 HydrophobicContact CG2-CD1 3.75Å
182	P	98.2	Very high	98	Very high	15 Å²	15	43.5 Å²	43.5	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.2	174.3	27.5	-32.6	0	0	0	112.4	L184 F189 F272 V362	P182-L184 HydrophobicContact CB-CD2 4.3Å; P182-F189 HydrophobicContact CB-CB 4.35Å; P182-F272 HydrophobicContact CB-CE1 3.97Å; P182-F272 HydrophobicContact CB-CZ 3.84Å; P182-F272 HydrophobicContact CG-CE1 4.49Å; P182-F272 HydrophobicContact CG-CZ 4.12Å; P182-V362 HydrophobicContact CG-CB 4.48Å; P182-V362 HydrophobicContact CG-CG1 4.5Å; P182-V362 HydrophobicContact CG-CG2 4Å
183	D	97.4	Very high	98.1	Very high	48 Å²	48	38.6 Å²	38.6	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	101	167.3	-175.9	-23.2	0	0	0	108.2	D185 R186 M187 T188	D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 3.16Å; D183-D185 WeakPolarHBondContact OD1-CB 3.47Å; D183-D185 PolarHBondContact OD1-N 3.14Å; D183-R186 HydrophobicContact CB-CB 4.37Å; D183-R186 PolarHBondContact O-N 3.04Å; D183-R186 PolarHBondContact OD1-N 2.87Å; D183-R186 WeakPolarHBondContact OD2-CD 3.45Å; D183-R186 WeakPolarHBondContact OD2-CG 3.35Å; D183-M187 WeakPolarHBondContact O-CA 3.48Å; D183-M187 PolarHBondContact O-N 2.99Å; D183-T188 PolarHBondContact N-O 3.18Å; D183-T188 PolarHBondContact O-N 3.2Å; D183-T188 VanDerWaalsContact O-N 3.12Å
184	L	96.6	Very high	98.1	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.5	-179.7	-56.3	-175.3	0	0	0	113.5	P182 M187 L265 V286 A288 Y323 V362	P182-L184 HydrophobicContact CB-CD2 4.3Å; L184-M187 WeakPolarHBondContact O-CE 3.31Å; L184-L265 HydrophobicContact CD2-CD1 3.85Å; L184-V286 HydrophobicContact CB-CG2 4.07Å; L184-A288 HydrophobicContact CD2-CB 3.6Å; L184-Y323 HydrophobicContact CD1-CD1 3.96Å; L184-Y323 HydrophobicContact CD1-CD2 4.35Å; L184-Y323 HydrophobicContact CD1-CE1 3.63Å; L184-Y323 HydrophobicContact CD1-CE2 4.04Å; L184-Y323 HydrophobicContact CD1-CG 4.32Å; L184-V362 HydrophobicContact CD1-CG1 4.07Å
185	D	94.4	Very high	98.1	Very high	112 Å²	112	37 Å²	37	60%	0.599	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-38.8	171.1	-52.2	-5.3	0	0	0	109.4	D183 K320	D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 3.16Å; D183-D185 WeakPolarHBondContact OD1-CB 3.47Å; D183-D185 PolarHBondContact OD1-N 3.14Å; D185-K320 IonicContact OD1-NZ 3.68Å; D185-K320 PolarHBondContact OD1-NZ 3.29Å; D185-K320 IonicContact OD2-NZ 2.73Å; D185-K320 PolarHBondContact OD2-NZ 3.34Å
186	R	96.2	Very high	98.1	Very high	187 Å²	187	39.8 Å²	39.8	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.3	-177.8	-60.5	-177	67.7	-171.8	-2.1	114.4	D183 T188	D183-R186 HydrophobicContact CB-CB 4.37Å; D183-R186 PolarHBondContact O-N 3.04Å; D183-R186 PolarHBondContact OD1-N 2.87Å; D183-R186 WeakPolarHBondContact OD2-CD 3.45Å; D183-R186 WeakPolarHBondContact OD2-CG 3.35Å; R186-T188 VanDerWaalsContact C-N 3.33Å; R186-T188 HydrophobicContact CB-CG2 4.36Å; R186-T188 PolarHBondContact O-N 3.26Å
187	M	97.1	Very high	98.1	Very high	42 Å²	42	39.8 Å²	39.8	21%	0.207	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	44.3	-171.4	-56.7	-57.6	168.7	0	0	113.3	D183 L184 L265 N274 V286	D183-M187 WeakPolarHBondContact O-CA 3.48Å; D183-M187 PolarHBondContact O-N 2.99Å; L184-M187 WeakPolarHBondContact O-CE 3.31Å; M187-L265 PolarHBondContact O-N 2.66Å; M187-L265 HydrophobicContact SD-CD1 4.13Å; M187-N274 HydrophobicContact SD-CB 3.66Å; M187-V286 HydrophobicContact CE-CB 3.86Å; M187-V286 HydrophobicContact CE-CG1 3.67Å; M187-V286 HydrophobicContact CE-CG2 4.18Å
188	T	98.2	Very high	98	Very high	36 Å²	36	38.2 Å²	38.2	22%	0.221	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	168	178.6	63.1	0	0	0	0	111.1	D183 R186 A263 N264	D183-T188 PolarHBondContact N-O 3.18Å; D183-T188 PolarHBondContact O-N 3.2Å; D183-T188 VanDerWaalsContact O-N 3.12Å; R186-T188 VanDerWaalsContact C-N 3.33Å; R186-T188 HydrophobicContact CB-CG2 4.36Å; R186-T188 PolarHBondContact O-N 3.26Å; T188-A263 CarbonylContact C-O 3.57Å; T188-A263 WeakPolarHBondContact CA-O 3.37Å; T188-N264 WeakPolarHBondContact CG2-OD1 3.49Å
189	F	98.6	Very high	98	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.9	169	69.6	-77.7	0	0	0	112.1	F180 T181 P182 L213 Y261 N262 A263 L265 F272 A300	F180-F189 HydrophobicContact CD1-CD2 4.18Å; F180-F189 HydrophobicContact CD1-CE2 4.18Å; F180-F189 HydrophobicContact CE1-CE2 4.49Å; T181-F189 WeakPolarHBondContact O-CA 3.48Å; P182-F189 HydrophobicContact CB-CB 4.35Å; F189-L213 HydrophobicContact CZ-CD2 4.23Å; F189-Y261 AromaticContact CE2-CE2 3.96Å; F189-Y261 HydrophobicContact CE2-CE2 3.96Å; F189-N262 WeakPolarHBondContact O-CA 3.5Å; F189-A263 HydrophobicContact CD1-CB 4.24Å; F189-A263 HydrophobicContact CE1-CB 3.57Å; F189-A263 HydrophobicContact CZ-CB 3.74Å; F189-A263 PolarHBondContact N-O 3.05Å; F189-A263 PolarHBondContact O-N 3.2Å; F189-L265 HydrophobicContact CD1-CD2 3.89Å; F189-L265 HydrophobicContact CD1-CG 4.49Å; F189-L265 HydrophobicContact CE1-CD2 4.46Å; F189-F272 HydrophobicContact CB-CD1 4.36Å; F189-F272 HydrophobicContact CB-CE1 4.01Å; F189-F272 AromaticContact CD1-CD1 3.71Å; F189-F272 HydrophobicContact CD1-CD1 3.71Å; F189-F272 HydrophobicContact CD1-CE1 4.19Å; F189-F272 AromaticContact CD2-CD1 3.94Å; F189-F272 HydrophobicContact CD2-CD1 3.94Å; F189-F272 HydrophobicContact CD2-CE1 4.2Å; F189-F272 HydrophobicContact CE1-CB 4.42Å; F189-F272 AromaticContact CE1-CD1 3.85Å; F189-F272 HydrophobicContact CE1-CD1 3.85Å; F189-F272 HydrophobicContact CE2-CD1 4.06Å; F189-F272 AromaticContact CG-CD1 3.76Å; F189-F272 HydrophobicContact CG-CD1 3.76Å; F189-F272 AromaticContact CG-CE1 3.9Å; F189-F272 HydrophobicContact CG-CE1 3.9Å; F189-F272 HydrophobicContact CZ-CB 4.46Å; F189-F272 HydrophobicContact CZ-CD1 4.03Å; F189-A300 WeakPolarHBondContact CE2-O 3.38Å
190	T	98.8	Very high	97.9	Very high	75 Å²	75	40.3 Å²	40.3	46%	0.46	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.3	162.8	65.3	0	0	0	0	109.6	T181 Y261 N262	T181-T190 WeakPolarHBondContact CB-OG1 3.31Å; T181-T190 PolarHBondContact N-O 3.39Å; T181-T190 PolarHBondContact O-N 2.89Å; T181-T190 VanDerWaalsContact O-N 3.09Å; T190-Y261 WeakPolarHBondContact CA-O 3.33Å; T190-N262 HydrophobicContact CG2-CB 4.22Å
191	G	98.6	Very high	97.8	Very high	7 Å²	7	45.9 Å²	45.9	7%	0.072	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.1	-177	0	0	0	0	0	112.5	T179 E260 Y261	T179-G191 CarbonylContact O-C 3.58Å; T179-G191 WeakPolarHBondContact O-CA 3.33Å; G191-E260 WeakPolarHBondContact O-CA 3.41Å; G191-Y261 VanDerWaalsContact C-CE1 3.43Å; G191-Y261 PolarHBondContact N-O 3.4Å; G191-Y261 WeakPolarHBondContact O-CD1 3.45Å; G191-Y261 WeakPolarHBondContact O-CE1 3.11Å; G191-Y261 PolarHBondContact O-N 2.9Å
192	K	98.8	Very high	97.8	Very high	85 Å²	85	48.1 Å²	48.1	37%	0.37	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.9	169.2	-179.3	168.5	-175.3	150.4	0	109.1	L178 T179 T258 F259 E260	L178-K192 WeakPolarHBondContact CA-O 3.45Å; T179-K192 PolarHBondContact N-O 3.02Å; T179-K192 PolarHBondContact O-N 2.94Å; K192-T258 HydrophobicContact CG-CG2 4.35Å; K192-F259 CarbonylContact C-O 3.31Å; K192-F259 VanDerWaalsContact CA-O 3.27Å; K192-F259 WeakPolarHBondContact CA-O 3.47Å; K192-E260 HydrophobicContact CB-CG 4.42Å; K192-E260 HydrophobicContact CD-CG 4.1Å; K192-E260 WeakPolarHBondContact CE-OE1 3.38Å; K192-E260 HydrophobicContact CG-CG 4.05Å; K192-E260 IonicContact NZ-OE1 2.7Å; K192-E260 PolarHBondContact NZ-OE1 3.16Å
193	A	98.8	Very high	97.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.7	179.5	0	0	0	0	0	109.8	L178 T258 F259 Y261 F301	L178-A193 HydrophobicContact CD2-CB 3.63Å; A193-T258 CarbonylContact O-C 3.59Å; A193-T258 VanDerWaalsContact O-CA 3.32Å; A193-T258 WeakPolarHBondContact O-CA 3.28Å; A193-F259 PolarHBondContact N-O 2.92Å; A193-F259 PolarHBondContact O-N 3.35Å; A193-Y261 HydrophobicContact CB-CE1 4.1Å; A193-F301 HydrophobicContact CB-CB 4.47Å
194	A	98.7	Very high	97.7	Very high	23 Å²	23	49.1 Å²	49.1	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.9	171.5	0	0	0	0	0	109.7	Y176 D177 V256 T258	Y176-A194 WeakPolarHBondContact CA-O 3.47Å; D177-A194 HydrophobicContact CB-CB 4.35Å; D177-A194 PolarHBondContact N-O 2.92Å; D177-A194 PolarHBondContact O-N 3.26Å; A194-V256 HydrophobicContact CB-CG1 4.38Å; A194-T258 HydrophobicContact CB-CG2 4.11Å
195	I	98.8	Very high	97.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.3	-174.5	-41.7	176	0	0	0	108.6	P173 Y176 M197 L208 V256 L257 F259 P302 F304	P173-I195 HydrophobicContact CB-CG2 4.34Å; Y176-I195 HydrophobicContact CD1-CB 4.3Å; Y176-I195 HydrophobicContact CD1-CD1 4.35Å; Y176-I195 HydrophobicContact CD1-CG1 3.8Å; Y176-I195 HydrophobicContact CD1-CG2 3.94Å; Y176-I195 HydrophobicContact CE1-CB 4.3Å; Y176-I195 HydrophobicContact CE1-CD1 3.89Å; Y176-I195 HydrophobicContact CE1-CG1 3.81Å; Y176-I195 HydrophobicContact CE1-CG2 3.64Å; I195-M197 HydrophobicContact CB-CE 4.46Å; I195-M197 HydrophobicContact CG2-CG 3.84Å; I195-M197 HydrophobicContact CG2-SD 4.25Å; I195-M197 WeakPolarHBondContact O-CE 3.5Å; I195-L208 HydrophobicContact CD1-CD1 3.62Å; I195-V256 VanDerWaalsContact O-CA 3.3Å; I195-V256 WeakPolarHBondContact O-CA 3.39Å; I195-L257 PolarHBondContact N-O 3.29Å; I195-L257 PolarHBondContact O-N 2.95Å; I195-F259 HydrophobicContact CD1-CD2 4.37Å; I195-F259 HydrophobicContact CD1-CE2 3.99Å; I195-P302 WeakPolarHBondContact CD1-O 3.2Å; I195-F304 HydrophobicContact CG2-CE2 4.33Å
196	K	98.6	Very high	97.8	Very high	81 Å²	81	46.9 Å²	46.9	35%	0.352	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.5	170	-173.9	177.2	179.4	178.8	0	109.6	L174 S175 C255 V256	L174-K196 HydrophobicContact CD1-CG 4.47Å; L174-K196 PolarHBondContact N-O 3.44Å; S175-K196 PolarHBondContact N-O 3.25Å; S175-K196 PolarHBondContact O-N 3.48Å; K196-C255 WeakPolarHBondContact CA-O 3.28Å; K196-V256 HydrophobicContact CB-CG2 4.34Å; K196-V256 HydrophobicContact CG-CG2 4.28Å
197	M	98.2	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161	-172.7	-61	166.3	-78.6	0	0	112.1	I171 K172 I195 I206 Q254 C255 L257 F304	I171-M197 HydrophobicContact CG2-CB 3.8Å; I171-M197 HydrophobicContact CG2-CG 3.95Å; I171-M197 HydrophobicContact CG2-SD 3.63Å; K172-M197 CarbonylContact O-C 3.58Å; K172-M197 VanDerWaalsContact O-CA 3.28Å; K172-M197 WeakPolarHBondContact O-CA 3Å; I195-M197 HydrophobicContact CB-CE 4.46Å; I195-M197 HydrophobicContact CG2-CG 3.84Å; I195-M197 HydrophobicContact CG2-SD 4.25Å; I195-M197 WeakPolarHBondContact O-CE 3.5Å; M197-I206 HydrophobicContact CE-CD1 4.04Å; M197-I206 HydrophobicContact SD-CD1 4.44Å; M197-I206 HydrophobicContact SD-CG2 4.28Å; M197-Q254 WeakPolarHBondContact O-CA 3.41Å; M197-C255 PolarHBondContact N-O 3.1Å; M197-C255 PolarHBondContact O-N 3.36Å; M197-L257 HydrophobicContact CE-CB 3.46Å; M197-L257 VanDerWaalsContact CE-CB 3.46Å; M197-F304 HydrophobicContact CG-CE2 4.14Å; M197-F304 HydrophobicContact SD-CE2 3.49Å; M197-F304 WeakPolarHBondContact SD-CE2 3.25Å; M197-F304 HydrophobicContact SD-CZ 3.61Å
198	S	98	Very high	98	Very high	21 Å²	21	36.1 Å²	36.1	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.1	166.8	-170.4	0	0	0	0	110.4	K172	K172-S198 PolarHBondContact N-O 2.87Å; K172-S198 PolarHBondContact O-N 3.2Å
199	V	98	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.2	173.2	-175.9	0	0	0	0	109.1	I171 H201 T203 L249 K250 T251 N252 Q253	I171-V199 HydrophobicContact CD1-CB 4.44Å; I171-V199 HydrophobicContact CD1-CG1 4.44Å; I171-V199 HydrophobicContact CD1-CG2 4Å; V199-H201 VanDerWaalsContact CG1-O 3.24Å; V199-H201 WeakPolarHBondContact CG1-O 3.14Å; V199-T203 HydrophobicContact CG1-CG2 4.39Å; V199-L249 HydrophobicContact CG1-CB 4.35Å; V199-L249 HydrophobicContact CG2-CB 3.91Å; V199-L249 HydrophobicContact CG2-CD1 4.41Å; V199-K250 VanDerWaalsContact CB-O 3.32Å; V199-K250 WeakPolarHBondContact CB-O 3.04Å; V199-K250 WeakPolarHBondContact CG1-O 3.17Å; V199-T251 CarbonylContact O-C 3.57Å; V199-T251 WeakPolarHBondContact O-CA 3.22Å; V199-N252 PolarHBondContact O-N 2.82Å; V199-Q253 HydrophobicContact CG2-CB 4.32Å; V199-Q253 PolarHBondContact N-O 2.92Å
200	L	97.4	Very high	98	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.366	18%	0.179	S	C	.	.	S	Bend	trans	-86.7	-39.6	176.8	-58.9	-171.6	0	0	0	111.7	S170 K172 T251	S170-L200 PolarHBondContact O-N 3.49Å; K172-L200 HydrophobicContact CB-CD1 3.97Å; K172-L200 HydrophobicContact CB-CD2 4.17Å; K172-L200 HydrophobicContact CB-CG 4.03Å; L200-T251 WeakPolarHBondContact O-CG2 3.4Å; L200-T251 PolarHBondContact O-OG1 3Å
201	H	97	Very high	97.9	Very high	116 Å²	116	31.5 Å²	31.5	54%	0.537	16%	0.159	S	C	.	.	S	Bend	trans	-132.6	142.4	179.7	-56.9	-60	0	0	0	109.7	S170 V199 T203 T251	S170-H201 PolarHBondContact O-N 3.47Å; V199-H201 VanDerWaalsContact CG1-O 3.24Å; V199-H201 WeakPolarHBondContact CG1-O 3.14Å; H201-T203 PolarHBondContact O-N 3.16Å; H201-T251 WeakPolarHBondContact CA-OG1 3.26Å
202	N	97.5	Very high	97.7	Very high	84 Å²	84	37.5 Å²	37.5	45%	0.449	19%	0.189	S	C	.	.			trans	-50	130	178	-68.9	1.5	0	0	0	111.1	L249 K250 T251	N202-L249 VanDerWaalsContact CA-O 3.26Å; N202-L249 WeakPolarHBondContact CA-O 3.4Å; N202-K250 WeakPolarHBondContact OD1-CA 3.33Å; N202-T251 PolarHBondContact OD1-N 3.05Å
203	T	97.2	Very high	97.7	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	143.8	-177.3	-180	0	0	0	0	111.4	I171 V199 H201 R205 L249	I171-T203 HydrophobicContact CD1-CG2 3.82Å; I171-T203 HydrophobicContact CG1-CG2 4.37Å; V199-T203 HydrophobicContact CG1-CG2 4.39Å; H201-T203 PolarHBondContact O-N 3.16Å; T203-R205 WeakPolarHBondContact CG2-O 3.4Å; T203-R205 WeakPolarHBondContact OG1-CG 3.46Å; T203-R205 PolarHBondContact OG1-N 3.13Å; T203-R205 PolarHBondContact OG1-O 3Å; T203-L249 HydrophobicContact CG2-CB 4.42Å; T203-L249 PolarHBondContact N-O 2.84Å; T203-L249 WeakPolarHBondContact O-CB 3.45Å; T203-L249 PolarHBondContact O-N 3.19Å
204	N	95.9	Very high	97.7	Very high	75 Å²	75	38.4 Å²	38.4	40%	0.401	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	14.8	170.5	67.6	-12.8	0	0	0	112.6	F245 E248	N204-F245 PolarHBondContact O-N 3.06Å; N204-E248 HydrophobicContact CB-CG 4.44Å
205	R	96.3	Very high	97.6	Very high	72 Å²	72	39.2 Å²	39.2	27%	0.272	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.8	-176.7	62	-174.1	179.1	-78.6	5.4	113.4	P161 T203 V243	P161-R205 VanDerWaalsContact O-CD 3.25Å; P161-R205 WeakPolarHBondContact O-CD 3.47Å; P161-R205 PolarHBondContact O-NE 3.38Å; P161-R205 VanDerWaalsContact O-NE 3.09Å; T203-R205 WeakPolarHBondContact CG2-O 3.4Å; T203-R205 WeakPolarHBondContact OG1-CG 3.46Å; T203-R205 PolarHBondContact OG1-N 3.13Å; T203-R205 PolarHBondContact OG1-O 3Å; R205-V243 VanDerWaalsContact CA-O 3.27Å; R205-V243 WeakPolarHBondContact CA-O 3.49Å
206	I	98.2	Very high	97.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.8	165.2	-66	167.6	0	0	0	107	I171 M197 L208 F220 A242 V243 F245 L249 L257 F304	I171-I206 HydrophobicContact CD1-CG1 4.01Å; I171-I206 HydrophobicContact CG1-CG1 4.06Å; M197-I206 HydrophobicContact CE-CD1 4.04Å; M197-I206 HydrophobicContact SD-CD1 4.44Å; M197-I206 HydrophobicContact SD-CG2 4.28Å; I206-L208 HydrophobicContact CG2-CD2 4.21Å; I206-F220 HydrophobicContact CD1-CD2 4.4Å; I206-F220 HydrophobicContact CD1-CE2 3.82Å; I206-A242 CarbonylContact O-C 3.48Å; I206-A242 VanDerWaalsContact O-CA 3.26Å; I206-A242 WeakPolarHBondContact O-CA 3.3Å; I206-V243 PolarHBondContact N-O 3.4Å; I206-V243 PolarHBondContact O-N 2.98Å; I206-F245 HydrophobicContact CB-CE2 4.23Å; I206-F245 HydrophobicContact CD1-CE2 3.77Å; I206-F245 HydrophobicContact CD1-CZ 3.88Å; I206-F245 HydrophobicContact CG1-CE2 3.8Å; I206-F245 HydrophobicContact CG1-CZ 4.39Å; I206-L249 HydrophobicContact CD1-CD1 3.98Å; I206-L249 HydrophobicContact CG1-CD1 4.16Å; I206-L257 HydrophobicContact CG2-CD2 4.16Å; I206-F304 HydrophobicContact CG2-CZ 4.01Å
207	V	98.4	Very high	97.6	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.8	178.6	-172.1	0	0	0	0	107.6	F160 W162 L167 P168 Q240 I241 A242 F304	F160-V207 HydrophobicContact CE1-CG1 4.18Å; F160-V207 HydrophobicContact CZ-CG1 4.13Å; W162-V207 HydrophobicContact CB-CG1 4.26Å; W162-V207 HydrophobicContact CB-CG2 4.07Å; W162-V207 HydrophobicContact CG-CG1 4.37Å; W162-V207 HydrophobicContact CG-CG2 4.43Å; L167-V207 HydrophobicContact CD2-CG1 4.21Å; P168-V207 HydrophobicContact CG-CB 3.92Å; P168-V207 HydrophobicContact CG-CG2 3.99Å; V207-Q240 HydrophobicContact CG1-CB 4.37Å; V207-I241 WeakPolarHBondContact CA-O 3.25Å; V207-A242 HydrophobicContact CG2-CB 4.01Å; V207-F304 WeakPolarHBondContact O-CE1 3.25Å
208	L	98.6	Very high	97.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	170	-176.6	67.6	160.5	0	0	0	110.1	I195 I206 Q240 I241 L257 F259 P302 F304	I195-L208 HydrophobicContact CD1-CD1 3.62Å; I206-L208 HydrophobicContact CG2-CD2 4.21Å; L208-Q240 CarbonylContact O-C 3.55Å; L208-Q240 VanDerWaalsContact O-CA 3.31Å; L208-Q240 WeakPolarHBondContact O-CA 3.38Å; L208-I241 HydrophobicContact CD1-CD1 4.43Å; L208-I241 HydrophobicContact CD2-CD1 4.06Å; L208-I241 HydrophobicContact CD2-CG1 3.77Å; L208-I241 HydrophobicContact CG-CD1 4.12Å; L208-I241 HydrophobicContact CG-CG1 3.8Å; L208-I241 PolarHBondContact N-O 3.31Å; L208-I241 PolarHBondContact O-N 3.25Å; L208-L257 HydrophobicContact CD2-CD2 4.32Å; L208-F259 HydrophobicContact CD1-CE2 3.83Å; L208-F259 HydrophobicContact CD1-CZ 4.13Å; L208-F259 HydrophobicContact CD2-CZ 4.14Å; L208-P302 HydrophobicContact CD1-CB 3.98Å; L208-F304 HydrophobicContact CB-CD2 4.4Å; L208-F304 HydrophobicContact CB-CE1 4.41Å; L208-F304 HydrophobicContact CB-CE2 4.3Å; L208-F304 HydrophobicContact CB-CZ 4.3Å
209	H	98.8	Very high	97.6	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.3	179.8	-63.2	122.5	0	0	0	112.6	Q239 R298 P302 C303 D305	H209-Q239 CarbonylContact C-O 3.12Å; H209-Q239 VanDerWaalsContact CA-O 3.25Å; H209-Q239 WeakPolarHBondContact CA-O 3.39Å; H209-Q239 PolarHBondContact CD2-O 2.97Å; H209-R298 HydrophobicContact CB-CB 3.68Å; H209-R298 PolarHBondContact CD2-NH1 2.87Å; H209-R298 PolarHBondContact CE1-NH2 3.06Å; H209-R298 VanDerWaalsContact CE1-NH2 3.31Å; H209-R298 VanDerWaalsContact CG-CZ 3.45Å; H209-R298 PolarHBondContact ND1-NH2 3.01Å; H209-P302 WeakPolarHBondContact O-CA 3.12Å; H209-C303 WeakPolarHBondContact CA-O 3.37Å; H209-C303 WeakPolarHBondContact CB-O 3.43Å; H209-C303 PolarHBondContact N-O 2.79Å; H209-C303 PolarHBondContact O-N 3.04Å; H209-D305 HydrophobicContact CB-CB 3.79Å; H209-D305 WeakPolarHBondContact ND1-CB 3.42Å; H209-D305 PolarHBondContact ND1-N 2.92Å; H209-D305 PolarHBondContact ND1-O 3.16Å
210	A	98.3	Very high	97.6	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	23%	0.233	C	C	.	.			trans	-158.7	138.7	165.6	0	0	0	0	0	108.8	L213 Q239 I241 P302	A210-L213 HydrophobicContact CB-CD1 4.36Å; A210-Q239 PolarHBondContact N-O 3.4Å; A210-Q239 CarbonylContact O-C 3.59Å; A210-Q239 VanDerWaalsContact O-O 3.07Å; A210-I241 HydrophobicContact CB-CD1 4Å; A210-I241 HydrophobicContact CB-CG1 3.99Å; A210-I241 HydrophobicContact CB-CG2 3.98Å; A210-P302 HydrophobicContact CB-CB 4.22Å; A210-P302 HydrophobicContact CB-CG 4.43Å
211	A	96.5	Very high	97.5	Very high	5 Å²	5	45.3 Å²	45.3	4%	0.041	23%	0.23	C	C	.	.			trans	-140.4	133.1	178.5	0	0	0	0	0	110.6	L213 Q239 R298 K299	A211-L213 PolarHBondContact O-N 3.03Å; A211-Q239 HydrophobicContact CB-CB 4.07Å; A211-Q239 HydrophobicContact CB-CG 3.94Å; A211-R298 HydrophobicContact CB-CG 4.09Å; A211-R298 PolarHBondContact N-O 3.21Å; A211-K299 HydrophobicContact CB-CG 4.09Å; A211-K299 WeakPolarHBondContact O-CA 3.38Å
212	N	94.9	Very high	97.4	Very high	134 Å²	134	42.4 Å²	42.4	72%	0.717	22%	0.219	S	C	*	.	S	Bend	trans	57.4	26.4	179.2	-55	-17.4	0	0	0	114.5	A263	N212-A263 WeakPolarHBondContact O-CB 3.13Å
213	L	97.8	Very high	97	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	22%	0.216	C	C	.	.			trans	-109.1	118.4	178.2	-59.6	-175.9	0	0	0	110.7	F189 A210 A211 I215 Y261 A263 K299 P302	F189-L213 HydrophobicContact CZ-CD2 4.23Å; A210-L213 HydrophobicContact CB-CD1 4.36Å; A211-L213 PolarHBondContact O-N 3.03Å; L213-I215 HydrophobicContact CB-CD1 4.07Å; L213-I215 PolarHBondContact O-N 2.79Å; L213-I215 VanDerWaalsContact O-N 3.15Å; L213-Y261 HydrophobicContact CB-CD2 4.35Å; L213-Y261 HydrophobicContact CD1-CD2 4.27Å; L213-Y261 HydrophobicContact CD1-CE2 4.2Å; L213-Y261 HydrophobicContact CD2-CD2 4.02Å; L213-Y261 HydrophobicContact CD2-CE2 4.09Å; L213-Y261 HydrophobicContact CG-CD2 4.45Å; L213-A263 HydrophobicContact CD2-CB 3.71Å; L213-K299 WeakPolarHBondContact CD2-O 3.38Å; L213-P302 HydrophobicContact CD1-CG 3.9Å
214	N	97.9	Very high	96.3	Very high	94 Å²	94	49 Å²	49	50%	0.503	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	94.1	175.2	178.3	19	0	0	0	110	T216 Y261 N262	N214-T216 PolarHBondContact O-N 2.64Å; N214-Y261 WeakPolarHBondContact O-CA 3.33Å; N214-Y261 VanDerWaalsContact O-CB 3.27Å; N214-Y261 WeakPolarHBondContact O-CB 3.46Å; N214-N262 WeakPolarHBondContact CB-O 3.48Å; N214-N262 WeakPolarHBondContact CB-OD1 3.33Å; N214-N262 PolarHBondContact N-O 3.37Å; N214-N262 PolarHBondContact ND2-ND2 3.23Å; N214-N262 VanDerWaalsContact ND2-ND2 3.16Å; N214-N262 PolarHBondContact ND2-OD1 3.09Å; N214-N262 PolarHBondContact O-N 3.44Å
215	I	98	Very high	95.9	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.205	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	107.8	179.9	-50.3	-55.5	0	0	0	110.1	L213 V232 F259 Y261 P302	L213-I215 HydrophobicContact CB-CD1 4.07Å; L213-I215 PolarHBondContact O-N 2.79Å; L213-I215 VanDerWaalsContact O-N 3.15Å; I215-V232 HydrophobicContact CG2-CG2 4.37Å; I215-F259 HydrophobicContact CG2-CD1 3.94Å; I215-Y261 HydrophobicContact CD1-CD1 4.49Å; I215-Y261 HydrophobicContact CD1-CG 4.26Å; I215-P302 HydrophobicContact CD1-CG 3.81Å
216	T	97.7	Very high	95.5	Very high	90 Å²	90	52.7 Å²	52.7	55%	0.552	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-29.4	-179.1	59.7	0	0	0	0	112.8	N214 E260 N262	N214-T216 PolarHBondContact O-N 2.64Å; T216-E260 PolarHBondContact N-O 3.43Å; T216-E260 PolarHBondContact OG1-O 2.83Å; T216-N262 WeakPolarHBondContact CG2-ND2 3.27Å
217	K	98.1	Very high	95.3	Very high	93 Å²	93	55.7 Å²	55.7	40%	0.404	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.8	176.5	-169.7	169.8	-175.1	167.5	0	111.5	T219 D229 F259 E260	K217-T219 HydrophobicContact CD-CG2 4.37Å; K217-T219 HydrophobicContact CG-CG2 4.25Å; K217-D229 WeakPolarHBondContact CE-OD1 3.36Å; K217-D229 IonicContact NZ-OD1 2.7Å; K217-D229 PolarHBondContact NZ-OD1 2.99Å; K217-D229 IonicContact NZ-OD2 3.3Å; K217-F259 CarbonylContact O-C 3.56Å; K217-F259 WeakPolarHBondContact O-CA 3.42Å; K217-E260 HydrophobicContact CB-CB 4.23Å; K217-E260 PolarHBondContact N-O 2.95Å; K217-E260 VanDerWaalsContact N-O 3.13Å; K217-E260 PolarHBondContact O-N 3.35Å
218	A	98.4	Very high	95.1	Very high	7 Å²	7	58.8 Å²	58.8	6%	0.058	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.2	169.3	0	0	0	0	0	110.6	D229 V230 V232 T258 F259	A218-D229 WeakPolarHBondContact O-CA 3.37Å; A218-V230 HydrophobicContact CB-CG2 3.9Å; A218-V230 PolarHBondContact O-N 3.27Å; A218-V232 HydrophobicContact CB-CG2 3.42Å; A218-V232 VanDerWaalsContact CB-CG2 3.42Å; A218-T258 CarbonylContact C-O 3.53Å; A218-T258 VanDerWaalsContact CA-O 3.26Å; A218-T258 WeakPolarHBondContact CA-O 3.3Å; A218-F259 HydrophobicContact CB-CD1 3.85Å; A218-F259 HydrophobicContact CB-CE1 4Å
219	T	98.2	Very high	95	Very high	24 Å²	24	64.3 Å²	64.3	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143	176.4	72.1	0	0	0	0	112.1	K217 S228 D229 L257 T258	K217-T219 HydrophobicContact CD-CG2 4.37Å; K217-T219 HydrophobicContact CG-CG2 4.25Å; T219-S228 CarbonylContact C-O 3.57Å; T219-S228 WeakPolarHBondContact CA-O 3.5Å; T219-S228 WeakPolarHBondContact CB-O 3.44Å; T219-D229 VanDerWaalsContact CG2-OD1 3.27Å; T219-D229 WeakPolarHBondContact CG2-OD1 3.41Å; T219-L257 WeakPolarHBondContact O-CA 3.45Å; T219-T258 PolarHBondContact N-O 2.86Å; T219-T258 PolarHBondContact O-N 2.93Å
220	F	97.9	Very high	94.9	Very high	15 Å²	15	65.5 Å²	65.5	7%	0.066	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.1	179.5	179.4	-103.5	0	0	0	111.1	I206 L222 A227 S228 V230 F245 L249 C255 V256 L257	I206-F220 HydrophobicContact CD1-CD2 4.4Å; I206-F220 HydrophobicContact CD1-CE2 3.82Å; F220-L222 HydrophobicContact CE1-CB 3.92Å; F220-L222 HydrophobicContact CZ-CB 4.33Å; F220-L222 HydrophobicContact CZ-CD1 4.27Å; F220-A227 CarbonylContact O-C 3.59Å; F220-A227 VanDerWaalsContact O-CA 3.32Å; F220-A227 WeakPolarHBondContact O-CA 3.32Å; F220-S228 PolarHBondContact N-O 3.41Å; F220-S228 PolarHBondContact O-N 2.87Å; F220-V230 HydrophobicContact CB-CG1 3.53Å; F220-V230 HydrophobicContact CB-CG2 4.2Å; F220-F245 HydrophobicContact CB-CE1 4.14Å; F220-F245 HydrophobicContact CD1-CD1 4.19Å; F220-F245 AromaticContact CD1-CE1 3.51Å; F220-F245 HydrophobicContact CD1-CE1 3.51Å; F220-F245 HydrophobicContact CD1-CZ 4.28Å; F220-F245 AromaticContact CD2-CE1 3.68Å; F220-F245 HydrophobicContact CD2-CE1 3.68Å; F220-F245 AromaticContact CD2-CZ 3.61Å; F220-F245 HydrophobicContact CD2-CZ 3.61Å; F220-F245 HydrophobicContact CE1-CD1 4.12Å; F220-F245 AromaticContact CE1-CE1 3.66Å; F220-F245 HydrophobicContact CE1-CE1 3.66Å; F220-F245 HydrophobicContact CE1-CZ 4.29Å; F220-F245 AromaticContact CE2-CE1 3.83Å; F220-F245 HydrophobicContact CE2-CE1 3.83Å; F220-F245 HydrophobicContact CE2-CE2 4.48Å; F220-F245 AromaticContact CE2-CZ 3.62Å; F220-F245 HydrophobicContact CE2-CZ 3.62Å; F220-F245 AromaticContact CG-CE1 3.5Å; F220-F245 HydrophobicContact CG-CE1 3.5Å; F220-F245 AromaticContact CG-CZ 3.94Å; F220-F245 HydrophobicContact CG-CZ 3.94Å; F220-F245 HydrophobicContact CZ-CD1 4.45Å; F220-F245 AromaticContact CZ-CE1 3.82Å; F220-F245 HydrophobicContact CZ-CE1 3.82Å; F220-F245 AromaticContact CZ-CZ 3.97Å; F220-F245 HydrophobicContact CZ-CZ 3.97Å; F220-L249 HydrophobicContact CE1-CD2 4.1Å; F220-L249 HydrophobicContact CE2-CD1 4.38Å; F220-L249 HydrophobicContact CZ-CD1 4.03Å; F220-L249 HydrophobicContact CZ-CD2 3.68Å; F220-C255 HydrophobicContact CD2-CB 4.45Å; F220-C255 HydrophobicContact CE2-CB 3.46Å; F220-C255 VanDerWaalsContact CE2-CB 3.46Å; F220-C255 HydrophobicContact CZ-CB 3.65Å; F220-V256 WeakPolarHBondContact CA-O 3.47Å; F220-L257 HydrophobicContact CB-CD1 4.2Å; F220-L257 HydrophobicContact CD2-CD1 4.27Å
221	K	96.4	Very high	94.7	Very high	71 Å²	71	71 Å²	71	31%	0.309	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.5	172.1	171	170.9	169.6	148.6	0	109.6	D223 G225 A227 C255 V256	K221-D223 WeakPolarHBondContact CE-O 3.48Å; K221-G225 VanDerWaalsContact CD-O 3.29Å; K221-G225 WeakPolarHBondContact CD-O 3.43Å; K221-G225 WeakPolarHBondContact CE-O 3.25Å; K221-G225 PolarHBondContact NZ-O 3.43Å; K221-A227 HydrophobicContact CB-CB 4.22Å; K221-C255 CarbonylContact O-C 3.52Å; K221-C255 VanDerWaalsContact O-CA 3.23Å; K221-C255 WeakPolarHBondContact O-CA 3.31Å; K221-C255 WeakPolarHBondContact O-CB 3.47Å; K221-V256 HydrophobicContact CB-CB 4.5Å; K221-V256 PolarHBondContact N-O 3.43Å; K221-V256 PolarHBondContact O-N 3.02Å
222	L	94.9	Very high	94.7	Very high	55 Å²	55	72.4 Å²	72.4	29%	0.288	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.1	172	-170.1	60.2	0	0	0	109.8	F220 N224 G225 L249 Q253 C255	F220-L222 HydrophobicContact CE1-CB 3.92Å; F220-L222 HydrophobicContact CZ-CB 4.33Å; F220-L222 HydrophobicContact CZ-CD1 4.27Å; L222-N224 PolarHBondContact O-N 3.32Å; L222-G225 WeakPolarHBondContact O-CA 3.32Å; L222-G225 PolarHBondContact O-N 3.41Å; L222-L249 HydrophobicContact CD1-CD2 4.18Å; L222-L249 HydrophobicContact CD2-CD2 4.41Å; L222-Q253 HydrophobicContact CD1-CB 3.98Å; L222-C255 HydrophobicContact CD1-CB 4.2Å
223	D	89.1	Confident	94.8	Very high	72 Å²	72	66.2 Å²	66.2	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.8	-120.1	-178.8	-59.9	-52.1	0	0	0	112.4	K221 Q253 Q254	K221-D223 WeakPolarHBondContact CE-O 3.48Å; D223-Q253 PolarHBondContact OD2-NE2 3.3Å; D223-Q253 VanDerWaalsContact OD2-NE2 3.16Å; D223-Q254 WeakPolarHBondContact CA-O 3.23Å; D223-Q254 PolarHBondContact N-O 3.39Å; D223-Q254 PolarHBondContact OD1-N 2.91Å
224	N	82.2	Confident	94.7	Very high	160 Å²	160	68.6 Å²	68.6	86%	0.856	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	9.1	178.1	-72.7	-29.4	0	0	0	114.1	L222	L222-N224 PolarHBondContact O-N 3.32Å
225	G	86.8	Confident	94.6	Very high	38 Å²	38	64.4 Å²	64.4	39%	0.392	35%	0.352	S	S	.	.	S	Bend	trans	-64.3	178.2	-179.5	0	0	0	0	0	114.8	K221 L222	K221-G225 VanDerWaalsContact CD-O 3.29Å; K221-G225 WeakPolarHBondContact CD-O 3.43Å; K221-G225 WeakPolarHBondContact CE-O 3.25Å; K221-G225 PolarHBondContact NZ-O 3.43Å; L222-G225 WeakPolarHBondContact O-CA 3.32Å; L222-G225 PolarHBondContact O-N 3.41Å
226	Q	88.6	Confident	94.2	Very high	186 Å²	186	67.5 Å²	67.5	87%	0.869	37%	0.368	S	S	*	.			trans	-75.8	151.3	168.9	-67.8	-173.8	-7.8	0	0	110.3
227	A	93	Very high	93.8	Very high	63 Å²	63	71.8 Å²	71.8	52%	0.521	38%	0.381	S	S	.	.			trans	-80.5	137	171.7	0	0	0	0	0	109.9	F220 K221	F220-A227 CarbonylContact O-C 3.59Å; F220-A227 VanDerWaalsContact O-CA 3.32Å; F220-A227 WeakPolarHBondContact O-CA 3.32Å; K221-A227 HydrophobicContact CB-CB 4.22Å
228	S	94.8	Very high	93.5	Very high	67 Å²	67	68.8 Å²	68.8	47%	0.469	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.7	176	53.8	0	0	0	0	110.9	T219 F220	T219-S228 CarbonylContact C-O 3.57Å; T219-S228 WeakPolarHBondContact CA-O 3.5Å; T219-S228 WeakPolarHBondContact CB-O 3.44Å; F220-S228 PolarHBondContact N-O 3.41Å; F220-S228 PolarHBondContact O-N 2.87Å
229	D	96.5	Very high	93.3	Very high	117 Å²	117	71.2 Å²	71.2	63%	0.626	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	140	174.3	-67	-20.2	0	0	0	109.9	K217 A218 T219	K217-D229 WeakPolarHBondContact CE-OD1 3.36Å; K217-D229 IonicContact NZ-OD1 2.7Å; K217-D229 PolarHBondContact NZ-OD1 2.99Å; K217-D229 IonicContact NZ-OD2 3.3Å; A218-D229 WeakPolarHBondContact O-CA 3.37Å; T219-D229 VanDerWaalsContact CG2-OD1 3.27Å; T219-D229 WeakPolarHBondContact CG2-OD1 3.41Å
230	V	96.5	Very high	93.3	Very high	32 Å²	32	70.1 Å²	70.1	19%	0.194	37%	0.372	C	S	.	.			trans	-129	145.3	-178.7	-69.4	0	0	0	0	112.3	A218 F220 V243 F245 L257	A218-V230 HydrophobicContact CB-CG2 3.9Å; A218-V230 PolarHBondContact O-N 3.27Å; F220-V230 HydrophobicContact CB-CG1 3.53Å; F220-V230 HydrophobicContact CB-CG2 4.2Å; V230-V243 HydrophobicContact CB-CG1 3.78Å; V230-V243 HydrophobicContact CG1-CG1 4.2Å; V230-V243 HydrophobicContact CG2-CG1 3.93Å; V230-V243 HydrophobicContact CG2-CG2 4.2Å; V230-F245 HydrophobicContact CG1-CE1 4.46Å; V230-L257 HydrophobicContact CG2-CD1 3.95Å
231	K	95.1	Very high	93.3	Very high	118 Å²	118	69.5 Å²	69.5	51%	0.513	37%	0.37	S	S	.	.			trans	-77.1	126.9	174.9	-174	175.1	-178.4	177.1	0	110.3	N156 E158 L233	N156-K231 WeakPolarHBondContact ND2-CE 3.44Å; E158-K231 IonicContact OE1-NZ 3.09Å; E158-K231 PolarHBondContact OE1-NZ 3.34Å; E158-K231 IonicContact OE2-NZ 2.72Å; K231-L233 HydrophobicContact CD-CD2 4.44Å
232	V	96.8	Very high	93.4	Very high	35 Å²	35	66.1 Å²	66.1	21%	0.212	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.1	170.5	-175.4	0	0	0	0	109.3	I215 A218 I241 V243 F259	I215-V232 HydrophobicContact CG2-CG2 4.37Å; A218-V232 HydrophobicContact CB-CG2 3.42Å; A218-V232 VanDerWaalsContact CB-CG2 3.42Å; V232-I241 HydrophobicContact CG1-CB 3.8Å; V232-I241 HydrophobicContact CG1-CD1 4.26Å; V232-I241 HydrophobicContact CG1-CG2 4.04Å; V232-V243 HydrophobicContact CG2-CG2 4.35Å; V232-F259 HydrophobicContact CG2-CE1 4.07Å
233	L	96.5	Very high	93.5	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.5	166.4	-56	178.7	0	0	0	108	N156 E158 F160 K231 I241 A242 K244	N156-L233 VanDerWaalsContact ND2-CD2 3.29Å; N156-L233 WeakPolarHBondContact ND2-CD2 3.18Å; E158-L233 HydrophobicContact CB-CD2 4.31Å; E158-L233 WeakPolarHBondContact OE2-CD2 3.48Å; F160-L233 HydrophobicContact CD2-CB 4.06Å; F160-L233 HydrophobicContact CE2-CB 4.37Å; K231-L233 HydrophobicContact CD-CD2 4.44Å; L233-I241 CarbonylContact O-C 3.54Å; L233-I241 WeakPolarHBondContact O-CA 3.39Å; L233-A242 PolarHBondContact N-O 3.39Å; L233-A242 PolarHBondContact O-N 2.84Å; L233-K244 HydrophobicContact CD1-CD 3.82Å; L233-K244 HydrophobicContact CD1-CG 4.3Å; L233-K244 VanDerWaalsContact CD1-NZ 3.3Å
234	E	96	Very high	93.8	Very high	60 Å²	60	64.5 Å²	64.5	28%	0.28	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.9	-176.7	178.4	-174.8	-147.8	0	0	110.8	S154 T155 I236 I241	S154-E234 CarbonylContact C-O 3.41Å; S154-E234 WeakPolarHBondContact CA-O 3.36Å; S154-E234 WeakPolarHBondContact CB-O 3.27Å; T155-E234 HydrophobicContact CG2-CB 4.27Å; T155-E234 HydrophobicContact CG2-CG 4.2Å; T155-E234 PolarHBondContact N-O 3.03Å; T155-E234 PolarHBondContact OG1-OE2 3.13Å; E234-I236 HydrophobicContact CG-CG1 4.21Å; E234-I241 HydrophobicContact CB-CG2 4.11Å; E234-I241 HydrophobicContact CG-CG2 4.14Å
235	N	94.8	Very high	94.4	Very high	5 Å²	5	58 Å²	58	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	97.7	169.6	-177.7	-9.5	0	0	0	109.2	P152 F160 H237 Q238 Q239 Q240	P152-N235 VanDerWaalsContact CG-ND2 3.33Å; P152-N235 WeakPolarHBondContact CG-ND2 3.28Å; F160-N235 HydrophobicContact CD1-CB 4.02Å; F160-N235 HydrophobicContact CD2-CB 3.85Å; F160-N235 HydrophobicContact CE1-CB 4.11Å; F160-N235 HydrophobicContact CE2-CB 3.93Å; F160-N235 HydrophobicContact CG-CB 3.91Å; F160-N235 HydrophobicContact CZ-CB 4.07Å; N235-H237 VanDerWaalsContact C-N 3.3Å; N235-H237 PolarHBondContact O-N 3.35Å; N235-H237 PolarHBondContact OD1-N 2.88Å; N235-Q238 HydrophobicContact CB-CB 4.48Å; N235-Q238 VanDerWaalsContact ND2-CD 3.32Å; N235-Q238 WeakPolarHBondContact ND2-CG 2.91Å; N235-Q238 PolarHBondContact ND2-OE1 3.39Å; N235-Q238 PolarHBondContact O-N 3.48Å; N235-Q238 PolarHBondContact OD1-N 2.97Å; N235-Q239 PolarHBondContact O-N 2.8Å; N235-Q240 PolarHBondContact N-O 2.91Å; N235-Q240 PolarHBondContact O-N 3.34Å; N235-Q240 VanDerWaalsContact O-N 3.15Å
236	I	90.6	Very high	94.5	Very high	105 Å²	105	62.7 Å²	62.7	54%	0.538	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-59.1	-40.2	-178.6	-62.4	172.5	0	0	0	111.4	T155 E234 Q238 Q239	T155-I236 HydrophobicContact CG2-CD1 3.51Å; T155-I236 HydrophobicContact CG2-CG1 3.67Å; E234-I236 HydrophobicContact CG-CG1 4.21Å; I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.48Å; I236-Q239 PolarHBondContact O-N 2.88Å; I236-Q239 VanDerWaalsContact O-N 3.15Å
237	H	87.9	Confident	94.6	Very high	180 Å²	180	61.5 Å²	61.5	83%	0.833	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-66.5	-32	-177.1	-65.8	-65.4	0	0	0	113.3	N235	N235-H237 VanDerWaalsContact C-N 3.3Å; N235-H237 PolarHBondContact O-N 3.35Å; N235-H237 PolarHBondContact OD1-N 2.88Å
238	Q	91.8	Very high	94.7	Very high	30 Å²	30	63 Å²	63	14%	0.14	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-95.2	-5.2	175.8	-63.2	-172.9	-45.2	0	0	112.6	A163 L165 N235 I236 Q240	A163-Q238 PolarHBondContact O-NE2 2.85Å; L165-Q238 HydrophobicContact CD2-CB 4.29Å; L165-Q238 HydrophobicContact CD2-CG 3.96Å; N235-Q238 HydrophobicContact CB-CB 4.48Å; N235-Q238 VanDerWaalsContact ND2-CD 3.32Å; N235-Q238 WeakPolarHBondContact ND2-CG 2.91Å; N235-Q238 PolarHBondContact ND2-OE1 3.39Å; N235-Q238 PolarHBondContact O-N 3.48Å; N235-Q238 PolarHBondContact OD1-N 2.97Å; I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.48Å; Q238-Q240 HydrophobicContact CB-CB 4.29Å; Q238-Q240 HydrophobicContact CB-CG 4.11Å; Q238-Q240 PolarHBondContact O-N 3.09Å
239	Q	95.8	Very high	94.8	Very high	59 Å²	59	60.1 Å²	60.1	28%	0.276	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	39.6	-171.8	-61.1	175.2	-3.6	0	0	112.2	H209 A210 A211 N235 I236	H209-Q239 CarbonylContact C-O 3.12Å; H209-Q239 VanDerWaalsContact CA-O 3.25Å; H209-Q239 WeakPolarHBondContact CA-O 3.39Å; H209-Q239 PolarHBondContact CD2-O 2.97Å; A210-Q239 PolarHBondContact N-O 3.4Å; A210-Q239 CarbonylContact O-C 3.59Å; A210-Q239 VanDerWaalsContact O-O 3.07Å; A211-Q239 HydrophobicContact CB-CB 4.07Å; A211-Q239 HydrophobicContact CB-CG 3.94Å; N235-Q239 PolarHBondContact O-N 2.8Å; I236-Q239 PolarHBondContact O-N 2.88Å; I236-Q239 VanDerWaalsContact O-N 3.15Å
240	Q	97.9	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.5	-176.9	-72.5	175.9	11.9	0	0	111.1	F160 E164 L165 L167 V207 L208 N235 Q238	F160-Q240 HydrophobicContact CE1-CB 3.98Å; F160-Q240 HydrophobicContact CZ-CB 3.65Å; E164-Q240 PolarHBondContact O-NE2 3.39Å; L165-Q240 PolarHBondContact O-NE2 2.05Å; L167-Q240 HydrophobicContact CD2-CG 4.2Å; V207-Q240 HydrophobicContact CG1-CB 4.37Å; L208-Q240 CarbonylContact O-C 3.55Å; L208-Q240 VanDerWaalsContact O-CA 3.31Å; L208-Q240 WeakPolarHBondContact O-CA 3.38Å; N235-Q240 PolarHBondContact N-O 2.91Å; N235-Q240 PolarHBondContact O-N 3.34Å; N235-Q240 VanDerWaalsContact O-N 3.15Å; Q238-Q240 HydrophobicContact CB-CB 4.29Å; Q238-Q240 HydrophobicContact CB-CG 4.11Å; Q238-Q240 PolarHBondContact O-N 3.09Å
241	I	98.2	Very high	94.8	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154	167.1	57.8	166.2	0	0	0	110.2	V207 L208 A210 V232 L233 E234 F259 P302	V207-I241 WeakPolarHBondContact CA-O 3.25Å; L208-I241 HydrophobicContact CD1-CD1 4.43Å; L208-I241 HydrophobicContact CD2-CD1 4.06Å; L208-I241 HydrophobicContact CD2-CG1 3.77Å; L208-I241 HydrophobicContact CG-CD1 4.12Å; L208-I241 HydrophobicContact CG-CG1 3.8Å; L208-I241 PolarHBondContact N-O 3.31Å; L208-I241 PolarHBondContact O-N 3.25Å; A210-I241 HydrophobicContact CB-CD1 4Å; A210-I241 HydrophobicContact CB-CG1 3.99Å; A210-I241 HydrophobicContact CB-CG2 3.98Å; V232-I241 HydrophobicContact CG1-CB 3.8Å; V232-I241 HydrophobicContact CG1-CD1 4.26Å; V232-I241 HydrophobicContact CG1-CG2 4.04Å; L233-I241 CarbonylContact O-C 3.54Å; L233-I241 WeakPolarHBondContact O-CA 3.39Å; E234-I241 HydrophobicContact CB-CG2 4.11Å; E234-I241 HydrophobicContact CG-CG2 4.14Å; I241-F259 HydrophobicContact CD1-CD1 4.44Å; I241-F259 HydrophobicContact CD1-CE1 3.68Å; I241-F259 HydrophobicContact CD1-CE2 4.5Å; I241-F259 HydrophobicContact CD1-CZ 3.7Å; I241-P302 HydrophobicContact CD1-CB 3.98Å
242	A	97.9	Very high	94.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147	-179.8	0	0	0	0	0	112.8	F160 P161 I206 V207 L233	F160-A242 HydrophobicContact CD2-CB 4.31Å; F160-A242 HydrophobicContact CE1-CB 4.5Å; F160-A242 HydrophobicContact CE2-CB 3.63Å; F160-A242 HydrophobicContact CZ-CB 3.72Å; P161-A242 HydrophobicContact CG-CB 3.41Å; P161-A242 VanDerWaalsContact CG-CB 3.41Å; I206-A242 CarbonylContact O-C 3.48Å; I206-A242 VanDerWaalsContact O-CA 3.26Å; I206-A242 WeakPolarHBondContact O-CA 3.3Å; V207-A242 HydrophobicContact CG2-CB 4.01Å; L233-A242 PolarHBondContact N-O 3.39Å; L233-A242 PolarHBondContact O-N 2.84Å
243	V	97.3	Very high	94.7	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.6	168.5	-179.2	0	0	0	0	108.2	R205 I206 V230 V232 F245 L257	R205-V243 VanDerWaalsContact CA-O 3.27Å; R205-V243 WeakPolarHBondContact CA-O 3.49Å; I206-V243 PolarHBondContact N-O 3.4Å; I206-V243 PolarHBondContact O-N 2.98Å; V230-V243 HydrophobicContact CB-CG1 3.78Å; V230-V243 HydrophobicContact CG1-CG1 4.2Å; V230-V243 HydrophobicContact CG2-CG1 3.93Å; V230-V243 HydrophobicContact CG2-CG2 4.2Å; V232-V243 HydrophobicContact CG2-CG2 4.35Å; V243-F245 HydrophobicContact CB-CE2 4.29Å; V243-F245 HydrophobicContact CB-CZ 4.05Å; V243-F245 HydrophobicContact CG1-CE1 3.77Å; V243-F245 HydrophobicContact CG1-CE2 4Å; V243-F245 HydrophobicContact CG1-CZ 3.46Å; V243-F245 VanDerWaalsContact CG1-CZ 3.46Å; V243-L257 HydrophobicContact CG2-CD1 4.16Å; V243-L257 HydrophobicContact CG2-CD2 4.18Å
244	K	95	Very high	94.8	Very high	91 Å²	91	65.3 Å²	65.3	40%	0.396	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.5	174.8	-67.4	172.9	-179.9	160.9	0	109.7	L159 P161 L233	L159-K244 PolarHBondContact O-NZ 2.82Å; P161-K244 HydrophobicContact CB-CG 4.19Å; P161-K244 HydrophobicContact CG-CG 4.11Å; L233-K244 HydrophobicContact CD1-CD 3.82Å; L233-K244 HydrophobicContact CD1-CG 4.3Å; L233-K244 VanDerWaalsContact CD1-NZ 3.3Å
245	F	93.9	Very high	94.8	Very high	24 Å²	24	62.5 Å²	62.5	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.6	177.3	-57.8	-77.7	0	0	0	110.1	N204 I206 F220 V230 V243 E247 L249	N204-F245 PolarHBondContact O-N 3.06Å; I206-F245 HydrophobicContact CB-CE2 4.23Å; I206-F245 HydrophobicContact CD1-CE2 3.77Å; I206-F245 HydrophobicContact CD1-CZ 3.88Å; I206-F245 HydrophobicContact CG1-CE2 3.8Å; I206-F245 HydrophobicContact CG1-CZ 4.39Å; F220-F245 HydrophobicContact CB-CE1 4.14Å; F220-F245 HydrophobicContact CD1-CD1 4.19Å; F220-F245 AromaticContact CD1-CE1 3.51Å; F220-F245 HydrophobicContact CD1-CE1 3.51Å; F220-F245 HydrophobicContact CD1-CZ 4.28Å; F220-F245 AromaticContact CD2-CE1 3.68Å; F220-F245 HydrophobicContact CD2-CE1 3.68Å; F220-F245 AromaticContact CD2-CZ 3.61Å; F220-F245 HydrophobicContact CD2-CZ 3.61Å; F220-F245 HydrophobicContact CE1-CD1 4.12Å; F220-F245 AromaticContact CE1-CE1 3.66Å; F220-F245 HydrophobicContact CE1-CE1 3.66Å; F220-F245 HydrophobicContact CE1-CZ 4.29Å; F220-F245 AromaticContact CE2-CE1 3.83Å; F220-F245 HydrophobicContact CE2-CE1 3.83Å; F220-F245 HydrophobicContact CE2-CE2 4.48Å; F220-F245 AromaticContact CE2-CZ 3.62Å; F220-F245 HydrophobicContact CE2-CZ 3.62Å; F220-F245 AromaticContact CG-CE1 3.5Å; F220-F245 HydrophobicContact CG-CE1 3.5Å; F220-F245 AromaticContact CG-CZ 3.94Å; F220-F245 HydrophobicContact CG-CZ 3.94Å; F220-F245 HydrophobicContact CZ-CD1 4.45Å; F220-F245 AromaticContact CZ-CE1 3.82Å; F220-F245 HydrophobicContact CZ-CE1 3.82Å; F220-F245 AromaticContact CZ-CZ 3.97Å; F220-F245 HydrophobicContact CZ-CZ 3.97Å; V230-F245 HydrophobicContact CG1-CE1 4.46Å; V243-F245 HydrophobicContact CB-CE2 4.29Å; V243-F245 HydrophobicContact CB-CZ 4.05Å; V243-F245 HydrophobicContact CG1-CE1 3.77Å; V243-F245 HydrophobicContact CG1-CE2 4Å; V243-F245 HydrophobicContact CG1-CZ 3.46Å; V243-F245 VanDerWaalsContact CG1-CZ 3.46Å; F245-E247 VanDerWaalsContact C-N 3.32Å; F245-E247 WeakPolarHBondContact CB-O 3.43Å; F245-L249 HydrophobicContact CD2-CD1 3.98Å; F245-L249 HydrophobicContact CD2-CG 4.19Å; F245-L249 HydrophobicContact CE2-CD1 3.93Å; F245-L249 HydrophobicContact CG-CD2 4.37Å; F245-L249 HydrophobicContact CG-CG 4.48Å
246	P	89.9	Confident	95	Very high	137 Å²	137	64.4 Å²	64.4	89%	0.89	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	-30.9	176.3	29	-34.1	0	0	0	112
247	E	91.1	Very high	95.3	Very high	160 Å²	160	59.4 Å²	59.4	75%	0.748	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.9	175.4	-63.2	-175.1	177.2	0	0	110.4	F245 L249	F245-E247 VanDerWaalsContact C-N 3.32Å; F245-E247 WeakPolarHBondContact CB-O 3.43Å; E247-L249 PolarHBondContact O-N 2.83Å
248	E	94.5	Very high	95.8	Very high	96 Å²	96	52 Å²	52	45%	0.449	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.7	174.3	-78.3	-171.1	160.2	0	0	111.5	N204 K250	N204-E248 HydrophobicContact CB-CG 4.44Å; E248-K250 HydrophobicContact CB-CD 4.29Å; E248-K250 WeakPolarHBondContact O-CE 3.42Å; E248-K250 IonicContact OE2-NZ 2.65Å; E248-K250 PolarHBondContact OE2-NZ 3.33Å
249	L	96.2	Very high	96.2	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.7	159.5	-47.7	-177.1	0	0	0	108.6	V199 N202 T203 I206 F220 L222 F245 E247	V199-L249 HydrophobicContact CG1-CB 4.35Å; V199-L249 HydrophobicContact CG2-CB 3.91Å; V199-L249 HydrophobicContact CG2-CD1 4.41Å; N202-L249 VanDerWaalsContact CA-O 3.26Å; N202-L249 WeakPolarHBondContact CA-O 3.4Å; T203-L249 HydrophobicContact CG2-CB 4.42Å; T203-L249 PolarHBondContact N-O 2.84Å; T203-L249 WeakPolarHBondContact O-CB 3.45Å; T203-L249 PolarHBondContact O-N 3.19Å; I206-L249 HydrophobicContact CD1-CD1 3.98Å; I206-L249 HydrophobicContact CG1-CD1 4.16Å; F220-L249 HydrophobicContact CE1-CD2 4.1Å; F220-L249 HydrophobicContact CE2-CD1 4.38Å; F220-L249 HydrophobicContact CZ-CD1 4.03Å; F220-L249 HydrophobicContact CZ-CD2 3.68Å; L222-L249 HydrophobicContact CD1-CD2 4.18Å; L222-L249 HydrophobicContact CD2-CD2 4.41Å; F245-L249 HydrophobicContact CD2-CD1 3.98Å; F245-L249 HydrophobicContact CD2-CG 4.19Å; F245-L249 HydrophobicContact CE2-CD1 3.93Å; F245-L249 HydrophobicContact CG-CD2 4.37Å; F245-L249 HydrophobicContact CG-CG 4.48Å; E247-L249 PolarHBondContact O-N 2.83Å
250	K	96.9	Very high	96.3	Very high	94 Å²	94	51.2 Å²	51.2	41%	0.409	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-100.9	149	-175.7	-55.9	-59.2	177.9	175.5	0	111.8	V199 N202 E248 N252 Q253	V199-K250 VanDerWaalsContact CB-O 3.32Å; V199-K250 WeakPolarHBondContact CB-O 3.04Å; V199-K250 WeakPolarHBondContact CG1-O 3.17Å; N202-K250 WeakPolarHBondContact OD1-CA 3.33Å; E248-K250 HydrophobicContact CB-CD 4.29Å; E248-K250 WeakPolarHBondContact O-CE 3.42Å; E248-K250 IonicContact OE2-NZ 2.65Å; E248-K250 PolarHBondContact OE2-NZ 3.33Å; K250-N252 PolarHBondContact O-N 2.94Å; K250-Q253 HydrophobicContact CB-CG 4.33Å; K250-Q253 WeakPolarHBondContact O-CB 3.24Å; K250-Q253 WeakPolarHBondContact O-CG 3.42Å; K250-Q253 PolarHBondContact O-N 3.33Å; K250-Q253 VanDerWaalsContact O-N 3.14Å
251	T	96.6	Very high	96.4	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	140.1	175	-68.2	0	0	0	0	112	V199 L200 H201 N202 Q253	V199-T251 CarbonylContact O-C 3.57Å; V199-T251 WeakPolarHBondContact O-CA 3.22Å; L200-T251 WeakPolarHBondContact O-CG2 3.4Å; L200-T251 PolarHBondContact O-OG1 3Å; H201-T251 WeakPolarHBondContact CA-OG1 3.26Å; N202-T251 PolarHBondContact OD1-N 3.05Å; T251-Q253 VanDerWaalsContact C-N 3.28Å; T251-Q253 PolarHBondContact O-N 2.9Å
252	N	94.4	Very high	96.4	Very high	133 Å²	133	54 Å²	54	71%	0.711	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	-3.7	-175	-54.6	-41.9	0	0	0	117	V199 K250	V199-N252 PolarHBondContact O-N 2.82Å; K250-N252 PolarHBondContact O-N 2.94Å
253	Q	96.3	Very high	96.4	Very high	47 Å²	47	54.5 Å²	54.5	22%	0.22	28%	0.28	C	S	.	.			trans	-68.1	145.9	168.9	-65.3	-169	-75	0	0	111.2	V199 L222 D223 K250 T251	V199-Q253 HydrophobicContact CG2-CB 4.32Å; V199-Q253 PolarHBondContact N-O 2.92Å; L222-Q253 HydrophobicContact CD1-CB 3.98Å; D223-Q253 PolarHBondContact OD2-NE2 3.3Å; D223-Q253 VanDerWaalsContact OD2-NE2 3.16Å; K250-Q253 HydrophobicContact CB-CG 4.33Å; K250-Q253 WeakPolarHBondContact O-CB 3.24Å; K250-Q253 WeakPolarHBondContact O-CG 3.42Å; K250-Q253 PolarHBondContact O-N 3.33Å; K250-Q253 VanDerWaalsContact O-N 3.14Å; T251-Q253 VanDerWaalsContact C-N 3.28Å; T251-Q253 PolarHBondContact O-N 2.9Å
254	Q	97	Very high	96.4	Very high	80 Å²	80	60 Å²	60	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142	172	-65.8	-173.1	11.2	0	0	109.8	M197 D223	M197-Q254 WeakPolarHBondContact O-CA 3.41Å; D223-Q254 WeakPolarHBondContact CA-O 3.23Å; D223-Q254 PolarHBondContact N-O 3.39Å; D223-Q254 PolarHBondContact OD1-N 2.91Å
255	C	96.9	Very high	96.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.3	176.3	56.9	0	0	0	0	111.8	K196 M197 F220 K221 L222	K196-C255 WeakPolarHBondContact CA-O 3.28Å; M197-C255 PolarHBondContact N-O 3.1Å; M197-C255 PolarHBondContact O-N 3.36Å; F220-C255 HydrophobicContact CD2-CB 4.45Å; F220-C255 HydrophobicContact CE2-CB 3.46Å; F220-C255 VanDerWaalsContact CE2-CB 3.46Å; F220-C255 HydrophobicContact CZ-CB 3.65Å; K221-C255 CarbonylContact O-C 3.52Å; K221-C255 VanDerWaalsContact O-CA 3.23Å; K221-C255 WeakPolarHBondContact O-CA 3.31Å; K221-C255 WeakPolarHBondContact O-CB 3.47Å; L222-C255 HydrophobicContact CD1-CB 4.2Å
256	V	98.3	Very high	96.6	Very high	44 Å²	44	56 Å²	56	27%	0.267	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.6	172.8	-175.2	0	0	0	0	108.3	A194 I195 K196 F220 K221	A194-V256 HydrophobicContact CB-CG1 4.38Å; I195-V256 VanDerWaalsContact O-CA 3.3Å; I195-V256 WeakPolarHBondContact O-CA 3.39Å; K196-V256 HydrophobicContact CB-CG2 4.34Å; K196-V256 HydrophobicContact CG-CG2 4.28Å; F220-V256 WeakPolarHBondContact CA-O 3.47Å; K221-V256 HydrophobicContact CB-CB 4.5Å; K221-V256 PolarHBondContact N-O 3.43Å; K221-V256 PolarHBondContact O-N 3.02Å
257	L	98.4	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.5	171.6	-174.1	63.3	0	0	0	107.7	I195 M197 I206 L208 T219 F220 V230 V243 F259	I195-L257 PolarHBondContact N-O 3.29Å; I195-L257 PolarHBondContact O-N 2.95Å; M197-L257 HydrophobicContact CE-CB 3.46Å; M197-L257 VanDerWaalsContact CE-CB 3.46Å; I206-L257 HydrophobicContact CG2-CD2 4.16Å; L208-L257 HydrophobicContact CD2-CD2 4.32Å; T219-L257 WeakPolarHBondContact O-CA 3.45Å; F220-L257 HydrophobicContact CB-CD1 4.2Å; F220-L257 HydrophobicContact CD2-CD1 4.27Å; V230-L257 HydrophobicContact CG2-CD1 3.95Å; V243-L257 HydrophobicContact CG2-CD1 4.16Å; V243-L257 HydrophobicContact CG2-CD2 4.18Å; L257-F259 HydrophobicContact CD1-CZ 4.4Å; L257-F259 HydrophobicContact CD2-CE1 4.4Å; L257-F259 HydrophobicContact CD2-CE2 3.72Å; L257-F259 HydrophobicContact CD2-CZ 3.41Å; L257-F259 VanDerWaalsContact CD2-CZ 3.41Å; L257-F259 HydrophobicContact CG-CE1 4.4Å; L257-F259 HydrophobicContact CG-CE2 3.7Å; L257-F259 HydrophobicContact CG-CZ 3.64Å
258	T	98.8	Very high	96.5	Very high	24 Å²	24	48 Å²	48	15%	0.147	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	-176.5	-52.6	0	0	0	0	110.1	K192 A193 A194 A218 T219	K192-T258 HydrophobicContact CG-CG2 4.35Å; A193-T258 CarbonylContact O-C 3.59Å; A193-T258 VanDerWaalsContact O-CA 3.32Å; A193-T258 WeakPolarHBondContact O-CA 3.28Å; A194-T258 HydrophobicContact CB-CG2 4.11Å; A218-T258 CarbonylContact C-O 3.53Å; A218-T258 VanDerWaalsContact CA-O 3.26Å; A218-T258 WeakPolarHBondContact CA-O 3.3Å; T219-T258 PolarHBondContact N-O 2.86Å; T219-T258 PolarHBondContact O-N 2.93Å
259	F	98.8	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.6	174.8	-59	-82	0	0	0	110.8	K192 A193 I195 L208 I215 K217 A218 V232 I241 L257 Y261 P302	K192-F259 CarbonylContact C-O 3.31Å; K192-F259 VanDerWaalsContact CA-O 3.27Å; K192-F259 WeakPolarHBondContact CA-O 3.47Å; A193-F259 PolarHBondContact N-O 2.92Å; A193-F259 PolarHBondContact O-N 3.35Å; I195-F259 HydrophobicContact CD1-CD2 4.37Å; I195-F259 HydrophobicContact CD1-CE2 3.99Å; L208-F259 HydrophobicContact CD1-CE2 3.83Å; L208-F259 HydrophobicContact CD1-CZ 4.13Å; L208-F259 HydrophobicContact CD2-CZ 4.14Å; I215-F259 HydrophobicContact CG2-CD1 3.94Å; K217-F259 CarbonylContact O-C 3.56Å; K217-F259 WeakPolarHBondContact O-CA 3.42Å; A218-F259 HydrophobicContact CB-CD1 3.85Å; A218-F259 HydrophobicContact CB-CE1 4Å; V232-F259 HydrophobicContact CG2-CE1 4.07Å; I241-F259 HydrophobicContact CD1-CD1 4.44Å; I241-F259 HydrophobicContact CD1-CE1 3.68Å; I241-F259 HydrophobicContact CD1-CE2 4.5Å; I241-F259 HydrophobicContact CD1-CZ 3.7Å; L257-F259 HydrophobicContact CD1-CZ 4.4Å; L257-F259 HydrophobicContact CD2-CE1 4.4Å; L257-F259 HydrophobicContact CD2-CE2 3.72Å; L257-F259 HydrophobicContact CD2-CZ 3.41Å; L257-F259 VanDerWaalsContact CD2-CZ 3.41Å; L257-F259 HydrophobicContact CG-CE1 4.4Å; L257-F259 HydrophobicContact CG-CE2 3.7Å; L257-F259 HydrophobicContact CG-CZ 3.64Å; F259-Y261 HydrophobicContact CB-CD1 4.13Å; F259-P302 HydrophobicContact CB-CG 4.17Å; F259-P302 HydrophobicContact CD2-CB 3.9Å; F259-P302 HydrophobicContact CD2-CG 4.07Å; F259-P302 HydrophobicContact CE2-CB 4.03Å; F259-P302 HydrophobicContact CG-CB 4.32Å; F259-P302 HydrophobicContact CG-CG 4.04Å
260	E	98.8	Very high	96.3	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.341	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.7	164.3	-62.6	176.1	175.7	0	0	107.4	G191 K192 T216 K217	G191-E260 WeakPolarHBondContact O-CA 3.41Å; K192-E260 HydrophobicContact CB-CG 4.42Å; K192-E260 HydrophobicContact CD-CG 4.1Å; K192-E260 WeakPolarHBondContact CE-OE1 3.38Å; K192-E260 HydrophobicContact CG-CG 4.05Å; K192-E260 IonicContact NZ-OE1 2.7Å; K192-E260 PolarHBondContact NZ-OE1 3.16Å; T216-E260 PolarHBondContact N-O 3.43Å; T216-E260 PolarHBondContact OG1-O 2.83Å; K217-E260 HydrophobicContact CB-CB 4.23Å; K217-E260 PolarHBondContact N-O 2.95Å; K217-E260 VanDerWaalsContact N-O 3.13Å; K217-E260 PolarHBondContact O-N 3.35Å
261	Y	98.8	Very high	96.3	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	166.6	-168	58.9	-86.5	0	0	0	112.7	F180 F189 T190 G191 A193 L213 N214 I215 F259 A300 F301 P302	F180-Y261 WeakPolarHBondContact CE1-OH 3.33Å; F189-Y261 AromaticContact CE2-CE2 3.96Å; F189-Y261 HydrophobicContact CE2-CE2 3.96Å; T190-Y261 WeakPolarHBondContact CA-O 3.33Å; G191-Y261 VanDerWaalsContact C-CE1 3.43Å; G191-Y261 PolarHBondContact N-O 3.4Å; G191-Y261 WeakPolarHBondContact O-CD1 3.45Å; G191-Y261 WeakPolarHBondContact O-CE1 3.11Å; G191-Y261 PolarHBondContact O-N 2.9Å; A193-Y261 HydrophobicContact CB-CE1 4.1Å; L213-Y261 HydrophobicContact CB-CD2 4.35Å; L213-Y261 HydrophobicContact CD1-CD2 4.27Å; L213-Y261 HydrophobicContact CD1-CE2 4.2Å; L213-Y261 HydrophobicContact CD2-CD2 4.02Å; L213-Y261 HydrophobicContact CD2-CE2 4.09Å; L213-Y261 HydrophobicContact CG-CD2 4.45Å; N214-Y261 WeakPolarHBondContact O-CA 3.33Å; N214-Y261 VanDerWaalsContact O-CB 3.27Å; N214-Y261 WeakPolarHBondContact O-CB 3.46Å; I215-Y261 HydrophobicContact CD1-CD1 4.49Å; I215-Y261 HydrophobicContact CD1-CG 4.26Å; F259-Y261 HydrophobicContact CB-CD1 4.13Å; Y261-A300 VanDerWaalsContact CE2-O 3.29Å; Y261-A300 WeakPolarHBondContact CE2-O 3.27Å; Y261-A300 PolarHBondContact OH-O 3.46Å; Y261-F301 VanDerWaalsContact OH-CB 3.24Å; Y261-F301 WeakPolarHBondContact OH-CB 3.37Å; Y261-P302 HydrophobicContact CD1-CG 4.38Å; Y261-P302 HydrophobicContact CE1-CG 4.38Å
262	N	98.5	Very high	96.3	Very high	57 Å²	57	38 Å²	38	31%	0.305	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.9	170.5	59	90.1	0	0	0	110.8	F189 T190 N214 T216	F189-N262 WeakPolarHBondContact O-CA 3.5Å; T190-N262 HydrophobicContact CG2-CB 4.22Å; N214-N262 WeakPolarHBondContact CB-O 3.48Å; N214-N262 WeakPolarHBondContact CB-OD1 3.33Å; N214-N262 PolarHBondContact N-O 3.37Å; N214-N262 PolarHBondContact ND2-ND2 3.23Å; N214-N262 VanDerWaalsContact ND2-ND2 3.16Å; N214-N262 PolarHBondContact ND2-OD1 3.09Å; N214-N262 PolarHBondContact O-N 3.44Å; T216-N262 WeakPolarHBondContact CG2-ND2 3.27Å
263	A	98.2	Very high	96.5	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	166.9	174.6	0	0	0	0	0	110.9	T188 F189 N212 L213	T188-A263 CarbonylContact C-O 3.57Å; T188-A263 WeakPolarHBondContact CA-O 3.37Å; F189-A263 HydrophobicContact CD1-CB 4.24Å; F189-A263 HydrophobicContact CE1-CB 3.57Å; F189-A263 HydrophobicContact CZ-CB 3.74Å; F189-A263 PolarHBondContact N-O 3.05Å; F189-A263 PolarHBondContact O-N 3.2Å; N212-A263 WeakPolarHBondContact O-CB 3.13Å; L213-A263 HydrophobicContact CD2-CB 3.71Å
264	N	98.1	Very high	96.4	Very high	116 Å²	116	31.3 Å²	31.3	62%	0.62	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	150.3	168.4	-63.1	-14.3	0	0	0	109.2	T188	T188-N264 WeakPolarHBondContact CG2-OD1 3.49Å
265	L	97.7	Very high	96.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-64.6	135.6	163.4	-67.8	177.4	0	0	0	108.5	L184 M187 F189 H267 F272 N274 A288	L184-L265 HydrophobicContact CD2-CD1 3.85Å; M187-L265 PolarHBondContact O-N 2.66Å; M187-L265 HydrophobicContact SD-CD1 4.13Å; F189-L265 HydrophobicContact CD1-CD2 3.89Å; F189-L265 HydrophobicContact CD1-CG 4.49Å; F189-L265 HydrophobicContact CE1-CD2 4.46Å; L265-H267 PolarHBondContact O-N 3.21Å; L265-F272 WeakPolarHBondContact CA-O 3.43Å; L265-F272 HydrophobicContact CD2-CB 4.4Å; L265-F272 HydrophobicContact CD2-CD1 3.39Å; L265-F272 HydrophobicContact CD2-CD2 4.03Å; L265-F272 HydrophobicContact CD2-CE1 3.52Å; L265-F272 HydrophobicContact CD2-CE2 4.13Å; L265-F272 HydrophobicContact CD2-CG 3.65Å; L265-F272 HydrophobicContact CD2-CZ 3.88Å; L265-N274 HydrophobicContact CB-CB 4.21Å; L265-N274 HydrophobicContact CD1-CB 4.08Å; L265-A288 HydrophobicContact CD1-CB 3.82Å; L265-A288 HydrophobicContact CD2-CB 4.15Å
266	S	95.2	Very high	96	Very high	30 Å²	30	29.2 Å²	29.2	21%	0.21	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-58.9	137.7	176.3	179.7	0	0	0	0	110.8	S268 D270 F272 Y273 N274	S266-S268 VanDerWaalsContact C-N 3.31Å; S266-S268 PolarHBondContact OG-N 2.89Å; S266-S268 VanDerWaalsContact OG-N 3.16Å; S266-D270 WeakPolarHBondContact CB-O 3.33Å; S266-D270 PolarHBondContact OG-O 3.2Å; S266-F272 PolarHBondContact N-O 3.31Å; S266-Y273 VanDerWaalsContact O-CA 3.32Å; S266-Y273 WeakPolarHBondContact O-CA 3.31Å; S266-Y273 WeakPolarHBondContact O-CB 3.43Å; S266-N274 PolarHBondContact O-N 2.94Å; S266-N274 PolarHBondContact O-ND2 3.27Å
267	H	89.9	Confident	95.6	Very high	114 Å²	114	28.2 Å²	28.2	53%	0.528	15%	0.149	S	C	.	.	S	Bend	trans	-96.4	12.8	170	-60.4	-72.9	0	0	0	111.9	L265 N274 K952	L265-H267 PolarHBondContact O-N 3.21Å; H267-N274 PolarHBondContact ND1-ND2 3.41Å; H267-K952 PolarHBondContact O-NZ 3.36Å
268	S	89.1	Confident	95.1	Very high	17 Å²	17	32.9 Å²	32.9	12%	0.119	18%	0.178	C	C	.	.	S	Bend	trans	-105.4	-170	168.3	-169.6	0	0	0	0	108.7	S266 Y273 K952	S266-S268 VanDerWaalsContact C-N 3.31Å; S266-S268 PolarHBondContact OG-N 2.89Å; S266-S268 VanDerWaalsContact OG-N 3.16Å; S268-Y273 WeakPolarHBondContact O-CB 3.31Å; S268-K952 PolarHBondContact OG-O 2.88Å; S268-K952 VanDerWaalsContact OG-O 3.06Å
269	Y	91.1	Very high	94.5	Very high	28 Å²	28	32.6 Å²	32.6	11%	0.11	18%	0.176	C	C	.	.	S	Bend	trans	-96.7	18.9	-177.9	-61.2	-79.6	0	0	0	113.8	Q291 D423 L425 T918 Q919 F953	Y269-Q291 WeakPolarHBondContact O-CB 3.33Å; Y269-D423 HydrophobicContact CE1-CB 4.05Å; Y269-L425 HydrophobicContact CD1-CB 4.19Å; Y269-L425 HydrophobicContact CD2-CB 4.16Å; Y269-L425 HydrophobicContact CD2-CD1 4.17Å; Y269-L425 HydrophobicContact CD2-CD2 4.26Å; Y269-L425 HydrophobicContact CD2-CG 4.45Å; Y269-L425 HydrophobicContact CG-CB 3.7Å; Y269-L425 HydrophobicContact CG-CD2 4.43Å; Y269-L425 HydrophobicContact CG-CG 4.46Å; Y269-T918 WeakPolarHBondContact OH-CB 3.42Å; Y269-Q919 HydrophobicContact CE1-CB 4.09Å; Y269-Q919 PolarHBondContact OH-N 2.93Å; Y269-F953 HydrophobicContact CD2-CD1 4.39Å; Y269-F953 HydrophobicContact CD2-CE1 4.25Å; Y269-F953 AromaticContact CE2-CE1 3.96Å; Y269-F953 HydrophobicContact CE2-CE1 3.96Å
270	D	94	Very high	93.8	Very high	15 Å²	15	39 Å²	39	8%	0.08	20%	0.204	C	C	.	.	S	Bend	trans	-140.6	163.3	-174	80.4	-4.7	0	0	0	114.3	S266 S296 K299	S266-D270 WeakPolarHBondContact CB-O 3.33Å; S266-D270 PolarHBondContact OG-O 3.2Å; D270-S296 PolarHBondContact OD2-OG 3.13Å; D270-K299 IonicContact OD1-NZ 2.82Å; D270-K299 PolarHBondContact OD1-NZ 2.94Å; D270-K299 IonicContact OD2-NZ 2.95Å; D270-K299 PolarHBondContact OD2-NZ 3.18Å
271	G	97	Very high	93.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.5	-144.3	-170.9	0	0	0	0	0	110.8	T290 Q291 F292	G271-T290 WeakPolarHBondContact O-CA 3.32Å; G271-Q291 PolarHBondContact N-O 3.41Å; G271-Q291 PolarHBondContact O-N 3.22Å; G271-F292 WeakPolarHBondContact O-CE1 3.31Å
272	F	98.4	Very high	92.4	Very high	3 Å²	3	45 Å²	45	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.3	167.6	-174.8	-150.4	0	0	0	107.7	P182 F189 L265 S266 A288 A289 T290 A300 F360	P182-F272 HydrophobicContact CB-CE1 3.97Å; P182-F272 HydrophobicContact CB-CZ 3.84Å; P182-F272 HydrophobicContact CG-CE1 4.49Å; P182-F272 HydrophobicContact CG-CZ 4.12Å; F189-F272 HydrophobicContact CB-CD1 4.36Å; F189-F272 HydrophobicContact CB-CE1 4.01Å; F189-F272 AromaticContact CD1-CD1 3.71Å; F189-F272 HydrophobicContact CD1-CD1 3.71Å; F189-F272 HydrophobicContact CD1-CE1 4.19Å; F189-F272 AromaticContact CD2-CD1 3.94Å; F189-F272 HydrophobicContact CD2-CD1 3.94Å; F189-F272 HydrophobicContact CD2-CE1 4.2Å; F189-F272 HydrophobicContact CE1-CB 4.42Å; F189-F272 AromaticContact CE1-CD1 3.85Å; F189-F272 HydrophobicContact CE1-CD1 3.85Å; F189-F272 HydrophobicContact CE2-CD1 4.06Å; F189-F272 AromaticContact CG-CD1 3.76Å; F189-F272 HydrophobicContact CG-CD1 3.76Å; F189-F272 AromaticContact CG-CE1 3.9Å; F189-F272 HydrophobicContact CG-CE1 3.9Å; F189-F272 HydrophobicContact CZ-CB 4.46Å; F189-F272 HydrophobicContact CZ-CD1 4.03Å; L265-F272 WeakPolarHBondContact CA-O 3.43Å; L265-F272 HydrophobicContact CD2-CB 4.4Å; L265-F272 HydrophobicContact CD2-CD1 3.39Å; L265-F272 HydrophobicContact CD2-CD2 4.03Å; L265-F272 HydrophobicContact CD2-CE1 3.52Å; L265-F272 HydrophobicContact CD2-CE2 4.13Å; L265-F272 HydrophobicContact CD2-CG 3.65Å; L265-F272 HydrophobicContact CD2-CZ 3.88Å; S266-F272 PolarHBondContact N-O 3.31Å; F272-A288 HydrophobicContact CD2-CB 4.24Å; F272-A288 HydrophobicContact CE2-CB 3.45Å; F272-A288 VanDerWaalsContact CE2-CB 3.45Å; F272-A288 HydrophobicContact CZ-CB 3.82Å; F272-A289 WeakPolarHBondContact CD2-O 3.46Å; F272-T290 HydrophobicContact CB-CG2 4.47Å; F272-T290 HydrophobicContact CD2-CG2 3.88Å; F272-T290 HydrophobicContact CG-CG2 4.48Å; F272-A300 HydrophobicContact CB-CB 3.94Å; F272-F360 HydrophobicContact CD1-CE2 4.01Å; F272-F360 HydrophobicContact CD2-CD2 4.23Å; F272-F360 AromaticContact CD2-CE2 3.62Å; F272-F360 HydrophobicContact CD2-CE2 3.62Å; F272-F360 HydrophobicContact CD2-CZ 4.48Å; F272-F360 AromaticContact CE1-CE2 3.94Å; F272-F360 HydrophobicContact CE1-CE2 3.94Å; F272-F360 AromaticContact CE2-CD2 3.86Å; F272-F360 HydrophobicContact CE2-CD2 3.86Å; F272-F360 AromaticContact CE2-CE2 3.55Å; F272-F360 HydrophobicContact CE2-CE2 3.55Å; F272-F360 AromaticContact CG-CE2 3.87Å; F272-F360 HydrophobicContact CG-CE2 3.87Å; F272-F360 HydrophobicContact CG-CZ 4.43Å; F272-F360 HydrophobicContact CZ-CD2 4.17Å; F272-F360 AromaticContact CZ-CE2 3.73Å; F272-F360 HydrophobicContact CZ-CE2 3.73Å
273	Y	97.3	Very high	91.9	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	160	-167	67.4	-86.6	0	0	0	112.5	S266 S268 A288 A289 Q291 D423 F424	S266-Y273 VanDerWaalsContact O-CA 3.32Å; S266-Y273 WeakPolarHBondContact O-CA 3.31Å; S266-Y273 WeakPolarHBondContact O-CB 3.43Å; S268-Y273 WeakPolarHBondContact O-CB 3.31Å; Y273-A288 VanDerWaalsContact O-CA 3.22Å; Y273-A288 WeakPolarHBondContact O-CA 3.5Å; Y273-A288 WeakPolarHBondContact O-CB 3.43Å; Y273-A289 WeakPolarHBondContact CD1-O 3.22Å; Y273-A289 HydrophobicContact CE1-CB 4.11Å; Y273-A289 WeakPolarHBondContact CE1-O 3.3Å; Y273-A289 HydrophobicContact CE2-CB 4.3Å; Y273-A289 PolarHBondContact N-O 2.97Å; Y273-A289 PolarHBondContact O-N 3.34Å; Y273-Q291 HydrophobicContact CD1-CB 4.46Å; Y273-Q291 HydrophobicContact CE1-CB 3.84Å; Y273-D423 WeakPolarHBondContact CE2-O 3.44Å; Y273-D423 PolarHBondContact OH-O 3.02Å; Y273-F424 WeakPolarHBondContact OH-CD2 3.09Å
274	N	94.8	Very high	91.6	Very high	37 Å²	37	52.7 Å²	52.7	20%	0.198	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.6	172.4	56.2	83.1	0	0	0	111.6	M187 L265 S266 H267	M187-N274 HydrophobicContact SD-CB 3.66Å; L265-N274 HydrophobicContact CB-CB 4.21Å; L265-N274 HydrophobicContact CD1-CB 4.08Å; S266-N274 PolarHBondContact O-N 2.94Å; S266-N274 PolarHBondContact O-ND2 3.27Å; H267-N274 PolarHBondContact ND1-ND2 3.41Å
275	S	93.5	Very high	91.3	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.028	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.3	174	165.9	0	0	0	0	109.4	L287 D423	S275-L287 PolarHBondContact N-O 2.91Å; S275-L287 PolarHBondContact O-N 3.02Å; S275-D423 VanDerWaalsContact CA-OD2 3.31Å; S275-D423 WeakPolarHBondContact CA-OD2 3.38Å; S275-D423 VanDerWaalsContact CB-OD2 3.29Å; S275-D423 WeakPolarHBondContact CB-OD2 3.34Å; S275-D423 WeakPolarHBondContact OG-CB 3.41Å; S275-D423 PolarHBondContact OG-N 3.04Å; S275-D423 PolarHBondContact OG-OD2 3.08Å
276	S	91.9	Very high	91.2	Very high	34 Å²	34	53.7 Å²	53.7	24%	0.238	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.5	176.8	63.9	0	0	0	0	113.4	K284 R285 D423	S276-K284 VanDerWaalsContact CB-CE 3.49Å; S276-K284 WeakPolarHBondContact OG-CE 3.25Å; S276-R285 CarbonylContact C-O 3.54Å; S276-R285 WeakPolarHBondContact CA-O 3.26Å; S276-R285 WeakPolarHBondContact CB-O 3.27Å; S276-D423 PolarHBondContact N-OD2 3.24Å
277	Y	90.1	Very high	91.3	Very high	23 Å²	23	52.3 Å²	52.3	9%	0.09	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.3	171.3	67.2	-86	0	0	0	110.3	D279 R285 L287 N364 V382 P422	Y277-D279 HydrophobicContact CE2-CB 4.36Å; Y277-R285 HydrophobicContact CD1-CB 3.92Å; Y277-R285 HydrophobicContact CD2-CB 4.16Å; Y277-R285 HydrophobicContact CD2-CG 4.35Å; Y277-R285 HydrophobicContact CE1-CB 3.5Å; Y277-R285 HydrophobicContact CE1-CG 4.3Å; Y277-R285 HydrophobicContact CE2-CB 3.78Å; Y277-R285 HydrophobicContact CE2-CG 3.72Å; Y277-R285 HydrophobicContact CG-CB 4.23Å; Y277-R285 VanDerWaalsContact CZ-CB 3.43Å; Y277-R285 PolarHBondContact N-O 3.44Å; Y277-R285 PolarHBondContact O-N 2.96Å; Y277-L287 HydrophobicContact CD1-CD2 3.92Å; Y277-L287 HydrophobicContact CE1-CD2 4.18Å; Y277-N364 PolarHBondContact OH-O 3.33Å; Y277-V382 HydrophobicContact CD1-CG1 3.6Å; Y277-V382 HydrophobicContact CD2-CB 4.22Å; Y277-V382 HydrophobicContact CD2-CG1 3.83Å; Y277-V382 HydrophobicContact CE1-CB 4.45Å; Y277-V382 HydrophobicContact CE1-CG1 3.57Å; Y277-V382 HydrophobicContact CE2-CB 3.93Å; Y277-V382 HydrophobicContact CE2-CG1 3.8Å; Y277-V382 HydrophobicContact CG-CG1 3.73Å; Y277-P422 HydrophobicContact CD1-CG 4.22Å; Y277-P422 HydrophobicContact CG-CG 4.46Å
278	T	87.6	Confident	91.7	Very high	98 Å²	98	46.9 Å²	46.9	60%	0.601	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	171.9	-55	0	0	0	0	108.5	N283	T278-N283 WeakPolarHBondContact CA-O 3.25Å
279	D	85.9	Confident	92.2	Very high	18 Å²	18	46 Å²	46	10%	0.096	24%	0.241	C	C	.	.			trans	-76	167.3	174.8	68.4	23.7	0	0	0	112.2	Y277 L281 G282 N283 R285	Y277-D279 HydrophobicContact CE2-CB 4.36Å; D279-L281 PolarHBondContact O-N 3.31Å; D279-L281 WeakPolarHBondContact OD1-CA 3.17Å; D279-L281 WeakPolarHBondContact OD1-CB 3.34Å; D279-L281 PolarHBondContact OD1-N 3.38Å; D279-G282 PolarHBondContact O-N 3.37Å; D279-G282 PolarHBondContact OD1-N 2.92Å; D279-N283 PolarHBondContact N-O 2.96Å; D279-N283 WeakPolarHBondContact OD1-CB 3.49Å; D279-N283 PolarHBondContact OD1-N 2.9Å; D279-N283 PolarHBondContact OD1-ND2 3.18Å; D279-R285 HydrophobicContact CB-CG 4.32Å; D279-R285 IonicContact OD2-CZ 3.26Å; D279-R285 IonicContact OD2-NE 3.96Å; D279-R285 PolarHBondContact OD2-NE 3.28Å; D279-R285 IonicContact OD2-NH2 3.88Å; D279-R285 PolarHBondContact OD2-NH2 3.32Å
280	K	83	Confident	92.5	Very high	135 Å²	135	44.7 Å²	44.7	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.1	178.3	-79	-179.3	-163.4	125.3	0	114.9	D384	K280-D384 HydrophobicContact CD-CB 4.34Å; K280-D384 WeakPolarHBondContact CD-OD1 3.29Å; K280-D384 VanDerWaalsContact CE-OD1 3.24Å; K280-D384 WeakPolarHBondContact CE-OD1 3.45Å; K280-D384 HydrophobicContact CG-CB 4.22Å; K280-D384 VanDerWaalsContact CG-CG 3.48Å; K280-D384 WeakPolarHBondContact CG-OD1 3.39Å; K280-D384 PolarHBondContact N-OD2 2.96Å; K280-D384 PolarHBondContact NZ-O 3.43Å; K280-D384 IonicContact NZ-OD1 2.94Å; K280-D384 PolarHBondContact NZ-OD1 3.39Å
281	L	85.6	Confident	92.7	Very high	149 Å²	149	45.1 Å²	45.1	78%	0.78	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.6	176.1	-60.7	174.9	0	0	0	112.5	D279 N283	D279-L281 PolarHBondContact O-N 3.31Å; D279-L281 WeakPolarHBondContact OD1-CA 3.17Å; D279-L281 WeakPolarHBondContact OD1-CB 3.34Å; D279-L281 PolarHBondContact OD1-N 3.38Å; L281-N283 VanDerWaalsContact CB-ND2 3.27Å; L281-N283 WeakPolarHBondContact CB-ND2 3.42Å
282	G	83.5	Confident	92.8	Very high	56 Å²	56	45.1 Å²	45.1	58%	0.577	24%	0.237	S	C	*	.	S	Bend	trans	83.2	5.8	-179.7	0	0	0	0	0	114.6	D279	D279-G282 PolarHBondContact O-N 3.37Å; D279-G282 PolarHBondContact OD1-N 2.92Å
283	N	89.1	Confident	92.8	Very high	75 Å²	75	45.9 Å²	45.9	40%	0.401	24%	0.241	S	C	.	.			trans	-85	132.6	-178.5	-51.7	-83.1	0	0	0	110.8	T278 D279 L281 R285	T278-N283 WeakPolarHBondContact CA-O 3.25Å; D279-N283 PolarHBondContact N-O 2.96Å; D279-N283 WeakPolarHBondContact OD1-CB 3.49Å; D279-N283 PolarHBondContact OD1-N 2.9Å; D279-N283 PolarHBondContact OD1-ND2 3.18Å; L281-N283 VanDerWaalsContact CB-ND2 3.27Å; L281-N283 WeakPolarHBondContact CB-ND2 3.42Å; N283-R285 PolarHBondContact O-N 3.37Å
284	K	90.3	Very high	92.8	Very high	152 Å²	152	46 Å²	46	66%	0.661	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.9	169.2	-169.7	170.8	-174.2	169.9	0	109.8	S276	S276-K284 VanDerWaalsContact CB-CE 3.49Å; S276-K284 WeakPolarHBondContact OG-CE 3.25Å
285	R	93.1	Very high	92.9	Very high	106 Å²	106	45 Å²	45	40%	0.4	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.6	172.2	-58.5	-59.5	-178.6	167.9	-1.4	108.9	S276 Y277 D279 N283	S276-R285 CarbonylContact C-O 3.54Å; S276-R285 WeakPolarHBondContact CA-O 3.26Å; S276-R285 WeakPolarHBondContact CB-O 3.27Å; Y277-R285 HydrophobicContact CD1-CB 3.92Å; Y277-R285 HydrophobicContact CD2-CB 4.16Å; Y277-R285 HydrophobicContact CD2-CG 4.35Å; Y277-R285 HydrophobicContact CE1-CB 3.5Å; Y277-R285 HydrophobicContact CE1-CG 4.3Å; Y277-R285 HydrophobicContact CE2-CB 3.78Å; Y277-R285 HydrophobicContact CE2-CG 3.72Å; Y277-R285 HydrophobicContact CG-CB 4.23Å; Y277-R285 VanDerWaalsContact CZ-CB 3.43Å; Y277-R285 PolarHBondContact N-O 3.44Å; Y277-R285 PolarHBondContact O-N 2.96Å; D279-R285 HydrophobicContact CB-CG 4.32Å; D279-R285 IonicContact OD2-CZ 3.26Å; D279-R285 IonicContact OD2-NE 3.96Å; D279-R285 PolarHBondContact OD2-NE 3.28Å; D279-R285 IonicContact OD2-NH2 3.88Å; D279-R285 PolarHBondContact OD2-NH2 3.32Å; N283-R285 PolarHBondContact O-N 3.37Å
286	V	95.9	Very high	93.1	Very high	33 Å²	33	45 Å²	45	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.4	-178.9	-63.6	0	0	0	0	110.3	L184 M187 Y323	L184-V286 HydrophobicContact CB-CG2 4.07Å; M187-V286 HydrophobicContact CE-CB 3.86Å; M187-V286 HydrophobicContact CE-CG1 3.67Å; M187-V286 HydrophobicContact CE-CG2 4.18Å; V286-Y323 WeakPolarHBondContact O-CE1 3.3Å
287	L	97.1	Very high	93.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.6	174.8	65.3	113	0	0	0	109.9	S275 Y277 A289 V362 A363 F365 I421 P422	S275-L287 PolarHBondContact N-O 2.91Å; S275-L287 PolarHBondContact O-N 3.02Å; Y277-L287 HydrophobicContact CD1-CD2 3.92Å; Y277-L287 HydrophobicContact CE1-CD2 4.18Å; L287-A289 HydrophobicContact CD1-CB 4.26Å; L287-V362 WeakPolarHBondContact CA-O 3.34Å; L287-V362 WeakPolarHBondContact CB-O 3.46Å; L287-A363 HydrophobicContact CB-CB 3.73Å; L287-F365 HydrophobicContact CD1-CZ 4.32Å; L287-F365 HydrophobicContact CD2-CE1 4.18Å; L287-F365 HydrophobicContact CD2-CZ 4.15Å; L287-I421 HydrophobicContact CD1-CG2 4.48Å; L287-P422 HydrophobicContact CD2-CG 4.17Å
288	A	98.1	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.1	167.3	0	0	0	0	0	110.8	L184 L265 F272 Y273 V361 V362	L184-A288 HydrophobicContact CD2-CB 3.6Å; L265-A288 HydrophobicContact CD1-CB 3.82Å; L265-A288 HydrophobicContact CD2-CB 4.15Å; F272-A288 HydrophobicContact CD2-CB 4.24Å; F272-A288 HydrophobicContact CE2-CB 3.45Å; F272-A288 VanDerWaalsContact CE2-CB 3.45Å; F272-A288 HydrophobicContact CZ-CB 3.82Å; Y273-A288 VanDerWaalsContact O-CA 3.22Å; Y273-A288 WeakPolarHBondContact O-CA 3.5Å; Y273-A288 WeakPolarHBondContact O-CB 3.43Å; A288-V361 WeakPolarHBondContact O-CA 3.44Å; A288-V362 PolarHBondContact N-O 3.4Å; A288-V362 PolarHBondContact O-N 2.8Å
289	A	98.1	Very high	94.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.7	-177.5	0	0	0	0	0	110.4	F272 Y273 L287 V361 I421	F272-A289 WeakPolarHBondContact CD2-O 3.46Å; Y273-A289 WeakPolarHBondContact CD1-O 3.22Å; Y273-A289 HydrophobicContact CE1-CB 4.11Å; Y273-A289 WeakPolarHBondContact CE1-O 3.3Å; Y273-A289 HydrophobicContact CE2-CB 4.3Å; Y273-A289 PolarHBondContact N-O 2.97Å; Y273-A289 PolarHBondContact O-N 3.34Å; L287-A289 HydrophobicContact CD1-CB 4.26Å; A289-V361 HydrophobicContact CB-CG2 4.13Å; A289-I421 HydrophobicContact CB-CD1 4.16Å; A289-I421 HydrophobicContact CB-CG2 4.48Å
290	T	98.6	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.5	-178	50.7	0	0	0	0	111.4	G271 F272 F292 A359 F360	G271-T290 WeakPolarHBondContact O-CA 3.32Å; F272-T290 HydrophobicContact CB-CG2 4.47Å; F272-T290 HydrophobicContact CD2-CG2 3.88Å; F272-T290 HydrophobicContact CG-CG2 4.48Å; T290-F292 HydrophobicContact CG2-CE1 3.71Å; T290-F292 HydrophobicContact CG2-CE2 4.18Å; T290-F292 HydrophobicContact CG2-CZ 3.41Å; T290-F292 VanDerWaalsContact CG2-CZ 3.41Å; T290-A359 VanDerWaalsContact OG1-CA 3.26Å; T290-A359 WeakPolarHBondContact OG1-CA 3.34Å; T290-F360 HydrophobicContact CG2-CD1 4.02Å; T290-F360 HydrophobicContact CG2-CD2 3.71Å; T290-F360 HydrophobicContact CG2-CE1 3.86Å; T290-F360 HydrophobicContact CG2-CE2 3.56Å; T290-F360 HydrophobicContact CG2-CG 3.95Å; T290-F360 HydrophobicContact CG2-CZ 3.63Å; T290-F360 PolarHBondContact N-O 3.41Å; T290-F360 PolarHBondContact OG1-N 2.88Å; T290-F360 PolarHBondContact OG1-O 3.04Å
291	Q	98.1	Very high	95.6	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	109.3	164.8	172	58.9	31.7	0	0	107.2	Y269 G271 Y273 E293 S296 M429	Y269-Q291 WeakPolarHBondContact O-CB 3.33Å; G271-Q291 PolarHBondContact N-O 3.41Å; G271-Q291 PolarHBondContact O-N 3.22Å; Y273-Q291 HydrophobicContact CD1-CB 4.46Å; Y273-Q291 HydrophobicContact CE1-CB 3.84Å; Q291-E293 PolarHBondContact NE2-O 3.34Å; Q291-S296 WeakPolarHBondContact O-CB 3.43Å; Q291-M429 PolarHBondContact NE2-SD 3.41Å; Q291-M429 VanDerWaalsContact OE1-CB 3.27Å; Q291-M429 VanDerWaalsContact OE1-CG 3.23Å
292	F	98.6	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.			trans	-112.4	-18.7	-170.4	-67.8	-14.5	0	0	0	114.7	G271 T290 P294 L295 S296 A297 A300 F301 V358 F360	G271-F292 WeakPolarHBondContact O-CE1 3.31Å; T290-F292 HydrophobicContact CG2-CE1 3.71Å; T290-F292 HydrophobicContact CG2-CE2 4.18Å; T290-F292 HydrophobicContact CG2-CZ 3.41Å; T290-F292 VanDerWaalsContact CG2-CZ 3.41Å; F292-P294 CarbonylContact O-C 3.52Å; F292-P294 VanDerWaalsContact O-C 3.3Å; F292-L295 PolarHBondContact O-N 3.07Å; F292-S296 PolarHBondContact O-N 3.48Å; F292-A297 HydrophobicContact CB-CB 3.94Å; F292-A297 HydrophobicContact CD1-CB 4.45Å; F292-A297 HydrophobicContact CD2-CB 3.65Å; F292-A297 HydrophobicContact CE2-CB 4.29Å; F292-A297 VanDerWaalsContact CG-CA 3.49Å; F292-A297 HydrophobicContact CG-CB 3.78Å; F292-A300 HydrophobicContact CE1-CB 3.48Å; F292-A300 VanDerWaalsContact CE1-CB 3.48Å; F292-A300 HydrophobicContact CE2-CB 4.42Å; F292-A300 HydrophobicContact CZ-CB 3.37Å; F292-F301 HydrophobicContact CD2-CE1 4.44Å; F292-F301 AromaticContact CE2-CE1 3.77Å; F292-F301 HydrophobicContact CE2-CE1 3.77Å; F292-F301 HydrophobicContact CZ-CE1 4.27Å; F292-V358 HydrophobicContact CD2-CB 4.03Å; F292-V358 WeakPolarHBondContact CD2-O 3.08Å; F292-V358 HydrophobicContact CE2-CB 3.91Å; F292-V358 HydrophobicContact CE2-CG1 3.95Å; F292-V358 WeakPolarHBondContact CE2-O 3.3Å; F292-F360 HydrophobicContact CE2-CE1 4.38Å; F292-F360 HydrophobicContact CZ-CE1 4.14Å; F292-F360 HydrophobicContact CZ-CZ 4.23Å
293	E	98.3	Very high	97	Very high	18 Å²	18	23.4 Å²	23.4	8%	0.084	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	137	172.9	-157.5	175.7	-141.6	0	0	110.9	Q291 Y356 M429 W478 F542	Q291-E293 PolarHBondContact NE2-O 3.34Å; E293-Y356 HydrophobicContact CB-CD2 3.81Å; E293-Y356 HydrophobicContact CB-CG 4.48Å; E293-Y356 HydrophobicContact CG-CD2 3.69Å; E293-Y356 HydrophobicContact CG-CE2 4.15Å; E293-Y356 HydrophobicContact CG-CG 4.27Å; E293-Y356 VanDerWaalsContact OE1-CE2 3.29Å; E293-Y356 WeakPolarHBondContact OE1-CE2 3.29Å; E293-M429 HydrophobicContact CB-CE 3.76Å; E293-M429 HydrophobicContact CB-SD 3.48Å; E293-M429 WeakPolarHBondContact CB-SD 3.47Å; E293-M429 HydrophobicContact CG-CE 4.48Å; E293-W478 HydrophobicContact CG-CH2 3.72Å; E293-W478 HydrophobicContact CG-CZ3 3.89Å; E293-W478 VanDerWaalsContact OE1-CZ3 3.3Å; E293-W478 WeakPolarHBondContact OE1-CZ3 3.22Å; E293-F542 HydrophobicContact CG-CE1 4.23Å; E293-F542 HydrophobicContact CG-CZ 3.84Å; E293-F542 WeakPolarHBondContact OE2-CE1 3.31Å
294	P	96.8	Very high	97.5	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.032	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85	-34.5	-5.3	30.5	-32.2	0	0	0	114.8	F292 W478 I538 E539 F542	F292-P294 CarbonylContact O-C 3.52Å; F292-P294 VanDerWaalsContact O-C 3.3Å; P294-W478 HydrophobicContact CB-CD2 4.23Å; P294-W478 HydrophobicContact CB-CE3 4.12Å; P294-W478 HydrophobicContact CB-CH2 3.79Å; P294-W478 HydrophobicContact CB-CZ2 3.83Å; P294-W478 HydrophobicContact CB-CZ3 3.89Å; P294-W478 WeakPolarHBondContact O-CZ2 3.39Å; P294-I538 HydrophobicContact CB-CG2 3.61Å; P294-I538 HydrophobicContact CG-CG2 3.83Å; P294-E539 VanDerWaalsContact CD-OE1 3.32Å; P294-E539 WeakPolarHBondContact CD-OE1 3.41Å; P294-E539 HydrophobicContact CG-CG 4.35Å; P294-F542 HydrophobicContact CB-CE2 3.88Å; P294-F542 HydrophobicContact CB-CZ 4.08Å; P294-F542 HydrophobicContact CG-CE2 4.02Å
295	L	96.8	Very high	97.9	Very high	15 Å²	15	12.7 Å²	12.7	8%	0.079	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	29	-164.7	-55.5	176.7	0	0	0	113.3	F292 R298 D305 P535 I538	F292-L295 PolarHBondContact O-N 3.07Å; L295-R298 WeakPolarHBondContact O-CD 3.49Å; L295-R298 VanDerWaalsContact O-CG 3.23Å; L295-R298 WeakPolarHBondContact O-CG 3.43Å; L295-R298 PolarHBondContact O-NE 3.25Å; L295-D305 VanDerWaalsContact C-OD2 3.31Å; L295-P535 HydrophobicContact CD1-CB 3.86Å; L295-P535 HydrophobicContact CD1-CG 4.08Å; L295-I538 HydrophobicContact CD1-CD1 3.83Å; L295-I538 HydrophobicContact CD1-CG2 4.5Å; L295-I538 HydrophobicContact CD2-CD1 4.43Å; L295-I538 HydrophobicContact CG-CG2 4.49Å
296	S	97.8	Very high	98.1	Very high	5 Å²	5	7.7 Å²	7.7	4%	0.035	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-2.5	-170	-84.7	0	0	0	0	114.7	D270 Q291 F292 R298 K299	D270-S296 PolarHBondContact OD2-OG 3.13Å; Q291-S296 WeakPolarHBondContact O-CB 3.43Å; F292-S296 PolarHBondContact O-N 3.48Å; S296-R298 PolarHBondContact O-N 3.32Å; S296-K299 WeakPolarHBondContact O-CB 3.48Å; S296-K299 PolarHBondContact O-N 3.29Å
297	A	98.8	Very high	98.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-61.4	-36.1	171.1	0	0	0	0	0	111.7	F292 K299 A300 F301 D305	F292-A297 HydrophobicContact CB-CB 3.94Å; F292-A297 HydrophobicContact CD1-CB 4.45Å; F292-A297 HydrophobicContact CD2-CB 3.65Å; F292-A297 HydrophobicContact CE2-CB 4.29Å; F292-A297 VanDerWaalsContact CG-CA 3.49Å; F292-A297 HydrophobicContact CG-CB 3.78Å; A297-K299 PolarHBondContact O-N 3.42Å; A297-K299 VanDerWaalsContact O-N 3.1Å; A297-A300 PolarHBondContact O-N 3.17Å; A297-F301 HydrophobicContact CB-CE1 4.06Å; A297-F301 HydrophobicContact CB-CZ 4.14Å; A297-F301 PolarHBondContact O-N 3.47Å; A297-D305 WeakPolarHBondContact CB-OD1 3.21Å
298	R	98.5	Very high	98.2	Very high	9 Å²	9	7.6 Å²	7.6	3%	0.034	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-57.7	-18.1	172.5	70.6	-170.7	64.3	-168.9	-0.9	115.1	H209 A211 L295 S296 F301 D305	H209-R298 HydrophobicContact CB-CB 3.68Å; H209-R298 PolarHBondContact CD2-NH1 2.87Å; H209-R298 PolarHBondContact CE1-NH2 3.06Å; H209-R298 VanDerWaalsContact CE1-NH2 3.31Å; H209-R298 VanDerWaalsContact CG-CZ 3.45Å; H209-R298 PolarHBondContact ND1-NH2 3.01Å; A211-R298 HydrophobicContact CB-CG 4.09Å; A211-R298 PolarHBondContact N-O 3.21Å; L295-R298 WeakPolarHBondContact O-CD 3.49Å; L295-R298 VanDerWaalsContact O-CG 3.23Å; L295-R298 WeakPolarHBondContact O-CG 3.43Å; L295-R298 PolarHBondContact O-NE 3.25Å; S296-R298 PolarHBondContact O-N 3.32Å; R298-F301 WeakPolarHBondContact CA-O 3.06Å; R298-D305 HydrophobicContact CB-CB 4.2Å; R298-D305 WeakPolarHBondContact CB-OD2 3.11Å; R298-D305 IonicContact CZ-OD2 2.68Å; R298-D305 PolarHBondContact N-OD2 3.13Å; R298-D305 IonicContact NE-OD2 2.81Å; R298-D305 PolarHBondContact NE-OD2 3.05Å; R298-D305 PolarHBondContact NH2-O 2.97Å; R298-D305 IonicContact NH2-OD2 2.61Å
299	K	98.1	Very high	98.3	Very high	49 Å²	49	8.1 Å²	8.1	21%	0.213	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-85.5	-12.3	175.1	-60.9	177.7	176.5	178.1	0	112.9	A211 L213 D270 S296 A297	A211-K299 HydrophobicContact CB-CG 4.09Å; A211-K299 WeakPolarHBondContact O-CA 3.38Å; L213-K299 WeakPolarHBondContact CD2-O 3.38Å; D270-K299 IonicContact OD1-NZ 2.82Å; D270-K299 PolarHBondContact OD1-NZ 2.94Å; D270-K299 IonicContact OD2-NZ 2.95Å; D270-K299 PolarHBondContact OD2-NZ 3.18Å; S296-K299 WeakPolarHBondContact O-CB 3.48Å; S296-K299 PolarHBondContact O-N 3.29Å; A297-K299 PolarHBondContact O-N 3.42Å; A297-K299 VanDerWaalsContact O-N 3.1Å
300	A	98.7	Very high	98.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-40.5	176.1	0	0	0	0	0	112	F189 Y261 F272 F292 A297	F189-A300 WeakPolarHBondContact CE2-O 3.38Å; Y261-A300 VanDerWaalsContact CE2-O 3.29Å; Y261-A300 WeakPolarHBondContact CE2-O 3.27Å; Y261-A300 PolarHBondContact OH-O 3.46Å; F272-A300 HydrophobicContact CB-CB 3.94Å; F292-A300 HydrophobicContact CE1-CB 3.48Å; F292-A300 VanDerWaalsContact CE1-CB 3.48Å; F292-A300 HydrophobicContact CE2-CB 4.42Å; F292-A300 HydrophobicContact CZ-CB 3.37Å; A297-A300 PolarHBondContact O-N 3.17Å
301	F	98.8	Very high	98.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-150.9	149.7	179	59.6	-79.1	0	0	0	111.9	Y176 L178 F180 A193 Y261 F292 A297 R298 C303 F313 V358	Y176-F301 HydrophobicContact CD1-CD2 4.49Å; Y176-F301 HydrophobicContact CD1-CE2 4.24Å; Y176-F301 HydrophobicContact CE1-CE2 4.28Å; L178-F301 HydrophobicContact CD1-CD1 4.21Å; L178-F301 HydrophobicContact CD1-CD2 3.92Å; L178-F301 HydrophobicContact CD1-CE1 4.14Å; L178-F301 HydrophobicContact CD1-CE2 3.82Å; L178-F301 HydrophobicContact CD1-CG 4.13Å; L178-F301 HydrophobicContact CD1-CZ 3.95Å; L178-F301 HydrophobicContact CD2-CB 4.34Å; L178-F301 HydrophobicContact CD2-CD2 3.75Å; L178-F301 HydrophobicContact CD2-CE2 4.3Å; L178-F301 HydrophobicContact CD2-CG 4.13Å; F180-F301 HydrophobicContact CE1-CB 4.12Å; F180-F301 HydrophobicContact CE1-CD1 4.4Å; F180-F301 HydrophobicContact CZ-CB 4.08Å; F180-F301 AromaticContact CZ-CD1 3.85Å; F180-F301 HydrophobicContact CZ-CD1 3.85Å; F180-F301 HydrophobicContact CZ-CG 4.2Å; A193-F301 HydrophobicContact CB-CB 4.47Å; Y261-F301 VanDerWaalsContact OH-CB 3.24Å; Y261-F301 WeakPolarHBondContact OH-CB 3.37Å; F292-F301 HydrophobicContact CD2-CE1 4.44Å; F292-F301 AromaticContact CE2-CE1 3.77Å; F292-F301 HydrophobicContact CE2-CE1 3.77Å; F292-F301 HydrophobicContact CZ-CE1 4.27Å; A297-F301 HydrophobicContact CB-CE1 4.06Å; A297-F301 HydrophobicContact CB-CZ 4.14Å; A297-F301 PolarHBondContact O-N 3.47Å; R298-F301 WeakPolarHBondContact CA-O 3.06Å; F301-C303 HydrophobicContact CD2-CB 3.66Å; F301-C303 HydrophobicContact CE2-CB 3.42Å; F301-C303 VanDerWaalsContact CE2-CB 3.42Å; F301-C303 HydrophobicContact CZ-CB 4.34Å; F301-C303 PolarHBondContact O-N 3.11Å; F301-C303 PolarHBondContact O-SG 2.94Å; F301-F313 HydrophobicContact CE2-CE1 4.31Å; F301-F313 HydrophobicContact CZ-CE1 4.32Å; F301-V358 HydrophobicContact CE1-CB 4.41Å; F301-V358 HydrophobicContact CE1-CG1 4.15Å; F301-V358 HydrophobicContact CZ-CB 4.33Å; F301-V358 HydrophobicContact CZ-CG1 4.33Å; F301-V358 HydrophobicContact CZ-CG2 4.14Å
302	P	98.7	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.			trans	-65.6	125.7	174.8	-19.2	33.3	0	0	0	110.8	I195 L208 H209 A210 L213 I215 I241 F259 Y261	I195-P302 WeakPolarHBondContact CD1-O 3.2Å; L208-P302 HydrophobicContact CD1-CB 3.98Å; H209-P302 WeakPolarHBondContact O-CA 3.12Å; A210-P302 HydrophobicContact CB-CB 4.22Å; A210-P302 HydrophobicContact CB-CG 4.43Å; L213-P302 HydrophobicContact CD1-CG 3.9Å; I215-P302 HydrophobicContact CD1-CG 3.81Å; I241-P302 HydrophobicContact CD1-CB 3.98Å; F259-P302 HydrophobicContact CB-CG 4.17Å; F259-P302 HydrophobicContact CD2-CB 3.9Å; F259-P302 HydrophobicContact CD2-CG 4.07Å; F259-P302 HydrophobicContact CE2-CB 4.03Å; F259-P302 HydrophobicContact CG-CB 4.32Å; F259-P302 HydrophobicContact CG-CG 4.04Å; Y261-P302 HydrophobicContact CD1-CG 4.38Å; Y261-P302 HydrophobicContact CE1-CG 4.38Å
303	C	98.8	Very high	98.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-157.6	166.8	-174.9	62	0	0	0	0	114.6	Y176 H209 F301 D305 T355	Y176-C303 HydrophobicContact CE1-CB 3.68Å; H209-C303 WeakPolarHBondContact CA-O 3.37Å; H209-C303 WeakPolarHBondContact CB-O 3.43Å; H209-C303 PolarHBondContact N-O 2.79Å; H209-C303 PolarHBondContact O-N 3.04Å; F301-C303 HydrophobicContact CD2-CB 3.66Å; F301-C303 HydrophobicContact CE2-CB 3.42Å; F301-C303 VanDerWaalsContact CE2-CB 3.42Å; F301-C303 HydrophobicContact CZ-CB 4.34Å; F301-C303 PolarHBondContact O-N 3.11Å; F301-C303 PolarHBondContact O-SG 2.94Å; C303-D305 PolarHBondContact O-N 3.5Å; C303-T355 HydrophobicContact CB-CG2 4.02Å
304	F	98.8	Very high	98.3	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	5%	0.048	C	C	.	.			trans	-79	72.5	172.1	-69	-97.3	0	0	0	109.6	L167 I171 P173 Y176 I195 M197 I206 V207 L208 E306 F309	L167-F304 HydrophobicContact CD1-CB 4.11Å; L167-F304 HydrophobicContact CD1-CD1 3.86Å; L167-F304 HydrophobicContact CD1-CG 4.35Å; I171-F304 HydrophobicContact CB-CE1 4.16Å; I171-F304 HydrophobicContact CB-CZ 4.24Å; I171-F304 HydrophobicContact CG2-CE1 4.03Å; I171-F304 HydrophobicContact CG2-CE2 4.49Å; I171-F304 HydrophobicContact CG2-CZ 3.65Å; P173-F304 HydrophobicContact CB-CD2 4Å; P173-F304 HydrophobicContact CB-CE2 4.49Å; P173-F304 HydrophobicContact CG-CB 4.1Å; P173-F304 HydrophobicContact CG-CD2 4.06Å; P173-F304 HydrophobicContact CG-CG 4.12Å; Y176-F304 PolarHBondContact OH-N 3.34Å; I195-F304 HydrophobicContact CG2-CE2 4.33Å; M197-F304 HydrophobicContact CG-CE2 4.14Å; M197-F304 HydrophobicContact SD-CE2 3.49Å; M197-F304 WeakPolarHBondContact SD-CE2 3.25Å; M197-F304 HydrophobicContact SD-CZ 3.61Å; I206-F304 HydrophobicContact CG2-CZ 4.01Å; V207-F304 WeakPolarHBondContact O-CE1 3.25Å; L208-F304 HydrophobicContact CB-CD2 4.4Å; L208-F304 HydrophobicContact CB-CE1 4.41Å; L208-F304 HydrophobicContact CB-CE2 4.3Å; L208-F304 HydrophobicContact CB-CZ 4.3Å; F304-E306 PolarHBondContact O-N 3.4Å; F304-F309 HydrophobicContact CB-CB 3.72Å; F304-F309 HydrophobicContact CB-CD1 4.33Å; F304-F309 HydrophobicContact CB-CD2 3.91Å; F304-F309 HydrophobicContact CB-CG 3.76Å; F304-F309 HydrophobicContact CD1-CD1 4.42Å; F304-F309 HydrophobicContact CD1-CE1 4.36Å; F304-F309 HydrophobicContact CD1-CZ 4.45Å; F304-F309 WeakPolarHBondContact O-CB 3.36Å
305	D	98.7	Very high	98.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.048	C	C	.	.			trans	-79	64.8	-166.4	-157.8	24	0	0	0	113.6	H209 L295 A297 R298 C303 T355	H209-D305 HydrophobicContact CB-CB 3.79Å; H209-D305 WeakPolarHBondContact ND1-CB 3.42Å; H209-D305 PolarHBondContact ND1-N 2.92Å; H209-D305 PolarHBondContact ND1-O 3.16Å; L295-D305 VanDerWaalsContact C-OD2 3.31Å; A297-D305 WeakPolarHBondContact CB-OD1 3.21Å; R298-D305 HydrophobicContact CB-CB 4.2Å; R298-D305 WeakPolarHBondContact CB-OD2 3.11Å; R298-D305 IonicContact CZ-OD2 2.68Å; R298-D305 PolarHBondContact N-OD2 3.13Å; R298-D305 IonicContact NE-OD2 2.81Å; R298-D305 PolarHBondContact NE-OD2 3.05Å; R298-D305 PolarHBondContact NH2-O 2.97Å; R298-D305 IonicContact NH2-OD2 2.61Å; C303-D305 PolarHBondContact O-N 3.5Å; D305-T355 WeakPolarHBondContact OD1-CB 3.38Å; D305-T355 PolarHBondContact OD1-OG1 3.24Å
306	E	98.6	Very high	98.5	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.05	C	C	.	.	S	Bend	trans	-136.8	145.5	165.4	-46.1	-175.1	174.1	0	0	109.3	R166 L167 R169 F304 S308 F309 W477	R166-E306 WeakPolarHBondContact CA-OE1 3.13Å; R166-E306 IonicContact CZ-OE1 3.95Å; R166-E306 IonicContact CZ-OE2 3.95Å; R166-E306 VanDerWaalsContact NE-CD 3.27Å; R166-E306 IonicContact NE-OE1 2.71Å; R166-E306 PolarHBondContact NE-OE1 2.89Å; R166-E306 IonicContact NE-OE2 3.87Å; R166-E306 PolarHBondContact NE-OE2 3.23Å; R166-E306 VanDerWaalsContact NE-OE2 3.09Å; R166-E306 IonicContact NH2-OE2 3.91Å; R166-E306 PolarHBondContact NH2-OE2 3.24Å; L167-E306 PolarHBondContact N-OE1 3.4Å; R169-E306 IonicContact CZ-OE2 3.99Å; R169-E306 IonicContact NH1-OE2 3.05Å; R169-E306 IonicContact NH2-OE2 3.02Å; F304-E306 PolarHBondContact O-N 3.4Å; E306-S308 PolarHBondContact O-N 3.2Å; E306-F309 HydrophobicContact CB-CD2 3.78Å; E306-F309 HydrophobicContact CB-CE2 4.14Å; E306-F309 HydrophobicContact CG-CD2 4.05Å; E306-F309 HydrophobicContact CG-CE2 3.99Å; E306-F309 PolarHBondContact O-N 3.42Å; E306-W477 HydrophobicContact CB-CE3 4.24Å; E306-W477 HydrophobicContact CB-CZ3 3.83Å; E306-W477 HydrophobicContact CG-CZ3 3.81Å
307	P	98.3	Very high	98.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.1	-170.9	21.3	-33.9	0	0	0	115	F309 S354 Y356 T474 M475 W477 W478 N582	P307-F309 VanDerWaalsContact C-N 3.34Å; P307-F309 PolarHBondContact O-N 3.48Å; P307-S354 PolarHBondContact O-OG 3.09Å; P307-Y356 HydrophobicContact CB-CD1 4.36Å; P307-Y356 HydrophobicContact CB-CE1 4.17Å; P307-T474 HydrophobicContact CB-CG2 4.04Å; P307-M475 HydrophobicContact CB-CE 4.37Å; P307-M475 HydrophobicContact CB-SD 4.44Å; P307-M475 HydrophobicContact CG-CE 4.34Å; P307-W477 HydrophobicContact CG-CE3 4.41Å; P307-W478 HydrophobicContact CG-CZ2 4.06Å; P307-N582 PolarHBondContact O-ND2 3.02Å
308	S	97.3	Very high	98.6	Very high	29 Å²	29	10.3 Å²	10.3	20%	0.203	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.4	177.4	37.9	0	0	0	0	115.4	R169 E306 K310 S476	R169-S308 PolarHBondContact NH1-OG 3.45Å; R169-S308 VanDerWaalsContact NH1-OG 3.08Å; R169-S308 PolarHBondContact NH2-OG 3.49Å; E306-S308 PolarHBondContact O-N 3.2Å; S308-K310 VanDerWaalsContact C-N 3.27Å; S308-K310 PolarHBondContact O-N 2.89Å; S308-S476 WeakPolarHBondContact CB-O 3.43Å; S308-S476 PolarHBondContact OG-O 2.9Å
309	F	98.4	Very high	98.6	Very high	12 Å²	12	10.5 Å²	10.5	5%	0.053	5%	0.053	C	C	.	.			trans	-91.2	48	176.5	-69.5	-68.6	0	0	0	112.6	L167 R169 P173 F304 E306 P307	L167-F309 HydrophobicContact CB-CE2 3.92Å; L167-F309 HydrophobicContact CB-CZ 4.13Å; L167-F309 HydrophobicContact CD1-CD2 4.47Å; L167-F309 HydrophobicContact CD1-CE2 4.08Å; R169-F309 VanDerWaalsContact NH1-CE2 3.35Å; R169-F309 VanDerWaalsContact NH1-CZ 3.25Å; P173-F309 HydrophobicContact CG-CB 3.9Å; P173-F309 HydrophobicContact CG-CD1 4.37Å; F304-F309 HydrophobicContact CB-CB 3.72Å; F304-F309 HydrophobicContact CB-CD1 4.33Å; F304-F309 HydrophobicContact CB-CD2 3.91Å; F304-F309 HydrophobicContact CB-CG 3.76Å; F304-F309 HydrophobicContact CD1-CD1 4.42Å; F304-F309 HydrophobicContact CD1-CE1 4.36Å; F304-F309 HydrophobicContact CD1-CZ 4.45Å; F304-F309 WeakPolarHBondContact O-CB 3.36Å; E306-F309 HydrophobicContact CB-CD2 3.78Å; E306-F309 HydrophobicContact CB-CE2 4.14Å; E306-F309 HydrophobicContact CG-CD2 4.05Å; E306-F309 HydrophobicContact CG-CE2 3.99Å; E306-F309 PolarHBondContact O-N 3.42Å; P307-F309 VanDerWaalsContact C-N 3.34Å; P307-F309 PolarHBondContact O-N 3.48Å
310	K	98.4	Very high	98.5	Very high	12 Å²	12	11.6 Å²	11.6	5%	0.052	6%	0.058	C	C	.	.			trans	-57.9	138.3	179.6	-66.5	-166.4	170.5	-172.3	0	112.5	S308 N352 M353 S354 N471 L472 T474 S581	S308-K310 VanDerWaalsContact C-N 3.27Å; S308-K310 PolarHBondContact O-N 2.89Å; K310-N352 HydrophobicContact CB-CB 4.01Å; K310-M353 VanDerWaalsContact CA-O 3.23Å; K310-M353 WeakPolarHBondContact CA-O 3.39Å; K310-S354 WeakPolarHBondContact CE-OG 3.43Å; K310-S354 WeakPolarHBondContact CG-OG 3.34Å; K310-N471 PolarHBondContact NZ-O 3.48Å; K310-L472 PolarHBondContact NZ-O 3.46Å; K310-T474 WeakPolarHBondContact CE-OG1 3.48Å; K310-T474 PolarHBondContact NZ-OG1 3.18Å; K310-S581 WeakPolarHBondContact CE-O 3.49Å; K310-S581 PolarHBondContact NZ-O 3.29Å
311	A	98.5	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-148.7	175.3	-179.6	0	0	0	0	0	111.7	P173 Y176 F313 N352 M353	P173-A311 HydrophobicContact CB-CB 4.28Å; P173-A311 HydrophobicContact CG-CB 4.49Å; Y176-A311 HydrophobicContact CD2-CB 3.84Å; Y176-A311 HydrophobicContact CE2-CB 3.65Å; A311-F313 HydrophobicContact CB-CE2 4.38Å; A311-F313 WeakPolarHBondContact O-CD2 3.3Å; A311-F313 WeakPolarHBondContact O-CE2 3.42Å; A311-N352 WeakPolarHBondContact O-CA 3.49Å; A311-M353 PolarHBondContact N-O 3.4Å; A311-M353 PolarHBondContact O-N 2.92Å
312	T	98.6	Very high	98.1	Very high	22 Å²	22	19.2 Å²	19.2	14%	0.135	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148	169.2	52.4	0	0	0	0	112.1	L174 S175 Y176 K348 T349	L174-T312 PolarHBondContact O-N 2.83Å; L174-T312 VanDerWaalsContact O-N 3.15Å; L174-T312 PolarHBondContact O-OG1 3.42Å; L174-T312 VanDerWaalsContact O-OG1 3.1Å; S175-T312 CarbonylContact C-O 3.3Å; S175-T312 WeakPolarHBondContact CA-O 3.48Å; S175-T312 WeakPolarHBondContact CB-OG1 3.49Å; Y176-T312 PolarHBondContact N-O 3.49Å; T312-K348 VanDerWaalsContact CB-CE 3.44Å; T312-K348 WeakPolarHBondContact OG1-CE 3.23Å; T312-K348 PolarHBondContact OG1-NZ 2.9Å; T312-T349 VanDerWaalsContact CA-OG1 3.24Å; T312-T349 WeakPolarHBondContact CA-OG1 3.46Å; T312-T349 WeakPolarHBondContact CG2-O 3Å
313	F	98.9	Very high	98.1	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	-176.5	-63.3	-96.5	0	0	0	111.4	Y176 L178 F301 A311 I315 K348 T349 M353 T355 V358	Y176-F313 HydrophobicContact CD1-CE1 4.42Å; Y176-F313 AromaticContact CD2-CD1 3.76Å; Y176-F313 HydrophobicContact CD2-CD1 3.76Å; Y176-F313 AromaticContact CD2-CE1 3.22Å; Y176-F313 HydrophobicContact CD2-CE1 3.22Å; Y176-F313 HydrophobicContact CD2-CE2 4.41Å; Y176-F313 AromaticContact CD2-CZ 3.61Å; Y176-F313 HydrophobicContact CD2-CZ 3.61Å; Y176-F313 AromaticContact CE2-CE1 3.72Å; Y176-F313 HydrophobicContact CE2-CE1 3.72Å; Y176-F313 AromaticContact CE2-CZ 3.77Å; Y176-F313 HydrophobicContact CE2-CZ 3.77Å; Y176-F313 AromaticContact CG-CD1 3.91Å; Y176-F313 HydrophobicContact CG-CD1 3.91Å; Y176-F313 AromaticContact CG-CE1 3.64Å; Y176-F313 HydrophobicContact CG-CE1 3.64Å; Y176-F313 HydrophobicContact CG-CZ 4.45Å; L178-F313 HydrophobicContact CD1-CD1 4.05Å; F301-F313 HydrophobicContact CE2-CE1 4.31Å; F301-F313 HydrophobicContact CZ-CE1 4.32Å; A311-F313 HydrophobicContact CB-CE2 4.38Å; A311-F313 WeakPolarHBondContact O-CD2 3.3Å; A311-F313 WeakPolarHBondContact O-CE2 3.42Å; F313-I315 HydrophobicContact CB-CD1 4.39Å; F313-I315 HydrophobicContact CB-CG1 4.38Å; F313-K348 CarbonylContact O-C 3.6Å; F313-K348 WeakPolarHBondContact O-CA 3.39Å; F313-K348 WeakPolarHBondContact O-CG 3.42Å; F313-T349 HydrophobicContact CB-CG2 4.12Å; F313-T349 PolarHBondContact N-OG1 2.88Å; F313-T349 PolarHBondContact O-N 3.27Å; F313-M353 HydrophobicContact CB-CE 4.41Å; F313-M353 HydrophobicContact CD2-CE 3.68Å; F313-M353 HydrophobicContact CD2-CG 3.77Å; F313-M353 HydrophobicContact CD2-SD 4.4Å; F313-M353 HydrophobicContact CE2-CE 4.21Å; F313-M353 HydrophobicContact CE2-CG 3.71Å; F313-M353 WeakPolarHBondContact CE2-O 3.24Å; F313-M353 HydrophobicContact CG-CE 4.14Å; F313-T355 HydrophobicContact CZ-CG2 4.34Å; F313-V358 HydrophobicContact CD1-CG2 3.56Å; F313-V358 HydrophobicContact CD2-CG2 4.16Å; F313-V358 HydrophobicContact CE1-CG2 3.41Å; F313-V358 VanDerWaalsContact CE1-CG2 3.41Å; F313-V358 HydrophobicContact CE2-CG2 4.02Å; F313-V358 HydrophobicContact CG-CG2 3.95Å; F313-V358 HydrophobicContact CZ-CG2 3.66Å
314	L	98.9	Very high	98	Very high	29 Å²	29	24 Å²	24	15%	0.152	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.9	164.1	174.1	61.6	0	0	0	107.1	Y176 L178 E345 F346 K348	Y176-L314 PolarHBondContact O-N 3.32Å; L178-L314 PolarHBondContact N-O 2.97Å; L314-E345 HydrophobicContact CD1-CG 4.03Å; L314-F346 VanDerWaalsContact CD1-O 3.24Å; L314-F346 WeakPolarHBondContact CD1-O 3.36Å; L314-K348 HydrophobicContact CB-CB 4.34Å; L314-K348 HydrophobicContact CB-CG 4.25Å; L314-K348 HydrophobicContact CD1-CB 4.3Å
315	I	98.9	Very high	98	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.9	-172.7	-61.8	167.2	0	0	0	109	L178 F313 I317 S327 F346 V358 F360	L178-I315 CarbonylContact O-C 3.48Å; F313-I315 HydrophobicContact CB-CD1 4.39Å; F313-I315 HydrophobicContact CB-CG1 4.38Å; I315-I317 HydrophobicContact CG2-CD1 4.06Å; I315-I317 HydrophobicContact CG2-CG1 4.32Å; I315-S327 VanDerWaalsContact CD1-OG 3.24Å; I315-S327 WeakPolarHBondContact CD1-OG 3.43Å; I315-F346 HydrophobicContact CB-CD2 4.43Å; I315-F346 HydrophobicContact CG2-CD2 4.27Å; I315-F346 WeakPolarHBondContact O-CD2 3.34Å; I315-F346 PolarHBondContact O-N 3.47Å; I315-V358 HydrophobicContact CD1-CG1 3.86Å; I315-F360 HydrophobicContact CG2-CD1 4.45Å
316	K	98.9	Very high	98	Very high	27 Å²	27	24.7 Å²	24.7	12%	0.117	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.1	178	-63.4	167.1	-167.6	140.3	0	109.4	D177 L178 T179 F180 Q343 D344 E345	D177-K316 IonicContact OD1-NZ 2.73Å; D177-K316 PolarHBondContact OD1-NZ 3.06Å; D177-K316 IonicContact OD2-NZ 3.8Å; D177-K316 PolarHBondContact OD2-NZ 3.34Å; L178-K316 PolarHBondContact O-N 3.21Å; T179-K316 CarbonylContact C-O 3.51Å; T179-K316 WeakPolarHBondContact CA-O 3.49Å; T179-K316 HydrophobicContact CG2-CB 4.16Å; F180-K316 PolarHBondContact N-O 2.92Å; K316-Q343 HydrophobicContact CB-CG 4.3Å; K316-D344 CarbonylContact C-O 3.55Å; K316-D344 VanDerWaalsContact CA-O 3.26Å; K316-D344 WeakPolarHBondContact CA-O 3.32Å; K316-E345 VanDerWaalsContact CE-OE2 3.25Å; K316-E345 WeakPolarHBondContact CE-OE2 3.36Å; K316-E345 HydrophobicContact CG-CB 4.15Å; K316-E345 HydrophobicContact CG-CG 3.95Å
317	I	98.9	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	-179.7	-55	-62.7	0	0	0	109.2	F180 I315 R319 Q343 D344 F346 F360 V362	F180-I317 HydrophobicContact CB-CD1 3.94Å; F180-I317 HydrophobicContact CD2-CD1 3.82Å; F180-I317 HydrophobicContact CG-CD1 4.32Å; I315-I317 HydrophobicContact CG2-CD1 4.06Å; I315-I317 HydrophobicContact CG2-CG1 4.32Å; I317-R319 HydrophobicContact CG2-CB 4.44Å; I317-Q343 WeakPolarHBondContact O-CA 3.41Å; I317-D344 PolarHBondContact N-O 3.11Å; I317-D344 PolarHBondContact O-N 2.94Å; I317-F346 HydrophobicContact CG1-CE2 3.89Å; I317-F360 HydrophobicContact CD1-CB 4.13Å; I317-F360 HydrophobicContact CD1-CD2 3.93Å; I317-F360 HydrophobicContact CD1-CE2 4.5Å; I317-F360 HydrophobicContact CD1-CG 3.97Å; I317-V362 HydrophobicContact CG2-CG2 3.62Å
318	N	98.7	Very high	98	Very high	17 Å²	17	24.7 Å²	24.7	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107	172.8	-60.7	-26.5	0	0	0	108.6	F180 T181 L337 L341 E342 Q343	F180-N318 PolarHBondContact O-N 3.02Å; T181-N318 HydrophobicContact CG2-CB 3.8Å; T181-N318 PolarHBondContact OG1-ND2 3.21Å; N318-L337 HydrophobicContact CB-CD1 4.34Å; N318-L341 HydrophobicContact CB-CD1 4.27Å; N318-E342 CarbonylContact C-O 3.53Å; N318-E342 WeakPolarHBondContact CA-O 3.46Å; N318-Q343 WeakPolarHBondContact OD1-CB 3.38Å; N318-Q343 WeakPolarHBondContact OD1-CG 3.4Å; N318-Q343 PolarHBondContact OD1-NE2 2.69Å
319	R	97.9	Very high	98.1	Very high	12 Å²	12	23.8 Å²	23.8	5%	0.045	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	163.7	-175.8	56.7	165	-179.9	66.8	25.4	111.9	I317 Y323 M324 L341 E342 D344 V362	I317-R319 HydrophobicContact CG2-CB 4.44Å; R319-Y323 VanDerWaalsContact CD-O 3.23Å; R319-Y323 WeakPolarHBondContact CD-O 3.46Å; R319-Y323 VanDerWaalsContact CZ-O 3.28Å; R319-Y323 PolarHBondContact NE-O 3.29Å; R319-Y323 PolarHBondContact NH1-O 3.08Å; R319-M324 VanDerWaalsContact CD-C 3.49Å; R319-L341 CarbonylContact O-C 3.49Å; R319-L341 WeakPolarHBondContact O-CA 3.33Å; R319-L341 WeakPolarHBondContact O-CB 3.41Å; R319-E342 IonicContact CZ-OE2 2.99Å; R319-E342 PolarHBondContact N-O 3.04Å; R319-E342 IonicContact NH1-OE2 3.89Å; R319-E342 PolarHBondContact NH1-OE2 3.09Å; R319-E342 IonicContact NH2-OE2 3.93Å; R319-E342 PolarHBondContact NH2-OE2 3.25Å; R319-E342 PolarHBondContact O-N 3.41Å; R319-D344 IonicContact CZ-OD1 2.68Å; R319-D344 IonicContact CZ-OD2 2.89Å; R319-D344 IonicContact NE-OD1 3.36Å; R319-D344 IonicContact NE-OD2 2.64Å; R319-D344 PolarHBondContact NE-OD2 3.49Å; R319-D344 VanDerWaalsContact NH2-CG 3.32Å; R319-D344 IonicContact NH2-OD1 3.73Å; R319-D344 PolarHBondContact NH2-OD1 3.13Å; R319-D344 IonicContact NH2-OD2 3.37Å; R319-D344 PolarHBondContact NH2-OD2 3.39Å; R319-D344 VanDerWaalsContact NH2-OD2 3.16Å; R319-V362 HydrophobicContact CB-CG1 4.18Å
320	K	97	Very high	98.1	Very high	73 Å²	73	24.5 Å²	24.5	32%	0.317	13%	0.133	S	C	.	.			trans	-70	148.3	166.9	-58.2	176.1	177.8	179.5	0	109.6	D185 S322 Y323 L341	D185-K320 IonicContact OD1-NZ 3.68Å; D185-K320 PolarHBondContact OD1-NZ 3.29Å; D185-K320 IonicContact OD2-NZ 2.73Å; D185-K320 PolarHBondContact OD2-NZ 3.34Å; K320-S322 PolarHBondContact O-N 3.5Å; K320-Y323 HydrophobicContact CB-CD2 4.16Å; K320-Y323 HydrophobicContact CD-CE2 4.43Å; K320-Y323 PolarHBondContact O-N 3Å; K320-Y323 VanDerWaalsContact O-N 3.1Å; K320-L341 HydrophobicContact CG-CD2 3.91Å
321	P	96.1	Very high	98.1	Very high	77 Å²	77	28.5 Å²	28.5	50%	0.5	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.1	179.3	-25.9	32.9	0	0	0	115.2	Y323 E342	P321-Y323 VanDerWaalsContact C-N 3.3Å; P321-Y323 PolarHBondContact O-N 2.82Å; P321-E342 HydrophobicContact CG-CG 4.19Å
322	S	93.8	Very high	98	Very high	82 Å²	82	31.1 Å²	31.1	57%	0.573	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.3	-179.8	60.1	0	0	0	0	115.2	K320	K320-S322 PolarHBondContact O-N 3.5Å
323	Y	96.9	Very high	98	Very high	44 Å²	44	36.3 Å²	36.3	17%	0.173	19%	0.19	C	C	.	.	S	Bend	trans	-105.3	158.6	174.5	-68.6	-80.2	0	0	0	109.7	L184 V286 R319 K320 P321 V362	L184-Y323 HydrophobicContact CD1-CD1 3.96Å; L184-Y323 HydrophobicContact CD1-CD2 4.35Å; L184-Y323 HydrophobicContact CD1-CE1 3.63Å; L184-Y323 HydrophobicContact CD1-CE2 4.04Å; L184-Y323 HydrophobicContact CD1-CG 4.32Å; V286-Y323 WeakPolarHBondContact O-CE1 3.3Å; R319-Y323 VanDerWaalsContact CD-O 3.23Å; R319-Y323 WeakPolarHBondContact CD-O 3.46Å; R319-Y323 VanDerWaalsContact CZ-O 3.28Å; R319-Y323 PolarHBondContact NE-O 3.29Å; R319-Y323 PolarHBondContact NH1-O 3.08Å; K320-Y323 HydrophobicContact CB-CD2 4.16Å; K320-Y323 HydrophobicContact CD-CE2 4.43Å; K320-Y323 PolarHBondContact O-N 3Å; K320-Y323 VanDerWaalsContact O-N 3.1Å; P321-Y323 VanDerWaalsContact C-N 3.3Å; P321-Y323 PolarHBondContact O-N 2.82Å; Y323-V362 HydrophobicContact CG-CG1 4.3Å
324	M	97.3	Very high	98	Very high	58 Å²	58	38.8 Å²	38.8	29%	0.286	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	167	161.4	78.7	-162.9	-50.8	0	0	110.1	R319 L326 V362 A363 F365 Y380	R319-M324 VanDerWaalsContact CD-C 3.49Å; M324-L326 HydrophobicContact CE-CD2 4.32Å; M324-V362 WeakPolarHBondContact O-CA 3.47Å; M324-A363 PolarHBondContact N-O 3.29Å; M324-A363 PolarHBondContact O-N 2.81Å; M324-F365 HydrophobicContact SD-CB 3.95Å; M324-F365 VanDerWaalsContact SD-O 3.34Å; M324-Y380 HydrophobicContact CE-CD1 4.48Å; M324-Y380 HydrophobicContact CE-CE1 3.86Å; M324-Y380 HydrophobicContact SD-CE1 4.47Å
325	S	98.6	Very high	98	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.1	163.4	74.1	0	0	0	0	111.5	D344 F346 V361	S325-D344 VanDerWaalsContact OG-CB 3.27Å; S325-D344 WeakPolarHBondContact OG-CB 3.34Å; S325-D344 PolarHBondContact OG-OD2 3.36Å; S325-F346 WeakPolarHBondContact OG-CZ 3.36Å; S325-V361 CarbonylContact C-O 3.57Å; S325-V361 VanDerWaalsContact CA-O 3.24Å; S325-V361 WeakPolarHBondContact CA-O 3.2Å
326	L	98.8	Very high	97.9	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152	172.8	-55.7	175.5	0	0	0	108.7	M324 F360 V361 Y380 V419 L434	M324-L326 HydrophobicContact CE-CD2 4.32Å; L326-F360 CarbonylContact O-C 3.48Å; L326-F360 WeakPolarHBondContact O-CA 3.48Å; L326-F360 WeakPolarHBondContact O-CB 3.49Å; L326-V361 HydrophobicContact CB-CB 4.45Å; L326-V361 PolarHBondContact N-O 2.86Å; L326-V361 PolarHBondContact O-N 3.28Å; L326-Y380 HydrophobicContact CD1-CD1 3.7Å; L326-Y380 HydrophobicContact CD1-CD2 4.05Å; L326-Y380 HydrophobicContact CD1-CE1 3.87Å; L326-Y380 HydrophobicContact CD1-CE2 4.19Å; L326-Y380 HydrophobicContact CD1-CG 3.8Å; L326-Y380 HydrophobicContact CD2-CD1 4.36Å; L326-Y380 HydrophobicContact CD2-CE1 3.66Å; L326-Y380 HydrophobicContact CD2-CE2 4.31Å; L326-Y380 HydrophobicContact CG-CE1 4.37Å; L326-V419 HydrophobicContact CD1-CG2 4.05Å; L326-L434 HydrophobicContact CB-CD1 3.77Å; L326-L434 HydrophobicContact CB-CD2 4.05Å; L326-L434 HydrophobicContact CD1-CD1 4.11Å
327	S	98.8	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-179.1	170.8	-168.3	0	0	0	0	110.2	I315 M329 A359 K415	I315-S327 VanDerWaalsContact CD1-OG 3.24Å; I315-S327 WeakPolarHBondContact CD1-OG 3.43Å; S327-M329 VanDerWaalsContact C-N 3.27Å; S327-M329 PolarHBondContact O-N 3.4Å; S327-A359 VanDerWaalsContact CA-O 3.25Å; S327-A359 WeakPolarHBondContact CA-O 3.45Å; S327-A359 WeakPolarHBondContact CB-O 3.46Å; S327-A359 PolarHBondContact OG-O 3.02Å; S327-K415 PolarHBondContact O-NZ 3.13Å
328	N	98.8	Very high	97.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.299	C	S	.	.	S	Bend	trans	-50.1	-43.5	-178.4	-63.9	102.1	0	0	0	113.9	M353 L357 V358 A359 K415 W432	N328-M353 HydrophobicContact CB-CE 4.3Å; N328-L357 PolarHBondContact ND2-O 3.45Å; N328-V358 WeakPolarHBondContact OD1-CA 3.48Å; N328-A359 PolarHBondContact N-O 2.92Å; N328-A359 PolarHBondContact OD1-N 2.93Å; N328-A359 PolarHBondContact OD1-O 3.26Å; N328-K415 WeakPolarHBondContact O-CE 3.48Å; N328-K415 PolarHBondContact O-NZ 3.45Å; N328-W432 WeakPolarHBondContact CA-O 3.36Å; N328-W432 VanDerWaalsContact CB-O 3.24Å; N328-W432 WeakPolarHBondContact CB-O 3.33Å; N328-W432 PolarHBondContact ND2-O 3.4Å
329	M	98.7	Very high	97.2	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.044	32%	0.321	C	S	.	.	S	Bend	trans	-101	164.7	-173.6	-64.1	-61.5	-67	0	0	112	S327 F346 E347 T349 L413 K415	S327-M329 VanDerWaalsContact C-N 3.27Å; S327-M329 PolarHBondContact O-N 3.4Å; M329-F346 HydrophobicContact CB-CB 4.49Å; M329-F346 VanDerWaalsContact O-CD1 3.28Å; M329-F346 WeakPolarHBondContact O-CD1 3.45Å; M329-E347 HydrophobicContact CB-CB 4.15Å; M329-E347 WeakPolarHBondContact CB-O 3.06Å; M329-E347 HydrophobicContact CE-CB 4.3Å; M329-E347 VanDerWaalsContact CG-O 3.24Å; M329-E347 WeakPolarHBondContact CG-O 3.4Å; M329-T349 HydrophobicContact CG-CG2 3.71Å; M329-T349 HydrophobicContact SD-CG2 4.07Å; M329-L413 HydrophobicContact CE-CD2 4.41Å; M329-L413 HydrophobicContact SD-CD1 4.11Å; M329-L413 HydrophobicContact SD-CD2 3.87Å; M329-L413 HydrophobicContact SD-CG 4.49Å; M329-K415 WeakPolarHBondContact O-CE 3.47Å
330	P	98.3	Very high	97.1	Very high	27 Å²	27	57.6 Å²	57.6	18%	0.175	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-58.5	150.6	170.1	-20.9	31.9	0	0	0	112.1	A332 F346 E347 K414 K415	P330-A332 PolarHBondContact O-N 3.4Å; P330-F346 WeakPolarHBondContact O-CA 3.38Å; P330-E347 HydrophobicContact CB-CG 4.5Å; P330-E347 PolarHBondContact O-N 2.88Å; P330-K414 HydrophobicContact CG-CB 4.04Å; P330-K414 HydrophobicContact CG-CD 4.25Å; P330-K415 HydrophobicContact CG-CG 3.85Å
331	K	98.3	Very high	97.1	Very high	97 Å²	97	56.1 Å²	56.1	42%	0.422	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.3	172.5	-178.4	162.9	63.3	167.2	0	110.3	T334 D344 F346	K331-T334 WeakPolarHBondContact CD-OG1 3.4Å; K331-T334 WeakPolarHBondContact CE-OG1 3.47Å; K331-T334 PolarHBondContact NZ-OG1 3.07Å; K331-D344 HydrophobicContact CD-CB 3.7Å; K331-D344 VanDerWaalsContact CD-OD1 3.31Å; K331-D344 WeakPolarHBondContact CD-OD1 3.38Å; K331-D344 IonicContact NZ-OD1 2.79Å; K331-D344 PolarHBondContact NZ-OD1 3.47Å; K331-D344 IonicContact NZ-OD2 3.33Å; K331-D344 PolarHBondContact NZ-OD2 2.99Å; K331-F346 HydrophobicContact CB-CD1 4.1Å; K331-F346 HydrophobicContact CB-CE1 4.03Å
332	A	98.1	Very high	97.2	Very high	55 Å²	55	54.9 Å²	54.9	46%	0.455	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-40.9	-179.3	0	0	0	0	0	112.4	P330 E345 E347	P330-A332 PolarHBondContact O-N 3.4Å; A332-E345 WeakPolarHBondContact CA-O 3.42Å; A332-E345 WeakPolarHBondContact CB-O 3.43Å; A332-E345 PolarHBondContact N-O 3.01Å; A332-E347 HydrophobicContact CB-CG 3.94Å
333	R	98	Very high	97.4	Very high	131 Å²	131	52.9 Å²	52.9	49%	0.494	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.2	173.9	58.8	173.5	175.5	-97.6	-6	112.4	E345	R333-E345 HydrophobicContact CG-CB 4.04Å; R333-E345 IonicContact CZ-OE1 3.19Å; R333-E345 IonicContact CZ-OE2 3.78Å; R333-E345 PolarHBondContact N-O 3.46Å; R333-E345 IonicContact NE-OE1 3.95Å; R333-E345 IonicContact NE-OE2 3.88Å; R333-E345 IonicContact NH1-OE1 3.51Å; R333-E345 IonicContact NH2-OE1 2.64Å; R333-E345 PolarHBondContact NH2-OE1 2.95Å; R333-E345 IonicContact NH2-OE2 3.49Å; R333-E345 PolarHBondContact NH2-OE2 3.25Å; R333-E345 PolarHBondContact O-N 2.96Å
334	T	98.6	Very high	97.5	Very high	52 Å²	52	50.8 Å²	50.8	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.8	162.7	-60.2	0	0	0	0	108.3	K331 E342 Q343 D344	K331-T334 WeakPolarHBondContact CD-OG1 3.4Å; K331-T334 WeakPolarHBondContact CE-OG1 3.47Å; K331-T334 PolarHBondContact NZ-OG1 3.07Å; T334-E342 HydrophobicContact CG2-CB 3.86Å; T334-E342 HydrophobicContact CG2-CG 4.16Å; T334-Q343 CarbonylContact C-O 3.52Å; T334-Q343 VanDerWaalsContact CA-O 3.31Å; T334-Q343 WeakPolarHBondContact CA-O 3.27Å; T334-D344 WeakPolarHBondContact CB-OD1 3.4Å; T334-D344 WeakPolarHBondContact CG2-OD1 3.43Å; T334-D344 PolarHBondContact OG1-OD1 3.4Å
335	T	98.3	Very high	97.6	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.9	-179.6	-60.1	0	0	0	0	110.3	Q343	T335-Q343 PolarHBondContact N-O 3.05Å; T335-Q343 PolarHBondContact O-N 3.29Å
336	P	97.7	Very high	97.6	Very high	101 Å²	101	49.3 Å²	49.3	66%	0.656	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.6	173.5	-22.2	33.9	0	0	0	111.7
337	L	96.5	Very high	97.6	Very high	53 Å²	53	51.7 Å²	51.7	28%	0.277	30%	0.304	S	S	.	.			trans	-102.8	153.2	176	-57.6	-176.8	0	0	0	110.8	N318 S339 G340 L341 Q343	N318-L337 HydrophobicContact CB-CD1 4.34Å; L337-S339 PolarHBondContact O-N 2.88Å; L337-G340 PolarHBondContact O-N 3.36Å; L337-L341 WeakPolarHBondContact CB-O 3.34Å; L337-L341 HydrophobicContact CD1-CB 4.33Å; L337-L341 PolarHBondContact N-O 2.86Å; L337-Q343 HydrophobicContact CD1-CB 4.19Å; L337-Q343 HydrophobicContact CD2-CB 4.05Å; L337-Q343 HydrophobicContact CG-CB 4.17Å
338	S	93.4	Very high	97.6	Very high	142 Å²	142	56.4 Å²	56.4	99%	0.993	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.3	176	52.5	0	0	0	0	114.2	G340	S338-G340 VanDerWaalsContact C-N 3.3Å
339	S	91.8	Very high	97.5	Very high	80 Å²	80	56.7 Å²	56.7	56%	0.559	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.4	172.7	55.3	0	0	0	0	114.5	L337 L341	L337-S339 PolarHBondContact O-N 2.88Å; S339-L341 VanDerWaalsContact C-N 3.29Å
340	G	94.8	Very high	97.2	Very high	53 Å²	53	61.4 Å²	61.4	55%	0.546	35%	0.352	S	S	.	.	S	Bend	trans	80.9	4.8	-172.8	0	0	0	0	0	114.5	L337 S338	L337-G340 PolarHBondContact O-N 3.36Å; S338-G340 VanDerWaalsContact C-N 3.3Å
341	L	97.6	Very high	96.9	Very high	42 Å²	42	61.3 Å²	61.3	22%	0.22	35%	0.351	C	S	.	.			trans	-87.9	161.7	169.5	-59	-178.4	0	0	0	111	T181 N318 R319 K320 L337 S339	T181-L341 HydrophobicContact CG2-CD1 3.75Å; N318-L341 HydrophobicContact CB-CD1 4.27Å; R319-L341 CarbonylContact O-C 3.49Å; R319-L341 WeakPolarHBondContact O-CA 3.33Å; R319-L341 WeakPolarHBondContact O-CB 3.41Å; K320-L341 HydrophobicContact CG-CD2 3.91Å; L337-L341 WeakPolarHBondContact CB-O 3.34Å; L337-L341 HydrophobicContact CD1-CB 4.33Å; L337-L341 PolarHBondContact N-O 2.86Å; S339-L341 VanDerWaalsContact C-N 3.29Å
342	E	98.3	Very high	96.9	Very high	51 Å²	51	60 Å²	60	24%	0.238	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.5	167.2	-70.1	-176.8	164.8	0	0	109.9	N318 R319 P321 T334	N318-E342 CarbonylContact C-O 3.53Å; N318-E342 WeakPolarHBondContact CA-O 3.46Å; R319-E342 IonicContact CZ-OE2 2.99Å; R319-E342 PolarHBondContact N-O 3.04Å; R319-E342 IonicContact NH1-OE2 3.89Å; R319-E342 PolarHBondContact NH1-OE2 3.09Å; R319-E342 IonicContact NH2-OE2 3.93Å; R319-E342 PolarHBondContact NH2-OE2 3.25Å; R319-E342 PolarHBondContact O-N 3.41Å; P321-E342 HydrophobicContact CG-CG 4.19Å; T334-E342 HydrophobicContact CG2-CB 3.86Å; T334-E342 HydrophobicContact CG2-CG 4.16Å
343	Q	98.6	Very high	96.9	Very high	39 Å²	39	57.5 Å²	57.5	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.9	167.9	-178.8	166.2	104.6	0	0	109.7	K316 I317 N318 T334 T335 L337	K316-Q343 HydrophobicContact CB-CG 4.3Å; I317-Q343 WeakPolarHBondContact O-CA 3.41Å; N318-Q343 WeakPolarHBondContact OD1-CB 3.38Å; N318-Q343 WeakPolarHBondContact OD1-CG 3.4Å; N318-Q343 PolarHBondContact OD1-NE2 2.69Å; T334-Q343 CarbonylContact C-O 3.52Å; T334-Q343 VanDerWaalsContact CA-O 3.31Å; T334-Q343 WeakPolarHBondContact CA-O 3.27Å; T335-Q343 PolarHBondContact N-O 3.05Å; T335-Q343 PolarHBondContact O-N 3.29Å; L337-Q343 HydrophobicContact CD1-CB 4.19Å; L337-Q343 HydrophobicContact CD2-CB 4.05Å; L337-Q343 HydrophobicContact CG-CB 4.17Å
344	D	98.8	Very high	96.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.1	163.1	-74.2	-19	0	0	0	108.7	K316 I317 R319 S325 K331 T334 F346	K316-D344 CarbonylContact C-O 3.55Å; K316-D344 VanDerWaalsContact CA-O 3.26Å; K316-D344 WeakPolarHBondContact CA-O 3.32Å; I317-D344 PolarHBondContact N-O 3.11Å; I317-D344 PolarHBondContact O-N 2.94Å; R319-D344 IonicContact CZ-OD1 2.68Å; R319-D344 IonicContact CZ-OD2 2.89Å; R319-D344 IonicContact NE-OD1 3.36Å; R319-D344 IonicContact NE-OD2 2.64Å; R319-D344 PolarHBondContact NE-OD2 3.49Å; R319-D344 VanDerWaalsContact NH2-CG 3.32Å; R319-D344 IonicContact NH2-OD1 3.73Å; R319-D344 PolarHBondContact NH2-OD1 3.13Å; R319-D344 IonicContact NH2-OD2 3.37Å; R319-D344 PolarHBondContact NH2-OD2 3.39Å; R319-D344 VanDerWaalsContact NH2-OD2 3.16Å; S325-D344 VanDerWaalsContact OG-CB 3.27Å; S325-D344 WeakPolarHBondContact OG-CB 3.34Å; S325-D344 PolarHBondContact OG-OD2 3.36Å; K331-D344 HydrophobicContact CD-CB 3.7Å; K331-D344 VanDerWaalsContact CD-OD1 3.31Å; K331-D344 WeakPolarHBondContact CD-OD1 3.38Å; K331-D344 IonicContact NZ-OD1 2.79Å; K331-D344 PolarHBondContact NZ-OD1 3.47Å; K331-D344 IonicContact NZ-OD2 3.33Å; K331-D344 PolarHBondContact NZ-OD2 2.99Å; T334-D344 WeakPolarHBondContact CB-OD1 3.4Å; T334-D344 WeakPolarHBondContact CG2-OD1 3.43Å; T334-D344 PolarHBondContact OG1-OD1 3.4Å; D344-F346 HydrophobicContact CB-CE2 4.24Å; D344-F346 HydrophobicContact CB-CZ 4.46Å
345	E	98.8	Very high	96.9	Very high	27 Å²	27	48.9 Å²	48.9	13%	0.126	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.5	169.8	-178.6	172.9	123.9	0	0	108.9	L314 K316 A332 R333	L314-E345 HydrophobicContact CD1-CG 4.03Å; K316-E345 VanDerWaalsContact CE-OE2 3.25Å; K316-E345 WeakPolarHBondContact CE-OE2 3.36Å; K316-E345 HydrophobicContact CG-CB 4.15Å; K316-E345 HydrophobicContact CG-CG 3.95Å; A332-E345 WeakPolarHBondContact CA-O 3.42Å; A332-E345 WeakPolarHBondContact CB-O 3.43Å; A332-E345 PolarHBondContact N-O 3.01Å; R333-E345 HydrophobicContact CG-CB 4.04Å; R333-E345 IonicContact CZ-OE1 3.19Å; R333-E345 IonicContact CZ-OE2 3.78Å; R333-E345 PolarHBondContact N-O 3.46Å; R333-E345 IonicContact NE-OE1 3.95Å; R333-E345 IonicContact NE-OE2 3.88Å; R333-E345 IonicContact NH1-OE1 3.51Å; R333-E345 IonicContact NH2-OE1 2.64Å; R333-E345 PolarHBondContact NH2-OE1 2.95Å; R333-E345 IonicContact NH2-OE2 3.49Å; R333-E345 PolarHBondContact NH2-OE2 3.25Å; R333-E345 PolarHBondContact O-N 2.96Å
346	F	98.8	Very high	96.9	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	154.2	176.3	-64.8	-85.1	0	0	0	111	L314 I315 I317 S325 M329 P330 K331 D344 K348	L314-F346 VanDerWaalsContact CD1-O 3.24Å; L314-F346 WeakPolarHBondContact CD1-O 3.36Å; I315-F346 HydrophobicContact CB-CD2 4.43Å; I315-F346 HydrophobicContact CG2-CD2 4.27Å; I315-F346 WeakPolarHBondContact O-CD2 3.34Å; I315-F346 PolarHBondContact O-N 3.47Å; I317-F346 HydrophobicContact CG1-CE2 3.89Å; S325-F346 WeakPolarHBondContact OG-CZ 3.36Å; M329-F346 HydrophobicContact CB-CB 4.49Å; M329-F346 VanDerWaalsContact O-CD1 3.28Å; M329-F346 WeakPolarHBondContact O-CD1 3.45Å; P330-F346 WeakPolarHBondContact O-CA 3.38Å; K331-F346 HydrophobicContact CB-CD1 4.1Å; K331-F346 HydrophobicContact CB-CE1 4.03Å; D344-F346 HydrophobicContact CB-CE2 4.24Å; D344-F346 HydrophobicContact CB-CZ 4.46Å; F346-K348 PolarHBondContact O-N 3.01Å
347	E	98.6	Very high	97	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.2	140.4	171.3	-68	-172.7	178.9	0	0	109.7	M329 P330 A332 K414	M329-E347 HydrophobicContact CB-CB 4.15Å; M329-E347 WeakPolarHBondContact CB-O 3.06Å; M329-E347 HydrophobicContact CE-CB 4.3Å; M329-E347 VanDerWaalsContact CG-O 3.24Å; M329-E347 WeakPolarHBondContact CG-O 3.4Å; P330-E347 HydrophobicContact CB-CG 4.5Å; P330-E347 PolarHBondContact O-N 2.88Å; A332-E347 HydrophobicContact CB-CG 3.94Å; E347-K414 IonicContact OE1-NZ 2.73Å; E347-K414 PolarHBondContact OE1-NZ 3.46Å; E347-K414 IonicContact OE2-NZ 3.97Å; E347-K414 PolarHBondContact OE2-NZ 3.42Å
348	K	98.3	Very high	97.1	Very high	100 Å²	100	38.9 Å²	38.9	44%	0.435	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.1	137.4	172.8	-176.1	176.2	176.5	179.6	0	109.4	T312 F313 L314 F346 N350	T312-K348 VanDerWaalsContact CB-CE 3.44Å; T312-K348 WeakPolarHBondContact OG1-CE 3.23Å; T312-K348 PolarHBondContact OG1-NZ 2.9Å; F313-K348 CarbonylContact O-C 3.6Å; F313-K348 WeakPolarHBondContact O-CA 3.39Å; F313-K348 WeakPolarHBondContact O-CG 3.42Å; L314-K348 HydrophobicContact CB-CB 4.34Å; L314-K348 HydrophobicContact CB-CG 4.25Å; L314-K348 HydrophobicContact CD1-CB 4.3Å; F346-K348 PolarHBondContact O-N 3.01Å; K348-N350 PolarHBondContact O-N 3.03Å
349	T	97	Very high	97.3	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.043	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-56.1	128.8	177.1	69.6	0	0	0	0	110.6	T312 F313 M329 V351 M353	T312-T349 VanDerWaalsContact CA-OG1 3.24Å; T312-T349 WeakPolarHBondContact CA-OG1 3.46Å; T312-T349 WeakPolarHBondContact CG2-O 3Å; F313-T349 HydrophobicContact CB-CG2 4.12Å; F313-T349 PolarHBondContact N-OG1 2.88Å; F313-T349 PolarHBondContact O-N 3.27Å; M329-T349 HydrophobicContact CG-CG2 3.71Å; M329-T349 HydrophobicContact SD-CG2 4.07Å; T349-V351 VanDerWaalsContact C-N 3.3Å; T349-V351 WeakPolarHBondContact CB-O 3.05Å; T349-V351 PolarHBondContact OG1-O 3.4Å; T349-M353 HydrophobicContact CG2-CE 4.12Å; T349-M353 HydrophobicContact CG2-SD 4.02Å
350	N	92.2	Very high	97.7	Very high	108 Å²	108	28.3 Å²	28.3	58%	0.578	15%	0.154	S	C	*	.	S	Bend	trans	-78.9	-17.3	174.6	61	-19.3	0	0	0	112.2	K348 P412 L413	K348-N350 PolarHBondContact O-N 3.03Å; N350-P412 PolarHBondContact ND2-O 3.42Å; N350-L413 VanDerWaalsContact OD1-CD2 3.28Å; N350-L413 WeakPolarHBondContact OD1-CD2 3.25Å
351	V	93.4	Very high	97.9	Very high	25 Å²	25	25.8 Å²	25.8	15%	0.152	13%	0.128	C	C	.	.	S	Bend	trans	-111.3	154.5	176.8	-65.8	0	0	0	0	111.4	T349 P412 L413 W432	T349-V351 VanDerWaalsContact C-N 3.3Å; T349-V351 WeakPolarHBondContact CB-O 3.05Å; T349-V351 PolarHBondContact OG1-O 3.4Å; V351-P412 HydrophobicContact CG1-CB 4.08Å; V351-P412 HydrophobicContact CG1-CG 4.29Å; V351-L413 HydrophobicContact CG2-CD2 3.97Å; V351-W432 HydrophobicContact CB-CH2 4.05Å; V351-W432 HydrophobicContact CB-CZ3 4.17Å; V351-W432 HydrophobicContact CG1-CH2 4.42Å; V351-W432 HydrophobicContact CG2-CD2 4.35Å; V351-W432 HydrophobicContact CG2-CE3 3.92Å; V351-W432 HydrophobicContact CG2-CH2 3.69Å; V351-W432 HydrophobicContact CG2-CZ2 4.16Å; V351-W432 HydrophobicContact CG2-CZ3 3.56Å
352	N	96.4	Very high	97.9	Very high	70 Å²	70	24 Å²	24	37%	0.374	12%	0.118	S	C	.	.			trans	-80.1	131	167.5	-69.9	-33	0	0	0	109.3	K310 A311	K310-N352 HydrophobicContact CB-CB 4.01Å; A311-N352 WeakPolarHBondContact O-CA 3.49Å
353	M	98.1	Very high	97.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-136	163	177	74	-169.1	-161.5	0	0	111.6	K310 A311 F313 N328 T349 L357 V358 W432	K310-M353 VanDerWaalsContact CA-O 3.23Å; K310-M353 WeakPolarHBondContact CA-O 3.39Å; A311-M353 PolarHBondContact N-O 3.4Å; A311-M353 PolarHBondContact O-N 2.92Å; F313-M353 HydrophobicContact CB-CE 4.41Å; F313-M353 HydrophobicContact CD2-CE 3.68Å; F313-M353 HydrophobicContact CD2-CG 3.77Å; F313-M353 HydrophobicContact CD2-SD 4.4Å; F313-M353 HydrophobicContact CE2-CE 4.21Å; F313-M353 HydrophobicContact CE2-CG 3.71Å; F313-M353 WeakPolarHBondContact CE2-O 3.24Å; F313-M353 HydrophobicContact CG-CE 4.14Å; N328-M353 HydrophobicContact CB-CE 4.3Å; T349-M353 HydrophobicContact CG2-CE 4.12Å; T349-M353 HydrophobicContact CG2-SD 4.02Å; M353-L357 HydrophobicContact CB-CD1 4.43Å; M353-V358 HydrophobicContact CE-CB 4.4Å; M353-V358 HydrophobicContact CE-CG2 3.76Å; M353-W432 HydrophobicContact CB-CE3 3.6Å; M353-W432 HydrophobicContact CB-CZ3 3.88Å; M353-W432 HydrophobicContact SD-CB 4.35Å; M353-W432 HydrophobicContact SD-CE3 4.36Å
354	S	98.7	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.			trans	-78.5	157.4	179.5	-57.2	0	0	0	0	111.4	P307 K310 Y356 L357	P307-S354 PolarHBondContact O-OG 3.09Å; K310-S354 WeakPolarHBondContact CE-OG 3.43Å; K310-S354 WeakPolarHBondContact CG-OG 3.34Å; S354-Y356 VanDerWaalsContact C-N 3.31Å; S354-Y356 VanDerWaalsContact CB-CD1 3.49Å; S354-Y356 VanDerWaalsContact CB-CE1 3.5Å; S354-Y356 PolarHBondContact O-N 3.47Å; S354-L357 PolarHBondContact O-N 2.98Å
355	T	98.8	Very high	97.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-61.6	-36.1	-177.8	45.3	0	0	0	0	113.4	C303 D305 F313 L357 V358	C303-T355 HydrophobicContact CB-CG2 4.02Å; D305-T355 WeakPolarHBondContact OD1-CB 3.38Å; D305-T355 PolarHBondContact OD1-OG1 3.24Å; F313-T355 HydrophobicContact CZ-CG2 4.34Å; T355-L357 PolarHBondContact O-N 2.87Å; T355-V358 WeakPolarHBondContact O-CB 3.45Å; T355-V358 WeakPolarHBondContact O-CG2 3.48Å; T355-V358 PolarHBondContact O-N 3.39Å; T355-V358 VanDerWaalsContact O-N 3.16Å
356	Y	98.7	Very high	97.5	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17	-179.7	81.6	-94.1	0	0	0	114	E293 P307 S354 M429 G470 T474 W478 N484	E293-Y356 HydrophobicContact CB-CD2 3.81Å; E293-Y356 HydrophobicContact CB-CG 4.48Å; E293-Y356 HydrophobicContact CG-CD2 3.69Å; E293-Y356 HydrophobicContact CG-CE2 4.15Å; E293-Y356 HydrophobicContact CG-CG 4.27Å; E293-Y356 VanDerWaalsContact OE1-CE2 3.29Å; E293-Y356 WeakPolarHBondContact OE1-CE2 3.29Å; P307-Y356 HydrophobicContact CB-CD1 4.36Å; P307-Y356 HydrophobicContact CB-CE1 4.17Å; S354-Y356 VanDerWaalsContact C-N 3.31Å; S354-Y356 VanDerWaalsContact CB-CD1 3.49Å; S354-Y356 VanDerWaalsContact CB-CE1 3.5Å; S354-Y356 PolarHBondContact O-N 3.47Å; Y356-M429 HydrophobicContact CD2-CE 3.66Å; Y356-M429 HydrophobicContact CE2-CE 3.82Å; Y356-G470 PolarHBondContact OH-O 2.69Å; Y356-T474 HydrophobicContact CE1-CG2 3.98Å; Y356-W478 HydrophobicContact CD1-CH2 4.06Å; Y356-W478 HydrophobicContact CD1-CZ2 4.46Å; Y356-W478 HydrophobicContact CE1-CH2 4.37Å; Y356-W478 HydrophobicContact CG-CH2 4.19Å; Y356-N484 PolarHBondContact OH-ND2 2.91Å
357	L	98.9	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-92.8	-4.2	178.7	-63.4	172.7	0	0	0	113.7	N328 M353 S354 T355 A359 M429 E430 N471	N328-L357 PolarHBondContact ND2-O 3.45Å; M353-L357 HydrophobicContact CB-CD1 4.43Å; S354-L357 PolarHBondContact O-N 2.98Å; T355-L357 PolarHBondContact O-N 2.87Å; L357-A359 PolarHBondContact O-N 3.13Å; L357-M429 HydrophobicContact CD2-CE 4.02Å; L357-E430 HydrophobicContact CD2-CG 3.75Å; L357-N471 HydrophobicContact CD1-CB 4.21Å; L357-N471 WeakPolarHBondContact CD1-OD1 3.45Å; L357-N471 WeakPolarHBondContact CD2-OD1 3.28Å
358	V	98.9	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.			trans	-67.5	126.7	173.3	176.3	0	0	0	0	108.3	F292 F301 F313 I315 N328 M353 T355 F360	F292-V358 HydrophobicContact CD2-CB 4.03Å; F292-V358 WeakPolarHBondContact CD2-O 3.08Å; F292-V358 HydrophobicContact CE2-CB 3.91Å; F292-V358 HydrophobicContact CE2-CG1 3.95Å; F292-V358 WeakPolarHBondContact CE2-O 3.3Å; F301-V358 HydrophobicContact CE1-CB 4.41Å; F301-V358 HydrophobicContact CE1-CG1 4.15Å; F301-V358 HydrophobicContact CZ-CB 4.33Å; F301-V358 HydrophobicContact CZ-CG1 4.33Å; F301-V358 HydrophobicContact CZ-CG2 4.14Å; F313-V358 HydrophobicContact CD1-CG2 3.56Å; F313-V358 HydrophobicContact CD2-CG2 4.16Å; F313-V358 HydrophobicContact CE1-CG2 3.41Å; F313-V358 VanDerWaalsContact CE1-CG2 3.41Å; F313-V358 HydrophobicContact CE2-CG2 4.02Å; F313-V358 HydrophobicContact CG-CG2 3.95Å; F313-V358 HydrophobicContact CZ-CG2 3.66Å; I315-V358 HydrophobicContact CD1-CG1 3.86Å; N328-V358 WeakPolarHBondContact OD1-CA 3.48Å; M353-V358 HydrophobicContact CE-CB 4.4Å; M353-V358 HydrophobicContact CE-CG2 3.76Å; T355-V358 WeakPolarHBondContact O-CB 3.45Å; T355-V358 WeakPolarHBondContact O-CG2 3.48Å; T355-V358 PolarHBondContact O-N 3.39Å; T355-V358 VanDerWaalsContact O-N 3.16Å; V358-F360 HydrophobicContact CG1-CD1 4.4Å; V358-F360 HydrophobicContact CG1-CE1 4.31Å
359	A	98.8	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.			trans	-138.9	148.5	177.3	0	0	0	0	0	113	T290 S327 N328 L357 N431 L434	T290-A359 VanDerWaalsContact OG1-CA 3.26Å; T290-A359 WeakPolarHBondContact OG1-CA 3.34Å; S327-A359 VanDerWaalsContact CA-O 3.25Å; S327-A359 WeakPolarHBondContact CA-O 3.45Å; S327-A359 WeakPolarHBondContact CB-O 3.46Å; S327-A359 PolarHBondContact OG-O 3.02Å; N328-A359 PolarHBondContact N-O 2.92Å; N328-A359 PolarHBondContact OD1-N 2.93Å; N328-A359 PolarHBondContact OD1-O 3.26Å; L357-A359 PolarHBondContact O-N 3.13Å; A359-N431 HydrophobicContact CB-CB 3.43Å; A359-N431 VanDerWaalsContact CB-CB 3.43Å; A359-L434 HydrophobicContact CB-CB 4.46Å; A359-L434 HydrophobicContact CB-CD2 4.04Å
360	F	98.8	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	147.4	169	46.2	-90.8	0	0	0	111.7	F180 F272 T290 F292 I315 I317 L326 V358	F180-F360 HydrophobicContact CD1-CE2 4.46Å; F180-F360 HydrophobicContact CD1-CZ 4Å; F180-F360 HydrophobicContact CD2-CD1 4.45Å; F180-F360 AromaticContact CD2-CE1 3.88Å; F180-F360 HydrophobicContact CD2-CE1 3.88Å; F180-F360 HydrophobicContact CD2-CE2 4.17Å; F180-F360 AromaticContact CD2-CZ 3.72Å; F180-F360 HydrophobicContact CD2-CZ 3.72Å; F180-F360 HydrophobicContact CE1-CE1 4.38Å; F180-F360 AromaticContact CE1-CZ 3.82Å; F180-F360 HydrophobicContact CE1-CZ 3.82Å; F180-F360 HydrophobicContact CE2-CD1 4.16Å; F180-F360 AromaticContact CE2-CE1 3.38Å; F180-F360 HydrophobicContact CE2-CE1 3.38Å; F180-F360 HydrophobicContact CE2-CE2 4.41Å; F180-F360 AromaticContact CE2-CZ 3.52Å; F180-F360 HydrophobicContact CE2-CZ 3.52Å; F180-F360 HydrophobicContact CG-CE2 4.2Å; F180-F360 AromaticContact CG-CZ 3.95Å; F180-F360 HydrophobicContact CG-CZ 3.95Å; F180-F360 AromaticContact CZ-CE1 3.67Å; F180-F360 HydrophobicContact CZ-CE1 3.67Å; F180-F360 AromaticContact CZ-CZ 3.58Å; F180-F360 HydrophobicContact CZ-CZ 3.58Å; F272-F360 HydrophobicContact CD1-CE2 4.01Å; F272-F360 HydrophobicContact CD2-CD2 4.23Å; F272-F360 AromaticContact CD2-CE2 3.62Å; F272-F360 HydrophobicContact CD2-CE2 3.62Å; F272-F360 HydrophobicContact CD2-CZ 4.48Å; F272-F360 AromaticContact CE1-CE2 3.94Å; F272-F360 HydrophobicContact CE1-CE2 3.94Å; F272-F360 AromaticContact CE2-CD2 3.86Å; F272-F360 HydrophobicContact CE2-CD2 3.86Å; F272-F360 AromaticContact CE2-CE2 3.55Å; F272-F360 HydrophobicContact CE2-CE2 3.55Å; F272-F360 AromaticContact CG-CE2 3.87Å; F272-F360 HydrophobicContact CG-CE2 3.87Å; F272-F360 HydrophobicContact CG-CZ 4.43Å; F272-F360 HydrophobicContact CZ-CD2 4.17Å; F272-F360 AromaticContact CZ-CE2 3.73Å; F272-F360 HydrophobicContact CZ-CE2 3.73Å; T290-F360 HydrophobicContact CG2-CD1 4.02Å; T290-F360 HydrophobicContact CG2-CD2 3.71Å; T290-F360 HydrophobicContact CG2-CE1 3.86Å; T290-F360 HydrophobicContact CG2-CE2 3.56Å; T290-F360 HydrophobicContact CG2-CG 3.95Å; T290-F360 HydrophobicContact CG2-CZ 3.63Å; T290-F360 PolarHBondContact N-O 3.41Å; T290-F360 PolarHBondContact OG1-N 2.88Å; T290-F360 PolarHBondContact OG1-O 3.04Å; F292-F360 HydrophobicContact CE2-CE1 4.38Å; F292-F360 HydrophobicContact CZ-CE1 4.14Å; F292-F360 HydrophobicContact CZ-CZ 4.23Å; I315-F360 HydrophobicContact CG2-CD1 4.45Å; I317-F360 HydrophobicContact CD1-CB 4.13Å; I317-F360 HydrophobicContact CD1-CD2 3.93Å; I317-F360 HydrophobicContact CD1-CE2 4.5Å; I317-F360 HydrophobicContact CD1-CG 3.97Å; L326-F360 CarbonylContact O-C 3.48Å; L326-F360 WeakPolarHBondContact O-CA 3.48Å; L326-F360 WeakPolarHBondContact O-CB 3.49Å; V358-F360 HydrophobicContact CG1-CD1 4.4Å; V358-F360 HydrophobicContact CG1-CE1 4.31Å
361	V	98.8	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.2	179.6	177.4	0	0	0	0	108.7	A288 A289 S325 L326 A363 F365 I421 L434	A288-V361 WeakPolarHBondContact O-CA 3.44Å; A289-V361 HydrophobicContact CB-CG2 4.13Å; S325-V361 CarbonylContact C-O 3.57Å; S325-V361 VanDerWaalsContact CA-O 3.24Å; S325-V361 WeakPolarHBondContact CA-O 3.2Å; L326-V361 HydrophobicContact CB-CB 4.45Å; L326-V361 PolarHBondContact N-O 2.86Å; L326-V361 PolarHBondContact O-N 3.28Å; V361-A363 HydrophobicContact CG1-CB 3.85Å; V361-F365 HydrophobicContact CG1-CD2 4.48Å; V361-F365 HydrophobicContact CG1-CE2 3.91Å; V361-I421 HydrophobicContact CG1-CD1 4.41Å; V361-I421 HydrophobicContact CG2-CD1 4.18Å; V361-L434 HydrophobicContact CG2-CD2 4.34Å
362	V	98.6	Very high	97.6	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.3	171.9	-175.2	0	0	0	0	108.2	P182 L184 L287 A288 I317 R319 Y323 M324	P182-V362 HydrophobicContact CG-CB 4.48Å; P182-V362 HydrophobicContact CG-CG1 4.5Å; P182-V362 HydrophobicContact CG-CG2 4Å; L184-V362 HydrophobicContact CD1-CG1 4.07Å; L287-V362 WeakPolarHBondContact CA-O 3.34Å; L287-V362 WeakPolarHBondContact CB-O 3.46Å; A288-V362 PolarHBondContact N-O 3.4Å; A288-V362 PolarHBondContact O-N 2.8Å; I317-V362 HydrophobicContact CG2-CG2 3.62Å; R319-V362 HydrophobicContact CB-CG1 4.18Å; Y323-V362 HydrophobicContact CG-CG1 4.3Å; M324-V362 WeakPolarHBondContact O-CA 3.47Å
363	A	97.3	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	176.7	-167.9	0	0	0	0	0	111.3	L287 M324 V361 F365	L287-A363 HydrophobicContact CB-CB 3.73Å; M324-A363 PolarHBondContact N-O 3.29Å; M324-A363 PolarHBondContact O-N 2.81Å; V361-A363 HydrophobicContact CG1-CB 3.85Å; A363-F365 HydrophobicContact CB-CD1 3.91Å; A363-F365 HydrophobicContact CB-CD2 3.76Å; A363-F365 HydrophobicContact CB-CE1 3.85Å; A363-F365 HydrophobicContact CB-CE2 3.71Å; A363-F365 HydrophobicContact CB-CG 3.86Å; A363-F365 HydrophobicContact CB-CZ 3.77Å
364	N	94.9	Very high	97.1	Very high	73 Å²	73	27 Å²	27	39%	0.39	19%	0.189	S	C	.	.			trans	-113.7	92.6	163.6	-176.7	3.4	0	0	0	107.7	Y277 P383	Y277-N364 PolarHBondContact OH-O 3.33Å; N364-P383 WeakPolarHBondContact O-CD 3.34Å
365	F	96.7	Very high	97	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.044	19%	0.191	C	C	.	.			trans	-120.7	161.5	-176.9	-70.6	-19.3	0	0	0	110.9	L287 M324 V361 A363 Y380 S381 V382 V419 I421	L287-F365 HydrophobicContact CD1-CZ 4.32Å; L287-F365 HydrophobicContact CD2-CE1 4.18Å; L287-F365 HydrophobicContact CD2-CZ 4.15Å; M324-F365 HydrophobicContact SD-CB 3.95Å; M324-F365 VanDerWaalsContact SD-O 3.34Å; V361-F365 HydrophobicContact CG1-CD2 4.48Å; V361-F365 HydrophobicContact CG1-CE2 3.91Å; A363-F365 HydrophobicContact CB-CD1 3.91Å; A363-F365 HydrophobicContact CB-CD2 3.76Å; A363-F365 HydrophobicContact CB-CE1 3.85Å; A363-F365 HydrophobicContact CB-CE2 3.71Å; A363-F365 HydrophobicContact CB-CG 3.86Å; A363-F365 HydrophobicContact CB-CZ 3.77Å; F365-Y380 HydrophobicContact CB-CD1 4.37Å; F365-S381 VanDerWaalsContact CA-O 3.29Å; F365-S381 WeakPolarHBondContact CA-O 3.33Å; F365-S381 VanDerWaalsContact CB-O 3.26Å; F365-S381 WeakPolarHBondContact CB-O 3.25Å; F365-V382 HydrophobicContact CD1-CG1 4.14Å; F365-V382 HydrophobicContact CE1-CG1 3.76Å; F365-V419 HydrophobicContact CD2-CG1 3.95Å; F365-V419 HydrophobicContact CE2-CG1 3.55Å; F365-I421 HydrophobicContact CE2-CD1 4.16Å; F365-I421 HydrophobicContact CZ-CD1 4.35Å
366	T	96.7	Very high	97	Very high	47 Å²	47	32.1 Å²	32.1	29%	0.288	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.8	167.7	49.7	0	0	0	0	109.2	Y380 S381 P383 T386	T366-Y380 VanDerWaalsContact O-CA 3.29Å; T366-Y380 WeakPolarHBondContact O-CA 3.23Å; T366-S381 PolarHBondContact N-O 3.25Å; T366-S381 PolarHBondContact O-N 2.91Å; T366-P383 HydrophobicContact CG2-CB 3.97Å; T366-P383 HydrophobicContact CG2-CG 4.13Å; T366-P383 WeakPolarHBondContact OG1-CA 3.29Å; T366-T386 PolarHBondContact OG1-OG1 3.4Å
367	S	97.6	Very high	97	Very high	51 Å²	51	32.1 Å²	32.1	36%	0.357	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.2	174.5	58.8	0	0	0	0	113.5	V379	S367-V379 WeakPolarHBondContact CA-O 3.4Å; S367-V379 WeakPolarHBondContact CB-O 3.19Å
368	V	98.1	Very high	97	Very high	43 Å²	43	32.1 Å²	32.1	26%	0.261	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.7	158.6	-64.2	0	0	0	0	108.6	S378 V379 T386 T389 L393	V368-S378 CarbonylContact O-C 3.49Å; V368-S378 VanDerWaalsContact O-CA 3.24Å; V368-S378 WeakPolarHBondContact O-CA 3.37Å; V368-V379 HydrophobicContact CG2-CB 4.09Å; V368-V379 PolarHBondContact N-O 3.4Å; V368-V379 VanDerWaalsContact N-O 3.11Å; V368-V379 PolarHBondContact O-N 3.13Å; V368-T386 HydrophobicContact CG1-CG2 4.12Å; V368-T389 WeakPolarHBondContact CG2-OG1 3.36Å; V368-L393 HydrophobicContact CB-CD2 4.18Å; V368-L393 HydrophobicContact CG2-CB 4.31Å; V368-L393 HydrophobicContact CG2-CD2 3.88Å
369	S	98.2	Very high	97	Very high	56 Å²	56	32.1 Å²	32.1	39%	0.392	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.3	-179.1	-58	0	0	0	0	112.9	Q376 V377 S378	S369-Q376 PolarHBondContact OG-NE2 3.42Å; S369-V377 CarbonylContact C-O 3.5Å; S369-V377 WeakPolarHBondContact CA-O 3.23Å; S369-V377 WeakPolarHBondContact CB-O 3.17Å; S369-S378 WeakPolarHBondContact OG-CB 3.17Å; S369-S378 PolarHBondContact OG-OG 2.95Å
370	S	97.2	Very high	97	Very high	36 Å²	36	33.3 Å²	33.3	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	173.1	169.9	62.9	0	0	0	0	109.3	V377 L393 S397	S370-V377 PolarHBondContact N-O 2.93Å; S370-V377 PolarHBondContact O-N 2.96Å; S370-L393 WeakPolarHBondContact OG-CD1 3.48Å; S370-S397 PolarHBondContact OG-OG 3.27Å
371	S	95.9	Very high	97	Very high	96 Å²	96	33.3 Å²	33.3	67%	0.671	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	166.7	-176.9	0	0	0	0	108.7	T375	S371-T375 WeakPolarHBondContact CA-O 3.31Å
372	A	94.4	Very high	96.8	Very high	10 Å²	10	33.4 Å²	33.4	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124	178.6	0	0	0	0	0	108.8	G374 T375 V377 L400	A372-G374 PolarHBondContact O-N 3.45Å; A372-G374 VanDerWaalsContact O-N 3.12Å; A372-T375 PolarHBondContact N-O 3.49Å; A372-T375 WeakPolarHBondContact O-CA 3.17Å; A372-T375 WeakPolarHBondContact O-CB 3.03Å; A372-T375 PolarHBondContact O-N 2.87Å; A372-V377 HydrophobicContact CB-CG2 4.01Å; A372-L400 HydrophobicContact CB-CD2 4.32Å
373	S	90.6	Very high	96.6	Very high	68 Å²	68	35.6 Å²	35.6	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	38.8	-176.4	-54.8	0	0	0	0	114.2	T375 N404	S373-T375 PolarHBondContact O-N 2.77Å; S373-N404 WeakPolarHBondContact CB-ND2 3.16Å; S373-N404 PolarHBondContact OG-ND2 3.47Å
374	G	92.6	Very high	96.4	Very high	70 Å²	70	38.2 Å²	38.2	72%	0.722	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-0.7	-178	0	0	0	0	0	115.6	A372	A372-G374 PolarHBondContact O-N 3.45Å; A372-G374 VanDerWaalsContact O-N 3.12Å
375	T	97.8	Very high	96.3	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.2	173.5	-57.7	0	0	0	0	109.8	S371 A372 S373 V377 L400 Y411 L416	S371-T375 WeakPolarHBondContact CA-O 3.31Å; A372-T375 PolarHBondContact N-O 3.49Å; A372-T375 WeakPolarHBondContact O-CA 3.17Å; A372-T375 WeakPolarHBondContact O-CB 3.03Å; A372-T375 PolarHBondContact O-N 2.87Å; S373-T375 PolarHBondContact O-N 2.77Å; T375-V377 PolarHBondContact O-N 3.44Å; T375-L400 HydrophobicContact CG2-CD2 3.88Å; T375-Y411 HydrophobicContact CG2-CD1 3.77Å; T375-Y411 HydrophobicContact CG2-CE1 3.81Å; T375-L416 HydrophobicContact CG2-CB 4.16Å
376	Q	98.5	Very high	96.1	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112	169.7	-178.9	176.5	-9.8	0	0	109.6	S369 K414 K415 L416	S369-Q376 PolarHBondContact OG-NE2 3.42Å; Q376-K414 PolarHBondContact N-O 2.98Å; Q376-K415 HydrophobicContact CB-CB 4.25Å; Q376-K415 CarbonylContact O-C 3.58Å; Q376-K415 WeakPolarHBondContact O-CA 3.33Å; Q376-K415 WeakPolarHBondContact O-CB 3.46Å; Q376-L416 PolarHBondContact O-N 3.1Å
377	V	98.8	Very high	95.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133	173.2	-174	0	0	0	0	108.2	S369 S370 A372 T375 L393 A396 L400 L416 L418	S369-V377 CarbonylContact C-O 3.5Å; S369-V377 WeakPolarHBondContact CA-O 3.23Å; S369-V377 WeakPolarHBondContact CB-O 3.17Å; S370-V377 PolarHBondContact N-O 2.93Å; S370-V377 PolarHBondContact O-N 2.96Å; A372-V377 HydrophobicContact CB-CG2 4.01Å; T375-V377 PolarHBondContact O-N 3.44Å; V377-L393 HydrophobicContact CB-CD1 4.37Å; V377-L393 HydrophobicContact CG1-CD1 4.11Å; V377-A396 HydrophobicContact CG1-CB 4.04Å; V377-L400 HydrophobicContact CG2-CD2 3.59Å; V377-L416 WeakPolarHBondContact CA-O 3.44Å; V377-L418 HydrophobicContact CG1-CD1 4Å
378	S	98.8	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.5	177.9	-46.1	0	0	0	0	111.6	V368 S369 L416 D417 L418	V368-S378 CarbonylContact O-C 3.49Å; V368-S378 VanDerWaalsContact O-CA 3.24Å; V368-S378 WeakPolarHBondContact O-CA 3.37Å; S369-S378 WeakPolarHBondContact OG-CB 3.17Å; S369-S378 PolarHBondContact OG-OG 2.95Å; S378-L416 PolarHBondContact N-O 2.98Å; S378-D417 WeakPolarHBondContact CB-OD1 3.31Å; S378-D417 CarbonylContact O-C 3.5Å; S378-D417 WeakPolarHBondContact O-CA 3.23Å; S378-D417 PolarHBondContact OG-OD1 3.38Å; S378-L418 PolarHBondContact O-N 3.1Å
379	V	98.8	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.2	171.9	-175.6	0	0	0	0	108.8	S367 V368 T389 A392 L393 L418 L442	S367-V379 WeakPolarHBondContact CA-O 3.4Å; S367-V379 WeakPolarHBondContact CB-O 3.19Å; V368-V379 HydrophobicContact CG2-CB 4.09Å; V368-V379 PolarHBondContact N-O 3.4Å; V368-V379 VanDerWaalsContact N-O 3.11Å; V368-V379 PolarHBondContact O-N 3.13Å; V379-T389 HydrophobicContact CB-CG2 4.31Å; V379-T389 HydrophobicContact CG1-CG2 3.67Å; V379-A392 HydrophobicContact CG1-CB 4.33Å; V379-A392 HydrophobicContact CG2-CB 4.13Å; V379-L393 HydrophobicContact CG2-CB 3.83Å; V379-L393 HydrophobicContact CG2-CD1 4.05Å; V379-L418 CarbonylContact C-O 3.54Å; V379-L418 WeakPolarHBondContact CA-O 3.45Å; V379-L418 HydrophobicContact CG2-CB 4.38Å; V379-L442 HydrophobicContact CG1-CD2 3.9Å; V379-L442 HydrophobicContact CG1-CG 4.17Å
380	Y	98.7	Very high	95.5	Very high	25 Å²	25	39.4 Å²	39.4	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.3	179.6	-70.1	-99.3	0	0	0	111.5	M324 L326 F365 T366 D417 L418 V419 A420	M324-Y380 HydrophobicContact CE-CD1 4.48Å; M324-Y380 HydrophobicContact CE-CE1 3.86Å; M324-Y380 HydrophobicContact SD-CE1 4.47Å; L326-Y380 HydrophobicContact CD1-CD1 3.7Å; L326-Y380 HydrophobicContact CD1-CD2 4.05Å; L326-Y380 HydrophobicContact CD1-CE1 3.87Å; L326-Y380 HydrophobicContact CD1-CE2 4.19Å; L326-Y380 HydrophobicContact CD1-CG 3.8Å; L326-Y380 HydrophobicContact CD2-CD1 4.36Å; L326-Y380 HydrophobicContact CD2-CE1 3.66Å; L326-Y380 HydrophobicContact CD2-CE2 4.31Å; L326-Y380 HydrophobicContact CG-CE1 4.37Å; F365-Y380 HydrophobicContact CB-CD1 4.37Å; T366-Y380 VanDerWaalsContact O-CA 3.29Å; T366-Y380 WeakPolarHBondContact O-CA 3.23Å; Y380-D417 HydrophobicContact CD2-CB 4.08Å; Y380-D417 HydrophobicContact CE2-CB 3.82Å; Y380-D417 VanDerWaalsContact CE2-CG 3.43Å; Y380-L418 PolarHBondContact N-O 3.28Å; Y380-V419 HydrophobicContact CD2-CG2 4.28Å; Y380-V419 HydrophobicContact CG-CG2 4.49Å; Y380-A420 PolarHBondContact O-N 2.77Å
381	S	97.5	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	170.9	176	63.9	0	0	0	0	111.1	F365 T366	F365-S381 VanDerWaalsContact CA-O 3.29Å; F365-S381 WeakPolarHBondContact CA-O 3.33Å; F365-S381 VanDerWaalsContact CB-O 3.26Å; F365-S381 WeakPolarHBondContact CB-O 3.25Å; T366-S381 PolarHBondContact N-O 3.25Å; T366-S381 PolarHBondContact O-N 2.91Å
382	V	95.4	Very high	95.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	21%	0.21	C	C	.	.			trans	-57.7	143.1	164.5	-61.2	0	0	0	0	110	Y277 F365 D384 K385 P422	Y277-V382 HydrophobicContact CD1-CG1 3.6Å; Y277-V382 HydrophobicContact CD2-CB 4.22Å; Y277-V382 HydrophobicContact CD2-CG1 3.83Å; Y277-V382 HydrophobicContact CE1-CB 4.45Å; Y277-V382 HydrophobicContact CE1-CG1 3.57Å; Y277-V382 HydrophobicContact CE2-CB 3.93Å; Y277-V382 HydrophobicContact CE2-CG1 3.8Å; Y277-V382 HydrophobicContact CG-CG1 3.73Å; F365-V382 HydrophobicContact CD1-CG1 4.14Å; F365-V382 HydrophobicContact CE1-CG1 3.76Å; V382-D384 PolarHBondContact O-N 3.07Å; V382-K385 HydrophobicContact CG2-CB 3.96Å; V382-K385 HydrophobicContact CG2-CD 3.67Å; V382-K385 HydrophobicContact CG2-CG 3.64Å; V382-K385 PolarHBondContact O-N 3.3Å; V382-P422 HydrophobicContact CG1-CG 4.2Å
383	P	94.3	Very high	95.8	Very high	49 Å²	49	36 Å²	36	32%	0.318	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-50	-38.2	-173.5	-29	33.8	0	0	0	113.8	N364 T366 K385 T386	N364-P383 WeakPolarHBondContact O-CD 3.34Å; T366-P383 HydrophobicContact CG2-CB 3.97Å; T366-P383 HydrophobicContact CG2-CG 4.13Å; T366-P383 WeakPolarHBondContact OG1-CA 3.29Å; P383-K385 PolarHBondContact O-N 3Å; P383-T386 PolarHBondContact O-N 3.14Å; P383-T386 PolarHBondContact O-OG1 2.99Å
384	D	92.1	Very high	96.2	Very high	57 Å²	57	36.1 Å²	36.1	31%	0.305	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-66.5	-17.5	-177.9	-80.3	-41.3	0	0	0	115.8	K280 V382	K280-D384 HydrophobicContact CD-CB 4.34Å; K280-D384 WeakPolarHBondContact CD-OD1 3.29Å; K280-D384 VanDerWaalsContact CE-OD1 3.24Å; K280-D384 WeakPolarHBondContact CE-OD1 3.45Å; K280-D384 HydrophobicContact CG-CB 4.22Å; K280-D384 VanDerWaalsContact CG-CG 3.48Å; K280-D384 WeakPolarHBondContact CG-OD1 3.39Å; K280-D384 PolarHBondContact N-OD2 2.96Å; K280-D384 PolarHBondContact NZ-O 3.43Å; K280-D384 IonicContact NZ-OD1 2.94Å; K280-D384 PolarHBondContact NZ-OD1 3.39Å; V382-D384 PolarHBondContact O-N 3.07Å
385	K	92.7	Very high	96.4	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.087	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-112.4	7.7	-177.3	-59.5	-179.3	-165.7	174.5	0	113.6	V382 P383 E387 Q388 E439 L443 T882 D884	V382-K385 HydrophobicContact CG2-CB 3.96Å; V382-K385 HydrophobicContact CG2-CD 3.67Å; V382-K385 HydrophobicContact CG2-CG 3.64Å; V382-K385 PolarHBondContact O-N 3.3Å; P383-K385 PolarHBondContact O-N 3Å; K385-E387 PolarHBondContact O-N 3.4Å; K385-Q388 VanDerWaalsContact O-CB 3.29Å; K385-Q388 WeakPolarHBondContact O-CB 3.39Å; K385-Q388 PolarHBondContact O-N 3.34Å; K385-E439 WeakPolarHBondContact CD-OE1 3.44Å; K385-E439 WeakPolarHBondContact CE-OE1 3.4Å; K385-E439 IonicContact NZ-OE1 2.69Å; K385-E439 PolarHBondContact NZ-OE1 3Å; K385-E439 IonicContact NZ-OE2 3.83Å; K385-E439 PolarHBondContact NZ-OE2 2.81Å; K385-L443 HydrophobicContact CB-CD1 3.95Å; K385-L443 HydrophobicContact CD-CD1 3.79Å; K385-T882 VanDerWaalsContact CE-O 3.28Å; K385-T882 WeakPolarHBondContact CE-O 3.33Å; K385-D884 IonicContact NZ-OD1 2.93Å; K385-D884 IonicContact NZ-OD2 3.97Å; K385-D884 PolarHBondContact NZ-OD2 2.68Å
386	T	93.3	Very high	96.5	Very high	40 Å²	40	32.5 Å²	32.5	25%	0.245	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-48.6	-40	-178	-49	0	0	0	0	113.7	T366 V368 P383 Q388 T389	T366-T386 PolarHBondContact OG1-OG1 3.4Å; V368-T386 HydrophobicContact CG1-CG2 4.12Å; P383-T386 PolarHBondContact O-N 3.14Å; P383-T386 PolarHBondContact O-OG1 2.99Å; T386-Q388 PolarHBondContact O-N 3.09Å; T386-T389 WeakPolarHBondContact O-CB 3.36Å; T386-T389 WeakPolarHBondContact O-CG2 3.23Å; T386-T389 PolarHBondContact O-N 3.41Å; T386-T389 PolarHBondContact O-OG1 3.03Å
387	E	92	Very high	96.5	Very high	140 Å²	140	28.5 Å²	28.5	65%	0.654	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.8	179.7	-66.8	-172.1	-148.6	0	0	114.2	K385 T389 K446	K385-E387 PolarHBondContact O-N 3.4Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 3.08Å; E387-K446 WeakPolarHBondContact OE2-CE 3.42Å; E387-K446 IonicContact OE2-NZ 3.26Å; E387-K446 PolarHBondContact OE2-NZ 3.03Å
388	Q	94.6	Very high	96.4	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.107	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-82.3	-2.9	-175.7	-54.6	179.9	16.5	0	0	113.5	K385 T386 L443 L444	K385-Q388 VanDerWaalsContact O-CB 3.29Å; K385-Q388 WeakPolarHBondContact O-CB 3.39Å; K385-Q388 PolarHBondContact O-N 3.34Å; T386-Q388 PolarHBondContact O-N 3.09Å; Q388-L443 HydrophobicContact CB-CB 3.95Å; Q388-L444 WeakPolarHBondContact CA-O 3.2Å; Q388-L444 WeakPolarHBondContact CB-O 3.49Å; Q388-L444 PolarHBondContact O-N 2.98Å
389	T	96.6	Very high	96.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-87.4	-15.9	-174.2	60	0	0	0	0	114.3	V368 V379 T386 E387 F391 A392 L393 L443	V368-T389 WeakPolarHBondContact CG2-OG1 3.36Å; V379-T389 HydrophobicContact CB-CG2 4.31Å; V379-T389 HydrophobicContact CG1-CG2 3.67Å; T386-T389 WeakPolarHBondContact O-CB 3.36Å; T386-T389 WeakPolarHBondContact O-CG2 3.23Å; T386-T389 PolarHBondContact O-N 3.41Å; T386-T389 PolarHBondContact O-OG1 3.03Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 3.08Å; T389-F391 PolarHBondContact O-N 3.32Å; T389-A392 PolarHBondContact O-N 2.99Å; T389-L393 PolarHBondContact O-N 2.98Å; T389-L443 HydrophobicContact CG2-CD2 3.83Å
390	S	95.9	Very high	96.4	Very high	79 Å²	79	32.6 Å²	32.6	55%	0.552	17%	0.172	S	C	*	.	H	α-helix	trans	-60.3	-43.5	-168.2	53	0	0	0	0	114.1	L393 D394	S390-L393 PolarHBondContact O-N 3.47Å; S390-D394 PolarHBondContact O-N 2.79Å; S390-D394 VanDerWaalsContact O-N 3.16Å
391	F	96.4	Very high	96.4	Very high	47 Å²	47	35.9 Å²	35.9	21%	0.206	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.2	177.9	-96.9	0	0	0	112.4	T389 T395 L444 K453 V456 A457	T389-F391 PolarHBondContact O-N 3.32Å; F391-T395 VanDerWaalsContact O-CB 3.25Å; F391-T395 WeakPolarHBondContact O-CB 3.25Å; F391-T395 PolarHBondContact O-N 2.84Å; F391-T395 PolarHBondContact O-OG1 3.08Å; F391-L444 HydrophobicContact CB-CD1 4.1Å; F391-L444 HydrophobicContact CD1-CD1 3.33Å; F391-L444 HydrophobicContact CD1-CG 4.42Å; F391-L444 HydrophobicContact CE1-CD1 3.81Å; F391-L444 HydrophobicContact CG-CD1 3.74Å; F391-K453 HydrophobicContact CE1-CB 4.44Å; F391-K453 HydrophobicContact CE2-CB 4.46Å; F391-K453 HydrophobicContact CE2-CG 4.4Å; F391-K453 HydrophobicContact CZ-CB 4.04Å; F391-K453 HydrophobicContact CZ-CG 4.35Å; F391-V456 HydrophobicContact CD1-CG1 3.98Å; F391-V456 HydrophobicContact CE1-CB 4.35Å; F391-V456 HydrophobicContact CE1-CG1 4.07Å; F391-A457 HydrophobicContact CE1-CB 4.19Å; F391-A457 HydrophobicContact CZ-CB 4.17Å
392	A	98.1	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-40.6	177.6	0	0	0	0	0	111.8	V379 T389 T395 A396 L442 I460	V379-A392 HydrophobicContact CG1-CB 4.33Å; V379-A392 HydrophobicContact CG2-CB 4.13Å; T389-A392 PolarHBondContact O-N 2.99Å; A392-T395 PolarHBondContact O-N 2.82Å; A392-A396 WeakPolarHBondContact O-CB 3.5Å; A392-A396 PolarHBondContact O-N 3.43Å; A392-L442 HydrophobicContact CB-CD1 3.57Å; A392-L442 HydrophobicContact CB-CG 4.13Å; A392-L442 WeakPolarHBondContact CB-O 3.48Å; A392-I460 HydrophobicContact CB-CD1 3.64Å
393	L	98.6	Very high	96.5	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-46.5	178.1	-175.5	69.7	0	0	0	111.7	V368 S370 V377 V379 T389 S390 S397	V368-L393 HydrophobicContact CB-CD2 4.18Å; V368-L393 HydrophobicContact CG2-CB 4.31Å; V368-L393 HydrophobicContact CG2-CD2 3.88Å; S370-L393 WeakPolarHBondContact OG-CD1 3.48Å; V377-L393 HydrophobicContact CB-CD1 4.37Å; V377-L393 HydrophobicContact CG1-CD1 4.11Å; V379-L393 HydrophobicContact CG2-CB 3.83Å; V379-L393 HydrophobicContact CG2-CD1 4.05Å; T389-L393 PolarHBondContact O-N 2.98Å; S390-L393 PolarHBondContact O-N 3.47Å; L393-S397 VanDerWaalsContact O-CB 3.3Å; L393-S397 WeakPolarHBondContact O-CB 3.25Å; L393-S397 PolarHBondContact O-N 3.08Å; L393-S397 PolarHBondContact O-OG 2.94Å
394	D	97.9	Very high	96.7	Very high	71 Å²	71	35.3 Å²	35.3	38%	0.38	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-47	177	175.1	66.2	0	0	0	111.7	S390 S397 K398	S390-D394 PolarHBondContact O-N 2.79Å; S390-D394 VanDerWaalsContact O-N 3.16Å; D394-S397 PolarHBondContact O-N 3.37Å; D394-K398 WeakPolarHBondContact O-CG 3.48Å; D394-K398 PolarHBondContact O-N 3.07Å; D394-K398 WeakPolarHBondContact OD1-CE 3.35Å; D394-K398 IonicContact OD1-NZ 2.85Å; D394-K398 PolarHBondContact OD1-NZ 3.24Å; D394-K398 IonicContact OD2-NZ 2.69Å; D394-K398 PolarHBondContact OD2-NZ 3.49Å
395	T	98.2	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-47.9	-179.7	-57.9	0	0	0	0	111.4	F391 A392 S397 K398 L399 A457 I460 L500	F391-T395 VanDerWaalsContact O-CB 3.25Å; F391-T395 WeakPolarHBondContact O-CB 3.25Å; F391-T395 PolarHBondContact O-N 2.84Å; F391-T395 PolarHBondContact O-OG1 3.08Å; A392-T395 PolarHBondContact O-N 2.82Å; T395-S397 PolarHBondContact O-N 3.3Å; T395-K398 PolarHBondContact O-N 2.86Å; T395-L399 HydrophobicContact CG2-CD1 3.71Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.16Å; T395-A457 HydrophobicContact CG2-CB 4.13Å; T395-I460 HydrophobicContact CG2-CB 4.49Å; T395-I460 HydrophobicContact CG2-CD1 4.46Å; T395-I460 HydrophobicContact CG2-CG2 4.29Å; T395-L500 HydrophobicContact CG2-CD1 4.02Å
396	A	98.6	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-37.8	176.7	0	0	0	0	0	112.5	V377 A392 L400 L418 I460 L464	V377-A396 HydrophobicContact CG1-CB 4.04Å; A392-A396 WeakPolarHBondContact O-CB 3.5Å; A392-A396 PolarHBondContact O-N 3.43Å; A396-L400 VanDerWaalsContact O-CB 3.24Å; A396-L400 WeakPolarHBondContact O-CB 3.44Å; A396-L400 PolarHBondContact O-N 2.99Å; A396-L418 HydrophobicContact CB-CD1 4.07Å; A396-L418 HydrophobicContact CB-CD2 3.78Å; A396-I460 HydrophobicContact CB-CG2 3.89Å; A396-L464 HydrophobicContact CB-CD2 4.15Å; A396-L464 VanDerWaalsContact O-CD2 3.29Å; A396-L464 WeakPolarHBondContact O-CD2 3.49Å
397	S	98.4	Very high	97.3	Very high	19 Å²	19	36.6 Å²	36.6	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-44.9	176.1	-59.7	0	0	0	0	111.7	S370 L393 D394 T395 Q401	S370-S397 PolarHBondContact OG-OG 3.27Å; L393-S397 VanDerWaalsContact O-CB 3.3Å; L393-S397 WeakPolarHBondContact O-CB 3.25Å; L393-S397 PolarHBondContact O-N 3.08Å; L393-S397 PolarHBondContact O-OG 2.94Å; D394-S397 PolarHBondContact O-N 3.37Å; T395-S397 PolarHBondContact O-N 3.3Å; S397-Q401 PolarHBondContact O-N 2.69Å
398	K	98.2	Very high	97.5	Very high	86 Å²	86	36.3 Å²	36.3	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-67.4	-45	178.4	-72.4	166.9	179.2	165	0	112.4	D394 T395 Q401 F402 I499	D394-K398 WeakPolarHBondContact O-CG 3.48Å; D394-K398 PolarHBondContact O-N 3.07Å; D394-K398 WeakPolarHBondContact OD1-CE 3.35Å; D394-K398 IonicContact OD1-NZ 2.85Å; D394-K398 PolarHBondContact OD1-NZ 3.24Å; D394-K398 IonicContact OD2-NZ 2.69Å; D394-K398 PolarHBondContact OD2-NZ 3.49Å; T395-K398 PolarHBondContact O-N 2.86Å; K398-Q401 PolarHBondContact O-N 2.96Å; K398-F402 WeakPolarHBondContact O-CB 3.49Å; K398-F402 PolarHBondContact O-N 3.29Å; K398-I499 HydrophobicContact CB-CD1 4.29Å
399	L	98.5	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-41.1	176.7	-77.4	162.8	0	0	0	112	T395 F402 Y403 I460 A461 L464 I499	T395-L399 HydrophobicContact CG2-CD1 3.71Å; T395-L399 WeakPolarHBondContact O-CB 3.45Å; T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.16Å; L399-F402 PolarHBondContact O-N 3.46Å; L399-Y403 HydrophobicContact CB-CD2 4.39Å; L399-Y403 HydrophobicContact CB-CE2 4.12Å; L399-Y403 HydrophobicContact CD2-CE2 3.99Å; L399-Y403 WeakPolarHBondContact O-CD2 3.23Å; L399-Y403 PolarHBondContact O-N 3.46Å; L399-I460 HydrophobicContact CD1-CB 4.31Å; L399-I460 HydrophobicContact CD1-CG2 3.69Å; L399-A461 HydrophobicContact CD1-CB 3.88Å; L399-A461 HydrophobicContact CD2-CB 3.83Å; L399-L464 HydrophobicContact CB-CD2 3.55Å; L399-I499 HydrophobicContact CD2-CD1 3.5Å; L399-I499 HydrophobicContact CD2-CG1 4.24Å; L399-I499 HydrophobicContact CG-CD1 3.56Å
400	L	98.6	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-44.6	177.9	-176.4	63.1	0	0	0	111.3	A372 T375 V377 A396 N404 Y411 L416 L464 W468	A372-L400 HydrophobicContact CB-CD2 4.32Å; T375-L400 HydrophobicContact CG2-CD2 3.88Å; V377-L400 HydrophobicContact CG2-CD2 3.59Å; A396-L400 VanDerWaalsContact O-CB 3.24Å; A396-L400 WeakPolarHBondContact O-CB 3.44Å; A396-L400 PolarHBondContact O-N 2.99Å; L400-N404 PolarHBondContact O-N 3.16Å; L400-N404 VanDerWaalsContact O-N 3.11Å; L400-N404 PolarHBondContact O-ND2 3.42Å; L400-N404 VanDerWaalsContact O-ND2 3.07Å; L400-Y411 HydrophobicContact CD1-CD1 4.44Å; L400-Y411 HydrophobicContact CD1-CD2 4.31Å; L400-Y411 HydrophobicContact CD1-CG 3.96Å; L400-L416 HydrophobicContact CD1-CD2 4.2Å; L400-L416 HydrophobicContact CD2-CD2 4.3Å; L400-L464 HydrophobicContact CB-CD2 4.18Å; L400-W468 HydrophobicContact CD1-CH2 4.05Å
401	Q	98.1	Very high	97.8	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-60.1	-48.8	172.7	-179.9	178.5	-8.7	0	0	111.1	S397 K398 Y403 N404 E405	S397-Q401 PolarHBondContact O-N 2.69Å; K398-Q401 PolarHBondContact O-N 2.96Å; Q401-Y403 PolarHBondContact O-N 2.97Å; Q401-N404 PolarHBondContact O-N 3Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.35Å; Q401-E405 PolarHBondContact NE2-OE1 3Å; Q401-E405 WeakPolarHBondContact O-CG 3.29Å; Q401-E405 PolarHBondContact O-N 3.11Å; Q401-E405 VanDerWaalsContact O-N 3.08Å
402	F	98	Very high	97.7	Very high	24 Å²	24	38.6 Å²	38.6	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-56.6	-48.4	179	173.1	-97	0	0	0	112.3	K398 L399 E405 F406 M491 M494 S495 E498 I499	K398-F402 WeakPolarHBondContact O-CB 3.49Å; K398-F402 PolarHBondContact O-N 3.29Å; L399-F402 PolarHBondContact O-N 3.46Å; F402-E405 PolarHBondContact O-N 2.88Å; F402-F406 HydrophobicContact CD1-CB 4.45Å; F402-F406 HydrophobicContact CE1-CB 4.06Å; F402-F406 HydrophobicContact CE1-CD2 4.28Å; F402-F406 HydrophobicContact CE1-CG 4.19Å; F402-F406 HydrophobicContact CE2-CB 4.43Å; F402-F406 HydrophobicContact CE2-CD2 4.24Å; F402-F406 HydrophobicContact CZ-CB 4.06Å; F402-F406 AromaticContact CZ-CD2 3.66Å; F402-F406 HydrophobicContact CZ-CD2 3.66Å; F402-F406 HydrophobicContact CZ-CE2 4.42Å; F402-F406 HydrophobicContact CZ-CG 4.02Å; F402-F406 WeakPolarHBondContact O-CB 3.37Å; F402-F406 PolarHBondContact O-N 3.02Å; F402-M491 HydrophobicContact CE1-CE 4.46Å; F402-M494 HydrophobicContact CE1-CE 4.36Å; F402-M494 HydrophobicContact CZ-CE 4.19Å; F402-M494 HydrophobicContact CZ-SD 4.28Å; F402-S495 VanDerWaalsContact CE1-CB 3.41Å; F402-E498 HydrophobicContact CE2-CB 4.36Å; F402-E498 VanDerWaalsContact CE2-OE2 3.28Å; F402-E498 WeakPolarHBondContact CE2-OE2 3.44Å; F402-I499 HydrophobicContact CB-CG2 3.92Å; F402-I499 HydrophobicContact CD2-CG2 3.65Å; F402-I499 HydrophobicContact CE2-CG2 4.34Å; F402-I499 HydrophobicContact CG-CG2 3.78Å
403	Y	98.4	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-34.9	-179.1	-67.9	-47.8	0	0	0	112.9	L399 Q401 E405 F406 F407 A461 L464 A465 W468 M491 S495	L399-Y403 HydrophobicContact CB-CD2 4.39Å; L399-Y403 HydrophobicContact CB-CE2 4.12Å; L399-Y403 HydrophobicContact CD2-CE2 3.99Å; L399-Y403 WeakPolarHBondContact O-CD2 3.23Å; L399-Y403 PolarHBondContact O-N 3.46Å; Q401-Y403 PolarHBondContact O-N 2.97Å; Y403-E405 PolarHBondContact O-N 3.44Å; Y403-F406 PolarHBondContact O-N 3.41Å; Y403-F407 HydrophobicContact CD1-CD2 4.32Å; Y403-F407 AromaticContact CD1-CE2 3.54Å; Y403-F407 HydrophobicContact CD1-CE2 3.54Å; Y403-F407 HydrophobicContact CD1-CZ 4.02Å; Y403-F407 HydrophobicContact CE1-CE2 4.42Å; Y403-F407 HydrophobicContact CG-CD2 4.45Å; Y403-F407 AromaticContact CG-CE2 3.89Å; Y403-F407 HydrophobicContact CG-CE2 3.89Å; Y403-F407 WeakPolarHBondContact O-CB 3.38Å; Y403-F407 WeakPolarHBondContact O-CD2 3.37Å; Y403-F407 PolarHBondContact O-N 3.42Å; Y403-A461 PolarHBondContact OH-O 3.43Å; Y403-A461 VanDerWaalsContact OH-O 3.06Å; Y403-L464 HydrophobicContact CD2-CB 3.89Å; Y403-L464 HydrophobicContact CE2-CB 3.62Å; Y403-A465 HydrophobicContact CE1-CB 4.39Å; Y403-A465 HydrophobicContact CE2-CB 4.34Å; Y403-W468 VanDerWaalsContact CB-CH2 3.5Å; Y403-W468 VanDerWaalsContact CB-CZ3 3.42Å; Y403-W468 HydrophobicContact CD2-CZ3 4.13Å; Y403-W468 HydrophobicContact CG-CE3 4.47Å; Y403-W468 HydrophobicContact CG-CZ3 4.09Å; Y403-M491 HydrophobicContact CD1-CE 3.91Å; Y403-M491 HydrophobicContact CE1-CB 4.25Å; Y403-M491 HydrophobicContact CE1-CE 3.55Å; Y403-M491 PolarHBondContact OH-O 3.37Å; Y403-S495 PolarHBondContact OH-OG 2.96Å
404	N	98.1	Very high	97.6	Very high	15 Å²	15	43.8 Å²	43.8	8%	0.08	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-46.7	170.9	-71.2	-33.2	0	0	0	111.5	S373 L400 Q401 E408 I409 E410 Y411 W468	S373-N404 WeakPolarHBondContact CB-ND2 3.16Å; S373-N404 PolarHBondContact OG-ND2 3.47Å; L400-N404 PolarHBondContact O-N 3.16Å; L400-N404 VanDerWaalsContact O-N 3.11Å; L400-N404 PolarHBondContact O-ND2 3.42Å; L400-N404 VanDerWaalsContact O-ND2 3.07Å; Q401-N404 PolarHBondContact O-N 3Å; N404-E408 WeakPolarHBondContact O-CA 3.19Å; N404-E408 PolarHBondContact O-N 3.35Å; N404-E408 VanDerWaalsContact O-N 3.16Å; N404-I409 PolarHBondContact O-N 3.19Å; N404-E410 WeakPolarHBondContact OD1-CA 3.35Å; N404-Y411 PolarHBondContact OD1-N 3.29Å; N404-W468 WeakPolarHBondContact OD1-CZ2 3.45Å
405	E	96.7	Very high	97.6	Very high	119 Å²	119	41 Å²	41	56%	0.556	19%	0.192	S	C	*	.	H	α-helix	trans	-73.8	-34.8	179.9	-68	176	-161.6	0	0	113	Q401 F402 Y403	Q401-E405 WeakPolarHBondContact CG-OE1 3.35Å; Q401-E405 PolarHBondContact NE2-OE1 3Å; Q401-E405 WeakPolarHBondContact O-CG 3.29Å; Q401-E405 PolarHBondContact O-N 3.11Å; Q401-E405 VanDerWaalsContact O-N 3.08Å; F402-E405 PolarHBondContact O-N 2.88Å; Y403-E405 PolarHBondContact O-N 3.44Å
406	F	96.2	Very high	97.7	Very high	25 Å²	25	41 Å²	41	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-76.1	-41.7	-179.2	-173.9	-85.6	0	0	0	111.9	F402 Y403 M491 M494 K568	F402-F406 HydrophobicContact CD1-CB 4.45Å; F402-F406 HydrophobicContact CE1-CB 4.06Å; F402-F406 HydrophobicContact CE1-CD2 4.28Å; F402-F406 HydrophobicContact CE1-CG 4.19Å; F402-F406 HydrophobicContact CE2-CB 4.43Å; F402-F406 HydrophobicContact CE2-CD2 4.24Å; F402-F406 HydrophobicContact CZ-CB 4.06Å; F402-F406 AromaticContact CZ-CD2 3.66Å; F402-F406 HydrophobicContact CZ-CD2 3.66Å; F402-F406 HydrophobicContact CZ-CE2 4.42Å; F402-F406 HydrophobicContact CZ-CG 4.02Å; F402-F406 WeakPolarHBondContact O-CB 3.37Å; F402-F406 PolarHBondContact O-N 3.02Å; Y403-F406 PolarHBondContact O-N 3.41Å; F406-M491 HydrophobicContact CD1-CE 3.86Å; F406-M491 HydrophobicContact CE1-CE 3.82Å; F406-M491 HydrophobicContact CE1-SD 4.27Å; F406-M491 HydrophobicContact CZ-CE 4.46Å; F406-M494 HydrophobicContact CD1-CE 4.44Å; F406-M494 HydrophobicContact CD2-CE 4.1Å; F406-M494 HydrophobicContact CE1-CE 3.9Å; F406-M494 HydrophobicContact CE2-CE 3.51Å; F406-M494 HydrophobicContact CE2-SD 4.15Å; F406-M494 HydrophobicContact CZ-CE 3.39Å; F406-M494 HydrophobicContact CZ-SD 4.47Å; F406-K568 HydrophobicContact CD2-CD 4.43Å; F406-K568 HydrophobicContact CE1-CG 4.11Å; F406-K568 HydrophobicContact CE2-CD 4.14Å; F406-K568 HydrophobicContact CE2-CG 4.16Å; F406-K568 HydrophobicContact CZ-CB 4.34Å; F406-K568 HydrophobicContact CZ-CD 4.33Å; F406-K568 HydrophobicContact CZ-CG 3.83Å; F406-K568 WeakPolarHBondContact O-CE 3.44Å; F406-K568 PolarHBondContact O-NZ 3.43Å
407	F	97.1	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-87.5	-7.7	178.9	-60.2	-53.7	0	0	0	113.9	Y403 I409 W468 F469 M491 I571 L575	Y403-F407 HydrophobicContact CD1-CD2 4.32Å; Y403-F407 AromaticContact CD1-CE2 3.54Å; Y403-F407 HydrophobicContact CD1-CE2 3.54Å; Y403-F407 HydrophobicContact CD1-CZ 4.02Å; Y403-F407 HydrophobicContact CE1-CE2 4.42Å; Y403-F407 HydrophobicContact CG-CD2 4.45Å; Y403-F407 AromaticContact CG-CE2 3.89Å; Y403-F407 HydrophobicContact CG-CE2 3.89Å; Y403-F407 WeakPolarHBondContact O-CB 3.38Å; Y403-F407 WeakPolarHBondContact O-CD2 3.37Å; Y403-F407 PolarHBondContact O-N 3.42Å; F407-I409 HydrophobicContact CB-CB 4.34Å; F407-I409 WeakPolarHBondContact O-CG1 3.24Å; F407-I409 PolarHBondContact O-N 2.84Å; F407-I409 VanDerWaalsContact O-N 3.17Å; F407-W468 HydrophobicContact CD2-CB 4.13Å; F407-W468 AromaticContact CD2-CD1 3.64Å; F407-W468 AromaticContact CD2-CD2 3.49Å; F407-W468 HydrophobicContact CD2-CD2 3.49Å; F407-W468 VanDerWaalsContact CD2-CD2 3.49Å; F407-W468 AromaticContact CD2-CE2 3.69Å; F407-W468 HydrophobicContact CD2-CE3 4.04Å; F407-W468 AromaticContact CD2-CG 3.5Å; F407-W468 HydrophobicContact CD2-CG 3.5Å; F407-W468 VanDerWaalsContact CD2-CG 3.5Å; F407-W468 HydrophobicContact CD2-CZ2 4.39Å; F407-W468 AromaticContact CD2-NE1 3.73Å; F407-W468 HydrophobicContact CE2-CB 4Å; F407-W468 AromaticContact CE2-CD2 3.76Å; F407-W468 HydrophobicContact CE2-CD2 3.76Å; F407-W468 AromaticContact CE2-CE3 3.93Å; F407-W468 HydrophobicContact CE2-CE3 3.93Å; F407-W468 AromaticContact CE2-CG 3.79Å; F407-W468 HydrophobicContact CE2-CG 3.79Å; F407-W468 AromaticContact CG-CD1 4Å; F407-W468 HydrophobicContact CG-CG 4.22Å; F407-F469 HydrophobicContact CE1-CD2 4.47Å; F407-F469 AromaticContact CE1-CE2 3.56Å; F407-F469 HydrophobicContact CE1-CE2 3.56Å; F407-F469 HydrophobicContact CE1-CZ 4.17Å; F407-F469 HydrophobicContact CZ-CD2 4.04Å; F407-F469 AromaticContact CZ-CE2 3.53Å; F407-F469 HydrophobicContact CZ-CE2 3.53Å; F407-M491 HydrophobicContact CE1-CE 3.86Å; F407-M491 HydrophobicContact CE1-SD 4.19Å; F407-M491 HydrophobicContact CE2-CE 4.41Å; F407-M491 HydrophobicContact CZ-CE 3.51Å; F407-M491 HydrophobicContact CZ-CG 4.28Å; F407-M491 HydrophobicContact CZ-SD 4.1Å; F407-I571 HydrophobicContact CD1-CG2 4.04Å; F407-I571 HydrophobicContact CE1-CG2 3.95Å; F407-L575 HydrophobicContact CB-CD1 4.11Å; F407-L575 HydrophobicContact CD1-CD1 3.46Å; F407-L575 VanDerWaalsContact CD1-CD1 3.46Å; F407-L575 HydrophobicContact CD2-CD1 4.5Å; F407-L575 HydrophobicContact CE1-CD1 3.94Å; F407-L575 HydrophobicContact CG-CD1 3.79Å
408	E	97.1	Very high	97.7	Very high	134 Å²	134	40.5 Å²	40.5	63%	0.626	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.1	-173.4	-60.9	173.5	-152	0	0	111.8	N404 K568 I572	N404-E408 WeakPolarHBondContact O-CA 3.19Å; N404-E408 PolarHBondContact O-N 3.35Å; N404-E408 VanDerWaalsContact O-N 3.16Å; E408-K568 IonicContact OE1-NZ 2.71Å; E408-I572 HydrophobicContact CB-CD1 4.41Å; E408-I572 HydrophobicContact CB-CG2 4.41Å; E408-I572 HydrophobicContact CG-CD1 4.02Å; E408-I572 WeakPolarHBondContact OE1-CD1 3.46Å
409	I	97.1	Very high	97.7	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	17%	0.17	C	C	.	.			trans	-138.2	112.4	-176.7	-65.6	164.6	0	0	0	107.9	N404 F407 W468 L472 L575	N404-I409 PolarHBondContact O-N 3.19Å; F407-I409 HydrophobicContact CB-CB 4.34Å; F407-I409 WeakPolarHBondContact O-CG1 3.24Å; F407-I409 PolarHBondContact O-N 2.84Å; F407-I409 VanDerWaalsContact O-N 3.17Å; I409-W468 WeakPolarHBondContact O-CZ2 3.31Å; I409-W468 PolarHBondContact O-NE1 3.43Å; I409-W468 VanDerWaalsContact O-NE1 3.14Å; I409-L472 HydrophobicContact CG2-CD2 3.95Å; I409-L575 HydrophobicContact CD1-CB 3.49Å; I409-L575 VanDerWaalsContact CD1-CB 3.49Å; I409-L575 HydrophobicContact CD1-CD1 4.43Å
410	E	96.7	Very high	97.7	Very high	155 Å²	155	36.4 Å²	36.4	72%	0.724	17%	0.17	S	C	*	.			trans	-64	137.2	173.4	-64.2	-179.8	160.7	0	0	112.2	N404 R579	N404-E410 WeakPolarHBondContact OD1-CA 3.35Å; E410-R579 PolarHBondContact O-NH2 3Å
411	Y	97.9	Very high	97.6	Very high	13 Å²	13	36.4 Å²	36.4	5%	0.051	17%	0.17	C	C	.	.			trans	-54.7	125.4	169.3	177.9	-102.8	0	0	0	111	T375 L400 N404 L413 K415 L416 W432 G433 Q467	T375-Y411 HydrophobicContact CG2-CD1 3.77Å; T375-Y411 HydrophobicContact CG2-CE1 3.81Å; L400-Y411 HydrophobicContact CD1-CD1 4.44Å; L400-Y411 HydrophobicContact CD1-CD2 4.31Å; L400-Y411 HydrophobicContact CD1-CG 3.96Å; N404-Y411 PolarHBondContact OD1-N 3.29Å; Y411-L413 HydrophobicContact CD1-CB 4.46Å; Y411-L413 VanDerWaalsContact CD1-O 3.26Å; Y411-L413 WeakPolarHBondContact CD1-O 3.19Å; Y411-L413 HydrophobicContact CE1-CB 3.63Å; Y411-L413 HydrophobicContact CE1-CG 4.28Å; Y411-L413 WeakPolarHBondContact CE1-O 3.49Å; Y411-L413 PolarHBondContact O-N 2.95Å; Y411-K415 WeakPolarHBondContact CE1-O 3.3Å; Y411-K415 PolarHBondContact OH-O 3.33Å; Y411-L416 HydrophobicContact CE1-CB 4.22Å; Y411-L416 HydrophobicContact CE2-CD1 4.47Å; Y411-W432 AromaticContact CE2-CD1 3.93Å; Y411-W432 AromaticContact CE2-NE1 3.67Å; Y411-G433 WeakPolarHBondContact OH-CA 3.4Å; Y411-G433 PolarHBondContact OH-N 2.85Å; Y411-Q467 HydrophobicContact CD2-CB 4.03Å; Y411-Q467 HydrophobicContact CD2-CG 4.48Å; Y411-Q467 HydrophobicContact CE2-CB 3.93Å; Y411-Q467 HydrophobicContact CE2-CG 4.04Å
412	P	96.1	Very high	97.4	Very high	25 Å²	25	32 Å²	32	16%	0.162	15%	0.15	C	C	.	.	S	Bend	trans	-86	-3.9	-162.6	31.6	-36	0	0	0	116.2	N350 V351 W432 L472	N350-P412 PolarHBondContact ND2-O 3.42Å; V351-P412 HydrophobicContact CG1-CB 4.08Å; V351-P412 HydrophobicContact CG1-CG 4.29Å; P412-W432 HydrophobicContact CG-CH2 4.47Å; P412-W432 HydrophobicContact CG-CZ2 3.55Å; P412-L472 HydrophobicContact CG-CD1 4.43Å
413	L	97.4	Very high	97	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	15%	0.15	C	C	.	.	S	Bend	trans	-108.9	148.1	-177.3	-45.3	-172.8	0	0	0	110.6	M329 N350 V351 Y411 K415 W432	M329-L413 HydrophobicContact CE-CD2 4.41Å; M329-L413 HydrophobicContact SD-CD1 4.11Å; M329-L413 HydrophobicContact SD-CD2 3.87Å; M329-L413 HydrophobicContact SD-CG 4.49Å; N350-L413 VanDerWaalsContact OD1-CD2 3.28Å; N350-L413 WeakPolarHBondContact OD1-CD2 3.25Å; V351-L413 HydrophobicContact CG2-CD2 3.97Å; Y411-L413 HydrophobicContact CD1-CB 4.46Å; Y411-L413 VanDerWaalsContact CD1-O 3.26Å; Y411-L413 WeakPolarHBondContact CD1-O 3.19Å; Y411-L413 HydrophobicContact CE1-CB 3.63Å; Y411-L413 HydrophobicContact CE1-CG 4.28Å; Y411-L413 WeakPolarHBondContact CE1-O 3.49Å; Y411-L413 PolarHBondContact O-N 2.95Å; L413-K415 PolarHBondContact O-N 3.34Å; L413-W432 HydrophobicContact CD1-CB 4.5Å; L413-W432 HydrophobicContact CD1-CD2 4.49Å; L413-W432 HydrophobicContact CD1-CG 3.93Å
414	K	96.9	Very high	96.7	Very high	126 Å²	126	32 Å²	32	55%	0.548	15%	0.15	S	C	.	.	S	Bend	trans	-66.7	-17.7	-177.9	-61.1	171.3	-177.5	157	0	114.2	P330 E347 Q376	P330-K414 HydrophobicContact CG-CB 4.04Å; P330-K414 HydrophobicContact CG-CD 4.25Å; E347-K414 IonicContact OE1-NZ 2.73Å; E347-K414 PolarHBondContact OE1-NZ 3.46Å; E347-K414 IonicContact OE2-NZ 3.97Å; E347-K414 PolarHBondContact OE2-NZ 3.42Å; Q376-K414 PolarHBondContact N-O 2.98Å
415	K	98.3	Very high	96.3	Very high	12 Å²	12	33.8 Å²	33.8	5%	0.052	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.2	-176.5	69.6	92.2	179.6	-179.1	0	112.2	S327 N328 M329 P330 Q376 Y411 L413 D417 G433	S327-K415 PolarHBondContact O-NZ 3.13Å; N328-K415 WeakPolarHBondContact O-CE 3.48Å; N328-K415 PolarHBondContact O-NZ 3.45Å; M329-K415 WeakPolarHBondContact O-CE 3.47Å; P330-K415 HydrophobicContact CG-CG 3.85Å; Q376-K415 HydrophobicContact CB-CB 4.25Å; Q376-K415 CarbonylContact O-C 3.58Å; Q376-K415 WeakPolarHBondContact O-CA 3.33Å; Q376-K415 WeakPolarHBondContact O-CB 3.46Å; Y411-K415 WeakPolarHBondContact CE1-O 3.3Å; Y411-K415 PolarHBondContact OH-O 3.33Å; L413-K415 PolarHBondContact O-N 3.34Å; K415-D417 HydrophobicContact CD-CB 4.45Å; K415-D417 WeakPolarHBondContact CD-OD2 3.39Å; K415-D417 WeakPolarHBondContact CE-OD2 3.44Å; K415-D417 IonicContact NZ-OD2 2.72Å; K415-D417 PolarHBondContact NZ-OD2 2.94Å; K415-G433 WeakPolarHBondContact CE-O 3.41Å; K415-G433 PolarHBondContact NZ-O 2.8Å
416	L	98.8	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	107.2	172.6	-179.5	61.9	0	0	0	108.5	T375 Q376 V377 S378 L400 Y411 L418 I435 L464	T375-L416 HydrophobicContact CG2-CB 4.16Å; Q376-L416 PolarHBondContact O-N 3.1Å; V377-L416 WeakPolarHBondContact CA-O 3.44Å; S378-L416 PolarHBondContact N-O 2.98Å; L400-L416 HydrophobicContact CD1-CD2 4.2Å; L400-L416 HydrophobicContact CD2-CD2 4.3Å; Y411-L416 HydrophobicContact CE1-CB 4.22Å; Y411-L416 HydrophobicContact CE2-CD1 4.47Å; L416-L418 HydrophobicContact CG-CD1 4.16Å; L416-I435 HydrophobicContact CD1-CD1 3.72Å; L416-I435 HydrophobicContact CD1-CG1 4.07Å; L416-I435 HydrophobicContact CG-CD1 4.43Å; L416-L464 HydrophobicContact CD2-CD1 4.14Å; L416-L464 HydrophobicContact CD2-CD2 4.26Å; L416-L464 HydrophobicContact CD2-CG 4Å
417	D	98.9	Very high	95.7	Very high	9 Å²	9	31 Å²	31	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.2	178	-64.5	-23.8	0	0	0	109.9	S378 Y380 K415 G433 L434 I435	S378-D417 WeakPolarHBondContact CB-OD1 3.31Å; S378-D417 CarbonylContact O-C 3.5Å; S378-D417 WeakPolarHBondContact O-CA 3.23Å; S378-D417 PolarHBondContact OG-OD1 3.38Å; Y380-D417 HydrophobicContact CD2-CB 4.08Å; Y380-D417 HydrophobicContact CE2-CB 3.82Å; Y380-D417 VanDerWaalsContact CE2-CG 3.43Å; K415-D417 HydrophobicContact CD-CB 4.45Å; K415-D417 WeakPolarHBondContact CD-OD2 3.39Å; K415-D417 WeakPolarHBondContact CE-OD2 3.44Å; K415-D417 IonicContact NZ-OD2 2.72Å; K415-D417 PolarHBondContact NZ-OD2 2.94Å; D417-G433 PolarHBondContact N-O 3.12Å; D417-L434 HydrophobicContact CB-CD1 3.66Å; D417-L434 CarbonylContact O-C 3.59Å; D417-L434 WeakPolarHBondContact O-CA 3.45Å; D417-I435 PolarHBondContact O-N 2.91Å
418	L	98.9	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.7	171.8	-67.2	77.4	0	0	0	107.5	V377 S378 V379 Y380 A396 L416 I435 F437 L442 I460 L464	V377-L418 HydrophobicContact CG1-CD1 4Å; S378-L418 PolarHBondContact O-N 3.1Å; V379-L418 CarbonylContact C-O 3.54Å; V379-L418 WeakPolarHBondContact CA-O 3.45Å; V379-L418 HydrophobicContact CG2-CB 4.38Å; Y380-L418 PolarHBondContact N-O 3.28Å; A396-L418 HydrophobicContact CB-CD1 4.07Å; A396-L418 HydrophobicContact CB-CD2 3.78Å; L416-L418 HydrophobicContact CG-CD1 4.16Å; L418-I435 CarbonylContact C-O 3.45Å; L418-I435 WeakPolarHBondContact CA-O 3.45Å; L418-F437 HydrophobicContact CB-CD2 4.18Å; L418-F437 HydrophobicContact CB-CE2 3.63Å; L418-F437 HydrophobicContact CB-CZ 4.49Å; L418-F437 HydrophobicContact CD2-CE2 3.72Å; L418-F437 HydrophobicContact CD2-CZ 3.73Å; L418-F437 HydrophobicContact CG-CE2 3.67Å; L418-F437 HydrophobicContact CG-CZ 4.15Å; L418-L442 HydrophobicContact CB-CD1 4.05Å; L418-L442 HydrophobicContact CB-CD2 4.1Å; L418-L442 HydrophobicContact CD2-CD1 3.81Å; L418-I460 HydrophobicContact CD2-CG1 4.31Å; L418-I460 HydrophobicContact CD2-CG2 4.13Å; L418-L464 HydrophobicContact CD2-CD1 4.49Å
419	V	98.8	Very high	95.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.7	-169.3	-170.7	0	0	0	0	111.3	L326 F365 Y380 I421 L434 I435 T436 F437	L326-V419 HydrophobicContact CD1-CG2 4.05Å; F365-V419 HydrophobicContact CD2-CG1 3.95Å; F365-V419 HydrophobicContact CE2-CG1 3.55Å; Y380-V419 HydrophobicContact CD2-CG2 4.28Å; Y380-V419 HydrophobicContact CG-CG2 4.49Å; V419-I421 HydrophobicContact CB-CD1 4.43Å; V419-I421 HydrophobicContact CG1-CD1 3.64Å; V419-I421 HydrophobicContact CG1-CG1 4.46Å; V419-I421 PolarHBondContact O-N 2.97Å; V419-L434 HydrophobicContact CG2-CD1 3.47Å; V419-L434 VanDerWaalsContact CG2-CD1 3.47Å; V419-L434 HydrophobicContact CG2-CG 4.22Å; V419-I435 PolarHBondContact N-O 3.29Å; V419-T436 HydrophobicContact CB-CG2 4.46Å; V419-F437 PolarHBondContact O-N 2.98Å
420	A	98	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	112.5	171.7	0	0	0	0	0	110.6	Y380 E439 L442 L443	Y380-A420 PolarHBondContact O-N 2.77Å; A420-E439 HydrophobicContact CB-CG 4.22Å; A420-L442 HydrophobicContact CB-CD2 4Å; A420-L443 HydrophobicContact CB-CD1 3.79Å; A420-L443 HydrophobicContact CB-CD2 3.98Å; A420-L443 HydrophobicContact CB-CG 3.84Å
421	I	96.8	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.6	176.3	-52.9	-62.2	0	0	0	109.4	L287 A289 V361 F365 V419 D423 F424 T436 F437	L287-I421 HydrophobicContact CD1-CG2 4.48Å; A289-I421 HydrophobicContact CB-CD1 4.16Å; A289-I421 HydrophobicContact CB-CG2 4.48Å; V361-I421 HydrophobicContact CG1-CD1 4.41Å; V361-I421 HydrophobicContact CG2-CD1 4.18Å; F365-I421 HydrophobicContact CE2-CD1 4.16Å; F365-I421 HydrophobicContact CZ-CD1 4.35Å; V419-I421 HydrophobicContact CB-CD1 4.43Å; V419-I421 HydrophobicContact CG1-CD1 3.64Å; V419-I421 HydrophobicContact CG1-CG1 4.46Å; V419-I421 PolarHBondContact O-N 2.97Å; I421-D423 WeakPolarHBondContact CG2-O 3.42Å; I421-D423 PolarHBondContact O-N 2.96Å; I421-F424 HydrophobicContact CB-CB 4.23Å; I421-F424 HydrophobicContact CB-CD2 4.17Å; I421-F424 HydrophobicContact CG1-CD2 4.36Å; I421-F424 HydrophobicContact CG2-CB 4.46Å; I421-F424 HydrophobicContact CG2-CD2 4.43Å; I421-T436 HydrophobicContact CD1-CG2 4.43Å; I421-T436 HydrophobicContact CG1-CG2 4.13Å; I421-F437 PolarHBondContact N-O 3.31Å
422	P	92.7	Very high	96	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.019	10%	0.103	C	C	.	.	S	Bend	trans	-60.7	-40.1	-179.6	-27	36	0	0	0	115	Y277 L287 V382 E439 Q917 Q919	Y277-P422 HydrophobicContact CD1-CG 4.22Å; Y277-P422 HydrophobicContact CG-CG 4.46Å; L287-P422 HydrophobicContact CD2-CG 4.17Å; V382-P422 HydrophobicContact CG1-CG 4.2Å; P422-E439 WeakPolarHBondContact CA-OE2 3.49Å; P422-Q917 PolarHBondContact O-NE2 3.06Å; P422-Q919 PolarHBondContact O-NE2 2.97Å
423	D	90.3	Very high	96.1	Very high	19 Å²	19	16 Å²	16	10%	0.102	10%	0.095	C	C	.	.	S	Bend	trans	-113.3	100.2	178.2	-58.5	-63.4	0	0	0	109.3	Y269 Y273 S275 S276 I421 Q917	Y269-D423 HydrophobicContact CE1-CB 4.05Å; Y273-D423 WeakPolarHBondContact CE2-O 3.44Å; Y273-D423 PolarHBondContact OH-O 3.02Å; S275-D423 VanDerWaalsContact CA-OD2 3.31Å; S275-D423 WeakPolarHBondContact CA-OD2 3.38Å; S275-D423 VanDerWaalsContact CB-OD2 3.29Å; S275-D423 WeakPolarHBondContact CB-OD2 3.34Å; S275-D423 WeakPolarHBondContact OG-CB 3.41Å; S275-D423 PolarHBondContact OG-N 3.04Å; S275-D423 PolarHBondContact OG-OD2 3.08Å; S276-D423 PolarHBondContact N-OD2 3.24Å; I421-D423 WeakPolarHBondContact CG2-O 3.42Å; I421-D423 PolarHBondContact O-N 2.96Å; D423-Q917 PolarHBondContact OD1-NE2 3.5Å
424	F	92.8	Very high	96.2	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.013	9%	0.093	C	C	.	.			trans	-146	119.2	-175.9	-161.4	-97.5	0	0	0	110.7	Y273 I421 A426 M429 T436 R438 Q919	Y273-F424 WeakPolarHBondContact OH-CD2 3.09Å; I421-F424 HydrophobicContact CB-CB 4.23Å; I421-F424 HydrophobicContact CB-CD2 4.17Å; I421-F424 HydrophobicContact CG1-CD2 4.36Å; I421-F424 HydrophobicContact CG2-CB 4.46Å; I421-F424 HydrophobicContact CG2-CD2 4.43Å; F424-A426 HydrophobicContact CD1-CB 4.39Å; F424-A426 WeakPolarHBondContact CD1-O 3.38Å; F424-A426 HydrophobicContact CE1-CB 3.79Å; F424-M429 HydrophobicContact CZ-CB 3.78Å; F424-T436 WeakPolarHBondContact CE2-OG1 3.23Å; F424-R438 HydrophobicContact CB-CB 4.15Å; F424-R438 HydrophobicContact CB-CG 4.4Å; F424-R438 HydrophobicContact CD1-CB 4.27Å; F424-R438 WeakPolarHBondContact O-CD 3.48Å; F424-Q919 PolarHBondContact O-OE1 3.33Å
425	L	88.6	Confident	96.3	Very high	54 Å²	54	9.6 Å²	9.6	28%	0.283	7%	0.067	S	C	.	.	S	Bend	trans	-74.6	-38.2	-169.8	-175	61.6	0	0	0	114	Y269 F953 A959	Y269-L425 HydrophobicContact CD1-CB 4.19Å; Y269-L425 HydrophobicContact CD2-CB 4.16Å; Y269-L425 HydrophobicContact CD2-CD1 4.17Å; Y269-L425 HydrophobicContact CD2-CD2 4.26Å; Y269-L425 HydrophobicContact CD2-CG 4.45Å; Y269-L425 HydrophobicContact CG-CB 3.7Å; Y269-L425 HydrophobicContact CG-CD2 4.43Å; Y269-L425 HydrophobicContact CG-CG 4.46Å; L425-F953 HydrophobicContact CD1-CD1 3.71Å; L425-F953 HydrophobicContact CD1-CE1 3.55Å; L425-F953 HydrophobicContact CD2-CD1 3.96Å; L425-A959 HydrophobicContact CD1-CB 4.06Å; L425-A959 HydrophobicContact CD2-CB 4.44Å
426	A	89.7	Confident	96.3	Very high	49 Å²	49	9 Å²	9	41%	0.405	7%	0.065	S	C	.	.	S	Bend	trans	-83.9	-175.9	179.9	0	0	0	0	0	111.6	F424	F424-A426 HydrophobicContact CD1-CB 4.39Å; F424-A426 WeakPolarHBondContact CD1-O 3.38Å; F424-A426 HydrophobicContact CE1-CB 3.79Å
427	G	90.9	Very high	96.3	Very high	35 Å²	35	9 Å²	9	36%	0.361	7%	0.065	S	C	.	.	S	Bend	trans	-72	-52.2	170.4	0	0	0	0	0	111.3	R438 T441	G427-R438 PolarHBondContact O-N 2.95Å; G427-R438 VanDerWaalsContact O-N 3.13Å; G427-T441 PolarHBondContact O-OG1 3.42Å
428	A	97.9	Very high	96.1	Very high	12 Å²	12	9.4 Å²	9.4	10%	0.099	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-168.6	172.6	0	0	0	0	0	109.2	T436 F437 V459 E463	A428-T436 CarbonylContact C-O 3.6Å; A428-T436 VanDerWaalsContact C-O 3.31Å; A428-T436 WeakPolarHBondContact CA-O 3.42Å; A428-T436 VanDerWaalsContact CB-O 3.28Å; A428-T436 WeakPolarHBondContact CB-O 3.43Å; A428-F437 HydrophobicContact CB-CB 4.31Å; A428-F437 HydrophobicContact CB-CD1 3.54Å; A428-F437 HydrophobicContact CB-CE1 3.91Å; A428-F437 HydrophobicContact CB-CG 3.86Å; A428-V459 HydrophobicContact CB-CG1 3.59Å; A428-E463 HydrophobicContact CB-CG 3.51Å; A428-E463 WeakPolarHBondContact CB-OE1 3.36Å
429	M	98.4	Very high	96	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.015	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	132.4	178.4	170.2	75	-135.5	0	0	109.1	Q291 E293 Y356 L357 F424 N431 I435 T436 E463	Q291-M429 PolarHBondContact NE2-SD 3.41Å; Q291-M429 VanDerWaalsContact OE1-CB 3.27Å; Q291-M429 VanDerWaalsContact OE1-CG 3.23Å; E293-M429 HydrophobicContact CB-CE 3.76Å; E293-M429 HydrophobicContact CB-SD 3.48Å; E293-M429 WeakPolarHBondContact CB-SD 3.47Å; E293-M429 HydrophobicContact CG-CE 4.48Å; Y356-M429 HydrophobicContact CD2-CE 3.66Å; Y356-M429 HydrophobicContact CE2-CE 3.82Å; L357-M429 HydrophobicContact CD2-CE 4.02Å; F424-M429 HydrophobicContact CZ-CB 3.78Å; M429-N431 WeakPolarHBondContact CG-ND2 3.2Å; M429-N431 VanDerWaalsContact CG-OD1 3.23Å; M429-N431 WeakPolarHBondContact CG-OD1 3.34Å; M429-N431 PolarHBondContact O-N 2.97Å; M429-N431 PolarHBondContact O-ND2 3.35Å; M429-I435 WeakPolarHBondContact O-CA 3.05Å; M429-I435 VanDerWaalsContact O-CG2 3.3Å; M429-I435 WeakPolarHBondContact O-CG2 3.46Å; M429-T436 PolarHBondContact N-O 3.44Å; M429-T436 PolarHBondContact O-N 3.37Å; M429-T436 VanDerWaalsContact O-N 3.08Å; M429-E463 WeakPolarHBondContact CA-OE2 3.45Å; M429-E463 PolarHBondContact N-OE2 3.48Å
430	E	98.6	Very high	95.7	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.014	7%	0.072	C	C	.	.			trans	-81	14	-159.8	74.1	-98.9	-145.8	0	0	115.8	L357 W432 E463 H466 Q467 N471	L357-E430 HydrophobicContact CD2-CG 3.75Å; E430-W432 PolarHBondContact O-N 3.49Å; E430-E463 WeakPolarHBondContact CA-OE2 3.38Å; E430-E463 PolarHBondContact N-OE2 3.1Å; E430-H466 HydrophobicContact CB-CB 3.35Å; E430-H466 HydrophobicContact CG-CB 3.63Å; E430-H466 IonicContact OE1-ND1 2.87Å; E430-Q467 PolarHBondContact O-NE2 3.44Å; E430-N471 VanDerWaalsContact CG-OD1 3.31Å; E430-N471 WeakPolarHBondContact CG-OD1 3.37Å; E430-N471 PolarHBondContact O-ND2 3.39Å
431	N	98.8	Very high	95.7	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.075	C	C	.	.			trans	-45.8	124.8	-161	-36	-90.6	0	0	0	111.4	A359 M429 G433 L434 I435 T436	A359-N431 HydrophobicContact CB-CB 3.43Å; A359-N431 VanDerWaalsContact CB-CB 3.43Å; M429-N431 WeakPolarHBondContact CG-ND2 3.2Å; M429-N431 VanDerWaalsContact CG-OD1 3.23Å; M429-N431 WeakPolarHBondContact CG-OD1 3.34Å; M429-N431 PolarHBondContact O-N 2.97Å; M429-N431 PolarHBondContact O-ND2 3.35Å; N431-G433 PolarHBondContact O-N 3.23Å; N431-L434 WeakPolarHBondContact CB-O 3.43Å; N431-L434 PolarHBondContact ND2-O 2.84Å; N431-L434 VanDerWaalsContact ND2-O 3.16Å; N431-L434 CarbonylContact O-C 3.6Å; N431-L434 WeakPolarHBondContact O-CA 2.94Å; N431-L434 PolarHBondContact O-N 3.27Å; N431-I435 PolarHBondContact O-N 3.48Å; N431-T436 PolarHBondContact ND2-OG1 2.9Å; N431-T436 VanDerWaalsContact ND2-OG1 3.08Å
432	W	98.6	Very high	95.7	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	113.2	-159.7	-155.6	-7.1	0	0	0	112.4	N328 V351 M353 Y411 P412 L413 E430 L434 N471 L472	N328-W432 WeakPolarHBondContact CA-O 3.36Å; N328-W432 VanDerWaalsContact CB-O 3.24Å; N328-W432 WeakPolarHBondContact CB-O 3.33Å; N328-W432 PolarHBondContact ND2-O 3.4Å; V351-W432 HydrophobicContact CB-CH2 4.05Å; V351-W432 HydrophobicContact CB-CZ3 4.17Å; V351-W432 HydrophobicContact CG1-CH2 4.42Å; V351-W432 HydrophobicContact CG2-CD2 4.35Å; V351-W432 HydrophobicContact CG2-CE3 3.92Å; V351-W432 HydrophobicContact CG2-CH2 3.69Å; V351-W432 HydrophobicContact CG2-CZ2 4.16Å; V351-W432 HydrophobicContact CG2-CZ3 3.56Å; M353-W432 HydrophobicContact CB-CE3 3.6Å; M353-W432 HydrophobicContact CB-CZ3 3.88Å; M353-W432 HydrophobicContact SD-CB 4.35Å; M353-W432 HydrophobicContact SD-CE3 4.36Å; Y411-W432 AromaticContact CE2-CD1 3.93Å; Y411-W432 AromaticContact CE2-NE1 3.67Å; P412-W432 HydrophobicContact CG-CH2 4.47Å; P412-W432 HydrophobicContact CG-CZ2 3.55Å; L413-W432 HydrophobicContact CD1-CB 4.5Å; L413-W432 HydrophobicContact CD1-CD2 4.49Å; L413-W432 HydrophobicContact CD1-CG 3.93Å; E430-W432 PolarHBondContact O-N 3.49Å; W432-L434 VanDerWaalsContact C-N 3.32Å; W432-L434 PolarHBondContact O-N 3.39Å; W432-N471 WeakPolarHBondContact CA-ND2 3.29Å; W432-N471 HydrophobicContact CB-CB 4.41Å; W432-N471 HydrophobicContact CD2-CB 3.63Å; W432-N471 HydrophobicContact CE3-CB 3.88Å; W432-N471 HydrophobicContact CG-CB 3.9Å; W432-N471 HydrophobicContact CH2-CB 4.46Å; W432-N471 HydrophobicContact CZ2-CB 4.21Å; W432-N471 HydrophobicContact CZ3-CB 4.31Å; W432-N471 WeakPolarHBondContact CZ3-O 3.21Å; W432-L472 HydrophobicContact CH2-CB 4.36Å; W432-L472 HydrophobicContact CH2-CD1 3.89Å; W432-L472 HydrophobicContact CZ2-CB 4.29Å; W432-L472 HydrophobicContact CZ2-CD1 3.89Å
433	G	98.5	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.8	-176.6	0	0	0	0	0	116.5	Y411 K415 D417 N431	Y411-G433 WeakPolarHBondContact OH-CA 3.4Å; Y411-G433 PolarHBondContact OH-N 2.85Å; K415-G433 WeakPolarHBondContact CE-O 3.41Å; K415-G433 PolarHBondContact NZ-O 2.8Å; D417-G433 PolarHBondContact N-O 3.12Å; N431-G433 PolarHBondContact O-N 3.23Å
434	L	98.8	Very high	95.9	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	66.4	175.8	-171.2	70.4	0	0	0	110.2	L326 A359 V361 D417 V419 N431 W432 T436	L326-L434 HydrophobicContact CB-CD1 3.77Å; L326-L434 HydrophobicContact CB-CD2 4.05Å; L326-L434 HydrophobicContact CD1-CD1 4.11Å; A359-L434 HydrophobicContact CB-CB 4.46Å; A359-L434 HydrophobicContact CB-CD2 4.04Å; V361-L434 HydrophobicContact CG2-CD2 4.34Å; D417-L434 HydrophobicContact CB-CD1 3.66Å; D417-L434 CarbonylContact O-C 3.59Å; D417-L434 WeakPolarHBondContact O-CA 3.45Å; V419-L434 HydrophobicContact CG2-CD1 3.47Å; V419-L434 VanDerWaalsContact CG2-CD1 3.47Å; V419-L434 HydrophobicContact CG2-CG 4.22Å; N431-L434 WeakPolarHBondContact CB-O 3.43Å; N431-L434 PolarHBondContact ND2-O 2.84Å; N431-L434 VanDerWaalsContact ND2-O 3.16Å; N431-L434 CarbonylContact O-C 3.6Å; N431-L434 WeakPolarHBondContact O-CA 2.94Å; N431-L434 PolarHBondContact O-N 3.27Å; W432-L434 VanDerWaalsContact C-N 3.32Å; W432-L434 PolarHBondContact O-N 3.39Å; L434-T436 PolarHBondContact O-N 3.11Å
435	I	98.9	Very high	95.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.5	179.9	-55.7	169.8	0	0	0	108.4	L416 D417 L418 V419 M429 N431 F437 E463 L464	L416-I435 HydrophobicContact CD1-CD1 3.72Å; L416-I435 HydrophobicContact CD1-CG1 4.07Å; L416-I435 HydrophobicContact CG-CD1 4.43Å; D417-I435 PolarHBondContact O-N 2.91Å; L418-I435 CarbonylContact C-O 3.45Å; L418-I435 WeakPolarHBondContact CA-O 3.45Å; V419-I435 PolarHBondContact N-O 3.29Å; M429-I435 WeakPolarHBondContact O-CA 3.05Å; M429-I435 VanDerWaalsContact O-CG2 3.3Å; M429-I435 WeakPolarHBondContact O-CG2 3.46Å; N431-I435 PolarHBondContact O-N 3.48Å; I435-F437 HydrophobicContact CB-CE2 3.78Å; I435-F437 HydrophobicContact CB-CZ 4.46Å; I435-F437 HydrophobicContact CG2-CD2 3.89Å; I435-F437 HydrophobicContact CG2-CE2 3.18Å; I435-F437 HydrophobicContact CG2-CZ 3.57Å; I435-E463 HydrophobicContact CD1-CB 4.01Å; I435-E463 HydrophobicContact CG2-CB 3.6Å; I435-E463 HydrophobicContact CG2-CG 3.68Å; I435-L464 HydrophobicContact CD1-CD1 3.65Å
436	T	98.7	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134	179.1	47.6	0	0	0	0	110.2	V419 I421 F424 A428 M429 N431 L434	V419-T436 HydrophobicContact CB-CG2 4.46Å; I421-T436 HydrophobicContact CD1-CG2 4.43Å; I421-T436 HydrophobicContact CG1-CG2 4.13Å; F424-T436 WeakPolarHBondContact CE2-OG1 3.23Å; A428-T436 CarbonylContact C-O 3.6Å; A428-T436 VanDerWaalsContact C-O 3.31Å; A428-T436 WeakPolarHBondContact CA-O 3.42Å; A428-T436 VanDerWaalsContact CB-O 3.28Å; A428-T436 WeakPolarHBondContact CB-O 3.43Å; M429-T436 PolarHBondContact N-O 3.44Å; M429-T436 PolarHBondContact O-N 3.37Å; M429-T436 VanDerWaalsContact O-N 3.08Å; N431-T436 PolarHBondContact ND2-OG1 2.9Å; N431-T436 VanDerWaalsContact ND2-OG1 3.08Å; L434-T436 PolarHBondContact O-N 3.11Å
437	F	98.6	Very high	94.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.8	-178	-66	-106.8	0	0	0	110.3	L418 V419 I421 A428 I435 L442 V459 I460 E463	L418-F437 HydrophobicContact CB-CD2 4.18Å; L418-F437 HydrophobicContact CB-CE2 3.63Å; L418-F437 HydrophobicContact CB-CZ 4.49Å; L418-F437 HydrophobicContact CD2-CE2 3.72Å; L418-F437 HydrophobicContact CD2-CZ 3.73Å; L418-F437 HydrophobicContact CG-CE2 3.67Å; L418-F437 HydrophobicContact CG-CZ 4.15Å; V419-F437 PolarHBondContact O-N 2.98Å; I421-F437 PolarHBondContact N-O 3.31Å; A428-F437 HydrophobicContact CB-CB 4.31Å; A428-F437 HydrophobicContact CB-CD1 3.54Å; A428-F437 HydrophobicContact CB-CE1 3.91Å; A428-F437 HydrophobicContact CB-CG 3.86Å; I435-F437 HydrophobicContact CB-CE2 3.78Å; I435-F437 HydrophobicContact CB-CZ 4.46Å; I435-F437 HydrophobicContact CG2-CD2 3.89Å; I435-F437 HydrophobicContact CG2-CE2 3.18Å; I435-F437 HydrophobicContact CG2-CZ 3.57Å; F437-L442 HydrophobicContact CB-CB 3.67Å; F437-L442 HydrophobicContact CB-CD2 4.05Å; F437-L442 HydrophobicContact CB-CG 4.34Å; F437-L442 HydrophobicContact CD1-CB 4.05Å; F437-L442 HydrophobicContact CD1-CD1 4.01Å; F437-L442 HydrophobicContact CD2-CB 4.44Å; F437-L442 HydrophobicContact CD2-CD1 3.9Å; F437-L442 HydrophobicContact CD2-CD2 3.78Å; F437-L442 HydrophobicContact CD2-CG 4.27Å; F437-L442 HydrophobicContact CE1-CD1 4.05Å; F437-L442 HydrophobicContact CE2-CD1 3.93Å; F437-L442 HydrophobicContact CE2-CD2 4.44Å; F437-L442 HydrophobicContact CG-CB 3.83Å; F437-L442 HydrophobicContact CG-CD1 3.95Å; F437-L442 HydrophobicContact CG-CD2 3.99Å; F437-L442 HydrophobicContact CG-CG 4.15Å; F437-L442 HydrophobicContact CZ-CD1 4.03Å; F437-V459 HydrophobicContact CD1-CG1 3.94Å; F437-V459 HydrophobicContact CE1-CG1 3.86Å; F437-I460 HydrophobicContact CE1-CG1 3.82Å; F437-I460 HydrophobicContact CZ-CG1 4.08Å; F437-E463 HydrophobicContact CE1-CG 3.83Å; F437-E463 HydrophobicContact CZ-CB 4.09Å; F437-E463 HydrophobicContact CZ-CG 3.8Å
438	R	96	Very high	93.9	Very high	17 Å²	17	18.3 Å²	18.3	6%	0.064	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.9	157	-166.7	169.3	-171.6	-95.4	-11.9	110.4	F424 G427 T440 T441 L442 Q919 E920	F424-R438 HydrophobicContact CB-CB 4.15Å; F424-R438 HydrophobicContact CB-CG 4.4Å; F424-R438 HydrophobicContact CD1-CB 4.27Å; F424-R438 WeakPolarHBondContact O-CD 3.48Å; G427-R438 PolarHBondContact O-N 2.95Å; G427-R438 VanDerWaalsContact O-N 3.13Å; R438-T440 VanDerWaalsContact NH1-CG2 3.26Å; R438-T440 PolarHBondContact NH1-OG1 2.97Å; R438-T440 PolarHBondContact O-N 3.27Å; R438-T440 VanDerWaalsContact O-N 3.12Å; R438-T441 PolarHBondContact N-OG1 3.31Å; R438-T441 PolarHBondContact O-N 2.96Å; R438-T441 PolarHBondContact O-OG1 3.05Å; R438-L442 PolarHBondContact O-N 3.26Å; R438-Q919 VanDerWaalsContact NE-OE1 3.12Å; R438-Q919 VanDerWaalsContact NH2-CD 3.33Å; R438-E920 IonicContact CZ-OE1 2.71Å; R438-E920 IonicContact NE-OE1 3.9Å; R438-E920 IonicContact NH1-OE1 2.68Å; R438-E920 PolarHBondContact NH1-OE1 2.95Å; R438-E920 IonicContact NH2-OE1 3.81Å; R438-E920 PolarHBondContact NH2-OE1 3.45Å
439	E	94.9	Very high	93.2	Very high	8 Å²	8	18.3 Å²	18.3	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-55.3	-37.1	179.9	-57.6	-164.5	96.3	0	0	112.7	K385 A420 P422 T441 L442 L443	K385-E439 WeakPolarHBondContact CD-OE1 3.44Å; K385-E439 WeakPolarHBondContact CE-OE1 3.4Å; K385-E439 IonicContact NZ-OE1 2.69Å; K385-E439 PolarHBondContact NZ-OE1 3Å; K385-E439 IonicContact NZ-OE2 3.83Å; K385-E439 PolarHBondContact NZ-OE2 2.81Å; A420-E439 HydrophobicContact CB-CG 4.22Å; P422-E439 WeakPolarHBondContact CA-OE2 3.49Å; E439-T441 VanDerWaalsContact C-N 3.25Å; E439-T441 PolarHBondContact O-N 3.44Å; E439-L442 PolarHBondContact O-N 3.17Å; E439-L443 HydrophobicContact CB-CD1 4.14Å; E439-L443 HydrophobicContact CG-CD1 4.39Å; E439-L443 WeakPolarHBondContact O-CB 3.43Å; E439-L443 PolarHBondContact O-N 2.76Å
440	T	93.9	Very high	92.7	Very high	15 Å²	15	19.3 Å²	19.3	9%	0.092	10%	0.098	C	C	.	.	H	α-helix	trans	-71.9	-8.6	178.7	60.8	0	0	0	0	115.8	R438 D884	R438-T440 VanDerWaalsContact NH1-CG2 3.26Å; R438-T440 PolarHBondContact NH1-OG1 2.97Å; R438-T440 PolarHBondContact O-N 3.27Å; R438-T440 VanDerWaalsContact O-N 3.12Å; T440-D884 HydrophobicContact CG2-CB 3.67Å
441	T	96.4	Very high	92.2	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.067	11%	0.106	C	C	.	.	H	α-helix	trans	-112.4	1.2	179.7	48.7	0	0	0	0	112.5	G427 R438 E439 V459	G427-T441 PolarHBondContact O-OG1 3.42Å; R438-T441 PolarHBondContact N-OG1 3.31Å; R438-T441 PolarHBondContact O-N 2.96Å; R438-T441 PolarHBondContact O-OG1 3.05Å; E439-T441 VanDerWaalsContact C-N 3.25Å; E439-T441 PolarHBondContact O-N 3.44Å; T441-V459 HydrophobicContact CG2-CG2 3.96Å
442	L	97.6	Very high	91.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-128.9	-36.1	176.3	-168.4	65.2	0	0	0	113.9	V379 A392 L418 A420 F437 R438 E439 I460	V379-L442 HydrophobicContact CG1-CD2 3.9Å; V379-L442 HydrophobicContact CG1-CG 4.17Å; A392-L442 HydrophobicContact CB-CD1 3.57Å; A392-L442 HydrophobicContact CB-CG 4.13Å; A392-L442 WeakPolarHBondContact CB-O 3.48Å; L418-L442 HydrophobicContact CB-CD1 4.05Å; L418-L442 HydrophobicContact CB-CD2 4.1Å; L418-L442 HydrophobicContact CD2-CD1 3.81Å; A420-L442 HydrophobicContact CB-CD2 4Å; F437-L442 HydrophobicContact CB-CB 3.67Å; F437-L442 HydrophobicContact CB-CD2 4.05Å; F437-L442 HydrophobicContact CB-CG 4.34Å; F437-L442 HydrophobicContact CD1-CB 4.05Å; F437-L442 HydrophobicContact CD1-CD1 4.01Å; F437-L442 HydrophobicContact CD2-CB 4.44Å; F437-L442 HydrophobicContact CD2-CD1 3.9Å; F437-L442 HydrophobicContact CD2-CD2 3.78Å; F437-L442 HydrophobicContact CD2-CG 4.27Å; F437-L442 HydrophobicContact CE1-CD1 4.05Å; F437-L442 HydrophobicContact CE2-CD1 3.93Å; F437-L442 HydrophobicContact CE2-CD2 4.44Å; F437-L442 HydrophobicContact CG-CB 3.83Å; F437-L442 HydrophobicContact CG-CD1 3.95Å; F437-L442 HydrophobicContact CG-CD2 3.99Å; F437-L442 HydrophobicContact CG-CG 4.15Å; F437-L442 HydrophobicContact CZ-CD1 4.03Å; R438-L442 PolarHBondContact O-N 3.26Å; E439-L442 PolarHBondContact O-N 3.17Å; L442-I460 HydrophobicContact CD1-CD1 4.02Å; L442-I460 HydrophobicContact CD1-CG1 4.09Å
443	L	95.8	Very high	91.5	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	13%	0.129	C	C	.	.			trans	-99	133.8	-170.9	-55.1	-176.2	0	0	0	111.7	K385 Q388 T389 A420 E439	K385-L443 HydrophobicContact CB-CD1 3.95Å; K385-L443 HydrophobicContact CD-CD1 3.79Å; Q388-L443 HydrophobicContact CB-CB 3.95Å; T389-L443 HydrophobicContact CG2-CD2 3.83Å; A420-L443 HydrophobicContact CB-CD1 3.79Å; A420-L443 HydrophobicContact CB-CD2 3.98Å; A420-L443 HydrophobicContact CB-CG 3.84Å; E439-L443 HydrophobicContact CB-CD1 4.14Å; E439-L443 HydrophobicContact CG-CD1 4.39Å; E439-L443 WeakPolarHBondContact O-CB 3.43Å; E439-L443 PolarHBondContact O-N 2.76Å
444	L	92.4	Very high	91.3	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.073	13%	0.131	C	C	.	.			trans	-130.1	123.8	175.7	-65.9	179.3	0	0	0	111.4	Q388 F391 E452 K453 V456	Q388-L444 WeakPolarHBondContact CA-O 3.2Å; Q388-L444 WeakPolarHBondContact CB-O 3.49Å; Q388-L444 PolarHBondContact O-N 2.98Å; F391-L444 HydrophobicContact CB-CD1 4.1Å; F391-L444 HydrophobicContact CD1-CD1 3.33Å; F391-L444 HydrophobicContact CD1-CG 4.42Å; F391-L444 HydrophobicContact CE1-CD1 3.81Å; F391-L444 HydrophobicContact CG-CD1 3.74Å; L444-E452 HydrophobicContact CD2-CB 4.01Å; L444-K453 HydrophobicContact CD1-CB 4.27Å; L444-K453 HydrophobicContact CD1-CG 3.62Å; L444-V456 HydrophobicContact CD1-CB 4.17Å; L444-V456 HydrophobicContact CD1-CG1 4.31Å; L444-V456 HydrophobicContact CD1-CG2 4.29Å; L444-V456 HydrophobicContact CD2-CB 4.35Å; L444-V456 HydrophobicContact CD2-CG2 3.62Å; L444-V456 HydrophobicContact CG-CB 4.26Å; L444-V456 HydrophobicContact CG-CG1 4.36Å; L444-V456 HydrophobicContact CG-CG2 3.88Å
445	D	84.9	Confident	91	Very high	41 Å²	41	29.8 Å²	29.8	22%	0.219	15%	0.152	C	C	.	.			trans	-73.6	160	166.6	178	45.1	0	0	0	111.6	N447 S448 N883	D445-N447 PolarHBondContact O-N 3.21Å; D445-N447 VanDerWaalsContact OD2-CB 3.31Å; D445-N447 WeakPolarHBondContact OD2-CB 3.47Å; D445-N447 PolarHBondContact OD2-N 3.38Å; D445-N447 PolarHBondContact OD2-ND2 2.92Å; D445-S448 PolarHBondContact N-OG 3.41Å; D445-S448 WeakPolarHBondContact O-CB 3.31Å; D445-S448 PolarHBondContact O-N 2.76Å; D445-S448 PolarHBondContact O-OG 2.9Å; D445-N883 WeakPolarHBondContact CB-ND2 3.2Å
446	K	77.6	Confident	90.9	Very high	164 Å²	164	29.8 Å²	29.8	71%	0.713	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.6	174	-64.9	165.9	-171.6	160	0	112.9	E387	E387-K446 WeakPolarHBondContact OE2-CE 3.42Å; E387-K446 IonicContact OE2-NZ 3.26Å; E387-K446 PolarHBondContact OE2-NZ 3.03Å
447	N	74.3	Confident	90.8	Very high	76 Å²	76	29.8 Å²	29.8	41%	0.406	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.3	-179.9	-64.5	-68.9	0	0	0	115.6	D445	D445-N447 PolarHBondContact O-N 3.21Å; D445-N447 VanDerWaalsContact OD2-CB 3.31Å; D445-N447 WeakPolarHBondContact OD2-CB 3.47Å; D445-N447 PolarHBondContact OD2-N 3.38Å; D445-N447 PolarHBondContact OD2-ND2 2.92Å
448	S	83.2	Confident	90.8	Very high	13 Å²	13	30 Å²	30	9%	0.091	15%	0.154	C	C	.	.			trans	-63.5	142.2	-175.6	-47.4	0	0	0	0	112.4	D445	D445-S448 PolarHBondContact N-OG 3.41Å; D445-S448 WeakPolarHBondContact O-CB 3.31Å; D445-S448 PolarHBondContact O-N 2.76Å; D445-S448 PolarHBondContact O-OG 2.9Å
449	S	83.3	Confident	90.9	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.084	16%	0.158	C	C	.	.			trans	-70	171	179.4	75.8	0	0	0	0	112.8	L451 E452 K453	S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact OG-N 3.29Å; S449-E452 WeakPolarHBondContact CB-OE2 3.48Å; S449-E452 PolarHBondContact N-OE2 3.1Å; S449-E452 PolarHBondContact O-N 3.12Å; S449-E452 PolarHBondContact OG-N 3.39Å; S449-E452 VanDerWaalsContact OG-N 3.08Å; S449-E452 PolarHBondContact OG-OE2 2.87Å; S449-K453 PolarHBondContact O-N 2.81Å
450	S	87.7	Confident	91.1	Very high	24 Å²	24	30.1 Å²	30.1	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-33.5	173.5	-53.1	0	0	0	0	110.7	K453 Q454 Q809 L811 Q814	S450-K453 WeakPolarHBondContact O-CB 3.06Å; S450-K453 PolarHBondContact O-N 2.73Å; S450-Q454 PolarHBondContact O-N 2.67Å; S450-Q809 PolarHBondContact OG-O 3.08Å; S450-L811 VanDerWaalsContact O-CD1 3.3Å; S450-L811 WeakPolarHBondContact O-CD1 3.12Å; S450-Q814 VanDerWaalsContact CB-OE1 3.29Å; S450-Q814 PolarHBondContact OG-NE2 2.83Å
451	L	87.8	Confident	91.3	Very high	33 Å²	33	29.4 Å²	29.4	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-40.9	172.9	-58.8	171.5	0	0	0	112.2	S449 K453 Q454 V455 L811 Q814 E815 D855	S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact OG-N 3.29Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-Q454 PolarHBondContact O-N 3.21Å; L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.88Å; L451-L811 HydrophobicContact CD2-CD1 4.5Å; L451-L811 HydrophobicContact CD2-CD2 3.93Å; L451-L811 HydrophobicContact CD2-CG 3.94Å; L451-Q814 HydrophobicContact CD1-CB 4.15Å; L451-Q814 HydrophobicContact CG-CB 4.16Å; L451-E815 HydrophobicContact CD2-CB 3.96Å; L451-D855 HydrophobicContact CD1-CB 4.09Å
452	E	89.3	Confident	91.4	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.131	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-37.8	175.9	-72.6	166.1	125	0	0	111.4	L444 S449 V455 V456 A885 K889	L444-E452 HydrophobicContact CD2-CB 4.01Å; S449-E452 WeakPolarHBondContact CB-OE2 3.48Å; S449-E452 PolarHBondContact N-OE2 3.1Å; S449-E452 PolarHBondContact O-N 3.12Å; S449-E452 PolarHBondContact OG-N 3.39Å; S449-E452 VanDerWaalsContact OG-N 3.08Å; S449-E452 PolarHBondContact OG-OE2 2.87Å; E452-V455 PolarHBondContact O-N 3.14Å; E452-V456 WeakPolarHBondContact O-CG2 3.36Å; E452-V456 PolarHBondContact O-N 2.95Å; E452-V456 VanDerWaalsContact O-N 3.1Å; E452-A885 WeakPolarHBondContact OE1-CB 3.44Å; E452-K889 WeakPolarHBondContact OE1-CE 3.39Å; E452-K889 IonicContact OE1-NZ 3.69Å; E452-K889 PolarHBondContact OE1-NZ 3Å; E452-K889 IonicContact OE2-NZ 3.71Å; E452-K889 PolarHBondContact OE2-NZ 2.83Å
453	K	92.5	Very high	91.5	Very high	81 Å²	81	30 Å²	30	35%	0.352	15%	0.154	S	C	.	.	H	α-helix	trans	-63.1	-41.6	172.2	-71.5	167.2	-175.5	176.5	0	112.8	F391 L444 S449 S450 L451 V456 A457 L503	F391-K453 HydrophobicContact CE1-CB 4.44Å; F391-K453 HydrophobicContact CE2-CB 4.46Å; F391-K453 HydrophobicContact CE2-CG 4.4Å; F391-K453 HydrophobicContact CZ-CB 4.04Å; F391-K453 HydrophobicContact CZ-CG 4.35Å; L444-K453 HydrophobicContact CD1-CB 4.27Å; L444-K453 HydrophobicContact CD1-CG 3.62Å; S449-K453 PolarHBondContact O-N 2.81Å; S450-K453 WeakPolarHBondContact O-CB 3.06Å; S450-K453 PolarHBondContact O-N 2.73Å; L451-K453 VanDerWaalsContact C-N 3.34Å; K453-V456 PolarHBondContact O-N 2.69Å; K453-A457 VanDerWaalsContact O-CB 3.3Å; K453-A457 WeakPolarHBondContact O-CB 3.38Å; K453-A457 PolarHBondContact O-N 3.42Å; K453-L503 HydrophobicContact CB-CD2 4.24Å
454	Q	93.8	Very high	91.6	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.051	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-47.4	176.9	-176.4	-166.4	60.8	0	0	110.9	S450 L451 V456 A457 S458 L503 T505 L508 L811	S450-Q454 PolarHBondContact O-N 2.67Å; L451-Q454 PolarHBondContact O-N 3.21Å; Q454-V456 PolarHBondContact O-N 2.87Å; Q454-A457 PolarHBondContact O-N 2.88Å; Q454-S458 VanDerWaalsContact O-CB 3.28Å; Q454-S458 WeakPolarHBondContact O-CB 3.45Å; Q454-S458 PolarHBondContact O-N 3.11Å; Q454-S458 PolarHBondContact O-OG 3.2Å; Q454-L503 HydrophobicContact CB-CD2 4.44Å; Q454-L503 HydrophobicContact CG-CB 4.47Å; Q454-L503 PolarHBondContact NE2-O 3.48Å; Q454-T505 HydrophobicContact CG-CG2 4.21Å; Q454-L508 HydrophobicContact CG-CD2 4.23Å; Q454-L811 HydrophobicContact CB-CD1 3.65Å; Q454-L811 HydrophobicContact CG-CD1 4.21Å
455	V	93.6	Very high	91.9	Very high	70 Å²	70	29 Å²	29	42%	0.424	15%	0.149	S	C	.	.	H	α-helix	trans	-59.8	-45.5	177.4	172.6	0	0	0	0	112.1	L451 E452 S458 V459	L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.88Å; E452-V455 PolarHBondContact O-N 3.14Å; V455-S458 WeakPolarHBondContact O-CB 3.49Å; V455-S458 PolarHBondContact O-N 2.73Å; V455-V459 WeakPolarHBondContact O-CG2 3.33Å; V455-V459 PolarHBondContact O-N 3.47Å; V455-V459 VanDerWaalsContact O-N 3.09Å
456	V	96.5	Very high	92.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-43	178.6	169.9	0	0	0	0	111.6	F391 L444 E452 K453 Q454 V459 I460	F391-V456 HydrophobicContact CD1-CG1 3.98Å; F391-V456 HydrophobicContact CE1-CB 4.35Å; F391-V456 HydrophobicContact CE1-CG1 4.07Å; L444-V456 HydrophobicContact CD1-CB 4.17Å; L444-V456 HydrophobicContact CD1-CG1 4.31Å; L444-V456 HydrophobicContact CD1-CG2 4.29Å; L444-V456 HydrophobicContact CD2-CB 4.35Å; L444-V456 HydrophobicContact CD2-CG2 3.62Å; L444-V456 HydrophobicContact CG-CB 4.26Å; L444-V456 HydrophobicContact CG-CG1 4.36Å; L444-V456 HydrophobicContact CG-CG2 3.88Å; E452-V456 WeakPolarHBondContact O-CG2 3.36Å; E452-V456 PolarHBondContact O-N 2.95Å; E452-V456 VanDerWaalsContact O-N 3.1Å; K453-V456 PolarHBondContact O-N 2.69Å; Q454-V456 PolarHBondContact O-N 2.87Å; V456-V459 PolarHBondContact O-N 2.65Å; V456-I460 HydrophobicContact CG1-CD1 3.69Å; V456-I460 HydrophobicContact CG1-CG1 4.45Å; V456-I460 WeakPolarHBondContact O-CD1 3.44Å; V456-I460 WeakPolarHBondContact O-CG1 3.46Å; V456-I460 PolarHBondContact O-N 3.11Å
457	A	97.7	Very high	93.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-40.8	176.6	0	0	0	0	0	112.4	F391 T395 K453 Q454 I460 A461 L496 L500 L503	F391-A457 HydrophobicContact CE1-CB 4.19Å; F391-A457 HydrophobicContact CZ-CB 4.17Å; T395-A457 HydrophobicContact CG2-CB 4.13Å; K453-A457 VanDerWaalsContact O-CB 3.3Å; K453-A457 WeakPolarHBondContact O-CB 3.38Å; K453-A457 PolarHBondContact O-N 3.42Å; Q454-A457 PolarHBondContact O-N 2.88Å; A457-I460 PolarHBondContact O-N 2.65Å; A457-A461 WeakPolarHBondContact O-CB 3.46Å; A457-A461 PolarHBondContact O-N 3.33Å; A457-L496 HydrophobicContact CB-CD1 4.36Å; A457-L496 HydrophobicContact CB-CD2 3.96Å; A457-L500 HydrophobicContact CB-CD1 4.35Å; A457-L503 HydrophobicContact CB-CD1 3.47Å; A457-L503 VanDerWaalsContact CB-CD1 3.47Å
458	S	97.5	Very high	94.8	Very high	5 Å²	5	15.8 Å²	15.8	4%	0.035	9%	0.086	C	C	.	.	H	α-helix	trans	-53.2	-57.5	173	-92.6	0	0	0	0	111.9	Q454 V455 I460 A461 H462 E492	Q454-S458 VanDerWaalsContact O-CB 3.28Å; Q454-S458 WeakPolarHBondContact O-CB 3.45Å; Q454-S458 PolarHBondContact O-N 3.11Å; Q454-S458 PolarHBondContact O-OG 3.2Å; V455-S458 WeakPolarHBondContact O-CB 3.49Å; V455-S458 PolarHBondContact O-N 2.73Å; S458-I460 PolarHBondContact O-N 3.01Å; S458-A461 PolarHBondContact O-N 3.1Å; S458-A461 VanDerWaalsContact O-N 3.15Å; S458-H462 PolarHBondContact O-N 3.49Å; S458-E492 WeakPolarHBondContact CB-OE1 3.47Å; S458-E492 WeakPolarHBondContact O-CG 3.48Å; S458-E492 PolarHBondContact OG-OE1 3.02Å
459	V	98.4	Very high	95.5	Very high	27 Å²	27	15.2 Å²	15.2	16%	0.164	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-43.4	-177.9	-177.1	0	0	0	0	110.6	A428 F437 T441 V455 V456 A461 H462 E463	A428-V459 HydrophobicContact CB-CG1 3.59Å; F437-V459 HydrophobicContact CD1-CG1 3.94Å; F437-V459 HydrophobicContact CE1-CG1 3.86Å; T441-V459 HydrophobicContact CG2-CG2 3.96Å; V455-V459 WeakPolarHBondContact O-CG2 3.33Å; V455-V459 PolarHBondContact O-N 3.47Å; V455-V459 VanDerWaalsContact O-N 3.09Å; V456-V459 PolarHBondContact O-N 2.65Å; V459-A461 VanDerWaalsContact C-N 3.27Å; V459-A461 PolarHBondContact O-N 3.45Å; V459-H462 PolarHBondContact O-N 3.04Å; V459-E463 HydrophobicContact CG1-CG 4.18Å; V459-E463 VanDerWaalsContact O-CG 3.31Å; V459-E463 WeakPolarHBondContact O-CG 3.35Å; V459-E463 PolarHBondContact O-N 3.33Å
460	I	98.8	Very high	96.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-38.4	176.2	-63.9	168.5	0	0	0	111.8	A392 T395 A396 L399 L418 F437 L442 V456 A457 S458 L464	A392-I460 HydrophobicContact CB-CD1 3.64Å; T395-I460 HydrophobicContact CG2-CB 4.49Å; T395-I460 HydrophobicContact CG2-CD1 4.46Å; T395-I460 HydrophobicContact CG2-CG2 4.29Å; A396-I460 HydrophobicContact CB-CG2 3.89Å; L399-I460 HydrophobicContact CD1-CB 4.31Å; L399-I460 HydrophobicContact CD1-CG2 3.69Å; L418-I460 HydrophobicContact CD2-CG1 4.31Å; L418-I460 HydrophobicContact CD2-CG2 4.13Å; F437-I460 HydrophobicContact CE1-CG1 3.82Å; F437-I460 HydrophobicContact CZ-CG1 4.08Å; L442-I460 HydrophobicContact CD1-CD1 4.02Å; L442-I460 HydrophobicContact CD1-CG1 4.09Å; V456-I460 HydrophobicContact CG1-CD1 3.69Å; V456-I460 HydrophobicContact CG1-CG1 4.45Å; V456-I460 WeakPolarHBondContact O-CD1 3.44Å; V456-I460 WeakPolarHBondContact O-CG1 3.46Å; V456-I460 PolarHBondContact O-N 3.11Å; A457-I460 PolarHBondContact O-N 2.65Å; S458-I460 PolarHBondContact O-N 3.01Å; I460-L464 HydrophobicContact CG2-CD1 4.02Å; I460-L464 WeakPolarHBondContact O-CB 3.15Å; I460-L464 WeakPolarHBondContact O-CD1 3.33Å; I460-L464 PolarHBondContact O-N 2.69Å
461	A	98.8	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.7	-44.3	176.7	0	0	0	0	0	112.5	L399 Y403 A457 S458 V459 L464 A465 E492 L496	L399-A461 HydrophobicContact CD1-CB 3.88Å; L399-A461 HydrophobicContact CD2-CB 3.83Å; Y403-A461 PolarHBondContact OH-O 3.43Å; Y403-A461 VanDerWaalsContact OH-O 3.06Å; A457-A461 WeakPolarHBondContact O-CB 3.46Å; A457-A461 PolarHBondContact O-N 3.33Å; S458-A461 PolarHBondContact O-N 3.1Å; S458-A461 VanDerWaalsContact O-N 3.15Å; V459-A461 VanDerWaalsContact C-N 3.27Å; V459-A461 PolarHBondContact O-N 3.45Å; A461-L464 PolarHBondContact O-N 2.71Å; A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 2.88Å; A461-E492 HydrophobicContact CB-CB 4.4Å; A461-E492 HydrophobicContact CB-CG 4.37Å; A461-L496 HydrophobicContact CB-CD1 3.95Å; A461-L496 HydrophobicContact CB-CD2 4.2Å; A461-L496 HydrophobicContact CB-CG 3.89Å
462	H	98.8	Very high	97.2	Very high	15 Å²	15	12.1 Å²	12.1	7%	0.069	6%	0.062	C	C	.	.	H	α-helix	trans	-56	-53	174.2	-171.3	89.7	0	0	0	111.4	S458 V459 L464 A465 H466 E485 A488 T489 E492 Y547	S458-H462 PolarHBondContact O-N 3.49Å; V459-H462 PolarHBondContact O-N 3.04Å; H462-L464 VanDerWaalsContact C-N 3.35Å; H462-L464 PolarHBondContact O-N 3.35Å; H462-A465 WeakPolarHBondContact O-CB 3.45Å; H462-A465 PolarHBondContact O-N 3.46Å; H462-H466 AromaticContact CD2-CD2 3.52Å; H462-H466 AromaticContact CD2-NE2 3.3Å; H462-H466 PolarHBondContact CD2-NE2 2.97Å; H462-H466 VanDerWaalsContact CD2-NE2 3.3Å; H462-H466 AromaticContact CE1-NE2 3.78Å; H462-H466 AromaticContact NE2-CD2 3.64Å; H462-H466 AromaticContact NE2-CE1 3.86Å; H462-H466 AromaticContact NE2-NE2 2.88Å; H462-H466 PolarHBondContact NE2-NE2 3Å; H462-H466 PolarHBondContact O-CD2 3.43Å; H462-H466 PolarHBondContact O-N 3.32Å; H462-H466 VanDerWaalsContact O-N 3.12Å; H462-E485 IonicContact CE1-OE2 2.75Å; H462-E485 PolarHBondContact CE1-OE2 3.16Å; H462-E485 VanDerWaalsContact CE1-OE2 3.26Å; H462-E485 IonicContact NE2-OE2 3.82Å; H462-E485 PolarHBondContact NE2-OE2 2.96Å; H462-A488 WeakPolarHBondContact CE1-CB 3.1Å; H462-A488 VanDerWaalsContact ND1-C 3.32Å; H462-T489 PolarHBondContact CE1-OG1 2.99Å; H462-T489 PolarHBondContact ND1-N 3.31Å; H462-T489 VanDerWaalsContact ND1-N 3.2Å; H462-E492 HydrophobicContact CB-CB 4.43Å; H462-Y547 AromaticContact CE1-CD1 3.92Å; H462-Y547 AromaticContact CE1-CE1 3.87Å; H462-Y547 AromaticContact NE2-CE1 3.88Å
463	E	98.8	Very high	97.6	Very high	9 Å²	9	10.9 Å²	10.9	4%	0.042	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-179.4	-59.7	-50.1	130.5	0	0	114.2	A428 M429 E430 I435 F437 V459 Q467	A428-E463 HydrophobicContact CB-CG 3.51Å; A428-E463 WeakPolarHBondContact CB-OE1 3.36Å; M429-E463 WeakPolarHBondContact CA-OE2 3.45Å; M429-E463 PolarHBondContact N-OE2 3.48Å; E430-E463 WeakPolarHBondContact CA-OE2 3.38Å; E430-E463 PolarHBondContact N-OE2 3.1Å; I435-E463 HydrophobicContact CD1-CB 4.01Å; I435-E463 HydrophobicContact CG2-CB 3.6Å; I435-E463 HydrophobicContact CG2-CG 3.68Å; F437-E463 HydrophobicContact CE1-CG 3.83Å; F437-E463 HydrophobicContact CZ-CB 4.09Å; F437-E463 HydrophobicContact CZ-CG 3.8Å; V459-E463 HydrophobicContact CG1-CG 4.18Å; V459-E463 VanDerWaalsContact O-CG 3.31Å; V459-E463 WeakPolarHBondContact O-CG 3.35Å; V459-E463 PolarHBondContact O-N 3.33Å; E463-Q467 PolarHBondContact O-NE2 3.18Å
464	L	98.7	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-77.1	-32.3	176.2	-93.4	67	0	0	0	111.9	A396 L399 L400 Y403 L416 L418 I435 I460 A461 H462 H466 Q467 W468	A396-L464 HydrophobicContact CB-CD2 4.15Å; A396-L464 VanDerWaalsContact O-CD2 3.29Å; A396-L464 WeakPolarHBondContact O-CD2 3.49Å; L399-L464 HydrophobicContact CB-CD2 3.55Å; L400-L464 HydrophobicContact CB-CD2 4.18Å; Y403-L464 HydrophobicContact CD2-CB 3.89Å; Y403-L464 HydrophobicContact CE2-CB 3.62Å; L416-L464 HydrophobicContact CD2-CD1 4.14Å; L416-L464 HydrophobicContact CD2-CD2 4.26Å; L416-L464 HydrophobicContact CD2-CG 4Å; L418-L464 HydrophobicContact CD2-CD1 4.49Å; I435-L464 HydrophobicContact CD1-CD1 3.65Å; I460-L464 HydrophobicContact CG2-CD1 4.02Å; I460-L464 WeakPolarHBondContact O-CB 3.15Å; I460-L464 WeakPolarHBondContact O-CD1 3.33Å; I460-L464 PolarHBondContact O-N 2.69Å; A461-L464 PolarHBondContact O-N 2.71Å; H462-L464 VanDerWaalsContact C-N 3.35Å; H462-L464 PolarHBondContact O-N 3.35Å; L464-H466 VanDerWaalsContact C-N 3.32Å; L464-H466 PolarHBondContact O-N 2.99Å; L464-Q467 WeakPolarHBondContact O-CB 3.29Å; L464-Q467 WeakPolarHBondContact O-CG 3.2Å; L464-Q467 PolarHBondContact O-N 2.96Å; L464-W468 WeakPolarHBondContact O-CZ3 3.3Å
465	A	98.8	Very high	98.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.1	-37.5	172.6	0	0	0	0	0	111.9	Y403 A461 H462 Q467 W468 F469 A488 M491	Y403-A465 HydrophobicContact CE1-CB 4.39Å; Y403-A465 HydrophobicContact CE2-CB 4.34Å; A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 2.88Å; H462-A465 WeakPolarHBondContact O-CB 3.45Å; H462-A465 PolarHBondContact O-N 3.46Å; A465-Q467 PolarHBondContact O-N 3.46Å; A465-Q467 VanDerWaalsContact O-N 3.15Å; A465-W468 PolarHBondContact O-N 3.23Å; A465-F469 PolarHBondContact O-N 2.87Å; A465-A488 HydrophobicContact CB-CB 4.33Å; A465-M491 HydrophobicContact CB-CB 3.57Å; A465-M491 HydrophobicContact CB-CG 4.28Å
466	H	98.8	Very high	98.4	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.005	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	175.2	-81.9	-57.6	0	0	0	114.6	E430 H462 L464 W468 F469 G470 N471 E485 A488	E430-H466 HydrophobicContact CB-CB 3.35Å; E430-H466 HydrophobicContact CG-CB 3.63Å; E430-H466 IonicContact OE1-ND1 2.87Å; H462-H466 AromaticContact CD2-CD2 3.52Å; H462-H466 AromaticContact CD2-NE2 3.3Å; H462-H466 PolarHBondContact CD2-NE2 2.97Å; H462-H466 VanDerWaalsContact CD2-NE2 3.3Å; H462-H466 AromaticContact CE1-NE2 3.78Å; H462-H466 AromaticContact NE2-CD2 3.64Å; H462-H466 AromaticContact NE2-CE1 3.86Å; H462-H466 AromaticContact NE2-NE2 2.88Å; H462-H466 PolarHBondContact NE2-NE2 3Å; H462-H466 PolarHBondContact O-CD2 3.43Å; H462-H466 PolarHBondContact O-N 3.32Å; H462-H466 VanDerWaalsContact O-N 3.12Å; L464-H466 VanDerWaalsContact C-N 3.32Å; L464-H466 PolarHBondContact O-N 2.99Å; H466-W468 PolarHBondContact O-N 2.85Å; H466-F469 WeakPolarHBondContact CA-O 3.39Å; H466-F469 PolarHBondContact ND1-O 2.9Å; H466-F469 CarbonylContact O-C 3.58Å; H466-F469 PolarHBondContact O-N 3.08Å; H466-G470 PolarHBondContact O-N 2.93Å; H466-N471 WeakPolarHBondContact O-CB 3.38Å; H466-N471 PolarHBondContact O-N 2.9Å; H466-E485 IonicContact CE1-OE2 3.11Å; H466-E485 PolarHBondContact CE1-OE2 3.02Å; H466-E485 VanDerWaalsContact CE1-OE2 3.26Å; H466-E485 IonicContact NE2-OE2 3.48Å; H466-E485 PolarHBondContact NE2-OE2 3.38Å; H466-E485 VanDerWaalsContact NE2-OE2 3.17Å; H466-A488 VanDerWaalsContact CE1-CB 3.41Å; H466-A488 WeakPolarHBondContact CE1-CB 3.46Å; H466-A488 WeakPolarHBondContact NE2-CB 3.47Å
467	Q	98.6	Very high	98.4	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.7	175.2	-51.7	-51.7	-57.9	0	0	112.3	Y411 E430 E463 L464 A465 N471 L472	Y411-Q467 HydrophobicContact CD2-CB 4.03Å; Y411-Q467 HydrophobicContact CD2-CG 4.48Å; Y411-Q467 HydrophobicContact CE2-CB 3.93Å; Y411-Q467 HydrophobicContact CE2-CG 4.04Å; E430-Q467 PolarHBondContact O-NE2 3.44Å; E463-Q467 PolarHBondContact O-NE2 3.18Å; L464-Q467 WeakPolarHBondContact O-CB 3.29Å; L464-Q467 WeakPolarHBondContact O-CG 3.2Å; L464-Q467 PolarHBondContact O-N 2.96Å; A465-Q467 PolarHBondContact O-N 3.46Å; A465-Q467 VanDerWaalsContact O-N 3.15Å; Q467-N471 VanDerWaalsContact CD-ND2 3.3Å; Q467-N471 PolarHBondContact NE2-ND2 2.84Å; Q467-N471 PolarHBondContact OE1-ND2 3.39Å; Q467-L472 WeakPolarHBondContact O-CB 3.22Å; Q467-L472 PolarHBondContact O-N 3.17Å
468	W	98.8	Very high	98.5	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-48.1	166	-68.2	-103.5	0	0	0	112.2	L400 Y403 N404 F407 I409 L464 A465 H466 G470 L472 V473 L575	L400-W468 HydrophobicContact CD1-CH2 4.05Å; Y403-W468 VanDerWaalsContact CB-CH2 3.5Å; Y403-W468 VanDerWaalsContact CB-CZ3 3.42Å; Y403-W468 HydrophobicContact CD2-CZ3 4.13Å; Y403-W468 HydrophobicContact CG-CE3 4.47Å; Y403-W468 HydrophobicContact CG-CZ3 4.09Å; N404-W468 WeakPolarHBondContact OD1-CZ2 3.45Å; F407-W468 HydrophobicContact CD2-CB 4.13Å; F407-W468 AromaticContact CD2-CD1 3.64Å; F407-W468 AromaticContact CD2-CD2 3.49Å; F407-W468 HydrophobicContact CD2-CD2 3.49Å; F407-W468 VanDerWaalsContact CD2-CD2 3.49Å; F407-W468 AromaticContact CD2-CE2 3.69Å; F407-W468 HydrophobicContact CD2-CE3 4.04Å; F407-W468 AromaticContact CD2-CG 3.5Å; F407-W468 HydrophobicContact CD2-CG 3.5Å; F407-W468 VanDerWaalsContact CD2-CG 3.5Å; F407-W468 HydrophobicContact CD2-CZ2 4.39Å; F407-W468 AromaticContact CD2-NE1 3.73Å; F407-W468 HydrophobicContact CE2-CB 4Å; F407-W468 AromaticContact CE2-CD2 3.76Å; F407-W468 HydrophobicContact CE2-CD2 3.76Å; F407-W468 AromaticContact CE2-CE3 3.93Å; F407-W468 HydrophobicContact CE2-CE3 3.93Å; F407-W468 AromaticContact CE2-CG 3.79Å; F407-W468 HydrophobicContact CE2-CG 3.79Å; F407-W468 AromaticContact CG-CD1 4Å; F407-W468 HydrophobicContact CG-CG 4.22Å; I409-W468 WeakPolarHBondContact O-CZ2 3.31Å; I409-W468 PolarHBondContact O-NE1 3.43Å; I409-W468 VanDerWaalsContact O-NE1 3.14Å; L464-W468 WeakPolarHBondContact O-CZ3 3.3Å; A465-W468 PolarHBondContact O-N 3.23Å; H466-W468 PolarHBondContact O-N 2.85Å; W468-G470 PolarHBondContact O-N 2.78Å; W468-L472 HydrophobicContact CG-CD2 4.42Å; W468-L472 WeakPolarHBondContact O-CB 3.47Å; W468-V473 PolarHBondContact O-N 2.93Å; W468-V473 VanDerWaalsContact O-N 3.09Å; W468-L575 HydrophobicContact CB-CD1 4.13Å; W468-L575 HydrophobicContact CB-CD2 4.14Å; W468-L575 HydrophobicContact CG-CD1 4.47Å
469	F	98.5	Very high	98.5	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-97.7	78.2	-176.9	-66.8	-74.2	0	0	0	113	F407 A465 H466 N484 F487 M491 I571 Y574 L575	F407-F469 HydrophobicContact CE1-CD2 4.47Å; F407-F469 AromaticContact CE1-CE2 3.56Å; F407-F469 HydrophobicContact CE1-CE2 3.56Å; F407-F469 HydrophobicContact CE1-CZ 4.17Å; F407-F469 HydrophobicContact CZ-CD2 4.04Å; F407-F469 AromaticContact CZ-CE2 3.53Å; F407-F469 HydrophobicContact CZ-CE2 3.53Å; A465-F469 PolarHBondContact O-N 2.87Å; H466-F469 WeakPolarHBondContact CA-O 3.39Å; H466-F469 PolarHBondContact ND1-O 2.9Å; H466-F469 CarbonylContact O-C 3.58Å; H466-F469 PolarHBondContact O-N 3.08Å; F469-N484 WeakPolarHBondContact O-CA 3.46Å; F469-F487 HydrophobicContact CB-CB 3.83Å; F469-F487 HydrophobicContact CD1-CB 3.64Å; F469-F487 AromaticContact CD1-CD1 3.89Å; F469-F487 HydrophobicContact CD1-CD1 3.89Å; F469-F487 HydrophobicContact CD1-CD2 4.08Å; F469-F487 AromaticContact CD1-CG 3.58Å; F469-F487 HydrophobicContact CD1-CG 3.58Å; F469-F487 HydrophobicContact CD2-CB 3.9Å; F469-F487 HydrophobicContact CD2-CD1 4.26Å; F469-F487 HydrophobicContact CD2-CG 4.34Å; F469-F487 HydrophobicContact CE1-CB 4.02Å; F469-F487 AromaticContact CE1-CD1 3.33Å; F469-F487 HydrophobicContact CE1-CD1 3.33Å; F469-F487 HydrophobicContact CE1-CD2 4.02Å; F469-F487 AromaticContact CE1-CE1 3.72Å; F469-F487 HydrophobicContact CE1-CE1 3.72Å; F469-F487 HydrophobicContact CE1-CE2 4.35Å; F469-F487 AromaticContact CE1-CG 3.49Å; F469-F487 HydrophobicContact CE1-CG 3.49Å; F469-F487 VanDerWaalsContact CE1-CG 3.49Å; F469-F487 HydrophobicContact CE1-CZ 4.21Å; F469-F487 HydrophobicContact CE2-CB 4.23Å; F469-F487 AromaticContact CE2-CD1 3.72Å; F469-F487 HydrophobicContact CE2-CD1 3.72Å; F469-F487 HydrophobicContact CE2-CG 4.24Å; F469-F487 HydrophobicContact CG-CB 3.55Å; F469-F487 HydrophobicContact CG-CD1 4.3Å; F469-F487 AromaticContact CG-CG 4Å; F469-F487 HydrophobicContact CG-CG 4Å; F469-F487 HydrophobicContact CZ-CB 4.26Å; F469-F487 AromaticContact CZ-CD1 3.2Å; F469-F487 HydrophobicContact CZ-CD1 3.2Å; F469-F487 AromaticContact CZ-CE1 3.63Å; F469-F487 HydrophobicContact CZ-CE1 3.63Å; F469-F487 AromaticContact CZ-CG 3.81Å; F469-F487 HydrophobicContact CZ-CG 3.81Å; F469-M491 HydrophobicContact CD2-CG 4.24Å; F469-M491 HydrophobicContact CE2-CG 3.9Å; F469-M491 HydrophobicContact CE2-SD 4.37Å; F469-I571 HydrophobicContact CE1-CG2 4.31Å; F469-I571 HydrophobicContact CE2-CG2 4.28Å; F469-I571 HydrophobicContact CZ-CG2 3.48Å; F469-I571 VanDerWaalsContact CZ-CG2 3.48Å; F469-Y574 HydrophobicContact CD1-CE1 4.37Å; F469-Y574 HydrophobicContact CE1-CD1 4.31Å; F469-Y574 HydrophobicContact CE1-CE1 4.1Å; F469-L575 HydrophobicContact CD1-CD2 4.13Å; F469-L575 HydrophobicContact CE1-CD2 4.03Å; F469-L575 HydrophobicContact CE1-CG 4.44Å; F469-L575 HydrophobicContact CZ-CD1 4.27Å; F469-L575 HydrophobicContact CZ-CD2 4.47Å
470	G	97.6	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	143.8	-46.8	-178.4	0	0	0	0	0	110.4	Y356 H466 W468 V473 T474 N484	Y356-G470 PolarHBondContact OH-O 2.69Å; H466-G470 PolarHBondContact O-N 2.93Å; W468-G470 PolarHBondContact O-N 2.78Å; G470-V473 CarbonylContact C-O 3.54Å; G470-V473 WeakPolarHBondContact CA-O 3.46Å; G470-V473 PolarHBondContact N-O 3.46Å; G470-T474 VanDerWaalsContact O-CB 3.31Å; G470-T474 WeakPolarHBondContact O-CB 3.4Å; G470-T474 WeakPolarHBondContact O-CG2 3.42Å; G470-T474 PolarHBondContact O-OG1 3.32Å; G470-N484 VanDerWaalsContact CA-CG 3.45Å; G470-N484 WeakPolarHBondContact CA-ND2 3.42Å
471	N	98.4	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-63	-179.3	-66.7	-4.2	0	0	0	111.9	K310 L357 E430 W432 H466 Q467	K310-N471 PolarHBondContact NZ-O 3.48Å; L357-N471 HydrophobicContact CD1-CB 4.21Å; L357-N471 WeakPolarHBondContact CD1-OD1 3.45Å; L357-N471 WeakPolarHBondContact CD2-OD1 3.28Å; E430-N471 VanDerWaalsContact CG-OD1 3.31Å; E430-N471 WeakPolarHBondContact CG-OD1 3.37Å; E430-N471 PolarHBondContact O-ND2 3.39Å; W432-N471 WeakPolarHBondContact CA-ND2 3.29Å; W432-N471 HydrophobicContact CB-CB 4.41Å; W432-N471 HydrophobicContact CD2-CB 3.63Å; W432-N471 HydrophobicContact CE3-CB 3.88Å; W432-N471 HydrophobicContact CG-CB 3.9Å; W432-N471 HydrophobicContact CH2-CB 4.46Å; W432-N471 HydrophobicContact CZ2-CB 4.21Å; W432-N471 HydrophobicContact CZ3-CB 4.31Å; W432-N471 WeakPolarHBondContact CZ3-O 3.21Å; H466-N471 WeakPolarHBondContact O-CB 3.38Å; H466-N471 PolarHBondContact O-N 2.9Å; Q467-N471 VanDerWaalsContact CD-ND2 3.3Å; Q467-N471 PolarHBondContact NE2-ND2 2.84Å; Q467-N471 PolarHBondContact OE1-ND2 3.39Å
472	L	98.3	Very high	98.4	Very high	3 Å²	3	5.9 Å²	5.9	2%	0.016	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-50.2	-177.5	-166.6	68.5	0	0	0	111.7	K310 I409 P412 W432 Q467 W468 R579 G580	K310-L472 PolarHBondContact NZ-O 3.46Å; I409-L472 HydrophobicContact CG2-CD2 3.95Å; P412-L472 HydrophobicContact CG-CD1 4.43Å; W432-L472 HydrophobicContact CH2-CB 4.36Å; W432-L472 HydrophobicContact CH2-CD1 3.89Å; W432-L472 HydrophobicContact CZ2-CB 4.29Å; W432-L472 HydrophobicContact CZ2-CD1 3.89Å; Q467-L472 WeakPolarHBondContact O-CB 3.22Å; Q467-L472 PolarHBondContact O-N 3.17Å; W468-L472 HydrophobicContact CG-CD2 4.42Å; W468-L472 WeakPolarHBondContact O-CB 3.47Å; L472-R579 HydrophobicContact CD1-CG 3.58Å; L472-R579 HydrophobicContact CD2-CG 4.06Å; L472-R579 HydrophobicContact CG-CG 3.81Å; L472-G580 WeakPolarHBondContact O-CA 3.23Å; L472-G580 PolarHBondContact O-N 2.93Å
473	V	98.7	Very high	98.4	Very high	3 Å²	3	5.2 Å²	5.2	2%	0.018	3%	0.028	C	C	.	.	B	Isolated β-bridge	trans	-120.5	128.6	171.3	-174.1	0	0	0	0	107.4	W468 G470 Y574 L575 F578 T583	W468-V473 PolarHBondContact O-N 2.93Å; W468-V473 VanDerWaalsContact O-N 3.09Å; G470-V473 CarbonylContact C-O 3.54Å; G470-V473 WeakPolarHBondContact CA-O 3.46Å; G470-V473 PolarHBondContact N-O 3.46Å; V473-Y574 HydrophobicContact CB-CE1 4.46Å; V473-Y574 HydrophobicContact CG1-CE1 4.01Å; V473-L575 HydrophobicContact CB-CD2 4.27Å; V473-L575 HydrophobicContact CG2-CD2 3.84Å; V473-F578 HydrophobicContact CG1-CB 3.73Å; V473-F578 HydrophobicContact CG2-CB 4.04Å; V473-T583 HydrophobicContact CG1-CG2 3.57Å
474	T	98.6	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.9	-173.1	-45.5	0	0	0	0	109.2	P307 K310 Y356 G470 S581 N582 T583	P307-T474 HydrophobicContact CB-CG2 4.04Å; K310-T474 WeakPolarHBondContact CE-OG1 3.48Å; K310-T474 PolarHBondContact NZ-OG1 3.18Å; Y356-T474 HydrophobicContact CE1-CG2 3.98Å; G470-T474 VanDerWaalsContact O-CB 3.31Å; G470-T474 WeakPolarHBondContact O-CB 3.4Å; G470-T474 WeakPolarHBondContact O-CG2 3.42Å; G470-T474 PolarHBondContact O-OG1 3.32Å; T474-S581 PolarHBondContact N-O 3Å; T474-N582 CarbonylContact O-C 3.08Å; T474-N582 WeakPolarHBondContact O-CA 3.33Å; T474-T583 PolarHBondContact O-N 3.18Å; T474-T583 PolarHBondContact O-OG1 3.37Å
475	M	98.6	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	146.9	164.8	72.7	-57.2	-165	0	0	112	P307 W477 W478 D480 L481 N484 N582 T583	P307-M475 HydrophobicContact CB-CE 4.37Å; P307-M475 HydrophobicContact CB-SD 4.44Å; P307-M475 HydrophobicContact CG-CE 4.34Å; M475-W477 VanDerWaalsContact C-N 3.31Å; M475-W477 VanDerWaalsContact CG-O 3.23Å; M475-W477 WeakPolarHBondContact CG-O 3.21Å; M475-W478 HydrophobicContact CE-CD2 3.96Å; M475-W478 HydrophobicContact CE-CE3 3.26Å; M475-W478 HydrophobicContact CE-CH2 3.57Å; M475-W478 HydrophobicContact CE-CZ2 4.26Å; M475-W478 HydrophobicContact CE-CZ3 3.04Å; M475-D480 HydrophobicContact CB-CB 4.04Å; M475-D480 WeakPolarHBondContact CB-O 3.43Å; M475-L481 HydrophobicContact CE-CD1 3.93Å; M475-N484 PolarHBondContact N-OD1 2.9Å; M475-N484 PolarHBondContact SD-ND2 2.96Å; M475-N484 PolarHBondContact SD-OD1 2.7Å; M475-N484 VanDerWaalsContact SD-OD1 3.38Å; M475-N582 PolarHBondContact O-ND2 3.27Å; M475-T583 CarbonylContact C-O 3.51Å; M475-T583 WeakPolarHBondContact CA-O 3.33Å
476	S	98	Very high	98.4	Very high	25 Å²	25	5 Å²	5	18%	0.175	3%	0.027	C	C	.	.	S	Bend	trans	-69.6	-31	176.3	-75.2	0	0	0	0	112.6	S308 T583	S308-S476 WeakPolarHBondContact CB-O 3.43Å; S308-S476 PolarHBondContact OG-O 2.9Å; S476-T583 PolarHBondContact N-O 2.95Å; S476-T583 PolarHBondContact OG-N 2.75Å; S476-T583 PolarHBondContact OG-O 3.27Å
477	W	98.3	Very high	98.4	Very high	22 Å²	22	4.9 Å²	4.9	8%	0.083	3%	0.026	C	C	.	.	S	Bend	trans	-159.5	162.3	175.5	-178.8	-116	0	0	0	110.4	R166 E306 P307 M475 N479 D480 V532 I538	R166-W477 VanDerWaalsContact CD-CZ2 3.49Å; R166-W477 VanDerWaalsContact CZ-CE3 3.48Å; R166-W477 VanDerWaalsContact NH1-CD2 3.26Å; R166-W477 VanDerWaalsContact NH1-CG 3.34Å; E306-W477 HydrophobicContact CB-CE3 4.24Å; E306-W477 HydrophobicContact CB-CZ3 3.83Å; E306-W477 HydrophobicContact CG-CZ3 3.81Å; P307-W477 HydrophobicContact CG-CE3 4.41Å; M475-W477 VanDerWaalsContact C-N 3.31Å; M475-W477 VanDerWaalsContact CG-O 3.23Å; M475-W477 WeakPolarHBondContact CG-O 3.21Å; W477-N479 WeakPolarHBondContact CB-OD1 3.42Å; W477-N479 VanDerWaalsContact CD1-OD1 3.29Å; W477-N479 PolarHBondContact O-N 3.39Å; W477-N479 PolarHBondContact O-OD1 2.64Å; W477-D480 PolarHBondContact O-N 3.06Å; W477-D480 VanDerWaalsContact O-N 3.08Å; W477-V532 PolarHBondContact NE1-O 3.26Å; W477-I538 HydrophobicContact CH2-CD1 3.85Å; W477-I538 HydrophobicContact CZ2-CD1 3.62Å; W477-I538 HydrophobicContact CZ2-CG1 4.48Å
478	W	98.3	Very high	98.4	Very high	1 Å²	1	4.9 Å²	4.9	0%	0.004	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-61	-14.3	-172.4	-55.8	106.4	0	0	0	115.3	E293 P294 P307 Y356 M475 D480 L481 V532 I538 F542	E293-W478 HydrophobicContact CG-CH2 3.72Å; E293-W478 HydrophobicContact CG-CZ3 3.89Å; E293-W478 VanDerWaalsContact OE1-CZ3 3.3Å; E293-W478 WeakPolarHBondContact OE1-CZ3 3.22Å; P294-W478 HydrophobicContact CB-CD2 4.23Å; P294-W478 HydrophobicContact CB-CE3 4.12Å; P294-W478 HydrophobicContact CB-CH2 3.79Å; P294-W478 HydrophobicContact CB-CZ2 3.83Å; P294-W478 HydrophobicContact CB-CZ3 3.89Å; P294-W478 WeakPolarHBondContact O-CZ2 3.39Å; P307-W478 HydrophobicContact CG-CZ2 4.06Å; Y356-W478 HydrophobicContact CD1-CH2 4.06Å; Y356-W478 HydrophobicContact CD1-CZ2 4.46Å; Y356-W478 HydrophobicContact CE1-CH2 4.37Å; Y356-W478 HydrophobicContact CG-CH2 4.19Å; M475-W478 HydrophobicContact CE-CD2 3.96Å; M475-W478 HydrophobicContact CE-CE3 3.26Å; M475-W478 HydrophobicContact CE-CH2 3.57Å; M475-W478 HydrophobicContact CE-CZ2 4.26Å; M475-W478 HydrophobicContact CE-CZ3 3.04Å; W478-D480 PolarHBondContact O-N 3.33Å; W478-L481 HydrophobicContact CE3-CD1 4.08Å; W478-L481 HydrophobicContact CZ3-CD1 4.09Å; W478-L481 WeakPolarHBondContact O-CB 3.48Å; W478-L481 PolarHBondContact O-N 3.17Å; W478-V532 HydrophobicContact CB-CG2 3.85Å; W478-I538 HydrophobicContact CB-CB 4.42Å; W478-I538 HydrophobicContact CB-CG1 3.99Å; W478-I538 HydrophobicContact CB-CG2 3.84Å; W478-I538 HydrophobicContact CD2-CG2 3.7Å; W478-I538 HydrophobicContact CE3-CG2 4.22Å; W478-I538 HydrophobicContact CG-CB 4.39Å; W478-I538 HydrophobicContact CG-CD1 4.38Å; W478-I538 HydrophobicContact CG-CG1 4.09Å; W478-I538 HydrophobicContact CG-CG2 3.46Å; W478-I538 VanDerWaalsContact CG-CG2 3.46Å; W478-F542 HydrophobicContact CE3-CE2 4.34Å; W478-F542 HydrophobicContact CE3-CZ 4.14Å; W478-F542 HydrophobicContact CZ3-CE2 4.43Å; W478-F542 AromaticContact CZ3-CZ 3.84Å; W478-F542 HydrophobicContact CZ3-CZ 3.84Å
479	N	97.4	Very high	98.4	Very high	37 Å²	37	5.1 Å²	5.1	20%	0.198	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.1	171.3	67.3	-83.5	0	0	0	112.7	W477 S529 T530	W477-N479 WeakPolarHBondContact CB-OD1 3.42Å; W477-N479 VanDerWaalsContact CD1-OD1 3.29Å; W477-N479 PolarHBondContact O-N 3.39Å; W477-N479 PolarHBondContact O-OD1 2.64Å; N479-S529 VanDerWaalsContact O-CA 3.31Å; N479-S529 WeakPolarHBondContact O-CA 3.35Å; N479-T530 WeakPolarHBondContact CA-O 3.29Å; N479-T530 WeakPolarHBondContact CB-O 3.18Å; N479-T530 PolarHBondContact O-N 2.97Å
480	D	98.4	Very high	98.4	Very high	4 Å²	4	5.5 Å²	5.5	2%	0.021	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-110.3	25.2	-180	-78.9	-28.7	0	0	0	112.2	M475 W477 W478 W482 L483 S529 E584 T585	M475-D480 HydrophobicContact CB-CB 4.04Å; M475-D480 WeakPolarHBondContact CB-O 3.43Å; W477-D480 PolarHBondContact O-N 3.06Å; W477-D480 VanDerWaalsContact O-N 3.08Å; W478-D480 PolarHBondContact O-N 3.33Å; D480-W482 PolarHBondContact O-N 3.19Å; D480-L483 HydrophobicContact CB-CD1 3.92Å; D480-L483 HydrophobicContact CB-CG 4.25Å; D480-L483 WeakPolarHBondContact O-CB 3.21Å; D480-L483 PolarHBondContact O-N 2.97Å; D480-S529 VanDerWaalsContact OD1-CB 3.22Å; D480-S529 WeakPolarHBondContact OD1-CB 3.26Å; D480-S529 PolarHBondContact OD1-OG 2.84Å; D480-E584 WeakPolarHBondContact OD2-CA 3.43Å; D480-T585 VanDerWaalsContact CG-OG1 3.23Å; D480-T585 WeakPolarHBondContact OD1-CB 3.37Å; D480-T585 PolarHBondContact OD1-OG1 3.07Å; D480-T585 PolarHBondContact OD2-N 2.99Å
481	L	98.4	Very high	98.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-31.9	178.4	175.3	63.5	0	0	0	113.3	M475 W478 L483 N484 E485 M541 F542	M475-L481 HydrophobicContact CE-CD1 3.93Å; W478-L481 HydrophobicContact CE3-CD1 4.08Å; W478-L481 HydrophobicContact CZ3-CD1 4.09Å; W478-L481 WeakPolarHBondContact O-CB 3.48Å; W478-L481 PolarHBondContact O-N 3.17Å; L481-L483 PolarHBondContact O-N 3.41Å; L481-L483 VanDerWaalsContact O-N 3.09Å; L481-N484 WeakPolarHBondContact O-CB 3.47Å; L481-N484 PolarHBondContact O-N 2.93Å; L481-E485 HydrophobicContact CD1-CG 3.81Å; L481-E485 HydrophobicContact CD2-CG 4.39Å; L481-E485 HydrophobicContact CG-CG 3.85Å; L481-E485 PolarHBondContact O-N 3.07Å; L481-M541 HydrophobicContact CB-CB 4.39Å; L481-M541 HydrophobicContact CD2-CB 3.68Å; L481-F542 HydrophobicContact CD1-CE1 4.04Å; L481-F542 HydrophobicContact CD1-CZ 3.98Å; L481-F542 HydrophobicContact CD2-CD1 3.84Å; L481-F542 HydrophobicContact CD2-CD2 3.8Å; L481-F542 HydrophobicContact CD2-CE1 3.73Å; L481-F542 HydrophobicContact CD2-CE2 3.68Å; L481-F542 HydrophobicContact CD2-CG 3.87Å; L481-F542 HydrophobicContact CD2-CZ 3.65Å; L481-F542 HydrophobicContact CG-CZ 4.49Å
482	W	98.6	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.3	-20.8	176.6	84.3	-84.7	0	0	0	114.1	D480 N484 G486 F487 V528 L554 T585 L588 W589 T610	D480-W482 PolarHBondContact O-N 3.19Å; W482-N484 VanDerWaalsContact C-N 3.26Å; W482-N484 PolarHBondContact O-N 2.95Å; W482-G486 VanDerWaalsContact O-CA 3.31Å; W482-G486 WeakPolarHBondContact O-CA 3.39Å; W482-G486 PolarHBondContact O-N 3.09Å; W482-F487 HydrophobicContact CZ3-CE2 4.45Å; W482-V528 HydrophobicContact CB-CG1 3.57Å; W482-V528 HydrophobicContact CD2-CG1 3.66Å; W482-V528 HydrophobicContact CE3-CG1 4.14Å; W482-V528 HydrophobicContact CG-CG1 3.37Å; W482-L554 HydrophobicContact CZ3-CD1 4.45Å; W482-L554 HydrophobicContact CZ3-CD2 4.24Å; W482-L554 HydrophobicContact CZ3-CG 4.32Å; W482-T585 HydrophobicContact CZ2-CG2 4.1Å; W482-T585 PolarHBondContact NE1-OG1 2.74Å; W482-L588 HydrophobicContact CH2-CD2 3.7Å; W482-L588 HydrophobicContact CZ2-CD2 4.29Å; W482-W589 AromaticContact CH2-CH2 3.52Å; W482-W589 HydrophobicContact CH2-CH2 3.52Å; W482-W589 AromaticContact CH2-CZ2 3.5Å; W482-W589 HydrophobicContact CH2-CZ2 3.5Å; W482-W589 VanDerWaalsContact CH2-CZ2 3.5Å; W482-W589 HydrophobicContact CZ2-CH2 4.28Å; W482-W589 AromaticContact CZ2-CZ2 3.8Å; W482-W589 HydrophobicContact CZ2-CZ2 3.8Å; W482-W589 HydrophobicContact CZ3-CH2 4.41Å; W482-T610 HydrophobicContact CH2-CG2 4.2Å; W482-T610 HydrophobicContact CZ2-CG2 3.84Å
483	L	98.7	Very high	98.3	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-67.4	-26.3	172.8	-68.9	179.4	0	0	0	112.8	D480 L481 F487 L588	D480-L483 HydrophobicContact CB-CD1 3.92Å; D480-L483 HydrophobicContact CB-CG 4.25Å; D480-L483 WeakPolarHBondContact O-CB 3.21Å; D480-L483 PolarHBondContact O-N 2.97Å; L481-L483 PolarHBondContact O-N 3.41Å; L481-L483 VanDerWaalsContact O-N 3.09Å; L483-F487 WeakPolarHBondContact O-CD2 3.14Å; L483-L588 HydrophobicContact CD2-CB 4.32Å; L483-L588 HydrophobicContact CD2-CD2 3.87Å
484	N	98.7	Very high	98.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-84.1	-64.7	166.7	-61.2	15	0	0	0	108.1	Y356 F469 G470 M475 L481 W482 F487 A488	Y356-N484 PolarHBondContact OH-ND2 2.91Å; F469-N484 WeakPolarHBondContact O-CA 3.46Å; G470-N484 VanDerWaalsContact CA-CG 3.45Å; G470-N484 WeakPolarHBondContact CA-ND2 3.42Å; M475-N484 PolarHBondContact N-OD1 2.9Å; M475-N484 PolarHBondContact SD-ND2 2.96Å; M475-N484 PolarHBondContact SD-OD1 2.7Å; M475-N484 VanDerWaalsContact SD-OD1 3.38Å; L481-N484 WeakPolarHBondContact O-CB 3.47Å; L481-N484 PolarHBondContact O-N 2.93Å; W482-N484 VanDerWaalsContact C-N 3.26Å; W482-N484 PolarHBondContact O-N 2.95Å; N484-F487 PolarHBondContact O-N 3.36Å; N484-A488 PolarHBondContact O-N 2.94Å
485	E	98.6	Very high	98.1	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-74.8	-40.7	-160.9	-65.6	-70	-158.8	0	0	114.6	H462 H466 L481 F487 A488 T489 Y547	H462-E485 IonicContact CE1-OE2 2.75Å; H462-E485 PolarHBondContact CE1-OE2 3.16Å; H462-E485 VanDerWaalsContact CE1-OE2 3.26Å; H462-E485 IonicContact NE2-OE2 3.82Å; H462-E485 PolarHBondContact NE2-OE2 2.96Å; H466-E485 IonicContact CE1-OE2 3.11Å; H466-E485 PolarHBondContact CE1-OE2 3.02Å; H466-E485 VanDerWaalsContact CE1-OE2 3.26Å; H466-E485 IonicContact NE2-OE2 3.48Å; H466-E485 PolarHBondContact NE2-OE2 3.38Å; H466-E485 VanDerWaalsContact NE2-OE2 3.17Å; L481-E485 HydrophobicContact CD1-CG 3.81Å; L481-E485 HydrophobicContact CD2-CG 4.39Å; L481-E485 HydrophobicContact CG-CG 3.85Å; L481-E485 PolarHBondContact O-N 3.07Å; E485-F487 PolarHBondContact O-N 3.26Å; E485-A488 PolarHBondContact O-N 3.46Å; E485-T489 VanDerWaalsContact O-CB 3.24Å; E485-T489 WeakPolarHBondContact O-CB 3.47Å; E485-T489 PolarHBondContact O-N 3.04Å; E485-T489 PolarHBondContact O-OG1 3.23Å; E485-Y547 HydrophobicContact CB-CD1 4.02Å; E485-Y547 HydrophobicContact CB-CD2 4.09Å; E485-Y547 HydrophobicContact CB-CE1 4.09Å; E485-Y547 HydrophobicContact CB-CE2 4.18Å; E485-Y547 HydrophobicContact CB-CG 4.02Å; E485-Y547 HydrophobicContact CG-CD1 4.48Å; E485-Y547 HydrophobicContact CG-CD2 4.37Å; E485-Y547 HydrophobicContact CG-CE1 4.05Å; E485-Y547 HydrophobicContact CG-CE2 3.95Å; E485-Y547 PolarHBondContact OE1-OH 3.26Å; E485-Y547 WeakPolarHBondContact OE2-CE1 3.13Å
486	G	98.5	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.9	-31.5	175	0	0	0	0	0	111.6	W482 Y490 S546 A551 L554	W482-G486 VanDerWaalsContact O-CA 3.31Å; W482-G486 WeakPolarHBondContact O-CA 3.39Å; W482-G486 PolarHBondContact O-N 3.09Å; G486-Y490 VanDerWaalsContact O-CB 3.23Å; G486-Y490 WeakPolarHBondContact O-CB 3.23Å; G486-Y490 PolarHBondContact O-N 3.05Å; G486-Y490 VanDerWaalsContact O-N 3.08Å; G486-S546 WeakPolarHBondContact CA-O 3.4Å; G486-S546 PolarHBondContact N-O 2.93Å; G486-A551 WeakPolarHBondContact O-CA 3.5Å; G486-A551 WeakPolarHBondContact O-CB 3.39Å; G486-L554 WeakPolarHBondContact O-CD1 3.17Å
487	F	98.6	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-75.3	-46.4	173.5	-93.2	-76.3	0	0	0	113	F469 W482 L483 N484 E485 T489 Y490 M491 L554 F567 I571 L588	F469-F487 HydrophobicContact CB-CB 3.83Å; F469-F487 HydrophobicContact CD1-CB 3.64Å; F469-F487 AromaticContact CD1-CD1 3.89Å; F469-F487 HydrophobicContact CD1-CD1 3.89Å; F469-F487 HydrophobicContact CD1-CD2 4.08Å; F469-F487 AromaticContact CD1-CG 3.58Å; F469-F487 HydrophobicContact CD1-CG 3.58Å; F469-F487 HydrophobicContact CD2-CB 3.9Å; F469-F487 HydrophobicContact CD2-CD1 4.26Å; F469-F487 HydrophobicContact CD2-CG 4.34Å; F469-F487 HydrophobicContact CE1-CB 4.02Å; F469-F487 AromaticContact CE1-CD1 3.33Å; F469-F487 HydrophobicContact CE1-CD1 3.33Å; F469-F487 HydrophobicContact CE1-CD2 4.02Å; F469-F487 AromaticContact CE1-CE1 3.72Å; F469-F487 HydrophobicContact CE1-CE1 3.72Å; F469-F487 HydrophobicContact CE1-CE2 4.35Å; F469-F487 AromaticContact CE1-CG 3.49Å; F469-F487 HydrophobicContact CE1-CG 3.49Å; F469-F487 VanDerWaalsContact CE1-CG 3.49Å; F469-F487 HydrophobicContact CE1-CZ 4.21Å; F469-F487 HydrophobicContact CE2-CB 4.23Å; F469-F487 AromaticContact CE2-CD1 3.72Å; F469-F487 HydrophobicContact CE2-CD1 3.72Å; F469-F487 HydrophobicContact CE2-CG 4.24Å; F469-F487 HydrophobicContact CG-CB 3.55Å; F469-F487 HydrophobicContact CG-CD1 4.3Å; F469-F487 AromaticContact CG-CG 4Å; F469-F487 HydrophobicContact CG-CG 4Å; F469-F487 HydrophobicContact CZ-CB 4.26Å; F469-F487 AromaticContact CZ-CD1 3.2Å; F469-F487 HydrophobicContact CZ-CD1 3.2Å; F469-F487 AromaticContact CZ-CE1 3.63Å; F469-F487 HydrophobicContact CZ-CE1 3.63Å; F469-F487 AromaticContact CZ-CG 3.81Å; F469-F487 HydrophobicContact CZ-CG 3.81Å; W482-F487 HydrophobicContact CZ3-CE2 4.45Å; L483-F487 WeakPolarHBondContact O-CD2 3.14Å; N484-F487 PolarHBondContact O-N 3.36Å; E485-F487 PolarHBondContact O-N 3.26Å; F487-T489 VanDerWaalsContact C-N 3.34Å; F487-T489 PolarHBondContact O-N 3.11Å; F487-Y490 PolarHBondContact O-N 2.95Å; F487-M491 WeakPolarHBondContact O-CB 3.49Å; F487-M491 VanDerWaalsContact O-CG 3.22Å; F487-M491 WeakPolarHBondContact O-CG 3.49Å; F487-M491 PolarHBondContact O-N 3.25Å; F487-L554 HydrophobicContact CB-CD1 4.43Å; F487-L554 HydrophobicContact CD1-CD1 3.72Å; F487-L554 HydrophobicContact CD2-CD1 3.76Å; F487-L554 HydrophobicContact CE1-CD1 3.75Å; F487-L554 HydrophobicContact CE1-CD2 3.95Å; F487-L554 HydrophobicContact CE1-CG 4.48Å; F487-L554 HydrophobicContact CE2-CD1 3.79Å; F487-L554 HydrophobicContact CE2-CD2 3.86Å; F487-L554 HydrophobicContact CE2-CG 4.48Å; F487-L554 HydrophobicContact CG-CD1 3.73Å; F487-L554 HydrophobicContact CZ-CD1 3.79Å; F487-L554 HydrophobicContact CZ-CD2 3.45Å; F487-L554 VanDerWaalsContact CZ-CD2 3.45Å; F487-L554 HydrophobicContact CZ-CG 4.29Å; F487-F567 HydrophobicContact CE1-CZ 4.1Å; F487-I571 HydrophobicContact CE1-CD1 3.39Å; F487-I571 HydrophobicContact CE1-CG1 4.21Å; F487-I571 HydrophobicContact CZ-CD1 3.57Å; F487-L588 HydrophobicContact CE2-CD1 4.08Å; F487-L588 HydrophobicContact CE2-CD2 3.57Å; F487-L588 HydrophobicContact CE2-CG 4.47Å; F487-L588 HydrophobicContact CZ-CD1 3.8Å; F487-L588 HydrophobicContact CZ-CD2 3.85Å; F487-L588 HydrophobicContact CZ-CG 4.47Å
488	A	98.8	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-46.6	176.6	0	0	0	0	0	111	H462 A465 H466 N484 E485 Y490 M491 E492	H462-A488 WeakPolarHBondContact CE1-CB 3.1Å; H462-A488 VanDerWaalsContact ND1-C 3.32Å; A465-A488 HydrophobicContact CB-CB 4.33Å; H466-A488 VanDerWaalsContact CE1-CB 3.41Å; H466-A488 WeakPolarHBondContact CE1-CB 3.46Å; H466-A488 WeakPolarHBondContact NE2-CB 3.47Å; N484-A488 PolarHBondContact O-N 2.94Å; E485-A488 PolarHBondContact O-N 3.46Å; A488-Y490 VanDerWaalsContact C-N 3.33Å; A488-Y490 PolarHBondContact O-N 2.69Å; A488-M491 CarbonylContact O-C 3.53Å; A488-M491 PolarHBondContact O-N 3.41Å; A488-E492 PolarHBondContact O-N 2.93Å
489	T	98.6	Very high	97.4	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.043	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-36.3	175.5	-54	0	0	0	0	112	H462 E485 F487 Y493 Y547 A551	H462-T489 PolarHBondContact CE1-OG1 2.99Å; H462-T489 PolarHBondContact ND1-N 3.31Å; H462-T489 VanDerWaalsContact ND1-N 3.2Å; E485-T489 VanDerWaalsContact O-CB 3.24Å; E485-T489 WeakPolarHBondContact O-CB 3.47Å; E485-T489 PolarHBondContact O-N 3.04Å; E485-T489 PolarHBondContact O-OG1 3.23Å; F487-T489 VanDerWaalsContact C-N 3.34Å; F487-T489 PolarHBondContact O-N 3.11Å; T489-Y493 HydrophobicContact CG2-CD2 4.42Å; T489-Y493 HydrophobicContact CG2-CE2 3.86Å; T489-Y493 WeakPolarHBondContact O-CD2 3.49Å; T489-Y547 WeakPolarHBondContact OG1-CD1 3.37Å; T489-A551 HydrophobicContact CG2-CB 3.7Å
490	Y	98.3	Very high	97.2	Very high	8 Å²	8	17.6 Å²	17.6	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-68.7	-43.2	174.5	174.1	-98.9	0	0	0	112.1	G486 F487 A488 M494 L554 L555 N558 F567	G486-Y490 VanDerWaalsContact O-CB 3.23Å; G486-Y490 WeakPolarHBondContact O-CB 3.23Å; G486-Y490 PolarHBondContact O-N 3.05Å; G486-Y490 VanDerWaalsContact O-N 3.08Å; F487-Y490 PolarHBondContact O-N 2.95Å; A488-Y490 VanDerWaalsContact C-N 3.33Å; A488-Y490 PolarHBondContact O-N 2.69Å; Y490-M494 HydrophobicContact CE1-CB 4.33Å; Y490-M494 HydrophobicContact CE1-CG 4.43Å; Y490-M494 VanDerWaalsContact O-CB 3.31Å; Y490-M494 WeakPolarHBondContact O-CB 3.42Å; Y490-M494 PolarHBondContact O-N 2.86Å; Y490-M494 VanDerWaalsContact O-N 3.12Å; Y490-L554 HydrophobicContact CD2-CB 3.97Å; Y490-L554 HydrophobicContact CG-CB 3.98Å; Y490-L554 HydrophobicContact CG-CD1 4.41Å; Y490-L555 HydrophobicContact CD2-CB 4.3Å; Y490-L555 HydrophobicContact CE2-CB 4.03Å; Y490-L555 HydrophobicContact CE2-CD1 4.39Å; Y490-N558 PolarHBondContact OH-ND2 3.48Å; Y490-F567 HydrophobicContact CD1-CE1 4.35Å; Y490-F567 HydrophobicContact CD1-CZ 4.49Å; Y490-F567 AromaticContact CE1-CE1 3.62Å; Y490-F567 HydrophobicContact CE1-CE1 3.62Å; Y490-F567 HydrophobicContact CE1-CZ 4.06Å
491	M	98.2	Very high	96.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-72.2	-26.8	-179.3	-68.5	-60.1	-53.3	0	0	112.5	F402 Y403 F406 F407 A465 F469 F487 A488 M494 S495	F402-M491 HydrophobicContact CE1-CE 4.46Å; Y403-M491 HydrophobicContact CD1-CE 3.91Å; Y403-M491 HydrophobicContact CE1-CB 4.25Å; Y403-M491 HydrophobicContact CE1-CE 3.55Å; Y403-M491 PolarHBondContact OH-O 3.37Å; F406-M491 HydrophobicContact CD1-CE 3.86Å; F406-M491 HydrophobicContact CE1-CE 3.82Å; F406-M491 HydrophobicContact CE1-SD 4.27Å; F406-M491 HydrophobicContact CZ-CE 4.46Å; F407-M491 HydrophobicContact CE1-CE 3.86Å; F407-M491 HydrophobicContact CE1-SD 4.19Å; F407-M491 HydrophobicContact CE2-CE 4.41Å; F407-M491 HydrophobicContact CZ-CE 3.51Å; F407-M491 HydrophobicContact CZ-CG 4.28Å; F407-M491 HydrophobicContact CZ-SD 4.1Å; A465-M491 HydrophobicContact CB-CB 3.57Å; A465-M491 HydrophobicContact CB-CG 4.28Å; F469-M491 HydrophobicContact CD2-CG 4.24Å; F469-M491 HydrophobicContact CE2-CG 3.9Å; F469-M491 HydrophobicContact CE2-SD 4.37Å; F487-M491 WeakPolarHBondContact O-CB 3.49Å; F487-M491 VanDerWaalsContact O-CG 3.22Å; F487-M491 WeakPolarHBondContact O-CG 3.49Å; F487-M491 PolarHBondContact O-N 3.25Å; A488-M491 CarbonylContact O-C 3.53Å; A488-M491 PolarHBondContact O-N 3.41Å; M491-M494 HydrophobicContact CE-CE 3.22Å; M491-M494 HydrophobicContact SD-CE 3.66Å; M491-S495 WeakPolarHBondContact O-CB 3.33Å; M491-S495 PolarHBondContact O-N 2.91Å; M491-S495 PolarHBondContact O-OG 2.94Å
492	E	97.8	Very high	96.5	Very high	16 Å²	16	25.8 Å²	25.8	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-51.5	-67.5	167.2	172.7	-167.9	153.5	0	0	109.8	S458 A461 H462 A488 M494 S495 L496	S458-E492 WeakPolarHBondContact CB-OE1 3.47Å; S458-E492 WeakPolarHBondContact O-CG 3.48Å; S458-E492 PolarHBondContact OG-OE1 3.02Å; A461-E492 HydrophobicContact CB-CB 4.4Å; A461-E492 HydrophobicContact CB-CG 4.37Å; H462-E492 HydrophobicContact CB-CB 4.43Å; A488-E492 PolarHBondContact O-N 2.93Å; E492-M494 VanDerWaalsContact C-N 3.35Å; E492-M494 PolarHBondContact O-N 3.07Å; E492-S495 PolarHBondContact O-N 2.95Å; E492-S495 PolarHBondContact O-OG 3.34Å; E492-L496 HydrophobicContact CG-CD1 4.2Å; E492-L496 WeakPolarHBondContact O-CB 3.48Å; E492-L496 WeakPolarHBondContact O-CG 3.45Å; E492-L496 PolarHBondContact O-N 2.79Å; E492-L496 VanDerWaalsContact O-N 3.13Å
493	Y	96.6	Very high	96.1	Very high	23 Å²	23	26.4 Å²	26.4	9%	0.09	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-38.4	-173.6	-63.8	-60.1	0	0	0	112.7	T489 Q497 L508 F509 V512	T489-Y493 HydrophobicContact CG2-CD2 4.42Å; T489-Y493 HydrophobicContact CG2-CE2 3.86Å; T489-Y493 WeakPolarHBondContact O-CD2 3.49Å; Y493-Q497 VanDerWaalsContact O-CB 3.27Å; Y493-Q497 WeakPolarHBondContact O-CB 3.28Å; Y493-Q497 PolarHBondContact O-N 3.07Å; Y493-L508 HydrophobicContact CE1-CB 4.34Å; Y493-L508 HydrophobicContact CE1-CD2 3.88Å; Y493-L508 HydrophobicContact CE1-CG 3.82Å; Y493-F509 HydrophobicContact CD1-CB 3.7Å; Y493-F509 HydrophobicContact CD1-CG 4.24Å; Y493-F509 HydrophobicContact CD2-CB 3.85Å; Y493-F509 HydrophobicContact CD2-CD1 4.11Å; Y493-F509 AromaticContact CD2-CD2 3.19Å; Y493-F509 HydrophobicContact CD2-CD2 3.19Å; Y493-F509 HydrophobicContact CD2-CE1 4.48Å; Y493-F509 AromaticContact CD2-CE2 3.69Å; Y493-F509 HydrophobicContact CD2-CE2 3.69Å; Y493-F509 AromaticContact CD2-CG 3.46Å; Y493-F509 HydrophobicContact CD2-CG 3.46Å; Y493-F509 VanDerWaalsContact CD2-CG 3.46Å; Y493-F509 HydrophobicContact CD2-CZ 4.31Å; Y493-F509 HydrophobicContact CE1-CB 4.22Å; Y493-F509 HydrophobicContact CE2-CB 4.32Å; Y493-F509 AromaticContact CE2-CD2 3.54Å; Y493-F509 HydrophobicContact CE2-CD2 3.54Å; Y493-F509 HydrophobicContact CE2-CE2 4.13Å; Y493-F509 HydrophobicContact CE2-CG 4.12Å; Y493-F509 HydrophobicContact CG-CB 3.55Å; Y493-F509 HydrophobicContact CG-CD1 4.07Å; Y493-F509 AromaticContact CG-CD2 3.83Å; Y493-F509 HydrophobicContact CG-CD2 3.83Å; Y493-F509 AromaticContact CG-CG 3.57Å; Y493-F509 HydrophobicContact CG-CG 3.57Å; Y493-V512 HydrophobicContact CE2-CG2 4.28Å
494	M	95.4	Very high	95.5	Very high	29 Å²	29	28.5 Å²	28.5	14%	0.143	15%	0.154	C	C	.	.	H	α-helix	trans	-68	-49.5	-179.6	-170.5	-77.6	-68.9	0	0	111.6	F402 F406 Y490 M491 E492 Q497 E498	F402-M494 HydrophobicContact CE1-CE 4.36Å; F402-M494 HydrophobicContact CZ-CE 4.19Å; F402-M494 HydrophobicContact CZ-SD 4.28Å; F406-M494 HydrophobicContact CD1-CE 4.44Å; F406-M494 HydrophobicContact CD2-CE 4.1Å; F406-M494 HydrophobicContact CE1-CE 3.9Å; F406-M494 HydrophobicContact CE2-CE 3.51Å; F406-M494 HydrophobicContact CE2-SD 4.15Å; F406-M494 HydrophobicContact CZ-CE 3.39Å; F406-M494 HydrophobicContact CZ-SD 4.47Å; Y490-M494 HydrophobicContact CE1-CB 4.33Å; Y490-M494 HydrophobicContact CE1-CG 4.43Å; Y490-M494 VanDerWaalsContact O-CB 3.31Å; Y490-M494 WeakPolarHBondContact O-CB 3.42Å; Y490-M494 PolarHBondContact O-N 2.86Å; Y490-M494 VanDerWaalsContact O-N 3.12Å; M491-M494 HydrophobicContact CE-CE 3.22Å; M491-M494 HydrophobicContact SD-CE 3.66Å; E492-M494 VanDerWaalsContact C-N 3.35Å; E492-M494 PolarHBondContact O-N 3.07Å; M494-Q497 PolarHBondContact O-N 3.21Å; M494-E498 PolarHBondContact O-N 3.11Å
495	S	97	Very high	95	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-45.9	-179.1	65.1	0	0	0	0	112.2	F402 Y403 M491 E492 Q497 E498 I499	F402-S495 VanDerWaalsContact CE1-CB 3.41Å; Y403-S495 PolarHBondContact OH-OG 2.96Å; M491-S495 WeakPolarHBondContact O-CB 3.33Å; M491-S495 PolarHBondContact O-N 2.91Å; M491-S495 PolarHBondContact O-OG 2.94Å; E492-S495 PolarHBondContact O-N 2.95Å; E492-S495 PolarHBondContact O-OG 3.34Å; S495-Q497 VanDerWaalsContact C-N 3.29Å; S495-Q497 PolarHBondContact O-N 2.84Å; S495-E498 PolarHBondContact O-N 3.28Å; S495-I499 VanDerWaalsContact O-CG1 3.27Å; S495-I499 WeakPolarHBondContact O-CG1 3.3Å; S495-I499 PolarHBondContact O-N 3.44Å
496	L	96.8	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-32.5	-178.5	-68.4	173.7	0	0	0	112.6	A457 A461 E492 E498 I499 L500 T505	A457-L496 HydrophobicContact CB-CD1 4.36Å; A457-L496 HydrophobicContact CB-CD2 3.96Å; A461-L496 HydrophobicContact CB-CD1 3.95Å; A461-L496 HydrophobicContact CB-CD2 4.2Å; A461-L496 HydrophobicContact CB-CG 3.89Å; E492-L496 HydrophobicContact CG-CD1 4.2Å; E492-L496 WeakPolarHBondContact O-CB 3.48Å; E492-L496 WeakPolarHBondContact O-CG 3.45Å; E492-L496 PolarHBondContact O-N 2.79Å; E492-L496 VanDerWaalsContact O-N 3.13Å; L496-E498 PolarHBondContact O-N 3Å; L496-I499 HydrophobicContact CD2-CD1 4.28Å; L496-I499 HydrophobicContact CD2-CG1 4.33Å; L496-L500 HydrophobicContact CD2-CB 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.96Å; L496-L500 CarbonylContact O-C 3.57Å; L496-L500 WeakPolarHBondContact O-CA 3.48Å; L496-L500 PolarHBondContact O-N 2.82Å; L496-T505 HydrophobicContact CB-CG2 3.93Å; L496-T505 HydrophobicContact CD1-CG2 4.09Å
497	Q	94	Very high	94	Very high	88 Å²	88	30.7 Å²	30.7	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-28.6	173.8	-173.2	59.8	80.5	0	0	112.5	Y493 M494 S495	Y493-Q497 VanDerWaalsContact O-CB 3.27Å; Y493-Q497 WeakPolarHBondContact O-CB 3.28Å; Y493-Q497 PolarHBondContact O-N 3.07Å; M494-Q497 PolarHBondContact O-N 3.21Å; S495-Q497 VanDerWaalsContact C-N 3.29Å; S495-Q497 PolarHBondContact O-N 2.84Å
498	E	92.8	Very high	93.6	Very high	121 Å²	121	32.3 Å²	32.3	57%	0.565	18%	0.18	S	C	*	.	H	α-helix	trans	-88.3	-47.6	175.3	-65.2	-169.8	-174.3	0	0	112.6	F402 M494 S495 L496	F402-E498 HydrophobicContact CE2-CB 4.36Å; F402-E498 VanDerWaalsContact CE2-OE2 3.28Å; F402-E498 WeakPolarHBondContact CE2-OE2 3.44Å; M494-E498 PolarHBondContact O-N 3.11Å; S495-E498 PolarHBondContact O-N 3.28Å; L496-E498 PolarHBondContact O-N 3Å
499	I	94.9	Very high	93.5	Very high	42 Å²	42	33 Å²	33	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-87.8	-27.4	-171.7	67.6	144.1	0	0	0	114.9	K398 L399 F402 S495 L496	K398-I499 HydrophobicContact CB-CD1 4.29Å; L399-I499 HydrophobicContact CD2-CD1 3.5Å; L399-I499 HydrophobicContact CD2-CG1 4.24Å; L399-I499 HydrophobicContact CG-CD1 3.56Å; F402-I499 HydrophobicContact CB-CG2 3.92Å; F402-I499 HydrophobicContact CD2-CG2 3.65Å; F402-I499 HydrophobicContact CE2-CG2 4.34Å; F402-I499 HydrophobicContact CG-CG2 3.78Å; S495-I499 VanDerWaalsContact O-CG1 3.27Å; S495-I499 WeakPolarHBondContact O-CG1 3.3Å; S495-I499 PolarHBondContact O-N 3.44Å; L496-I499 HydrophobicContact CD2-CD1 4.28Å; L496-I499 HydrophobicContact CD2-CG1 4.33Å
500	L	93.6	Very high	93.3	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.131	18%	0.182	C	C	.	.			trans	-139.3	53.9	-175.4	-68.2	175	0	0	0	111.2	T395 A457 L496 S502 L503	T395-L500 HydrophobicContact CG2-CD1 4.02Å; A457-L500 HydrophobicContact CB-CD1 4.35Å; L496-L500 HydrophobicContact CD2-CB 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.96Å; L496-L500 CarbonylContact O-C 3.57Å; L496-L500 WeakPolarHBondContact O-CA 3.48Å; L496-L500 PolarHBondContact O-N 2.82Å; L500-S502 PolarHBondContact O-N 2.82Å; L500-L503 HydrophobicContact CB-CD1 3.78Å; L500-L503 HydrophobicContact CB-CG 4.12Å; L500-L503 HydrophobicContact CD1-CD1 3.87Å; L500-L503 HydrophobicContact CG-CD1 4.44Å; L500-L503 WeakPolarHBondContact O-CB 3.27Å; L500-L503 PolarHBondContact O-N 3.14Å
501	P	91.1	Very high	93.1	Very high	76 Å²	76	34.1 Å²	34.1	49%	0.494	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.5	-19.5	-173.8	23.6	-35.2	0	0	0	114.5	L503 D504	P501-L503 PolarHBondContact O-N 3.08Å; P501-D504 PolarHBondContact O-N 2.87Å
502	S	90.2	Very high	93	Very high	100 Å²	100	34.2 Å²	34.2	70%	0.699	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-66.6	-10.8	173	54.9	0	0	0	0	114.4	L500	L500-S502 PolarHBondContact O-N 2.82Å
503	L	90.4	Very high	92.9	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.068	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-86.7	-2.7	174.4	-63	-179.9	0	0	0	113.8	K453 Q454 A457 L500 P501 T505 L811	K453-L503 HydrophobicContact CB-CD2 4.24Å; Q454-L503 HydrophobicContact CB-CD2 4.44Å; Q454-L503 HydrophobicContact CG-CB 4.47Å; Q454-L503 PolarHBondContact NE2-O 3.48Å; A457-L503 HydrophobicContact CB-CD1 3.47Å; A457-L503 VanDerWaalsContact CB-CD1 3.47Å; L500-L503 HydrophobicContact CB-CD1 3.78Å; L500-L503 HydrophobicContact CB-CG 4.12Å; L500-L503 HydrophobicContact CD1-CD1 3.87Å; L500-L503 HydrophobicContact CG-CD1 4.44Å; L500-L503 WeakPolarHBondContact O-CB 3.27Å; L500-L503 PolarHBondContact O-N 3.14Å; P501-L503 PolarHBondContact O-N 3.08Å; L503-T505 VanDerWaalsContact C-N 3.3Å; L503-T505 HydrophobicContact CB-CG2 4.24Å; L503-T505 PolarHBondContact O-N 3.36Å; L503-T505 VanDerWaalsContact O-N 3.14Å; L503-L811 HydrophobicContact CD2-CD1 4.49Å
504	D	87	Confident	93	Very high	46 Å²	46	33.5 Å²	33.5	25%	0.246	19%	0.188	C	C	.	.			trans	44.6	48.9	173.1	-169.3	25.2	0	0	0	114.6	P501 G506 N507 L811 S812	P501-D504 PolarHBondContact O-N 2.87Å; D504-G506 PolarHBondContact O-N 3.39Å; D504-N507 PolarHBondContact OD2-ND2 2.97Å; D504-L811 HydrophobicContact CB-CD2 4.43Å; D504-S812 WeakPolarHBondContact OD2-CB 3.34Å
505	T	88.4	Confident	92.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-11.5	-174.6	46	0	0	0	0	113.9	Q454 L496 L503 L508 F509	Q454-T505 HydrophobicContact CG-CG2 4.21Å; L496-T505 HydrophobicContact CB-CG2 3.93Å; L496-T505 HydrophobicContact CD1-CG2 4.09Å; L503-T505 VanDerWaalsContact C-N 3.3Å; L503-T505 HydrophobicContact CB-CG2 4.24Å; L503-T505 PolarHBondContact O-N 3.36Å; L503-T505 VanDerWaalsContact O-N 3.14Å; T505-L508 PolarHBondContact O-N 3.29Å; T505-F509 PolarHBondContact O-N 3.47Å
506	G	87.8	Confident	92.8	Very high	25 Å²	25	37.5 Å²	37.5	26%	0.258	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-39.7	177	0	0	0	0	0	113.8	D504 F509 L510	D504-G506 PolarHBondContact O-N 3.39Å; G506-F509 PolarHBondContact O-N 3.45Å; G506-L510 PolarHBondContact O-N 3.26Å
507	N	87.5	Confident	92.9	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-41.5	175.7	-78.2	-39.5	0	0	0	111.6	D504 L510 T511	D504-N507 PolarHBondContact OD2-ND2 2.97Å; N507-L510 PolarHBondContact O-N 3.02Å; N507-T511 PolarHBondContact O-N 3Å; N507-T511 VanDerWaalsContact O-N 3.14Å; N507-T511 PolarHBondContact O-OG1 3.22Å; N507-T511 VanDerWaalsContact O-OG1 3.14Å
508	L	91.2	Very high	92.9	Very high	35 Å²	35	35.5 Å²	35.5	18%	0.183	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-47.5	173.8	-179.9	56.3	0	0	0	111.4	Q454 Y493 T505 L510 T511 V512	Q454-L508 HydrophobicContact CG-CD2 4.23Å; Y493-L508 HydrophobicContact CE1-CB 4.34Å; Y493-L508 HydrophobicContact CE1-CD2 3.88Å; Y493-L508 HydrophobicContact CE1-CG 3.82Å; T505-L508 PolarHBondContact O-N 3.29Å; L508-L510 VanDerWaalsContact C-N 3.31Å; L508-L510 PolarHBondContact O-N 3.29Å; L508-T511 WeakPolarHBondContact O-CB 3.39Å; L508-T511 PolarHBondContact O-N 2.77Å; L508-T511 VanDerWaalsContact O-N 3.14Å; L508-V512 WeakPolarHBondContact O-CG2 3.33Å; L508-V512 PolarHBondContact O-N 2.93Å
509	F	95.1	Very high	92.9	Very high	15 Å²	15	30.6 Å²	30.6	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-68.5	-26.9	179.4	-168.3	-152	0	0	0	113.5	Y493 T505 G506 V512 R513 A551 L555	Y493-F509 HydrophobicContact CD1-CB 3.7Å; Y493-F509 HydrophobicContact CD1-CG 4.24Å; Y493-F509 HydrophobicContact CD2-CB 3.85Å; Y493-F509 HydrophobicContact CD2-CD1 4.11Å; Y493-F509 AromaticContact CD2-CD2 3.19Å; Y493-F509 HydrophobicContact CD2-CD2 3.19Å; Y493-F509 HydrophobicContact CD2-CE1 4.48Å; Y493-F509 AromaticContact CD2-CE2 3.69Å; Y493-F509 HydrophobicContact CD2-CE2 3.69Å; Y493-F509 AromaticContact CD2-CG 3.46Å; Y493-F509 HydrophobicContact CD2-CG 3.46Å; Y493-F509 VanDerWaalsContact CD2-CG 3.46Å; Y493-F509 HydrophobicContact CD2-CZ 4.31Å; Y493-F509 HydrophobicContact CE1-CB 4.22Å; Y493-F509 HydrophobicContact CE2-CB 4.32Å; Y493-F509 AromaticContact CE2-CD2 3.54Å; Y493-F509 HydrophobicContact CE2-CD2 3.54Å; Y493-F509 HydrophobicContact CE2-CE2 4.13Å; Y493-F509 HydrophobicContact CE2-CG 4.12Å; Y493-F509 HydrophobicContact CG-CB 3.55Å; Y493-F509 HydrophobicContact CG-CD1 4.07Å; Y493-F509 AromaticContact CG-CD2 3.83Å; Y493-F509 HydrophobicContact CG-CD2 3.83Å; Y493-F509 AromaticContact CG-CG 3.57Å; Y493-F509 HydrophobicContact CG-CG 3.57Å; T505-F509 PolarHBondContact O-N 3.47Å; G506-F509 PolarHBondContact O-N 3.45Å; F509-V512 HydrophobicContact CD2-CB 4.11Å; F509-V512 HydrophobicContact CD2-CG1 4.13Å; F509-V512 HydrophobicContact CE2-CG1 4.4Å; F509-R513 HydrophobicContact CD2-CG 4.49Å; F509-R513 HydrophobicContact CE2-CG 4.32Å; F509-R513 WeakPolarHBondContact O-CG 3.13Å; F509-R513 PolarHBondContact O-N 3.2Å; F509-R513 PolarHBondContact O-NE 3.27Å; F509-R513 VanDerWaalsContact O-NE 3.14Å; F509-A551 HydrophobicContact CE2-CB 4Å; F509-A551 HydrophobicContact CZ-CB 4.1Å; F509-L555 HydrophobicContact CD1-CD2 4.39Å; F509-L555 HydrophobicContact CE1-CB 4.08Å; F509-L555 HydrophobicContact CE1-CD1 4.32Å; F509-L555 HydrophobicContact CE1-CD2 3.73Å; F509-L555 HydrophobicContact CE1-CG 4.24Å; F509-L555 HydrophobicContact CZ-CB 4.22Å; F509-L555 HydrophobicContact CZ-CD2 4.31Å
510	L	95.9	Very high	93	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-45.4	169.7	-177.4	60.7	0	0	0	111.4	G506 N507 L508 V512 R513 F514 N693 E723 A726 A760	G506-L510 PolarHBondContact O-N 3.26Å; N507-L510 PolarHBondContact O-N 3.02Å; L508-L510 VanDerWaalsContact C-N 3.31Å; L508-L510 PolarHBondContact O-N 3.29Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 2.83Å; L510-R513 WeakPolarHBondContact O-CB 3.37Å; L510-R513 PolarHBondContact O-N 2.88Å; L510-F514 HydrophobicContact CD1-CE1 4.16Å; L510-F514 HydrophobicContact CD1-CE2 3.94Å; L510-F514 HydrophobicContact CD1-CZ 3.63Å; L510-F514 HydrophobicContact CD2-CE2 4.2Å; L510-F514 HydrophobicContact CD2-CZ 4.36Å; L510-F514 HydrophobicContact CG-CD2 4.37Å; L510-F514 HydrophobicContact CG-CE2 3.67Å; L510-F514 HydrophobicContact CG-CZ 3.89Å; L510-F514 PolarHBondContact O-N 3.09Å; L510-F514 VanDerWaalsContact O-N 3.11Å; L510-N693 HydrophobicContact CD1-CB 3.64Å; L510-E723 HydrophobicContact CD2-CB 3.77Å; L510-E723 HydrophobicContact CD2-CG 3.94Å; L510-A726 HydrophobicContact CD2-CB 4Å; L510-A760 HydrophobicContact CD2-CB 3.96Å
511	T	93.6	Very high	93	Very high	36 Å²	36	27.5 Å²	27.5	22%	0.221	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-35.4	176.6	-55.3	0	0	0	0	112.3	N507 L508 R515	N507-T511 PolarHBondContact O-N 3Å; N507-T511 VanDerWaalsContact O-N 3.14Å; N507-T511 PolarHBondContact O-OG1 3.22Å; N507-T511 VanDerWaalsContact O-OG1 3.14Å; L508-T511 WeakPolarHBondContact O-CB 3.39Å; L508-T511 PolarHBondContact O-N 2.77Å; L508-T511 VanDerWaalsContact O-N 3.14Å; T511-R515 WeakPolarHBondContact O-CG 3.38Å; T511-R515 PolarHBondContact O-N 2.85Å; T511-R515 PolarHBondContact O-NE 3.02Å
512	V	94.9	Very high	93.1	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-45.6	171	170.1	0	0	0	0	111.3	Y493 L508 F509 L510 F514 R515 A516 E548	Y493-V512 HydrophobicContact CE2-CG2 4.28Å; L508-V512 WeakPolarHBondContact O-CG2 3.33Å; L508-V512 PolarHBondContact O-N 2.93Å; F509-V512 HydrophobicContact CD2-CB 4.11Å; F509-V512 HydrophobicContact CD2-CG1 4.13Å; F509-V512 HydrophobicContact CE2-CG1 4.4Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 2.83Å; V512-F514 PolarHBondContact O-N 3Å; V512-R515 PolarHBondContact O-N 2.97Å; V512-A516 PolarHBondContact O-N 3.33Å; V512-E548 HydrophobicContact CG1-CB 3.64Å; V512-E548 HydrophobicContact CG1-CG 3.72Å
513	R	96.8	Very high	93.2	Very high	18 Å²	18	21.3 Å²	21.3	7%	0.068	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-41.3	177.2	-77.7	176.1	-74.3	160.2	-5.1	112.6	F509 L510 A516 L517 S552 K692 N693	F509-R513 HydrophobicContact CD2-CG 4.49Å; F509-R513 HydrophobicContact CE2-CG 4.32Å; F509-R513 WeakPolarHBondContact O-CG 3.13Å; F509-R513 PolarHBondContact O-N 3.2Å; F509-R513 PolarHBondContact O-NE 3.27Å; F509-R513 VanDerWaalsContact O-NE 3.14Å; L510-R513 WeakPolarHBondContact O-CB 3.37Å; L510-R513 PolarHBondContact O-N 2.88Å; R513-A516 PolarHBondContact O-N 3.14Å; R513-L517 WeakPolarHBondContact O-CG 3.24Å; R513-L517 PolarHBondContact O-N 3.29Å; R513-L517 VanDerWaalsContact O-N 3.12Å; R513-S552 WeakPolarHBondContact CG-OG 3.43Å; R513-K692 PolarHBondContact NH1-O 2.62Å; R513-N693 PolarHBondContact NH1-O 3.47Å
514	F	97.3	Very high	93.3	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-41.4	176.1	-63.7	-38.8	0	0	0	112.5	L510 V512 A516 L517 D518 N693 A726 H730 E764	L510-F514 HydrophobicContact CD1-CE1 4.16Å; L510-F514 HydrophobicContact CD1-CE2 3.94Å; L510-F514 HydrophobicContact CD1-CZ 3.63Å; L510-F514 HydrophobicContact CD2-CE2 4.2Å; L510-F514 HydrophobicContact CD2-CZ 4.36Å; L510-F514 HydrophobicContact CG-CD2 4.37Å; L510-F514 HydrophobicContact CG-CE2 3.67Å; L510-F514 HydrophobicContact CG-CZ 3.89Å; L510-F514 PolarHBondContact O-N 3.09Å; L510-F514 VanDerWaalsContact O-N 3.11Å; V512-F514 PolarHBondContact O-N 3Å; F514-A516 VanDerWaalsContact C-N 3.33Å; F514-A516 PolarHBondContact O-N 3.33Å; F514-L517 HydrophobicContact CD1-CD1 4.42Å; F514-L517 PolarHBondContact O-N 2.69Å; F514-D518 PolarHBondContact O-N 3.03Å; F514-N693 WeakPolarHBondContact CE1-ND2 3.39Å; F514-A726 HydrophobicContact CE2-CB 4.11Å; F514-A726 HydrophobicContact CZ-CB 4.2Å; F514-H730 HydrophobicContact CD1-CB 3.76Å; F514-H730 AromaticContact CD1-CD2 3.68Å; F514-H730 AromaticContact CD1-CG 3.36Å; F514-H730 AromaticContact CD1-ND1 3.61Å; F514-H730 HydrophobicContact CE1-CB 3.6Å; F514-H730 AromaticContact CE1-CG 3.71Å; F514-H730 AromaticContact CE1-ND1 4Å; F514-H730 HydrophobicContact CE2-CB 4.37Å; F514-H730 HydrophobicContact CG-CB 4.25Å; F514-H730 AromaticContact CG-CD2 3.74Å; F514-H730 AromaticContact CG-CG 3.86Å; F514-H730 HydrophobicContact CZ-CB 3.94Å; F514-E764 HydrophobicContact CD2-CG 4.45Å; F514-E764 WeakPolarHBondContact CD2-OE2 3.46Å; F514-E764 HydrophobicContact CE2-CG 4.27Å
515	R	93.3	Very high	93.7	Very high	112 Å²	112	19.4 Å²	19.4	42%	0.423	10%	0.101	S	C	.	.	H	α-helix	trans	-59.4	-41.9	174.5	-76.4	-177.4	-82.2	151.2	-20.9	112.9	T511 V512 D518 K519 E548	T511-R515 WeakPolarHBondContact O-CG 3.38Å; T511-R515 PolarHBondContact O-N 2.85Å; T511-R515 PolarHBondContact O-NE 3.02Å; V512-R515 PolarHBondContact O-N 2.97Å; R515-D518 PolarHBondContact O-N 2.9Å; R515-K519 PolarHBondContact O-N 3.09Å; R515-E548 IonicContact CZ-OE1 2.69Å; R515-E548 IonicContact NE-OE1 3.78Å; R515-E548 IonicContact NH1-OE1 3.94Å; R515-E548 PolarHBondContact NH1-OE1 2.98Å
516	A	96.6	Very high	94	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-43.5	175.9	0	0	0	0	0	112.6	V512 R513 F514 D520 E548 K549 F696	V512-A516 PolarHBondContact O-N 3.33Å; R513-A516 PolarHBondContact O-N 3.14Å; F514-A516 VanDerWaalsContact C-N 3.33Å; F514-A516 PolarHBondContact O-N 3.33Å; A516-D520 VanDerWaalsContact O-CB 3.3Å; A516-D520 WeakPolarHBondContact O-CB 3.15Å; A516-D520 PolarHBondContact O-N 2.8Å; A516-E548 HydrophobicContact CB-CB 3.7Å; A516-K549 HydrophobicContact CB-CB 4.28Å; A516-F696 HydrophobicContact CB-CE2 3.66Å; A516-F696 HydrophobicContact CB-CZ 3.95Å
517	L	97.6	Very high	94.4	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-43.3	174	-69.3	167.1	0	0	0	111.2	R513 F514 K519 D520 A521 F615 F696	R513-L517 WeakPolarHBondContact O-CG 3.24Å; R513-L517 PolarHBondContact O-N 3.29Å; R513-L517 VanDerWaalsContact O-N 3.12Å; F514-L517 HydrophobicContact CD1-CD1 4.42Å; F514-L517 PolarHBondContact O-N 2.69Å; L517-K519 PolarHBondContact O-N 2.82Å; L517-D520 PolarHBondContact O-N 2.98Å; L517-A521 VanDerWaalsContact O-CB 3.29Å; L517-A521 WeakPolarHBondContact O-CB 3.28Å; L517-A521 PolarHBondContact O-N 3.39Å; L517-F615 HydrophobicContact CB-CE1 4.21Å; L517-F615 HydrophobicContact CB-CZ 4.12Å; L517-F615 HydrophobicContact CD2-CD1 3.8Å; L517-F615 HydrophobicContact CD2-CD2 3.73Å; L517-F615 HydrophobicContact CD2-CE1 3.8Å; L517-F615 HydrophobicContact CD2-CE2 3.73Å; L517-F615 HydrophobicContact CD2-CG 3.77Å; L517-F615 HydrophobicContact CD2-CZ 3.75Å; L517-F615 WeakPolarHBondContact O-CE1 3.43Å; L517-F696 HydrophobicContact CD2-CD1 4.09Å; L517-F696 HydrophobicContact CD2-CD2 3.89Å; L517-F696 HydrophobicContact CD2-CE1 3.9Å; L517-F696 HydrophobicContact CD2-CE2 3.71Å; L517-F696 HydrophobicContact CD2-CG 4.1Å; L517-F696 HydrophobicContact CD2-CZ 3.71Å; L517-F696 HydrophobicContact CG-CD2 4.21Å; L517-F696 HydrophobicContact CG-CE2 3.78Å; L517-F696 HydrophobicContact CG-CZ 4.08Å
518	D	93.9	Very high	94.9	Very high	44 Å²	44	18.7 Å²	18.7	24%	0.235	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-37.5	179.8	-92.6	37.9	0	0	0	113.4	F514 R515 H730 R737	F514-D518 PolarHBondContact O-N 3.03Å; R515-D518 PolarHBondContact O-N 2.9Å; D518-H730 IonicContact OD1-CD2 2.61Å; D518-H730 IonicContact OD1-CE1 2.68Å; D518-H730 IonicContact OD1-NE2 3.92Å; D518-H730 PolarHBondContact OD1-NE2 3.32Å; D518-R737 IonicContact OD1-NH1 3.08Å; D518-R737 IonicContact OD2-CZ 3.22Å; D518-R737 IonicContact OD2-NH1 2.67Å; D518-R737 PolarHBondContact OD2-NH1 3.1Å
519	K	93.5	Very high	95.1	Very high	17 Å²	17	18.4 Å²	18.4	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-67.1	-51.5	172.3	173.2	93	171.2	-179	0	111.1	R515 L517 A521 L522 D543 V545 E999	R515-K519 PolarHBondContact O-N 3.09Å; L517-K519 PolarHBondContact O-N 2.82Å; K519-A521 PolarHBondContact O-N 3.46Å; K519-L522 WeakPolarHBondContact O-CB 3.36Å; K519-L522 WeakPolarHBondContact O-CG 3.15Å; K519-L522 PolarHBondContact O-N 2.87Å; K519-D543 WeakPolarHBondContact CE-OD2 3.37Å; K519-D543 IonicContact NZ-OD2 2.84Å; K519-D543 PolarHBondContact NZ-OD2 2.8Å; K519-V545 HydrophobicContact CG-CG2 4.17Å; K519-E999 WeakPolarHBondContact CE-OE1 3.18Å; K519-E999 IonicContact NZ-OE1 3.17Å; K519-E999 PolarHBondContact NZ-OE1 3.46Å; K519-E999 IonicContact NZ-OE2 3.35Å; K519-E999 PolarHBondContact NZ-OE2 2.85Å
520	D	96.1	Very high	95.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-77.9	-8.1	-170.8	-167.2	41.6	0	0	0	113.9	A516 L517 L522 S525 K549 G614 F615	A516-D520 VanDerWaalsContact O-CB 3.3Å; A516-D520 WeakPolarHBondContact O-CB 3.15Å; A516-D520 PolarHBondContact O-N 2.8Å; L517-D520 PolarHBondContact O-N 2.98Å; D520-L522 PolarHBondContact O-N 2.81Å; D520-S525 WeakPolarHBondContact OD1-CB 3.44Å; D520-S525 PolarHBondContact OD1-OG 3.37Å; D520-K549 HydrophobicContact CB-CD 4.48Å; D520-K549 IonicContact OD1-NZ 3.73Å; D520-K549 WeakPolarHBondContact OD2-CD 3.31Å; D520-K549 WeakPolarHBondContact OD2-CE 3.04Å; D520-K549 IonicContact OD2-NZ 3.55Å; D520-K549 PolarHBondContact OD2-NZ 3.39Å; D520-G614 VanDerWaalsContact CG-CA 3.41Å; D520-G614 WeakPolarHBondContact O-CA 3.24Å; D520-G614 WeakPolarHBondContact OD1-CA 3.46Å; D520-G614 PolarHBondContact OD1-N 3.2Å; D520-G614 WeakPolarHBondContact OD2-CA 3.27Å; D520-G614 PolarHBondContact OD2-N 3.04Å; D520-F615 HydrophobicContact CB-CD1 4.13Å; D520-F615 HydrophobicContact CB-CE1 4.3Å
521	A	95.3	Very high	95	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.4	170.4	0	0	0	0	0	113.8	L517 K519 F615 F634 L635 L636	L517-A521 VanDerWaalsContact O-CB 3.29Å; L517-A521 WeakPolarHBondContact O-CB 3.28Å; L517-A521 PolarHBondContact O-N 3.39Å; K519-A521 PolarHBondContact O-N 3.46Å; A521-F615 HydrophobicContact CB-CE1 3.99Å; A521-F615 HydrophobicContact CB-CZ 4.04Å; A521-F634 HydrophobicContact CB-CD1 3.78Å; A521-F634 HydrophobicContact CB-CE1 3.7Å; A521-L635 WeakPolarHBondContact O-CA 3.32Å; A521-L636 HydrophobicContact CB-CD1 4.11Å; A521-L636 HydrophobicContact CB-CG 4.03Å; A521-L636 PolarHBondContact O-N 2.98Å
522	L	93.6	Very high	95	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.063	12%	0.124	C	C	.	.	S	Bend	trans	-79.8	142.3	174.5	-59.8	177.5	0	0	0	111.1	K519 D520 S524 S525 L636 E999 E1002 L1006	K519-L522 WeakPolarHBondContact O-CB 3.36Å; K519-L522 WeakPolarHBondContact O-CG 3.15Å; K519-L522 PolarHBondContact O-N 2.87Å; D520-L522 PolarHBondContact O-N 2.81Å; L522-S524 PolarHBondContact O-N 3.01Å; L522-S525 WeakPolarHBondContact O-CB 3.07Å; L522-S525 PolarHBondContact O-N 3.09Å; L522-S525 VanDerWaalsContact O-N 3.11Å; L522-L636 HydrophobicContact CD2-CD1 4.44Å; L522-E999 HydrophobicContact CD1-CB 4.23Å; L522-E999 HydrophobicContact CD1-CG 4.01Å; L522-E1002 WeakPolarHBondContact CA-OE1 3.16Å; L522-E1002 HydrophobicContact CD2-CG 4.33Å; L522-L1006 HydrophobicContact CD2-CD1 3.51Å
523	N	91.5	Very high	94.8	Very high	33 Å²	33	27.5 Å²	27.5	18%	0.176	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.7	172	-172.5	31.5	0	0	0	111.9	S525 K613 T637 D639 E1002	N523-S525 PolarHBondContact O-N 2.68Å; N523-K613 PolarHBondContact O-NZ 3.49Å; N523-K613 WeakPolarHBondContact OD1-CE 3.35Å; N523-K613 PolarHBondContact OD1-NZ 2.82Å; N523-T637 WeakPolarHBondContact CB-OG1 3.48Å; N523-D639 PolarHBondContact ND2-OD2 3.25Å; N523-D639 VanDerWaalsContact ND2-OD2 3.09Å; N523-E1002 WeakPolarHBondContact CA-OE2 3.01Å; N523-E1002 WeakPolarHBondContact CB-OE2 3.46Å; N523-E1002 VanDerWaalsContact N-CD 3.32Å; N523-E1002 PolarHBondContact N-OE1 2.82Å; N523-E1002 PolarHBondContact N-OE2 2.71Å; N523-E1002 VanDerWaalsContact N-OE2 3.09Å
524	S	92.5	Very high	94.6	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.084	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.1	168.7	58.8	0	0	0	0	114.7	L522 R995 E999 E1002	L522-S524 PolarHBondContact O-N 3.01Å; S524-R995 WeakPolarHBondContact O-CG 3.43Å; S524-E999 WeakPolarHBondContact OG-CA 3.39Å; S524-E999 WeakPolarHBondContact OG-CG 3.27Å; S524-E1002 PolarHBondContact N-OE2 2.73Å; S524-E1002 PolarHBondContact OG-OE2 2.82Å
525	S	94.4	Very high	94.3	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	16%	0.161	C	C	.	.			trans	-64.7	170.1	171.1	-169.6	0	0	0	0	112.3	D520 L522 N523 K613	D520-S525 WeakPolarHBondContact OD1-CB 3.44Å; D520-S525 PolarHBondContact OD1-OG 3.37Å; L522-S525 WeakPolarHBondContact O-CB 3.07Å; L522-S525 PolarHBondContact O-N 3.09Å; L522-S525 VanDerWaalsContact O-N 3.11Å; N523-S525 PolarHBondContact O-N 2.68Å; S525-K613 WeakPolarHBondContact O-CD 3.36Å
526	H	95	Very high	94.3	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.046	16%	0.157	C	C	.	.			trans	-131.8	163.5	-179.4	62.8	102.5	0	0	0	112.2	T530 D543 V545 K613 R995	H526-T530 HydrophobicContact CB-CG2 4.16Å; H526-D543 IonicContact CE1-OD1 2.82Å; H526-D543 IonicContact NE2-OD1 3.37Å; H526-D543 PolarHBondContact NE2-OD1 2.77Å; H526-D543 IonicContact NE2-OD2 3.63Å; H526-D543 PolarHBondContact NE2-OD2 2.88Å; H526-V545 WeakPolarHBondContact NE2-CB 3.39Å; H526-V545 WeakPolarHBondContact NE2-CG2 3.32Å; H526-K613 WeakPolarHBondContact O-CB 3.48Å; H526-R995 PolarHBondContact CD2-NH1 2.79Å; H526-R995 PolarHBondContact NE2-NH1 2.72Å
527	P	96.8	Very high	94.1	Very high	24 Å²	24	32.2 Å²	32.2	16%	0.156	17%	0.173	C	C	.	.			trans	-61.9	151.9	167.5	-20.7	33.7	0	0	0	111.7	S529 T610 K613	P527-S529 WeakPolarHBondContact CB-O 3.44Å; P527-S529 PolarHBondContact O-N 3.23Å; P527-T610 WeakPolarHBondContact CB-O 3.32Å; P527-K613 HydrophobicContact CG-CB 4.43Å
528	V	97.4	Very high	94.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-61.7	-35.8	178.6	-176.5	0	0	0	0	111.5	W482 V545 K549 I553 T610	W482-V528 HydrophobicContact CB-CG1 3.57Å; W482-V528 HydrophobicContact CD2-CG1 3.66Å; W482-V528 HydrophobicContact CE3-CG1 4.14Å; W482-V528 HydrophobicContact CG-CG1 3.37Å; V528-V545 HydrophobicContact CG2-CG1 4.06Å; V528-K549 HydrophobicContact CG2-CD 3.68Å; V528-K549 HydrophobicContact CG2-CG 3.97Å; V528-I553 HydrophobicContact CG2-CD1 4.49Å; V528-T610 HydrophobicContact CB-CG2 4.35Å; V528-T610 HydrophobicContact CG1-CG2 4.49Å; V528-T610 PolarHBondContact N-O 3.06Å; V528-T610 VanDerWaalsContact N-O 3.08Å
529	S	96.6	Very high	94.1	Very high	30 Å²	30	31.7 Å²	31.7	21%	0.21	17%	0.169	C	C	.	.	S	Bend	trans	-108.7	113.7	166.3	179.5	0	0	0	0	109.4	N479 D480 P527 T610	N479-S529 VanDerWaalsContact O-CA 3.31Å; N479-S529 WeakPolarHBondContact O-CA 3.35Å; D480-S529 VanDerWaalsContact OD1-CB 3.22Å; D480-S529 WeakPolarHBondContact OD1-CB 3.26Å; D480-S529 PolarHBondContact OD1-OG 2.84Å; P527-S529 WeakPolarHBondContact CB-O 3.44Å; P527-S529 PolarHBondContact O-N 3.23Å; S529-T610 PolarHBondContact N-O 3.43Å; S529-T610 VanDerWaalsContact N-O 3.09Å
530	T	94.4	Very high	94.2	Very high	36 Å²	36	31.4 Å²	31.4	22%	0.221	17%	0.168	C	C	.	.			trans	-145.3	145.8	-175.9	-156.1	0	0	0	0	112.6	N479 H526 V532 M541	N479-T530 WeakPolarHBondContact CA-O 3.29Å; N479-T530 WeakPolarHBondContact CB-O 3.18Å; N479-T530 PolarHBondContact O-N 2.97Å; H526-T530 HydrophobicContact CB-CG2 4.16Å; T530-V532 HydrophobicContact CG2-CG1 4.38Å; T530-V532 PolarHBondContact O-N 3.46Å; T530-M541 HydrophobicContact CG2-CE 4.06Å; T530-M541 HydrophobicContact CG2-SD 3.67Å
531	E	94.1	Very high	94.2	Very high	150 Å²	150	31.4 Å²	31.4	70%	0.701	17%	0.168	S	C	*	.			trans	-68.1	125.9	-175	-165.8	-168.4	148.6	0	0	111.7	N533	E531-N533 PolarHBondContact OE1-ND2 3.22Å
532	V	94.2	Very high	94.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.171	C	C	.	.			trans	-132.7	139.1	176.7	-65	0	0	0	0	110.3	W477 W478 T530 Q537 I538 M541	W477-V532 PolarHBondContact NE1-O 3.26Å; W478-V532 HydrophobicContact CB-CG2 3.85Å; T530-V532 HydrophobicContact CG2-CG1 4.38Å; T530-V532 PolarHBondContact O-N 3.46Å; V532-Q537 HydrophobicContact CB-CB 3.93Å; V532-Q537 HydrophobicContact CG1-CB 4.03Å; V532-Q537 WeakPolarHBondContact CG1-O 3.37Å; V532-I538 HydrophobicContact CB-CG1 4.16Å; V532-I538 HydrophobicContact CG2-CG1 3.82Å; V532-M541 HydrophobicContact CB-CG 4.48Å; V532-M541 HydrophobicContact CG1-CG 3.74Å; V532-M541 HydrophobicContact CG1-SD 3.65Å; V532-M541 HydrophobicContact CG2-CG 4.11Å
533	N	90.3	Very high	94.3	Very high	58 Å²	58	32.1 Å²	32.1	31%	0.31	17%	0.17	S	C	.	.			trans	-132.7	-40.2	-172.1	-73.4	-63.9	0	0	0	113.6	E531	E531-N533 PolarHBondContact OE1-ND2 3.22Å
534	T	91.9	Very high	94.5	Very high	43 Å²	43	31.8 Å²	31.8	26%	0.264	17%	0.171	S	C	.	.	S	Bend	trans	-87.8	157.2	178.9	78.9	0	0	0	0	111.8	L165 E536 Q537 I538	L165-T534 HydrophobicContact CD1-CG2 4.19Å; T534-E536 VanDerWaalsContact C-N 3.26Å; T534-E536 WeakPolarHBondContact CB-OE2 3.48Å; T534-E536 PolarHBondContact O-N 3.21Å; T534-E536 PolarHBondContact OG1-OE2 3.28Å; T534-Q537 PolarHBondContact O-N 3.23Å; T534-Q537 VanDerWaalsContact O-N 3.16Å; T534-Q537 WeakPolarHBondContact OG1-CG 3.39Å; T534-Q537 PolarHBondContact OG1-N 3.46Å; T534-I538 WeakPolarHBondContact O-CD1 3.4Å; T534-I538 WeakPolarHBondContact O-CG1 3.38Å; T534-I538 PolarHBondContact O-N 3.3Å; T534-I538 VanDerWaalsContact O-N 3.1Å
535	P	91.5	Very high	94.7	Very high	48 Å²	48	31.3 Å²	31.3	31%	0.312	17%	0.167	S	C	.	.	H	α-helix	trans	-53	-42.2	176.1	-28.1	37.1	0	0	0	113.3	L295 Q537 I538 E539	L295-P535 HydrophobicContact CD1-CB 3.86Å; L295-P535 HydrophobicContact CD1-CG 4.08Å; P535-Q537 PolarHBondContact O-N 3.36Å; P535-I538 WeakPolarHBondContact O-CB 3.4Å; P535-I538 PolarHBondContact O-N 3Å; P535-I538 VanDerWaalsContact O-N 3.17Å; P535-E539 WeakPolarHBondContact O-CG 3.04Å; P535-E539 PolarHBondContact O-N 3.45Å
536	E	92.1	Very high	94.9	Very high	72 Å²	72	31 Å²	31	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-66.1	-38.1	-179.3	-51.2	80.8	-179.2	0	0	111.7	T534 I538 E540 L955	T534-E536 VanDerWaalsContact C-N 3.26Å; T534-E536 WeakPolarHBondContact CB-OE2 3.48Å; T534-E536 PolarHBondContact O-N 3.21Å; T534-E536 PolarHBondContact OG1-OE2 3.28Å; E536-I538 VanDerWaalsContact C-N 3.29Å; E536-I538 PolarHBondContact O-N 2.86Å; E536-E540 WeakPolarHBondContact O-CB 2.88Å; E536-E540 VanDerWaalsContact O-CG 3.28Å; E536-E540 WeakPolarHBondContact O-CG 3.31Å; E536-E540 PolarHBondContact O-N 2.94Å; E536-L955 HydrophobicContact CB-CB 4.49Å; E536-L955 HydrophobicContact CG-CB 3.69Å; E536-L955 HydrophobicContact CG-CD1 4.48Å
537	Q	93.9	Very high	95	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-67.8	-31	175.3	-70.1	173.9	-29.5	0	0	112.4	V532 T534 P535 M541	V532-Q537 HydrophobicContact CB-CB 3.93Å; V532-Q537 HydrophobicContact CG1-CB 4.03Å; V532-Q537 WeakPolarHBondContact CG1-O 3.37Å; T534-Q537 PolarHBondContact O-N 3.23Å; T534-Q537 VanDerWaalsContact O-N 3.16Å; T534-Q537 WeakPolarHBondContact OG1-CG 3.39Å; T534-Q537 PolarHBondContact OG1-N 3.46Å; P535-Q537 PolarHBondContact O-N 3.36Å; Q537-M541 PolarHBondContact O-N 2.99Å
538	I	96.4	Very high	95.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-74.3	-45.4	178	-69.4	160.7	0	0	0	110	P294 L295 W477 W478 V532 T534 P535 E536 E540 M541 F542	P294-I538 HydrophobicContact CB-CG2 3.61Å; P294-I538 HydrophobicContact CG-CG2 3.83Å; L295-I538 HydrophobicContact CD1-CD1 3.83Å; L295-I538 HydrophobicContact CD1-CG2 4.5Å; L295-I538 HydrophobicContact CD2-CD1 4.43Å; L295-I538 HydrophobicContact CG-CG2 4.49Å; W477-I538 HydrophobicContact CH2-CD1 3.85Å; W477-I538 HydrophobicContact CZ2-CD1 3.62Å; W477-I538 HydrophobicContact CZ2-CG1 4.48Å; W478-I538 HydrophobicContact CB-CB 4.42Å; W478-I538 HydrophobicContact CB-CG1 3.99Å; W478-I538 HydrophobicContact CB-CG2 3.84Å; W478-I538 HydrophobicContact CD2-CG2 3.7Å; W478-I538 HydrophobicContact CE3-CG2 4.22Å; W478-I538 HydrophobicContact CG-CB 4.39Å; W478-I538 HydrophobicContact CG-CD1 4.38Å; W478-I538 HydrophobicContact CG-CG1 4.09Å; W478-I538 HydrophobicContact CG-CG2 3.46Å; W478-I538 VanDerWaalsContact CG-CG2 3.46Å; V532-I538 HydrophobicContact CB-CG1 4.16Å; V532-I538 HydrophobicContact CG2-CG1 3.82Å; T534-I538 WeakPolarHBondContact O-CD1 3.4Å; T534-I538 WeakPolarHBondContact O-CG1 3.38Å; T534-I538 PolarHBondContact O-N 3.3Å; T534-I538 VanDerWaalsContact O-N 3.1Å; P535-I538 WeakPolarHBondContact O-CB 3.4Å; P535-I538 PolarHBondContact O-N 3Å; P535-I538 VanDerWaalsContact O-N 3.17Å; E536-I538 VanDerWaalsContact C-N 3.29Å; E536-I538 PolarHBondContact O-N 2.86Å; I538-E540 PolarHBondContact O-N 3Å; I538-M541 WeakPolarHBondContact O-CB 3.44Å; I538-M541 PolarHBondContact O-N 3.37Å; I538-F542 WeakPolarHBondContact O-CD2 3.3Å
539	E	95.3	Very high	95.2	Very high	32 Å²	32	33.2 Å²	33.2	15%	0.15	17%	0.171	C	C	.	.	H	α-helix	trans	-56.6	-37.8	169.9	-69.2	-83.3	168.3	0	0	111.7	P294 P535 M541 F542 S957	P294-E539 VanDerWaalsContact CD-OE1 3.32Å; P294-E539 WeakPolarHBondContact CD-OE1 3.41Å; P294-E539 HydrophobicContact CG-CG 4.35Å; P535-E539 WeakPolarHBondContact O-CG 3.04Å; P535-E539 PolarHBondContact O-N 3.45Å; E539-M541 PolarHBondContact O-N 3.16Å; E539-F542 WeakPolarHBondContact O-CB 3.43Å; E539-F542 PolarHBondContact O-N 2.86Å; E539-F542 VanDerWaalsContact O-N 3.1Å; E539-S957 WeakPolarHBondContact OE2-CA 3.41Å; E539-S957 WeakPolarHBondContact OE2-CB 3.38Å
540	E	95.1	Very high	95.2	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.056	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.6	174.6	-75.5	-177	165.5	0	0	114.7	E536 I538 F542 M994 R995	E536-E540 WeakPolarHBondContact O-CB 2.88Å; E536-E540 VanDerWaalsContact O-CG 3.28Å; E536-E540 WeakPolarHBondContact O-CG 3.31Å; E536-E540 PolarHBondContact O-N 2.94Å; I538-E540 PolarHBondContact O-N 3Å; E540-F542 VanDerWaalsContact C-N 3.29Å; E540-M994 VanDerWaalsContact OE1-C 3.27Å; E540-M994 WeakPolarHBondContact OE1-CA 3.38Å; E540-M994 WeakPolarHBondContact OE1-CB 3.48Å; E540-R995 VanDerWaalsContact CD-N 3.31Å; E540-R995 PolarHBondContact O-NH1 2.9Å; E540-R995 PolarHBondContact OE1-N 3.03Å; E540-R995 VanDerWaalsContact OE2-CB 3.31Å; E540-R995 WeakPolarHBondContact OE2-CB 3.48Å; E540-R995 PolarHBondContact OE2-N 3.39Å
541	M	96.6	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.4	168.4	-64.6	-60.9	-66.4	0	0	112.3	L481 T530 V532 Q537 I538 E539 D543 S546	L481-M541 HydrophobicContact CB-CB 4.39Å; L481-M541 HydrophobicContact CD2-CB 3.68Å; T530-M541 HydrophobicContact CG2-CE 4.06Å; T530-M541 HydrophobicContact CG2-SD 3.67Å; V532-M541 HydrophobicContact CB-CG 4.48Å; V532-M541 HydrophobicContact CG1-CG 3.74Å; V532-M541 HydrophobicContact CG1-SD 3.65Å; V532-M541 HydrophobicContact CG2-CG 4.11Å; Q537-M541 PolarHBondContact O-N 2.99Å; I538-M541 WeakPolarHBondContact O-CB 3.44Å; I538-M541 PolarHBondContact O-N 3.37Å; E539-M541 PolarHBondContact O-N 3.16Å; M541-D543 PolarHBondContact O-N 2.82Å; M541-S546 VanDerWaalsContact O-CB 3.27Å; M541-S546 WeakPolarHBondContact O-CB 3.25Å; M541-S546 PolarHBondContact O-OG 2.94Å
542	F	95.9	Very high	95.6	Very high	22 Å²	22	23 Å²	23	10%	0.096	12%	0.118	C	C	.	.	S	Bend	trans	-80.9	69.4	177.3	-64.9	-96.7	0	0	0	110.3	E293 P294 W478 L481 I538 E539 E540 Y547	E293-F542 HydrophobicContact CG-CE1 4.23Å; E293-F542 HydrophobicContact CG-CZ 3.84Å; E293-F542 WeakPolarHBondContact OE2-CE1 3.31Å; P294-F542 HydrophobicContact CB-CE2 3.88Å; P294-F542 HydrophobicContact CB-CZ 4.08Å; P294-F542 HydrophobicContact CG-CE2 4.02Å; W478-F542 HydrophobicContact CE3-CE2 4.34Å; W478-F542 HydrophobicContact CE3-CZ 4.14Å; W478-F542 HydrophobicContact CZ3-CE2 4.43Å; W478-F542 AromaticContact CZ3-CZ 3.84Å; W478-F542 HydrophobicContact CZ3-CZ 3.84Å; L481-F542 HydrophobicContact CD1-CE1 4.04Å; L481-F542 HydrophobicContact CD1-CZ 3.98Å; L481-F542 HydrophobicContact CD2-CD1 3.84Å; L481-F542 HydrophobicContact CD2-CD2 3.8Å; L481-F542 HydrophobicContact CD2-CE1 3.73Å; L481-F542 HydrophobicContact CD2-CE2 3.68Å; L481-F542 HydrophobicContact CD2-CG 3.87Å; L481-F542 HydrophobicContact CD2-CZ 3.65Å; L481-F542 HydrophobicContact CG-CZ 4.49Å; I538-F542 WeakPolarHBondContact O-CD2 3.3Å; E539-F542 WeakPolarHBondContact O-CB 3.43Å; E539-F542 PolarHBondContact O-N 2.86Å; E539-F542 VanDerWaalsContact O-N 3.1Å; E540-F542 VanDerWaalsContact C-N 3.29Å; F542-Y547 HydrophobicContact CB-CE2 4.33Å; F542-Y547 HydrophobicContact CD1-CE2 4.31Å
543	D	94.8	Very high	95.8	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.117	C	C	.	.	S	Bend	trans	-143.4	176.5	-175.8	91.7	-7.7	0	0	0	114.6	K519 H526 M541 V545 S546 Y547 R995	K519-D543 WeakPolarHBondContact CE-OD2 3.37Å; K519-D543 IonicContact NZ-OD2 2.84Å; K519-D543 PolarHBondContact NZ-OD2 2.8Å; H526-D543 IonicContact CE1-OD1 2.82Å; H526-D543 IonicContact NE2-OD1 3.37Å; H526-D543 PolarHBondContact NE2-OD1 2.77Å; H526-D543 IonicContact NE2-OD2 3.63Å; H526-D543 PolarHBondContact NE2-OD2 2.88Å; M541-D543 PolarHBondContact O-N 2.82Å; D543-V545 PolarHBondContact O-N 2.93Å; D543-V545 WeakPolarHBondContact OD1-CA 3.34Å; D543-V545 VanDerWaalsContact OD1-CB 3.24Å; D543-V545 WeakPolarHBondContact OD1-CB 3.38Å; D543-V545 PolarHBondContact OD1-N 3.36Å; D543-S546 PolarHBondContact O-N 2.89Å; D543-S546 VanDerWaalsContact O-N 3.15Å; D543-Y547 WeakPolarHBondContact O-CD2 3.36Å; D543-Y547 PolarHBondContact O-N 3.25Å; D543-Y547 VanDerWaalsContact O-N 3.15Å; D543-R995 IonicContact OD2-NH1 3.25Å
544	S	95.1	Very high	96.2	Very high	27 Å²	27	20.1 Å²	20.1	19%	0.189	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-22.3	178.3	-71.7	0	0	0	0	115.6	E548 K549	S544-E548 WeakPolarHBondContact CB-OE2 3.29Å; S544-E548 WeakPolarHBondContact O-CA 3.31Å; S544-E548 VanDerWaalsContact O-CB 3.3Å; S544-E548 WeakPolarHBondContact O-CB 3.44Å; S544-E548 PolarHBondContact O-N 3.42Å; S544-E548 VanDerWaalsContact O-N 3.1Å; S544-E548 PolarHBondContact OG-OE2 3.32Å; S544-K549 PolarHBondContact O-N 3.25Å
545	V	97.3	Very high	96.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.096	C	C	.	.	I	π-helix	trans	-79.1	-44.3	-179.9	-175.2	0	0	0	0	110.6	K519 H526 V528 D543 K549 G550	K519-V545 HydrophobicContact CG-CG2 4.17Å; H526-V545 WeakPolarHBondContact NE2-CB 3.39Å; H526-V545 WeakPolarHBondContact NE2-CG2 3.32Å; V528-V545 HydrophobicContact CG2-CG1 4.06Å; D543-V545 PolarHBondContact O-N 2.93Å; D543-V545 WeakPolarHBondContact OD1-CA 3.34Å; D543-V545 VanDerWaalsContact OD1-CB 3.24Å; D543-V545 WeakPolarHBondContact OD1-CB 3.38Å; D543-V545 PolarHBondContact OD1-N 3.36Å; V545-K549 HydrophobicContact CG1-CD 4.18Å; V545-K549 WeakPolarHBondContact O-CB 3.42Å; V545-G550 PolarHBondContact O-N 2.84Å
546	S	97.9	Very high	96.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-75.9	-39.6	179.2	-70.7	0	0	0	0	113	G486 M541 D543	G486-S546 WeakPolarHBondContact CA-O 3.4Å; G486-S546 PolarHBondContact N-O 2.93Å; M541-S546 VanDerWaalsContact O-CB 3.27Å; M541-S546 WeakPolarHBondContact O-CB 3.25Å; M541-S546 PolarHBondContact O-OG 2.94Å; D543-S546 PolarHBondContact O-N 2.89Å; D543-S546 VanDerWaalsContact O-N 3.15Å
547	Y	98.4	Very high	96.8	Very high	62 Å²	62	13.9 Å²	13.9	24%	0.243	7%	0.067	C	C	.	.	I	π-helix	trans	-80	-73.2	176.4	-70.1	-106.9	0	0	0	111.4	H462 E485 T489 F542 D543 G550 A551	H462-Y547 AromaticContact CE1-CD1 3.92Å; H462-Y547 AromaticContact CE1-CE1 3.87Å; H462-Y547 AromaticContact NE2-CE1 3.88Å; E485-Y547 HydrophobicContact CB-CD1 4.02Å; E485-Y547 HydrophobicContact CB-CD2 4.09Å; E485-Y547 HydrophobicContact CB-CE1 4.09Å; E485-Y547 HydrophobicContact CB-CE2 4.18Å; E485-Y547 HydrophobicContact CB-CG 4.02Å; E485-Y547 HydrophobicContact CG-CD1 4.48Å; E485-Y547 HydrophobicContact CG-CD2 4.37Å; E485-Y547 HydrophobicContact CG-CE1 4.05Å; E485-Y547 HydrophobicContact CG-CE2 3.95Å; E485-Y547 PolarHBondContact OE1-OH 3.26Å; E485-Y547 WeakPolarHBondContact OE2-CE1 3.13Å; T489-Y547 WeakPolarHBondContact OG1-CD1 3.37Å; F542-Y547 HydrophobicContact CB-CE2 4.33Å; F542-Y547 HydrophobicContact CD1-CE2 4.31Å; D543-Y547 WeakPolarHBondContact O-CD2 3.36Å; D543-Y547 PolarHBondContact O-N 3.25Å; D543-Y547 VanDerWaalsContact O-N 3.15Å; Y547-G550 PolarHBondContact O-N 3.28Å; Y547-A551 WeakPolarHBondContact O-CB 3.36Å; Y547-A551 PolarHBondContact O-N 3.17Å
548	E	98.3	Very high	96.8	Very high	19 Å²	19	12.3 Å²	12.3	9%	0.089	6%	0.061	C	C	.	.	I	π-helix	trans	-73.7	-46.2	-162.6	-50.5	179.9	134	0	0	111.7	V512 R515 A516 S544 S552	V512-E548 HydrophobicContact CG1-CB 3.64Å; V512-E548 HydrophobicContact CG1-CG 3.72Å; R515-E548 IonicContact CZ-OE1 2.69Å; R515-E548 IonicContact NE-OE1 3.78Å; R515-E548 IonicContact NH1-OE1 3.94Å; R515-E548 PolarHBondContact NH1-OE1 2.98Å; A516-E548 HydrophobicContact CB-CB 3.7Å; S544-E548 WeakPolarHBondContact CB-OE2 3.29Å; S544-E548 WeakPolarHBondContact O-CA 3.31Å; S544-E548 VanDerWaalsContact O-CB 3.3Å; S544-E548 WeakPolarHBondContact O-CB 3.44Å; S544-E548 PolarHBondContact O-N 3.42Å; S544-E548 VanDerWaalsContact O-N 3.1Å; S544-E548 PolarHBondContact OG-OE2 3.32Å; E548-S552 WeakPolarHBondContact O-CB 3.31Å; E548-S552 PolarHBondContact O-N 3.37Å; E548-S552 PolarHBondContact O-OG 3.47Å
549	K	98.5	Very high	96.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-68.2	-39.5	172.8	174.8	177.7	177.9	-179.2	0	111.5	A516 D520 V528 S544 V545 A551 S552 I553 G614 F696	A516-K549 HydrophobicContact CB-CB 4.28Å; D520-K549 HydrophobicContact CB-CD 4.48Å; D520-K549 IonicContact OD1-NZ 3.73Å; D520-K549 WeakPolarHBondContact OD2-CD 3.31Å; D520-K549 WeakPolarHBondContact OD2-CE 3.04Å; D520-K549 IonicContact OD2-NZ 3.55Å; D520-K549 PolarHBondContact OD2-NZ 3.39Å; V528-K549 HydrophobicContact CG2-CD 3.68Å; V528-K549 HydrophobicContact CG2-CG 3.97Å; S544-K549 PolarHBondContact O-N 3.25Å; V545-K549 HydrophobicContact CG1-CD 4.18Å; V545-K549 WeakPolarHBondContact O-CB 3.42Å; K549-A551 PolarHBondContact O-N 3.44Å; K549-S552 WeakPolarHBondContact O-CB 3.44Å; K549-S552 PolarHBondContact O-N 3.01Å; K549-S552 VanDerWaalsContact O-N 3.15Å; K549-I553 HydrophobicContact CG-CG2 4.29Å; K549-I553 WeakPolarHBondContact O-CG1 3.4Å; K549-I553 PolarHBondContact O-N 3.42Å; K549-G614 PolarHBondContact NZ-O 3.06Å; K549-G614 VanDerWaalsContact NZ-O 3.07Å; K549-F696 HydrophobicContact CB-CE1 4.32Å; K549-F696 HydrophobicContact CB-CE2 4.23Å; K549-F696 HydrophobicContact CB-CZ 3.83Å; K549-F696 HydrophobicContact CD-CD1 4.31Å; K549-F696 HydrophobicContact CD-CE1 3.54Å; K549-F696 HydrophobicContact CD-CZ 3.87Å; K549-F696 HydrophobicContact CG-CD1 4.14Å; K549-F696 HydrophobicContact CG-CE1 3.6Å; K549-F696 HydrophobicContact CG-CE2 4.22Å; K549-F696 HydrophobicContact CG-CZ 3.64Å
550	G	98.4	Very high	96.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-52.3	-53.2	173.5	0	0	0	0	0	112.2	V545 Y547 S552 I553 L554	V545-G550 PolarHBondContact O-N 2.84Å; Y547-G550 PolarHBondContact O-N 3.28Å; G550-S552 VanDerWaalsContact C-N 3.34Å; G550-S552 PolarHBondContact O-N 2.7Å; G550-I553 VanDerWaalsContact O-CG1 3.26Å; G550-I553 WeakPolarHBondContact O-CG1 3.37Å; G550-I553 PolarHBondContact O-N 3.11Å; G550-L554 WeakPolarHBondContact O-CG 3.48Å; G550-L554 PolarHBondContact O-N 2.94Å
551	A	98.6	Very high	95.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.5	-38.1	175.5	0	0	0	0	0	113.3	G486 T489 F509 Y547 K549 I553 L554 L555	G486-A551 WeakPolarHBondContact O-CA 3.5Å; G486-A551 WeakPolarHBondContact O-CB 3.39Å; T489-A551 HydrophobicContact CG2-CB 3.7Å; F509-A551 HydrophobicContact CE2-CB 4Å; F509-A551 HydrophobicContact CZ-CB 4.1Å; Y547-A551 WeakPolarHBondContact O-CB 3.36Å; Y547-A551 PolarHBondContact O-N 3.17Å; K549-A551 PolarHBondContact O-N 3.44Å; A551-I553 PolarHBondContact O-N 3.42Å; A551-L554 PolarHBondContact O-N 2.94Å; A551-L555 PolarHBondContact O-N 2.7Å
552	S	98.4	Very high	94.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-41.6	178.9	-58.6	0	0	0	0	112.8	R513 E548 K549 G550 L555 M556 F696	R513-S552 WeakPolarHBondContact CG-OG 3.43Å; E548-S552 WeakPolarHBondContact O-CB 3.31Å; E548-S552 PolarHBondContact O-N 3.37Å; E548-S552 PolarHBondContact O-OG 3.47Å; K549-S552 WeakPolarHBondContact O-CB 3.44Å; K549-S552 PolarHBondContact O-N 3.01Å; K549-S552 VanDerWaalsContact O-N 3.15Å; G550-S552 VanDerWaalsContact C-N 3.34Å; G550-S552 PolarHBondContact O-N 2.7Å; S552-L555 PolarHBondContact O-N 3.1Å; S552-M556 WeakPolarHBondContact O-CB 3.35Å; S552-M556 PolarHBondContact O-N 2.64Å; S552-F696 VanDerWaalsContact CB-CD2 3.43Å
553	I	98.1	Very high	92.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-76.1	-25.9	179.4	67.3	170.5	0	0	0	112.2	V528 K549 G550 A551 M556 L557 M606 W609 T610 F696	V528-I553 HydrophobicContact CG2-CD1 4.49Å; K549-I553 HydrophobicContact CG-CG2 4.29Å; K549-I553 WeakPolarHBondContact O-CG1 3.4Å; K549-I553 PolarHBondContact O-N 3.42Å; G550-I553 VanDerWaalsContact O-CG1 3.26Å; G550-I553 WeakPolarHBondContact O-CG1 3.37Å; G550-I553 PolarHBondContact O-N 3.11Å; A551-I553 PolarHBondContact O-N 3.42Å; I553-M556 HydrophobicContact CB-CE 4.28Å; I553-M556 HydrophobicContact CG2-CE 4.21Å; I553-L557 VanDerWaalsContact O-CB 3.32Å; I553-L557 WeakPolarHBondContact O-CB 3.34Å; I553-L557 PolarHBondContact O-N 3.44Å; I553-M606 HydrophobicContact CB-CE 4.03Å; I553-M606 HydrophobicContact CD1-CE 4.13Å; I553-M606 HydrophobicContact CG1-CE 4.15Å; I553-W609 HydrophobicContact CD1-CB 4.21Å; I553-W609 HydrophobicContact CG2-CB 4.31Å; I553-W609 HydrophobicContact CG2-CE3 4.32Å; I553-T610 HydrophobicContact CD1-CG2 3.73Å; I553-F696 HydrophobicContact CG2-CB 4.18Å; I553-F696 HydrophobicContact CG2-CG 4.36Å
554	L	97.7	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-42.1	169.8	-68.8	172.7	0	0	0	112.1	W482 G486 F487 Y490 G550 A551 L557 N558 F567	W482-L554 HydrophobicContact CZ3-CD1 4.45Å; W482-L554 HydrophobicContact CZ3-CD2 4.24Å; W482-L554 HydrophobicContact CZ3-CG 4.32Å; G486-L554 WeakPolarHBondContact O-CD1 3.17Å; F487-L554 HydrophobicContact CB-CD1 4.43Å; F487-L554 HydrophobicContact CD1-CD1 3.72Å; F487-L554 HydrophobicContact CD2-CD1 3.76Å; F487-L554 HydrophobicContact CE1-CD1 3.75Å; F487-L554 HydrophobicContact CE1-CD2 3.95Å; F487-L554 HydrophobicContact CE1-CG 4.48Å; F487-L554 HydrophobicContact CE2-CD1 3.79Å; F487-L554 HydrophobicContact CE2-CD2 3.86Å; F487-L554 HydrophobicContact CE2-CG 4.48Å; F487-L554 HydrophobicContact CG-CD1 3.73Å; F487-L554 HydrophobicContact CZ-CD1 3.79Å; F487-L554 HydrophobicContact CZ-CD2 3.45Å; F487-L554 VanDerWaalsContact CZ-CD2 3.45Å; F487-L554 HydrophobicContact CZ-CG 4.29Å; Y490-L554 HydrophobicContact CD2-CB 3.97Å; Y490-L554 HydrophobicContact CG-CB 3.98Å; Y490-L554 HydrophobicContact CG-CD1 4.41Å; G550-L554 WeakPolarHBondContact O-CG 3.48Å; G550-L554 PolarHBondContact O-N 2.94Å; A551-L554 PolarHBondContact O-N 2.94Å; L554-L557 PolarHBondContact O-N 2.97Å; L554-N558 WeakPolarHBondContact O-CB 3.11Å; L554-N558 PolarHBondContact O-N 3.17Å; L554-F567 HydrophobicContact CB-CZ 4.4Å; L554-F567 HydrophobicContact CD2-CE2 4.2Å; L554-F567 HydrophobicContact CD2-CZ 4.19Å
555	L	96.6	Very high	90.5	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.141	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-52.7	170.3	174.7	70.8	0	0	0	110.8	Y490 F509 A551 S552 L557 N558 V559 T694	Y490-L555 HydrophobicContact CD2-CB 4.3Å; Y490-L555 HydrophobicContact CE2-CB 4.03Å; Y490-L555 HydrophobicContact CE2-CD1 4.39Å; F509-L555 HydrophobicContact CD1-CD2 4.39Å; F509-L555 HydrophobicContact CE1-CB 4.08Å; F509-L555 HydrophobicContact CE1-CD1 4.32Å; F509-L555 HydrophobicContact CE1-CD2 3.73Å; F509-L555 HydrophobicContact CE1-CG 4.24Å; F509-L555 HydrophobicContact CZ-CB 4.22Å; F509-L555 HydrophobicContact CZ-CD2 4.31Å; A551-L555 PolarHBondContact O-N 2.7Å; S552-L555 PolarHBondContact O-N 3.1Å; L555-L557 VanDerWaalsContact C-N 3.29Å; L555-L557 PolarHBondContact O-N 2.73Å; L555-N558 PolarHBondContact O-N 3.49Å; L555-V559 HydrophobicContact CD1-CG2 3.97Å; L555-V559 HydrophobicContact CG-CG2 4.3Å; L555-V559 VanDerWaalsContact O-CB 3.31Å; L555-V559 WeakPolarHBondContact O-CB 3.49Å; L555-V559 VanDerWaalsContact O-CG2 3.28Å; L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 2.89Å; L555-T694 HydrophobicContact CD2-CG2 4.46Å
556	M	96.7	Very high	90	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-42.1	179.2	178.4	178.1	67	0	0	111.7	S552 I553 S560 W609 P651 T694 F696	S552-M556 WeakPolarHBondContact O-CB 3.35Å; S552-M556 PolarHBondContact O-N 2.64Å; I553-M556 HydrophobicContact CB-CE 4.28Å; I553-M556 HydrophobicContact CG2-CE 4.21Å; M556-S560 VanDerWaalsContact O-CB 3.26Å; M556-S560 WeakPolarHBondContact O-CB 3.15Å; M556-S560 PolarHBondContact O-N 2.91Å; M556-S560 PolarHBondContact O-OG 3.28Å; M556-W609 HydrophobicContact CE-CD2 3.51Å; M556-W609 HydrophobicContact CE-CE3 4.04Å; M556-W609 HydrophobicContact CE-CG 3.87Å; M556-W609 HydrophobicContact CE-CH2 4.18Å; M556-W609 HydrophobicContact CE-CZ2 3.69Å; M556-W609 HydrophobicContact CE-CZ3 4.35Å; M556-W609 HydrophobicContact SD-CH2 4.23Å; M556-W609 HydrophobicContact SD-CZ2 3.92Å; M556-P651 HydrophobicContact CG-CG 3.61Å; M556-P651 HydrophobicContact SD-CG 3.97Å; M556-T694 WeakPolarHBondContact CA-O 3.02Å; M556-T694 WeakPolarHBondContact CB-O 3.17Å; M556-F696 HydrophobicContact SD-CB 4.44Å; M556-F696 PolarHBondContact SD-N 2.87Å
557	L	94.6	Very high	89.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-53.5	176	177.9	57.6	0	0	0	111.2	I553 L554 L555 V559 S560 L561 F567 W589 L592 I602 M605 M606	I553-L557 VanDerWaalsContact O-CB 3.32Å; I553-L557 WeakPolarHBondContact O-CB 3.34Å; I553-L557 PolarHBondContact O-N 3.44Å; L554-L557 PolarHBondContact O-N 2.97Å; L555-L557 VanDerWaalsContact C-N 3.29Å; L555-L557 PolarHBondContact O-N 2.73Å; L557-V559 VanDerWaalsContact C-N 3.35Å; L557-V559 PolarHBondContact O-N 2.97Å; L557-S560 PolarHBondContact O-N 2.98Å; L557-S560 PolarHBondContact O-OG 3.04Å; L557-L561 HydrophobicContact CD1-CD1 4.3Å; L557-L561 HydrophobicContact CD1-CG 4.29Å; L557-L561 HydrophobicContact CG-CD1 4.35Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.27Å; L557-F567 HydrophobicContact CD2-CD2 4.49Å; L557-F567 HydrophobicContact CD2-CE2 4.26Å; L557-F567 HydrophobicContact CG-CD2 4.4Å; L557-F567 HydrophobicContact CG-CE2 4.48Å; L557-W589 HydrophobicContact CD2-CH2 4.46Å; L557-W589 HydrophobicContact CD2-CZ3 3.74Å; L557-L592 HydrophobicContact CD2-CD1 3.52Å; L557-I602 HydrophobicContact CD1-CG2 4.1Å; L557-I602 HydrophobicContact CD2-CG2 4.4Å; L557-M605 HydrophobicContact CD1-CE 4.37Å; L557-M606 HydrophobicContact CB-CE 4.06Å; L557-M606 HydrophobicContact CB-SD 3.99Å; L557-M606 HydrophobicContact CD1-CG 4.13Å; L557-M606 HydrophobicContact CD1-SD 3.95Å; L557-M606 HydrophobicContact CD2-CE 4.1Å; L557-M606 HydrophobicContact CD2-CG 3.91Å; L557-M606 HydrophobicContact CD2-SD 4.04Å; L557-M606 HydrophobicContact CG-SD 4.21Å
558	N	93.4	Very high	89.3	Confident	41 Å²	41	33.9 Å²	33.9	22%	0.219	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-49.5	178.8	-176.5	26.4	0	0	0	111.4	Y490 L554 L555 S560 L561 F567	Y490-N558 PolarHBondContact OH-ND2 3.48Å; L554-N558 WeakPolarHBondContact O-CB 3.11Å; L554-N558 PolarHBondContact O-N 3.17Å; L555-N558 PolarHBondContact O-N 3.49Å; N558-S560 PolarHBondContact O-N 3.39Å; N558-L561 PolarHBondContact O-N 3.06Å; N558-L561 VanDerWaalsContact O-N 3.15Å; N558-F567 HydrophobicContact CB-CB 4.11Å; N558-F567 HydrophobicContact CB-CD1 4.18Å; N558-F567 HydrophobicContact CB-CD2 3.91Å; N558-F567 HydrophobicContact CB-CE2 4.37Å; N558-F567 HydrophobicContact CB-CG 3.8Å; N558-F567 WeakPolarHBondContact OD1-CB 3.33Å
559	V	90.8	Very high	89.1	Confident	28 Å²	28	39 Å²	39	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-30.2	177.5	166.9	0	0	0	0	112.9	L555 L557 T694	L555-V559 HydrophobicContact CD1-CG2 3.97Å; L555-V559 HydrophobicContact CG-CG2 4.3Å; L555-V559 VanDerWaalsContact O-CB 3.31Å; L555-V559 WeakPolarHBondContact O-CB 3.49Å; L555-V559 VanDerWaalsContact O-CG2 3.28Å; L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 2.89Å; L557-V559 VanDerWaalsContact C-N 3.35Å; L557-V559 PolarHBondContact O-N 2.97Å; V559-T694 HydrophobicContact CG2-CG2 4.29Å
560	S	89.6	Confident	88.8	Confident	3 Å²	3	39 Å²	39	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-81.1	-17	179.2	80.5	0	0	0	0	114.6	M556 L557 N558 R600	M556-S560 VanDerWaalsContact O-CB 3.26Å; M556-S560 WeakPolarHBondContact O-CB 3.15Å; M556-S560 PolarHBondContact O-N 2.91Å; M556-S560 PolarHBondContact O-OG 3.28Å; L557-S560 PolarHBondContact O-N 2.98Å; L557-S560 PolarHBondContact O-OG 3.04Å; N558-S560 PolarHBondContact O-N 3.39Å; S560-R600 PolarHBondContact O-NH1 2.95Å
561	L	86.7	Confident	88.6	Confident	19 Å²	19	39 Å²	39	10%	0.099	19%	0.187	C	C	.	.	S	Bend	trans	-82.9	138.8	-174.7	-72.9	171.5	0	0	0	111.8	L557 N558 K563 Q566 F567 I602	L557-L561 HydrophobicContact CD1-CD1 4.3Å; L557-L561 HydrophobicContact CD1-CG 4.29Å; L557-L561 HydrophobicContact CG-CD1 4.35Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.27Å; N558-L561 PolarHBondContact O-N 3.06Å; N558-L561 VanDerWaalsContact O-N 3.15Å; L561-K563 PolarHBondContact O-N 3.17Å; L561-Q566 HydrophobicContact CB-CB 4.34Å; L561-Q566 HydrophobicContact CD1-CB 4.42Å; L561-F567 HydrophobicContact CD1-CB 4.07Å; L561-F567 HydrophobicContact CD1-CD2 4.38Å; L561-I602 HydrophobicContact CD2-CD1 3.85Å; L561-I602 HydrophobicContact CD2-CG1 4.4Å
562	P	67.6	Low	88.5	Confident	60 Å²	60	39.9 Å²	39.9	39%	0.39	19%	0.192	S	C	.	.	S	Bend	trans	-76.6	113.4	-179.2	27.7	-29.8	0	0	0	110.9	Q566	P562-Q566 WeakPolarHBondContact O-CG 3.31Å; P562-Q566 PolarHBondContact O-NE2 2.88Å
563	K	64.7	Low	88.4	Confident	174 Å²	174	42.1 Å²	42.1	76%	0.757	20%	0.202	S	C	*	.	S	Bend	trans	81.8	128.9	-174	-47.9	164.9	-175	179.8	0	112.9	L561 Q565 Q566	L561-K563 PolarHBondContact O-N 3.17Å; K563-Q565 PolarHBondContact O-N 2.76Å; K563-Q566 PolarHBondContact O-N 2.91Å; K563-Q566 VanDerWaalsContact O-N 3.13Å
564	E	60.5	Low	88.4	Confident	169 Å²	169	42.2 Å²	42.2	79%	0.79	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.1	-174.5	-64.5	164.1	170.2	0	0	114.5
565	Q	78.1	Confident	88.5	Confident	100 Å²	100	42.2 Å²	42.2	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-86.9	-6.1	-174.6	-60.5	-61.6	-30.9	0	0	114.8	K563 K569	K563-Q565 PolarHBondContact O-N 2.76Å; Q565-K569 WeakPolarHBondContact O-CB 3.43Å; Q565-K569 VanDerWaalsContact O-CG 3.25Å; Q565-K569 WeakPolarHBondContact O-CG 3.28Å; Q565-K569 PolarHBondContact O-N 3.14Å; Q565-K569 VanDerWaalsContact O-N 3.15Å
566	Q	86.8	Confident	88.5	Confident	24 Å²	24	44.8 Å²	44.8	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-69.9	-44.4	179.8	-67.9	-155.1	30.2	0	0	112.4	L561 P562 K563 G570 T597	L561-Q566 HydrophobicContact CB-CB 4.34Å; L561-Q566 HydrophobicContact CD1-CB 4.42Å; P562-Q566 WeakPolarHBondContact O-CG 3.31Å; P562-Q566 PolarHBondContact O-NE2 2.88Å; K563-Q566 PolarHBondContact O-N 2.91Å; K563-Q566 VanDerWaalsContact O-N 3.13Å; Q566-G570 PolarHBondContact O-N 3.14Å; Q566-T597 PolarHBondContact NE2-OG1 2.86Å
567	F	90.1	Very high	88.5	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-53	176.9	-175.3	-96.4	0	0	0	110.7	F487 Y490 L554 L557 N558 L561 K569 G570 I571	F487-F567 HydrophobicContact CE1-CZ 4.1Å; Y490-F567 HydrophobicContact CD1-CE1 4.35Å; Y490-F567 HydrophobicContact CD1-CZ 4.49Å; Y490-F567 AromaticContact CE1-CE1 3.62Å; Y490-F567 HydrophobicContact CE1-CE1 3.62Å; Y490-F567 HydrophobicContact CE1-CZ 4.06Å; L554-F567 HydrophobicContact CB-CZ 4.4Å; L554-F567 HydrophobicContact CD2-CE2 4.2Å; L554-F567 HydrophobicContact CD2-CZ 4.19Å; L557-F567 HydrophobicContact CD2-CD2 4.49Å; L557-F567 HydrophobicContact CD2-CE2 4.26Å; L557-F567 HydrophobicContact CG-CD2 4.4Å; L557-F567 HydrophobicContact CG-CE2 4.48Å; N558-F567 HydrophobicContact CB-CB 4.11Å; N558-F567 HydrophobicContact CB-CD1 4.18Å; N558-F567 HydrophobicContact CB-CD2 3.91Å; N558-F567 HydrophobicContact CB-CE2 4.37Å; N558-F567 HydrophobicContact CB-CG 3.8Å; N558-F567 WeakPolarHBondContact OD1-CB 3.33Å; L561-F567 HydrophobicContact CD1-CB 4.07Å; L561-F567 HydrophobicContact CD1-CD2 4.38Å; F567-K569 PolarHBondContact O-N 2.64Å; F567-G570 PolarHBondContact O-N 3.2Å; F567-I571 HydrophobicContact CD1-CG1 4.08Å; F567-I571 HydrophobicContact CE1-CD1 4.36Å; F567-I571 HydrophobicContact CE1-CG1 3.75Å; F567-I571 HydrophobicContact CE2-CD1 4.49Å; F567-I571 HydrophobicContact CZ-CD1 4.12Å; F567-I571 HydrophobicContact CZ-CG1 4.02Å; F567-I571 WeakPolarHBondContact O-CG1 3.3Å; F567-I571 PolarHBondContact O-N 3.34Å
568	K	92.4	Very high	88.6	Confident	37 Å²	37	49.7 Å²	49.7	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-49.7	-52.3	177.4	-169.9	-171.2	-175.5	-158.5	0	111.9	F406 E408 G570 I571 I572	F406-K568 HydrophobicContact CD2-CD 4.43Å; F406-K568 HydrophobicContact CE1-CG 4.11Å; F406-K568 HydrophobicContact CE2-CD 4.14Å; F406-K568 HydrophobicContact CE2-CG 4.16Å; F406-K568 HydrophobicContact CZ-CB 4.34Å; F406-K568 HydrophobicContact CZ-CD 4.33Å; F406-K568 HydrophobicContact CZ-CG 3.83Å; F406-K568 WeakPolarHBondContact O-CE 3.44Å; F406-K568 PolarHBondContact O-NZ 3.43Å; E408-K568 IonicContact OE1-NZ 2.71Å; K568-G570 VanDerWaalsContact C-N 3.29Å; K568-G570 PolarHBondContact O-N 2.88Å; K568-I571 PolarHBondContact O-N 3.37Å; K568-I572 HydrophobicContact CD-CD1 4.37Å; K568-I572 HydrophobicContact CG-CD1 3.96Å; K568-I572 VanDerWaalsContact O-CG1 3.32Å; K568-I572 WeakPolarHBondContact O-CG1 3.38Å; K568-I572 PolarHBondContact O-N 3.14Å
569	K	92.1	Very high	88.7	Confident	126 Å²	126	53.2 Å²	53.2	55%	0.548	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-37	179.2	-75.7	177.7	178	-168.5	0	113.5	Q565 F567 H573 V595	Q565-K569 WeakPolarHBondContact O-CB 3.43Å; Q565-K569 VanDerWaalsContact O-CG 3.25Å; Q565-K569 WeakPolarHBondContact O-CG 3.28Å; Q565-K569 PolarHBondContact O-N 3.14Å; Q565-K569 VanDerWaalsContact O-N 3.15Å; F567-K569 PolarHBondContact O-N 2.64Å; K569-H573 WeakPolarHBondContact O-CB 3.29Å; K569-H573 PolarHBondContact O-N 3.05Å; K569-V595 HydrophobicContact CB-CG2 4.25Å
570	G	92.8	Very high	88.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-37.3	-179.5	0	0	0	0	0	112.1	Q566 F567 K568 H573 Y574	Q566-G570 PolarHBondContact O-N 3.14Å; F567-G570 PolarHBondContact O-N 3.2Å; K568-G570 VanDerWaalsContact C-N 3.29Å; K568-G570 PolarHBondContact O-N 2.88Å; G570-H573 PolarHBondContact O-N 3.14Å; G570-Y574 WeakPolarHBondContact O-CB 3.21Å; G570-Y574 PolarHBondContact O-N 2.65Å
571	I	95.4	Very high	89.1	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-46.5	171.5	-65	-45.3	0	0	0	111.8	F407 F469 F487 F567 K568 H573 Y574 L575 L588 L592	F407-I571 HydrophobicContact CD1-CG2 4.04Å; F407-I571 HydrophobicContact CE1-CG2 3.95Å; F469-I571 HydrophobicContact CE1-CG2 4.31Å; F469-I571 HydrophobicContact CE2-CG2 4.28Å; F469-I571 HydrophobicContact CZ-CG2 3.48Å; F469-I571 VanDerWaalsContact CZ-CG2 3.48Å; F487-I571 HydrophobicContact CE1-CD1 3.39Å; F487-I571 HydrophobicContact CE1-CG1 4.21Å; F487-I571 HydrophobicContact CZ-CD1 3.57Å; F567-I571 HydrophobicContact CD1-CG1 4.08Å; F567-I571 HydrophobicContact CE1-CD1 4.36Å; F567-I571 HydrophobicContact CE1-CG1 3.75Å; F567-I571 HydrophobicContact CE2-CD1 4.49Å; F567-I571 HydrophobicContact CZ-CD1 4.12Å; F567-I571 HydrophobicContact CZ-CG1 4.02Å; F567-I571 WeakPolarHBondContact O-CG1 3.3Å; F567-I571 PolarHBondContact O-N 3.34Å; K568-I571 PolarHBondContact O-N 3.37Å; I571-H573 VanDerWaalsContact C-N 3.29Å; I571-H573 PolarHBondContact O-N 2.95Å; I571-Y574 WeakPolarHBondContact O-CB 3.33Å; I571-Y574 PolarHBondContact O-N 2.65Å; I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.34Å; I571-L575 WeakPolarHBondContact O-CG 3.29Å; I571-L575 PolarHBondContact O-N 2.73Å; I571-L588 HydrophobicContact CD1-CD1 4.01Å; I571-L592 HydrophobicContact CD1-CD2 4.17Å
572	I	96.3	Very high	89.7	Confident	18 Å²	18	56 Å²	56	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-43.5	175.6	-65.7	169.2	0	0	0	110.6	E408 K568 N576	E408-I572 HydrophobicContact CB-CD1 4.41Å; E408-I572 HydrophobicContact CB-CG2 4.41Å; E408-I572 HydrophobicContact CG-CD1 4.02Å; E408-I572 WeakPolarHBondContact OE1-CD1 3.46Å; K568-I572 HydrophobicContact CD-CD1 4.37Å; K568-I572 HydrophobicContact CG-CD1 3.96Å; K568-I572 VanDerWaalsContact O-CG1 3.32Å; K568-I572 WeakPolarHBondContact O-CG1 3.38Å; K568-I572 PolarHBondContact O-N 3.14Å; I572-N576 WeakPolarHBondContact CG2-ND2 3.48Å; I572-N576 WeakPolarHBondContact O-CB 3.39Å; I572-N576 PolarHBondContact O-N 2.78Å; I572-N576 PolarHBondContact O-ND2 3.4Å
573	H	96.3	Very high	91.1	Very high	49 Å²	49	53.1 Å²	53.1	23%	0.227	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-40.7	178.1	173	65.9	0	0	0	112.5	K569 G570 I571 S577 S591 Q594 V595	K569-H573 WeakPolarHBondContact O-CB 3.29Å; K569-H573 PolarHBondContact O-N 3.05Å; G570-H573 PolarHBondContact O-N 3.14Å; I571-H573 VanDerWaalsContact C-N 3.29Å; I571-H573 PolarHBondContact O-N 2.95Å; H573-S577 PolarHBondContact CE1-OG 2.78Å; H573-S577 VanDerWaalsContact CE1-OG 3.31Å; H573-S577 VanDerWaalsContact O-CB 3.26Å; H573-S577 WeakPolarHBondContact O-CB 3.4Å; H573-S577 PolarHBondContact O-N 3.26Å; H573-S577 PolarHBondContact O-OG 3.4Å; H573-S591 PolarHBondContact CD2-O 3.43Å; H573-Q594 PolarHBondContact NE2-NE2 3.38Å; H573-Q594 PolarHBondContact NE2-OE1 2.76Å; H573-V595 HydrophobicContact CB-CG1 3.97Å
574	Y	97.8	Very high	92.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-54.2	173.5	169.5	-103.7	0	0	0	111.8	F469 V473 G570 I571 N576 S577 F578 T583 L588	F469-Y574 HydrophobicContact CD1-CE1 4.37Å; F469-Y574 HydrophobicContact CE1-CD1 4.31Å; F469-Y574 HydrophobicContact CE1-CE1 4.1Å; V473-Y574 HydrophobicContact CB-CE1 4.46Å; V473-Y574 HydrophobicContact CG1-CE1 4.01Å; G570-Y574 WeakPolarHBondContact O-CB 3.21Å; G570-Y574 PolarHBondContact O-N 2.65Å; I571-Y574 WeakPolarHBondContact O-CB 3.33Å; I571-Y574 PolarHBondContact O-N 2.65Å; Y574-N576 VanDerWaalsContact C-N 3.32Å; Y574-N576 PolarHBondContact O-N 2.99Å; Y574-S577 PolarHBondContact O-N 3Å; Y574-S577 VanDerWaalsContact O-N 3.13Å; Y574-F578 AromaticContact CD2-CD2 3.72Å; Y574-F578 HydrophobicContact CD2-CD2 3.72Å; Y574-F578 HydrophobicContact CD2-CE2 4.04Å; Y574-F578 HydrophobicContact CE2-CD2 4.01Å; Y574-F578 HydrophobicContact CE2-CE2 4.4Å; Y574-F578 HydrophobicContact CG-CD2 4.49Å; Y574-F578 WeakPolarHBondContact O-CD2 3.44Å; Y574-F578 PolarHBondContact O-N 3.4Å; Y574-F578 VanDerWaalsContact O-N 3.07Å; Y574-T583 HydrophobicContact CE2-CG2 3.73Å; Y574-T583 PolarHBondContact OH-OG1 3.3Å; Y574-L588 HydrophobicContact CD1-CD1 4.2Å; Y574-L588 HydrophobicContact CD2-CB 4.23Å; Y574-L588 HydrophobicContact CD2-CD1 4.07Å; Y574-L588 HydrophobicContact CE1-CD1 4.41Å; Y574-L588 HydrophobicContact CE2-CB 3.96Å; Y574-L588 HydrophobicContact CE2-CD1 4.26Å; Y574-L588 HydrophobicContact CG-CD1 4.02Å
575	L	98.2	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-37.7	-178.2	-69.4	173.5	0	0	0	112.8	F407 I409 W468 F469 V473 I571 R579	F407-L575 HydrophobicContact CB-CD1 4.11Å; F407-L575 HydrophobicContact CD1-CD1 3.46Å; F407-L575 VanDerWaalsContact CD1-CD1 3.46Å; F407-L575 HydrophobicContact CD2-CD1 4.5Å; F407-L575 HydrophobicContact CE1-CD1 3.94Å; F407-L575 HydrophobicContact CG-CD1 3.79Å; I409-L575 HydrophobicContact CD1-CB 3.49Å; I409-L575 VanDerWaalsContact CD1-CB 3.49Å; I409-L575 HydrophobicContact CD1-CD1 4.43Å; W468-L575 HydrophobicContact CB-CD1 4.13Å; W468-L575 HydrophobicContact CB-CD2 4.14Å; W468-L575 HydrophobicContact CG-CD1 4.47Å; F469-L575 HydrophobicContact CD1-CD2 4.13Å; F469-L575 HydrophobicContact CE1-CD2 4.03Å; F469-L575 HydrophobicContact CE1-CG 4.44Å; F469-L575 HydrophobicContact CZ-CD1 4.27Å; F469-L575 HydrophobicContact CZ-CD2 4.47Å; V473-L575 HydrophobicContact CB-CD2 4.27Å; V473-L575 HydrophobicContact CG2-CD2 3.84Å; I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.34Å; I571-L575 WeakPolarHBondContact O-CG 3.29Å; I571-L575 PolarHBondContact O-N 2.73Å; L575-R579 WeakPolarHBondContact O-CB 3.44Å; L575-R579 PolarHBondContact O-N 2.78Å
576	N	97	Very high	95.3	Very high	80 Å²	80	42 Å²	42	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-40	174.3	-82.1	-69.8	0	0	0	112.7	I572 Y574 F578	I572-N576 WeakPolarHBondContact CG2-ND2 3.48Å; I572-N576 WeakPolarHBondContact O-CB 3.39Å; I572-N576 PolarHBondContact O-N 2.78Å; I572-N576 PolarHBondContact O-ND2 3.4Å; Y574-N576 VanDerWaalsContact C-N 3.32Å; Y574-N576 PolarHBondContact O-N 2.99Å; N576-F578 VanDerWaalsContact C-N 3.34Å; N576-F578 PolarHBondContact O-N 3.34Å
577	S	97.3	Very high	95.7	Very high	63 Å²	63	43 Å²	43	44%	0.441	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-33.5	-178.1	-61.4	0	0	0	0	113	H573 Y574	H573-S577 PolarHBondContact CE1-OG 2.78Å; H573-S577 VanDerWaalsContact CE1-OG 3.31Å; H573-S577 VanDerWaalsContact O-CB 3.26Å; H573-S577 WeakPolarHBondContact O-CB 3.4Å; H573-S577 PolarHBondContact O-N 3.26Å; H573-S577 PolarHBondContact O-OG 3.4Å; Y574-S577 PolarHBondContact O-N 3Å; Y574-S577 VanDerWaalsContact O-N 3.13Å
578	F	97.2	Very high	96	Very high	45 Å²	45	42.8 Å²	42.8	20%	0.197	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	13	-174.4	-62.6	-76.5	0	0	0	114.2	V473 Y574 N576 G580 S581 T583 D587	V473-F578 HydrophobicContact CG1-CB 3.73Å; V473-F578 HydrophobicContact CG2-CB 4.04Å; Y574-F578 AromaticContact CD2-CD2 3.72Å; Y574-F578 HydrophobicContact CD2-CD2 3.72Å; Y574-F578 HydrophobicContact CD2-CE2 4.04Å; Y574-F578 HydrophobicContact CE2-CD2 4.01Å; Y574-F578 HydrophobicContact CE2-CE2 4.4Å; Y574-F578 HydrophobicContact CG-CD2 4.49Å; Y574-F578 WeakPolarHBondContact O-CD2 3.44Å; Y574-F578 PolarHBondContact O-N 3.4Å; Y574-F578 VanDerWaalsContact O-N 3.07Å; N576-F578 VanDerWaalsContact C-N 3.34Å; N576-F578 PolarHBondContact O-N 3.34Å; F578-G580 PolarHBondContact O-N 2.65Å; F578-S581 WeakPolarHBondContact O-CA 3.34Å; F578-S581 VanDerWaalsContact O-CB 3.29Å; F578-S581 WeakPolarHBondContact O-CB 3.26Å; F578-S581 PolarHBondContact O-N 2.77Å; F578-T583 HydrophobicContact CB-CG2 3.54Å; F578-T583 HydrophobicContact CD1-CG2 3.49Å; F578-T583 VanDerWaalsContact CD1-CG2 3.49Å; F578-T583 HydrophobicContact CD2-CG2 3.66Å; F578-T583 HydrophobicContact CE1-CG2 4.07Å; F578-T583 HydrophobicContact CE2-CG2 4.23Å; F578-T583 HydrophobicContact CG-CG2 3.26Å; F578-T583 HydrophobicContact CZ-CG2 4.41Å; F578-D587 HydrophobicContact CE1-CB 4.24Å; F578-D587 HydrophobicContact CE2-CB 3.84Å; F578-D587 HydrophobicContact CZ-CB 3.59Å
579	R	95.3	Very high	96.1	Very high	114 Å²	114	41 Å²	41	43%	0.43	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	121.4	-178.4	-166.3	178.9	-176.7	161.6	9	112.1	E410 L472 L575 S581	E410-R579 PolarHBondContact O-NH2 3Å; L472-R579 HydrophobicContact CD1-CG 3.58Å; L472-R579 HydrophobicContact CD2-CG 4.06Å; L472-R579 HydrophobicContact CG-CG 3.81Å; L575-R579 WeakPolarHBondContact O-CB 3.44Å; L575-R579 PolarHBondContact O-N 2.78Å; R579-S581 VanDerWaalsContact C-N 3.27Å; R579-S581 PolarHBondContact O-N 3.1Å
580	G	93.1	Very high	96.2	Very high	20 Å²	20	38.3 Å²	38.3	21%	0.206	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.7	179.8	0	0	0	0	0	115	L472 F578	L472-G580 WeakPolarHBondContact O-CA 3.23Å; L472-G580 PolarHBondContact O-N 2.93Å; F578-G580 PolarHBondContact O-N 2.65Å
581	S	95.8	Very high	96.2	Very high	58 Å²	58	38.4 Å²	38.4	41%	0.406	20%	0.202	S	C	.	.	S	Bend	trans	-120.4	-167.8	-178	-56.5	0	0	0	0	111.3	K310 T474 F578 R579	K310-S581 WeakPolarHBondContact CE-O 3.49Å; K310-S581 PolarHBondContact NZ-O 3.29Å; T474-S581 PolarHBondContact N-O 3Å; F578-S581 WeakPolarHBondContact O-CA 3.34Å; F578-S581 VanDerWaalsContact O-CB 3.29Å; F578-S581 WeakPolarHBondContact O-CB 3.26Å; F578-S581 PolarHBondContact O-N 2.77Å; R579-S581 VanDerWaalsContact C-N 3.27Å; R579-S581 PolarHBondContact O-N 3.1Å
582	N	98.3	Very high	95.9	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	164	174.6	-61.3	78.5	0	0	0	110.9	P307 T474 M475	P307-N582 PolarHBondContact O-ND2 3.02Å; T474-N582 CarbonylContact O-C 3.08Å; T474-N582 WeakPolarHBondContact O-CA 3.33Å; M475-N582 PolarHBondContact O-ND2 3.27Å
583	T	98.3	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.3	-173.5	48.3	0	0	0	0	112.7	V473 T474 M475 S476 Y574 F578 D587	V473-T583 HydrophobicContact CG1-CG2 3.57Å; T474-T583 PolarHBondContact O-N 3.18Å; T474-T583 PolarHBondContact O-OG1 3.37Å; M475-T583 CarbonylContact C-O 3.51Å; M475-T583 WeakPolarHBondContact CA-O 3.33Å; S476-T583 PolarHBondContact N-O 2.95Å; S476-T583 PolarHBondContact OG-N 2.75Å; S476-T583 PolarHBondContact OG-O 3.27Å; Y574-T583 HydrophobicContact CE2-CG2 3.73Å; Y574-T583 PolarHBondContact OH-OG1 3.3Å; F578-T583 HydrophobicContact CB-CG2 3.54Å; F578-T583 HydrophobicContact CD1-CG2 3.49Å; F578-T583 VanDerWaalsContact CD1-CG2 3.49Å; F578-T583 HydrophobicContact CD2-CG2 3.66Å; F578-T583 HydrophobicContact CE1-CG2 4.07Å; F578-T583 HydrophobicContact CE2-CG2 4.23Å; F578-T583 HydrophobicContact CG-CG2 3.26Å; F578-T583 HydrophobicContact CZ-CG2 4.41Å; T583-D587 WeakPolarHBondContact CA-OD2 3.2Å; T583-D587 HydrophobicContact CG2-CB 4.14Å
584	E	97.8	Very high	95.1	Very high	115 Å²	115	44.8 Å²	44.8	54%	0.537	23%	0.233	S	C	.	.			trans	-111.6	163.9	168.1	-64.8	178.3	-175.6	0	0	110.5	D480 M586 D587	D480-E584 WeakPolarHBondContact OD2-CA 3.43Å; E584-M586 PolarHBondContact O-N 3.06Å; E584-D587 PolarHBondContact N-OD2 2.95Å; E584-D587 WeakPolarHBondContact O-CB 3.2Å; E584-D587 PolarHBondContact O-N 3.07Å
585	T	96.7	Very high	94.4	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-48.7	-35	-178	-80.1	0	0	0	0	113.9	D480 W482 W589 T610	D480-T585 VanDerWaalsContact CG-OG1 3.23Å; D480-T585 WeakPolarHBondContact OD1-CB 3.37Å; D480-T585 PolarHBondContact OD1-OG1 3.07Å; D480-T585 PolarHBondContact OD2-N 2.99Å; W482-T585 HydrophobicContact CZ2-CG2 4.1Å; W482-T585 PolarHBondContact NE1-OG1 2.74Å; T585-W589 HydrophobicContact CG2-CZ2 4.49Å; T585-W589 VanDerWaalsContact CG2-NE1 3.33Å; T585-W589 PolarHBondContact O-NE1 3Å; T585-T610 HydrophobicContact CG2-CG2 4.49Å
586	M	95.5	Very high	93.2	Very high	81 Å²	81	48.3 Å²	48.3	40%	0.399	26%	0.255	S	S	.	.	H	α-helix	trans	-74.6	-25.5	-178.4	-165.3	59.1	71.4	0	0	113.5	E584 L588 W589 N590 S603	E584-M586 PolarHBondContact O-N 3.06Å; M586-L588 VanDerWaalsContact C-N 3.35Å; M586-L588 PolarHBondContact O-N 2.93Å; M586-W589 PolarHBondContact O-N 2.97Å; M586-W589 HydrophobicContact SD-CB 4.25Å; M586-N590 WeakPolarHBondContact O-CB 3.36Å; M586-N590 PolarHBondContact O-N 3.01Å; M586-N590 PolarHBondContact O-ND2 2.8Å; M586-S603 PolarHBondContact SD-OG 3.03Å
587	D	97.1	Very high	91.5	Very high	45 Å²	45	47.6 Å²	47.6	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-43.5	177.9	-70.2	-42.4	0	0	0	111.2	F578 T583 E584 W589 N590 S591	F578-D587 HydrophobicContact CE1-CB 4.24Å; F578-D587 HydrophobicContact CE2-CB 3.84Å; F578-D587 HydrophobicContact CZ-CB 3.59Å; T583-D587 WeakPolarHBondContact CA-OD2 3.2Å; T583-D587 HydrophobicContact CG2-CB 4.14Å; E584-D587 PolarHBondContact N-OD2 2.95Å; E584-D587 WeakPolarHBondContact O-CB 3.2Å; E584-D587 PolarHBondContact O-N 3.07Å; D587-W589 PolarHBondContact O-N 2.75Å; D587-N590 PolarHBondContact O-N 2.84Å; D587-S591 PolarHBondContact O-N 2.64Å; D587-S591 PolarHBondContact O-OG 2.68Å
588	L	96.5	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-49.6	173.4	175.7	69.3	0	0	0	111.7	W482 L483 F487 I571 Y574 M586 N590 S591 L592	W482-L588 HydrophobicContact CH2-CD2 3.7Å; W482-L588 HydrophobicContact CZ2-CD2 4.29Å; L483-L588 HydrophobicContact CD2-CB 4.32Å; L483-L588 HydrophobicContact CD2-CD2 3.87Å; F487-L588 HydrophobicContact CE2-CD1 4.08Å; F487-L588 HydrophobicContact CE2-CD2 3.57Å; F487-L588 HydrophobicContact CE2-CG 4.47Å; F487-L588 HydrophobicContact CZ-CD1 3.8Å; F487-L588 HydrophobicContact CZ-CD2 3.85Å; F487-L588 HydrophobicContact CZ-CG 4.47Å; I571-L588 HydrophobicContact CD1-CD1 4.01Å; Y574-L588 HydrophobicContact CD1-CD1 4.2Å; Y574-L588 HydrophobicContact CD2-CB 4.23Å; Y574-L588 HydrophobicContact CD2-CD1 4.07Å; Y574-L588 HydrophobicContact CE1-CD1 4.41Å; Y574-L588 HydrophobicContact CE2-CB 3.96Å; Y574-L588 HydrophobicContact CE2-CD1 4.26Å; Y574-L588 HydrophobicContact CG-CD1 4.02Å; M586-L588 VanDerWaalsContact C-N 3.35Å; M586-L588 PolarHBondContact O-N 2.93Å; L588-N590 VanDerWaalsContact C-N 3.33Å; L588-N590 PolarHBondContact O-N 3.04Å; L588-S591 PolarHBondContact O-N 3.18Å; L588-L592 HydrophobicContact CD1-CG 4.48Å; L588-L592 WeakPolarHBondContact O-CG 3.18Å; L588-L592 PolarHBondContact O-N 3.43Å
589	W	94.1	Very high	87.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-38.7	-179.5	-55.2	145.1	0	0	0	112.2	W482 L557 T585 M586 D587 L592 M593 I602 M606 T610	W482-W589 AromaticContact CH2-CH2 3.52Å; W482-W589 HydrophobicContact CH2-CH2 3.52Å; W482-W589 AromaticContact CH2-CZ2 3.5Å; W482-W589 HydrophobicContact CH2-CZ2 3.5Å; W482-W589 VanDerWaalsContact CH2-CZ2 3.5Å; W482-W589 HydrophobicContact CZ2-CH2 4.28Å; W482-W589 AromaticContact CZ2-CZ2 3.8Å; W482-W589 HydrophobicContact CZ2-CZ2 3.8Å; W482-W589 HydrophobicContact CZ3-CH2 4.41Å; L557-W589 HydrophobicContact CD2-CH2 4.46Å; L557-W589 HydrophobicContact CD2-CZ3 3.74Å; T585-W589 HydrophobicContact CG2-CZ2 4.49Å; T585-W589 VanDerWaalsContact CG2-NE1 3.33Å; T585-W589 PolarHBondContact O-NE1 3Å; M586-W589 PolarHBondContact O-N 2.97Å; M586-W589 HydrophobicContact SD-CB 4.25Å; D587-W589 PolarHBondContact O-N 2.75Å; W589-L592 HydrophobicContact CE3-CD1 3.9Å; W589-L592 HydrophobicContact CZ3-CD1 3.91Å; W589-L592 PolarHBondContact O-N 2.62Å; W589-M593 WeakPolarHBondContact O-CB 3.1Å; W589-M593 VanDerWaalsContact O-CG 3.28Å; W589-M593 WeakPolarHBondContact O-CG 3.44Å; W589-M593 PolarHBondContact O-N 2.72Å; W589-I602 HydrophobicContact CE3-CG2 4.31Å; W589-M606 HydrophobicContact CD2-CB 3.71Å; W589-M606 HydrophobicContact CD2-CG 4.34Å; W589-M606 VanDerWaalsContact CE2-CB 3.42Å; W589-M606 HydrophobicContact CE3-CB 3.91Å; W589-M606 HydrophobicContact CE3-CG 4.02Å; W589-M606 HydrophobicContact CG-CB 4.46Å; W589-M606 HydrophobicContact CH2-CB 3.63Å; W589-M606 HydrophobicContact CH2-CE 3.72Å; W589-M606 HydrophobicContact CH2-CG 3.85Å; W589-M606 HydrophobicContact CZ2-CB 3.41Å; W589-M606 VanDerWaalsContact CZ2-CB 3.41Å; W589-M606 HydrophobicContact CZ2-CE 4.31Å; W589-M606 HydrophobicContact CZ2-CG 4.17Å; W589-M606 HydrophobicContact CZ3-CB 3.87Å; W589-M606 HydrophobicContact CZ3-CE 4.32Å; W589-M606 HydrophobicContact CZ3-CG 3.77Å; W589-T610 HydrophobicContact CZ2-CG2 3.9Å
590	N	92.9	Very high	85.9	Confident	68 Å²	68	54.5 Å²	54.5	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-42	173.1	-70	-26.8	0	0	0	111.8	M586 D587 L588 M593 Q594	M586-N590 WeakPolarHBondContact O-CB 3.36Å; M586-N590 PolarHBondContact O-N 3.01Å; M586-N590 PolarHBondContact O-ND2 2.8Å; D587-N590 PolarHBondContact O-N 2.84Å; L588-N590 VanDerWaalsContact C-N 3.33Å; L588-N590 PolarHBondContact O-N 3.04Å; N590-M593 PolarHBondContact O-N 3.29Å; N590-M593 WeakPolarHBondContact OD1-CE 3.33Å; N590-Q594 WeakPolarHBondContact O-CG 3.43Å; N590-Q594 PolarHBondContact O-N 3.21Å
591	S	93.2	Very high	85.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-42.4	175.3	-74.6	0	0	0	0	113.2	H573 D587 L588 Q594	H573-S591 PolarHBondContact CD2-O 3.43Å; D587-S591 PolarHBondContact O-N 2.64Å; D587-S591 PolarHBondContact O-OG 2.68Å; L588-S591 PolarHBondContact O-N 3.18Å; S591-Q594 PolarHBondContact O-N 3.11Å
592	L	90.5	Very high	85	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-42.2	175.6	-64.6	-170	0	0	0	111.6	L557 I571 L588 W589 Q594 V595 S596 I602	L557-L592 HydrophobicContact CD2-CD1 3.52Å; I571-L592 HydrophobicContact CD1-CD2 4.17Å; L588-L592 HydrophobicContact CD1-CG 4.48Å; L588-L592 WeakPolarHBondContact O-CG 3.18Å; L588-L592 PolarHBondContact O-N 3.43Å; W589-L592 HydrophobicContact CE3-CD1 3.9Å; W589-L592 HydrophobicContact CZ3-CD1 3.91Å; W589-L592 PolarHBondContact O-N 2.62Å; L592-Q594 VanDerWaalsContact C-N 3.3Å; L592-Q594 PolarHBondContact O-N 2.89Å; L592-V595 PolarHBondContact O-N 3.09Å; L592-S596 WeakPolarHBondContact O-CB 3.42Å; L592-S596 PolarHBondContact O-N 3.31Å; L592-S596 PolarHBondContact O-OG 3.24Å; L592-I602 HydrophobicContact CB-CD1 4.18Å; L592-I602 HydrophobicContact CB-CG2 4.29Å; L592-I602 HydrophobicContact CD1-CG2 4.19Å
593	M	89.3	Confident	84.6	Confident	62 Å²	62	54 Å²	54	31%	0.305	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-32.5	179.4	-74.8	-171.5	-56.2	0	0	113.3	W589 N590 V595 S596 I602 S603	W589-M593 WeakPolarHBondContact O-CB 3.1Å; W589-M593 VanDerWaalsContact O-CG 3.28Å; W589-M593 WeakPolarHBondContact O-CG 3.44Å; W589-M593 PolarHBondContact O-N 2.72Å; N590-M593 PolarHBondContact O-N 3.29Å; N590-M593 WeakPolarHBondContact OD1-CE 3.33Å; M593-V595 VanDerWaalsContact C-N 3.3Å; M593-V595 PolarHBondContact O-N 2.71Å; M593-S596 PolarHBondContact O-OG 2.65Å; M593-I602 HydrophobicContact CG-CB 4.05Å; M593-S603 VanDerWaalsContact SD-CB 3.57Å
594	Q	86.3	Confident	84.2	Confident	139 Å²	139	59.6 Å²	59.6	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-28	179.3	-79.3	-178.6	66.5	0	0	114.2	H573 N590 S591 L592	H573-Q594 PolarHBondContact NE2-NE2 3.38Å; H573-Q594 PolarHBondContact NE2-OE1 2.76Å; N590-Q594 WeakPolarHBondContact O-CG 3.43Å; N590-Q594 PolarHBondContact O-N 3.21Å; S591-Q594 PolarHBondContact O-N 3.11Å; L592-Q594 VanDerWaalsContact C-N 3.3Å; L592-Q594 PolarHBondContact O-N 2.89Å
595	V	81.8	Confident	84	Confident	58 Å²	58	54.6 Å²	54.6	35%	0.352	29%	0.289	S	S	.	.	H	α-helix	trans	-108.5	-19.4	-178.1	-55.6	0	0	0	0	113.8	K569 H573 L592 M593	K569-V595 HydrophobicContact CB-CG2 4.25Å; H573-V595 HydrophobicContact CB-CG1 3.97Å; L592-V595 PolarHBondContact O-N 3.09Å; M593-V595 VanDerWaalsContact C-N 3.3Å; M593-V595 PolarHBondContact O-N 2.71Å
596	S	72.9	Confident	83.9	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	29%	0.285	C	S	.	.	S	Bend	trans	-75.1	144.4	177.4	72	0	0	0	0	111.4	L592 M593 I602	L592-S596 WeakPolarHBondContact O-CB 3.42Å; L592-S596 PolarHBondContact O-N 3.31Å; L592-S596 PolarHBondContact O-OG 3.24Å; M593-S596 PolarHBondContact O-OG 2.65Å; S596-I602 WeakPolarHBondContact OG-CD1 3.48Å
597	T	62.4	Low	83.9	Confident	66 Å²	66	51.4 Å²	51.4	41%	0.405	28%	0.275	S	S	.	.			trans	-62.7	140.2	173.3	45.4	0	0	0	0	111	Q566 L599	Q566-T597 PolarHBondContact NE2-OG1 2.86Å; T597-L599 PolarHBondContact O-N 2.95Å
598	P	55.5	Low	83.7	Confident	135 Å²	135	50.1 Å²	50.1	88%	0.877	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	22.3	-165.6	29.7	-38.5	0	0	0	116.3
599	L	53.7	Low	83.8	Confident	151 Å²	151	50.1 Å²	50.1	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.3	-176	-70.2	167.3	0	0	0	114.1	T597	T597-L599 PolarHBondContact O-N 2.95Å
600	R	63.3	Low	83.9	Confident	80 Å²	80	50.2 Å²	50.2	30%	0.302	27%	0.271	S	S	.	.	S	Bend	trans	-144.4	133.2	178.1	-68.4	-172.7	173.8	-177	-4.5	111.9	S560 I602 M668	S560-R600 PolarHBondContact O-NH1 2.95Å; R600-I602 PolarHBondContact O-N 3.48Å; R600-M668 PolarHBondContact NH1-SD 2.64Å; R600-M668 VanDerWaalsContact NH2-CE 3.31Å; R600-M668 PolarHBondContact NH2-SD 3.09Å; R600-M668 VanDerWaalsContact NH2-SD 3.45Å
601	N	80.7	Confident	84	Confident	77 Å²	77	50.7 Å²	50.7	41%	0.412	28%	0.279	S	S	.	.			trans	-77.9	86.4	171.4	-170.5	-7	0	0	0	109.9	S603 E604 M605	N601-S603 VanDerWaalsContact C-N 3.27Å; N601-S603 PolarHBondContact O-N 2.98Å; N601-E604 HydrophobicContact CB-CB 3.97Å; N601-E604 WeakPolarHBondContact ND2-CB 3.47Å; N601-E604 PolarHBondContact ND2-OE2 2.82Å; N601-E604 PolarHBondContact O-N 3.05Å; N601-E604 PolarHBondContact OD1-N 3.36Å; N601-E604 VanDerWaalsContact OD1-N 3.16Å; N601-M605 PolarHBondContact O-N 2.77Å
602	I	88.5	Confident	84	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-40.5	-179.6	-63.5	176.2	0	0	0	110.7	L557 L561 W589 L592 M593 S596 R600 M605 M606	L557-I602 HydrophobicContact CD1-CG2 4.1Å; L557-I602 HydrophobicContact CD2-CG2 4.4Å; L561-I602 HydrophobicContact CD2-CD1 3.85Å; L561-I602 HydrophobicContact CD2-CG1 4.4Å; W589-I602 HydrophobicContact CE3-CG2 4.31Å; L592-I602 HydrophobicContact CB-CD1 4.18Å; L592-I602 HydrophobicContact CB-CG2 4.29Å; L592-I602 HydrophobicContact CD1-CG2 4.19Å; M593-I602 HydrophobicContact CG-CB 4.05Å; S596-I602 WeakPolarHBondContact OG-CD1 3.48Å; R600-I602 PolarHBondContact O-N 3.48Å; I602-M605 PolarHBondContact O-N 3.36Å; I602-M606 HydrophobicContact CG2-CG 3.99Å; I602-M606 WeakPolarHBondContact O-CB 3.27Å; I602-M606 WeakPolarHBondContact O-CG 3.45Å; I602-M606 PolarHBondContact O-N 2.68Å
603	S	90.1	Very high	84.1	Confident	18 Å²	18	54.7 Å²	54.7	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-49.2	178.8	174	0	0	0	0	112	M586 M593 N601 M605 M606 S607	M586-S603 PolarHBondContact SD-OG 3.03Å; M593-S603 VanDerWaalsContact SD-CB 3.57Å; N601-S603 VanDerWaalsContact C-N 3.27Å; N601-S603 PolarHBondContact O-N 2.98Å; S603-M605 PolarHBondContact O-N 2.98Å; S603-M606 PolarHBondContact O-N 2.87Å; S603-S607 WeakPolarHBondContact O-CB 3.48Å; S603-S607 PolarHBondContact O-N 3.32Å; S603-S607 PolarHBondContact O-OG 3.3Å
604	E	90	Very high	84.3	Confident	117 Å²	117	51.8 Å²	51.8	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-43	176.9	176.5	-179.5	-175.9	0	0	112.3	N601 S608	N601-E604 HydrophobicContact CB-CB 3.97Å; N601-E604 WeakPolarHBondContact ND2-CB 3.47Å; N601-E604 PolarHBondContact ND2-OE2 2.82Å; N601-E604 PolarHBondContact O-N 3.05Å; N601-E604 PolarHBondContact OD1-N 3.36Å; N601-E604 VanDerWaalsContact OD1-N 3.16Å; E604-S608 PolarHBondContact O-N 3.08Å
605	M	92.4	Very high	84.8	Confident	9 Å²	9	45.2 Å²	45.2	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-57.2	175.7	172	174.3	157.9	0	0	110.9	L557 N601 I602 S603 S608 N649 P651	L557-M605 HydrophobicContact CD1-CE 4.37Å; N601-M605 PolarHBondContact O-N 2.77Å; I602-M605 PolarHBondContact O-N 3.36Å; S603-M605 PolarHBondContact O-N 2.98Å; M605-S608 WeakPolarHBondContact O-CB 3.39Å; M605-S608 PolarHBondContact O-N 3.4Å; M605-S608 VanDerWaalsContact O-N 3.17Å; M605-S608 PolarHBondContact O-OG 3.3Å; M605-N649 HydrophobicContact CB-CB 4.07Å; M605-N649 HydrophobicContact CG-CB 4.09Å; M605-P651 HydrophobicContact CE-CB 4.45Å; M605-P651 HydrophobicContact CE-CG 3.77Å
606	M	95.6	Very high	85.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-75.2	-28.1	-172	-63.1	-51.4	-67.1	0	0	113.4	I553 L557 W589 I602 S603 S608 W609 T610	I553-M606 HydrophobicContact CB-CE 4.03Å; I553-M606 HydrophobicContact CD1-CE 4.13Å; I553-M606 HydrophobicContact CG1-CE 4.15Å; L557-M606 HydrophobicContact CB-CE 4.06Å; L557-M606 HydrophobicContact CB-SD 3.99Å; L557-M606 HydrophobicContact CD1-CG 4.13Å; L557-M606 HydrophobicContact CD1-SD 3.95Å; L557-M606 HydrophobicContact CD2-CE 4.1Å; L557-M606 HydrophobicContact CD2-CG 3.91Å; L557-M606 HydrophobicContact CD2-SD 4.04Å; L557-M606 HydrophobicContact CG-SD 4.21Å; W589-M606 HydrophobicContact CD2-CB 3.71Å; W589-M606 HydrophobicContact CD2-CG 4.34Å; W589-M606 VanDerWaalsContact CE2-CB 3.42Å; W589-M606 HydrophobicContact CE3-CB 3.91Å; W589-M606 HydrophobicContact CE3-CG 4.02Å; W589-M606 HydrophobicContact CG-CB 4.46Å; W589-M606 HydrophobicContact CH2-CB 3.63Å; W589-M606 HydrophobicContact CH2-CE 3.72Å; W589-M606 HydrophobicContact CH2-CG 3.85Å; W589-M606 HydrophobicContact CZ2-CB 3.41Å; W589-M606 VanDerWaalsContact CZ2-CB 3.41Å; W589-M606 HydrophobicContact CZ2-CE 4.31Å; W589-M606 HydrophobicContact CZ2-CG 4.17Å; W589-M606 HydrophobicContact CZ3-CB 3.87Å; W589-M606 HydrophobicContact CZ3-CE 4.32Å; W589-M606 HydrophobicContact CZ3-CG 3.77Å; I602-M606 HydrophobicContact CG2-CG 3.99Å; I602-M606 WeakPolarHBondContact O-CB 3.27Å; I602-M606 WeakPolarHBondContact O-CG 3.45Å; I602-M606 PolarHBondContact O-N 2.68Å; S603-M606 PolarHBondContact O-N 2.87Å; M606-S608 PolarHBondContact O-N 3.45Å; M606-W609 WeakPolarHBondContact O-CA 3.13Å; M606-W609 PolarHBondContact O-N 3.48Å; M606-T610 PolarHBondContact O-N 2.59Å; M606-T610 PolarHBondContact O-OG1 3.04Å
607	S	94.4	Very high	86.7	Confident	28 Å²	28	41.7 Å²	41.7	20%	0.196	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-36.7	168.7	-62.6	0	0	0	0	111.5	S603 W609 T610 S611	S603-S607 WeakPolarHBondContact O-CB 3.48Å; S603-S607 PolarHBondContact O-N 3.32Å; S603-S607 PolarHBondContact O-OG 3.3Å; S607-W609 PolarHBondContact O-N 2.78Å; S607-T610 PolarHBondContact O-N 2.93Å; S607-S611 WeakPolarHBondContact O-CB 3.34Å; S607-S611 PolarHBondContact O-N 2.82Å; S607-S611 PolarHBondContact O-OG 3.03Å
608	S	94.4	Very high	88.4	Confident	18 Å²	18	38.5 Å²	38.5	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-17.7	174.6	81.1	0	0	0	0	113.8	E604 M605 M606 Q612 W648 N649	E604-S608 PolarHBondContact O-N 3.08Å; M605-S608 WeakPolarHBondContact O-CB 3.39Å; M605-S608 PolarHBondContact O-N 3.4Å; M605-S608 VanDerWaalsContact O-N 3.17Å; M605-S608 PolarHBondContact O-OG 3.3Å; M606-S608 PolarHBondContact O-N 3.45Å; S608-Q612 WeakPolarHBondContact O-CG 3.49Å; S608-Q612 PolarHBondContact O-NE2 3.17Å; S608-W648 PolarHBondContact O-NE1 2.98Å; S608-N649 PolarHBondContact OG-N 3.16Å; S608-N649 VanDerWaalsContact OG-N 3.09Å
609	W	97.1	Very high	90.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-96.2	-29	177.1	-68.1	105	0	0	0	113.4	I553 M556 M606 S607 F615 P616 W648 N649 I650 F696	I553-W609 HydrophobicContact CD1-CB 4.21Å; I553-W609 HydrophobicContact CG2-CB 4.31Å; I553-W609 HydrophobicContact CG2-CE3 4.32Å; M556-W609 HydrophobicContact CE-CD2 3.51Å; M556-W609 HydrophobicContact CE-CE3 4.04Å; M556-W609 HydrophobicContact CE-CG 3.87Å; M556-W609 HydrophobicContact CE-CH2 4.18Å; M556-W609 HydrophobicContact CE-CZ2 3.69Å; M556-W609 HydrophobicContact CE-CZ3 4.35Å; M556-W609 HydrophobicContact SD-CH2 4.23Å; M556-W609 HydrophobicContact SD-CZ2 3.92Å; M606-W609 WeakPolarHBondContact O-CA 3.13Å; M606-W609 PolarHBondContact O-N 3.48Å; S607-W609 PolarHBondContact O-N 2.78Å; W609-F615 HydrophobicContact CZ3-CB 4.32Å; W609-P616 VanDerWaalsContact CH2-CD 3.45Å; W609-P616 HydrophobicContact CH2-CG 3.69Å; W609-P616 HydrophobicContact CZ2-CG 4.48Å; W609-P616 HydrophobicContact CZ3-CG 4.32Å; W609-W648 AromaticContact CD2-CD1 3.51Å; W609-W648 HydrophobicContact CD2-CG 4.41Å; W609-W648 AromaticContact CE2-CD1 3.8Å; W609-W648 AromaticContact CE3-CD1 3.38Å; W609-W648 HydrophobicContact CE3-CG 4.34Å; W609-W648 AromaticContact CE3-NE1 3.81Å; W609-W648 HydrophobicContact CH2-CB 4.17Å; W609-W648 AromaticContact CH2-CD1 3.92Å; W609-W648 HydrophobicContact CH2-CG 4.14Å; W609-W648 HydrophobicContact CZ2-CB 3.81Å; W609-W648 HydrophobicContact CZ2-CG 4.18Å; W609-W648 AromaticContact CZ3-CD1 3.59Å; W609-W648 HydrophobicContact CZ3-CG 4.21Å; W609-N649 PolarHBondContact NE1-O 3.06Å; W609-I650 HydrophobicContact CZ2-CB 4.44Å; W609-I650 HydrophobicContact CZ2-CG1 4.09Å; W609-I650 HydrophobicContact CZ2-CG2 4.41Å; W609-F696 WeakPolarHBondContact CH2-O 3.18Å; W609-F696 HydrophobicContact CZ3-CB 4.19Å; W609-F696 HydrophobicContact CZ3-CD1 4.26Å; W609-F696 WeakPolarHBondContact CZ3-O 3.06Å
610	T	97.1	Very high	92.4	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-96.2	-36.3	-177.4	53.9	0	0	0	0	115.1	W482 P527 V528 S529 I553 T585 W589 M606 S607 Q612	W482-T610 HydrophobicContact CH2-CG2 4.2Å; W482-T610 HydrophobicContact CZ2-CG2 3.84Å; P527-T610 WeakPolarHBondContact CB-O 3.32Å; V528-T610 HydrophobicContact CB-CG2 4.35Å; V528-T610 HydrophobicContact CG1-CG2 4.49Å; V528-T610 PolarHBondContact N-O 3.06Å; V528-T610 VanDerWaalsContact N-O 3.08Å; S529-T610 PolarHBondContact N-O 3.43Å; S529-T610 VanDerWaalsContact N-O 3.09Å; I553-T610 HydrophobicContact CD1-CG2 3.73Å; T585-T610 HydrophobicContact CG2-CG2 4.49Å; W589-T610 HydrophobicContact CZ2-CG2 3.9Å; M606-T610 PolarHBondContact O-N 2.59Å; M606-T610 PolarHBondContact O-OG1 3.04Å; S607-T610 PolarHBondContact O-N 2.93Å; T610-Q612 PolarHBondContact O-N 3.12Å
611	S	94.5	Very high	93.9	Very high	77 Å²	77	25.9 Å²	25.9	54%	0.538	15%	0.147	S	C	.	.	S	Bend	trans	-84.6	-4.9	-172.4	68.1	0	0	0	0	115.3	S607	S607-S611 WeakPolarHBondContact O-CB 3.34Å; S607-S611 PolarHBondContact O-N 2.82Å; S607-S611 PolarHBondContact O-OG 3.03Å
612	Q	92.8	Very high	94.4	Very high	35 Å²	35	25.9 Å²	25.9	16%	0.164	14%	0.141	C	C	.	.	S	Bend	trans	-134	146	178.3	61.2	-176.1	2.7	0	0	112.3	S608 T610 R647 W648	S608-Q612 WeakPolarHBondContact O-CG 3.49Å; S608-Q612 PolarHBondContact O-NE2 3.17Å; T610-Q612 PolarHBondContact O-N 3.12Å; Q612-R647 PolarHBondContact NE2-O 3.35Å; Q612-W648 HydrophobicContact CG-CZ2 4.31Å
613	K	92.9	Very high	94.5	Very high	55 Å²	55	33.6 Å²	33.6	24%	0.239	18%	0.175	C	C	.	.	S	Bend	trans	-76.5	155.9	176.1	72.5	178.6	-178.5	-177.3	0	112.4	N523 S525 H526 P527 R646	N523-K613 PolarHBondContact O-NZ 3.49Å; N523-K613 WeakPolarHBondContact OD1-CE 3.35Å; N523-K613 PolarHBondContact OD1-NZ 2.82Å; S525-K613 WeakPolarHBondContact O-CD 3.36Å; H526-K613 WeakPolarHBondContact O-CB 3.48Å; P527-K613 HydrophobicContact CG-CB 4.43Å; K613-R646 PolarHBondContact O-NH1 2.89Å
614	G	94.3	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	76.2	-175.3	-177	0	0	0	0	0	113.3	D520 K549 W648	D520-G614 VanDerWaalsContact CG-CA 3.41Å; D520-G614 WeakPolarHBondContact O-CA 3.24Å; D520-G614 WeakPolarHBondContact OD1-CA 3.46Å; D520-G614 PolarHBondContact OD1-N 3.2Å; D520-G614 WeakPolarHBondContact OD2-CA 3.27Å; D520-G614 PolarHBondContact OD2-N 3.04Å; K549-G614 PolarHBondContact NZ-O 3.06Å; K549-G614 VanDerWaalsContact NZ-O 3.07Å; G614-W648 WeakPolarHBondContact O-CZ2 3.44Å
615	F	96.6	Very high	94.4	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.1	-178.8	58.2	-90.3	0	0	0	109.8	L517 D520 A521 W609 F634 F696 V698	L517-F615 HydrophobicContact CB-CE1 4.21Å; L517-F615 HydrophobicContact CB-CZ 4.12Å; L517-F615 HydrophobicContact CD2-CD1 3.8Å; L517-F615 HydrophobicContact CD2-CD2 3.73Å; L517-F615 HydrophobicContact CD2-CE1 3.8Å; L517-F615 HydrophobicContact CD2-CE2 3.73Å; L517-F615 HydrophobicContact CD2-CG 3.77Å; L517-F615 HydrophobicContact CD2-CZ 3.75Å; L517-F615 WeakPolarHBondContact O-CE1 3.43Å; D520-F615 HydrophobicContact CB-CD1 4.13Å; D520-F615 HydrophobicContact CB-CE1 4.3Å; A521-F615 HydrophobicContact CB-CE1 3.99Å; A521-F615 HydrophobicContact CB-CZ 4.04Å; W609-F615 HydrophobicContact CZ3-CB 4.32Å; F615-F634 HydrophobicContact CD2-CB 3.91Å; F615-F634 HydrophobicContact CD2-CG 4.48Å; F615-F634 HydrophobicContact CE1-CD1 4.28Å; F615-F634 HydrophobicContact CE2-CB 3.52Å; F615-F634 AromaticContact CE2-CD1 3.6Å; F615-F634 HydrophobicContact CE2-CD1 3.6Å; F615-F634 HydrophobicContact CE2-CD2 4.46Å; F615-F634 HydrophobicContact CE2-CE1 4.44Å; F615-F634 AromaticContact CE2-CG 3.61Å; F615-F634 HydrophobicContact CE2-CG 3.61Å; F615-F634 HydrophobicContact CZ-CB 4.06Å; F615-F634 AromaticContact CZ-CD1 3.35Å; F615-F634 HydrophobicContact CZ-CD1 3.35Å; F615-F634 HydrophobicContact CZ-CE1 4.02Å; F615-F634 AromaticContact CZ-CG 3.9Å; F615-F634 HydrophobicContact CZ-CG 3.9Å; F615-F634 PolarHBondContact O-N 3Å; F615-F696 HydrophobicContact CB-CD1 3.75Å; F615-F696 HydrophobicContact CB-CE1 3.86Å; F615-F696 AromaticContact CD1-CE1 3.91Å; F615-F696 HydrophobicContact CD1-CE1 3.91Å; F615-F696 HydrophobicContact CG-CD1 4.34Å; F615-F696 HydrophobicContact CG-CE1 4.13Å; F615-V698 HydrophobicContact CE2-CB 4.09Å; F615-V698 HydrophobicContact CE2-CG2 3.59Å; F615-V698 HydrophobicContact CZ-CG2 4.23Å
616	P	96.8	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	145.2	-179.5	28.7	-27.5	0	0	0	112.9	W609 Q631 E632 W648 I650 Y697 V698	W609-P616 VanDerWaalsContact CH2-CD 3.45Å; W609-P616 HydrophobicContact CH2-CG 3.69Å; W609-P616 HydrophobicContact CZ2-CG 4.48Å; W609-P616 HydrophobicContact CZ3-CG 4.32Å; P616-Q631 HydrophobicContact CB-CB 4.4Å; P616-E632 CarbonylContact C-O 3.6Å; P616-E632 WeakPolarHBondContact CA-O 3.07Å; P616-W648 HydrophobicContact CB-CD2 4.15Å; P616-W648 HydrophobicContact CB-CE3 3.67Å; P616-W648 HydrophobicContact CB-CZ3 4.15Å; P616-W648 HydrophobicContact CG-CB 4.13Å; P616-W648 HydrophobicContact CG-CD2 4.01Å; P616-W648 HydrophobicContact CG-CE3 4.07Å; P616-W648 HydrophobicContact CG-CG 4.05Å; P616-I650 HydrophobicContact CB-CD1 3.65Å; P616-I650 HydrophobicContact CG-CD1 3.37Å; P616-I650 HydrophobicContact CG-CG1 3.87Å; P616-Y697 WeakPolarHBondContact O-CB 3.48Å; P616-V698 PolarHBondContact O-N 3.07Å
617	L	96.9	Very high	94.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.3	151.2	177.3	54.5	0	0	0	108.4	Q631 E632 F634 V698 D700 L735	L617-Q631 WeakPolarHBondContact O-CA 3.42Å; L617-E632 HydrophobicContact CB-CG 4.06Å; L617-E632 HydrophobicContact CD2-CG 4.33Å; L617-E632 HydrophobicContact CG-CG 4.5Å; L617-E632 PolarHBondContact N-O 3.13Å; L617-E632 PolarHBondContact O-N 2.68Å; L617-E632 VanDerWaalsContact O-N 3.09Å; L617-F634 HydrophobicContact CB-CB 4.19Å; L617-F634 HydrophobicContact CB-CD2 4.13Å; L617-F634 HydrophobicContact CD1-CD2 4.38Å; L617-V698 HydrophobicContact CD1-CB 4.45Å; L617-V698 HydrophobicContact CD1-CG1 3.99Å; L617-D700 HydrophobicContact CD1-CB 3.99Å; L617-L735 HydrophobicContact CD1-CD2 3.83Å; L617-L735 HydrophobicContact CD2-CD2 4.02Å
618	V	98	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.3	171.1	178.5	0	0	0	0	109	S630 I650 I652 L689 Y697 V698 V699 D700	V618-S630 WeakPolarHBondContact CA-O 3.49Å; V618-I650 HydrophobicContact CG2-CD1 3.77Å; V618-I650 HydrophobicContact CG2-CG2 4.5Å; V618-I652 HydrophobicContact CG1-CD1 3.8Å; V618-I652 HydrophobicContact CG2-CD1 4.46Å; V618-L689 HydrophobicContact CG1-CD1 4.04Å; V618-Y697 HydrophobicContact CB-CD2 4.08Å; V618-Y697 HydrophobicContact CB-CE2 4.42Å; V618-Y697 HydrophobicContact CG2-CD2 3.59Å; V618-Y697 HydrophobicContact CG2-CE2 4.1Å; V618-Y697 HydrophobicContact CG2-CG 4.12Å; V618-V698 PolarHBondContact N-O 3.49Å; V618-V699 VanDerWaalsContact O-CA 3.31Å; V618-V699 WeakPolarHBondContact O-CA 3.33Å; V618-D700 PolarHBondContact O-N 3.33Å
619	T	97.4	Very high	94.7	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.1	173	-53.4	0	0	0	0	110.4	F629 S630 D700	T619-F629 WeakPolarHBondContact O-CA 3.41Å; T619-S630 PolarHBondContact N-O 2.62Å; T619-S630 PolarHBondContact O-N 2.95Å; T619-D700 CarbonylContact C-O 3.56Å; T619-D700 VanDerWaalsContact CA-O 3.3Å; T619-D700 WeakPolarHBondContact CA-O 3.44Å; T619-D700 HydrophobicContact CG2-CB 4.45Å
620	L	96.9	Very high	94.7	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.8	169.2	179.2	61.8	0	0	0	110.2	A627 F629 I687 L689 D700 Y701	L620-A627 HydrophobicContact CD1-CB 4.07Å; L620-F629 HydrophobicContact CD1-CD1 3.82Å; L620-F629 HydrophobicContact CD1-CE1 3.71Å; L620-I687 HydrophobicContact CD2-CB 3.91Å; L620-I687 HydrophobicContact CD2-CD1 4.41Å; L620-I687 HydrophobicContact CD2-CG2 4.04Å; L620-L689 HydrophobicContact CB-CD1 4.07Å; L620-L689 HydrophobicContact CD2-CD2 4.45Å; L620-L689 HydrophobicContact CD2-CG 4.41Å; L620-D700 PolarHBondContact N-O 2.88Å; L620-Y701 HydrophobicContact CB-CD1 4.41Å; L620-Y701 HydrophobicContact CD2-CD1 4.01Å
621	S	94.8	Very high	94.7	Very high	60 Å²	60	37.5 Å²	37.5	42%	0.42	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128	167.5	-178.8	0	0	0	0	109.4	T628	S621-T628 PolarHBondContact N-O 2.75Å; S621-T628 PolarHBondContact O-N 2.82Å
622	R	91.1	Very high	94.7	Very high	77 Å²	77	36.9 Å²	36.9	29%	0.291	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.4	178.8	-172.7	177.8	175.7	-164.4	2.2	111.2	G624 M626 P681 E682 V684	R622-G624 PolarHBondContact NE-O 3.13Å; R622-M626 WeakPolarHBondContact CA-O 3.22Å; R622-P681 PolarHBondContact NH2-O 2.87Å; R622-E682 PolarHBondContact NH2-O 3.14Å; R622-V684 PolarHBondContact NH1-O 3.37Å; R622-V684 PolarHBondContact NH2-O 3.26Å
623	K	89.9	Confident	94.7	Very high	166 Å²	166	37.4 Å²	37.4	72%	0.722	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	106.1	172.7	-65	-176	-179	179.4	0	108.7	D625 M626	K623-D625 PolarHBondContact O-N 3.15Å; K623-M626 PolarHBondContact N-O 3.03Å; K623-M626 PolarHBondContact O-N 2.87Å; K623-M626 VanDerWaalsContact O-N 3.08Å
624	G	88.1	Confident	94.7	Very high	42 Å²	42	35 Å²	35	43%	0.433	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-128.3	-173.4	0	0	0	0	0	112	R622 M626	R622-G624 PolarHBondContact NE-O 3.13Å; G624-M626 PolarHBondContact O-N 3.3Å
625	D	91.5	Very high	94.5	Very high	54 Å²	54	35.9 Å²	35.9	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-2.4	176.8	85.5	-34	0	0	0	114.8	K623 K679 V680 E682	K623-D625 PolarHBondContact O-N 3.15Å; D625-K679 CarbonylContact O-C 3.51Å; D625-K679 VanDerWaalsContact O-CA 3.31Å; D625-K679 WeakPolarHBondContact O-CA 3.43Å; D625-K679 IonicContact OD2-NZ 2.84Å; D625-K679 PolarHBondContact OD2-NZ 2.99Å; D625-V680 CarbonylContact C-O 3.59Å; D625-V680 VanDerWaalsContact CA-O 3.25Å; D625-V680 WeakPolarHBondContact CA-O 3.48Å; D625-V680 PolarHBondContact O-N 2.79Å; D625-V680 VanDerWaalsContact O-O 3.05Å; D625-E682 HydrophobicContact CB-CG 3.93Å; D625-E682 PolarHBondContact N-OE1 3.03Å
626	M	94.4	Very high	94	Very high	85 Å²	85	36.3 Å²	36.3	42%	0.419	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.5	-173.1	-164.9	175.2	-63.1	0	0	112.3	R622 K623 G624	R622-M626 WeakPolarHBondContact CA-O 3.22Å; K623-M626 PolarHBondContact N-O 3.03Å; K623-M626 PolarHBondContact O-N 2.87Å; K623-M626 VanDerWaalsContact O-N 3.08Å; G624-M626 PolarHBondContact O-N 3.3Å
627	A	94.8	Very high	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.3	167.4	0	0	0	0	0	109.3	L620 F629 S677 L678 V680 I687	L620-A627 HydrophobicContact CD1-CB 4.07Å; A627-F629 HydrophobicContact CB-CZ 4.26Å; A627-S677 CarbonylContact O-C 3.57Å; A627-S677 WeakPolarHBondContact O-CA 3.43Å; A627-S677 WeakPolarHBondContact O-CB 3.37Å; A627-L678 PolarHBondContact N-O 2.93Å; A627-L678 PolarHBondContact O-N 2.87Å; A627-V680 HydrophobicContact CB-CG2 3.78Å; A627-I687 HydrophobicContact CB-CD1 4.26Å
628	T	96.7	Very high	91.3	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.27	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.9	177.3	-60.6	0	0	0	0	109.6	S621 G676 S677	S621-T628 PolarHBondContact N-O 2.75Å; S621-T628 PolarHBondContact O-N 2.82Å; T628-G676 WeakPolarHBondContact CA-O 3.24Å; T628-S677 PolarHBondContact OG1-OG 2.92Å
629	F	96.4	Very high	89.2	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	175.5	-41.5	-78.4	0	0	0	108.8	T619 L620 A627 I652 L654 F669 L671 S675 G676 L678 L689	T619-F629 WeakPolarHBondContact O-CA 3.41Å; L620-F629 HydrophobicContact CD1-CD1 3.82Å; L620-F629 HydrophobicContact CD1-CE1 3.71Å; A627-F629 HydrophobicContact CB-CZ 4.26Å; F629-I652 HydrophobicContact CB-CD1 4.01Å; F629-I652 HydrophobicContact CD1-CD1 4.43Å; F629-I652 HydrophobicContact CG-CD1 4.16Å; F629-L654 HydrophobicContact CE1-CD2 4.28Å; F629-L654 HydrophobicContact CZ-CD2 3.87Å; F629-F669 AromaticContact CD2-CD1 3.79Å; F629-F669 HydrophobicContact CD2-CD1 3.79Å; F629-F669 AromaticContact CD2-CE1 3.79Å; F629-F669 HydrophobicContact CD2-CE1 3.79Å; F629-F669 HydrophobicContact CD2-CG 4.32Å; F629-F669 HydrophobicContact CD2-CZ 4.31Å; F629-F669 AromaticContact CE2-CD1 3.98Å; F629-F669 HydrophobicContact CE2-CD1 3.98Å; F629-F669 HydrophobicContact CE2-CD2 4.34Å; F629-F669 HydrophobicContact CE2-CE1 4.25Å; F629-F669 HydrophobicContact CE2-CG 4.03Å; F629-L671 HydrophobicContact CB-CD2 4.15Å; F629-S675 CarbonylContact O-C 3.39Å; F629-S675 WeakPolarHBondContact O-CA 3.49Å; F629-S675 WeakPolarHBondContact O-CB 3.37Å; F629-G676 PolarHBondContact N-O 3.06Å; F629-G676 PolarHBondContact O-N 3.4Å; F629-L678 HydrophobicContact CE2-CB 3.78Å; F629-L678 HydrophobicContact CZ-CB 4.15Å; F629-L689 HydrophobicContact CD1-CD1 3.88Å; F629-L689 HydrophobicContact CD1-CD2 4.47Å; F629-L689 HydrophobicContact CE1-CD1 4.09Å; F629-L689 HydrophobicContact CE1-CD2 3.85Å
630	S	97.1	Very high	86.7	Confident	42 Å²	42	52.3 Å²	52.3	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	168.8	57.1	0	0	0	0	111.6	V618 T619 K674	V618-S630 WeakPolarHBondContact CA-O 3.49Å; T619-S630 PolarHBondContact N-O 2.62Å; T619-S630 PolarHBondContact O-N 2.95Å; S630-K674 CarbonylContact C-O 3.56Å; S630-K674 VanDerWaalsContact CA-O 3.29Å; S630-K674 WeakPolarHBondContact CA-O 3.17Å
631	Q	96.3	Very high	84.3	Confident	7 Å²	7	56 Å²	56	3%	0.033	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.3	176.5	63.8	167.9	-63.9	0	0	112.9	P616 L617 W648 I650 L671 E673 K674	P616-Q631 HydrophobicContact CB-CB 4.4Å; L617-Q631 WeakPolarHBondContact O-CA 3.42Å; Q631-W648 PolarHBondContact NE2-O 2.9Å; Q631-W648 PolarHBondContact OE1-O 3.46Å; Q631-I650 HydrophobicContact CB-CD1 3.82Å; Q631-I650 HydrophobicContact CG-CD1 4.45Å; Q631-L671 HydrophobicContact CB-CD2 3.96Å; Q631-L671 HydrophobicContact CG-CD2 4.14Å; Q631-L671 PolarHBondContact NE2-O 3.47Å; Q631-E673 PolarHBondContact NE2-O 3.42Å; Q631-K674 PolarHBondContact N-O 3.23Å
632	E	94.1	Very high	82.1	Confident	65 Å²	65	56.8 Å²	56.8	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.2	166.6	65.4	-169	132.9	0	0	110	P616 L617 F634 R740	P616-E632 CarbonylContact C-O 3.6Å; P616-E632 WeakPolarHBondContact CA-O 3.07Å; L617-E632 HydrophobicContact CB-CG 4.06Å; L617-E632 HydrophobicContact CD2-CG 4.33Å; L617-E632 HydrophobicContact CG-CG 4.5Å; L617-E632 PolarHBondContact N-O 3.13Å; L617-E632 PolarHBondContact O-N 2.68Å; L617-E632 VanDerWaalsContact O-N 3.09Å; E632-F634 PolarHBondContact O-N 3.42Å; E632-R740 IonicContact OE1-CZ 2.73Å; E632-R740 IonicContact OE1-NH1 2.9Å; E632-R740 PolarHBondContact OE1-NH1 3.37Å; E632-R740 IonicContact OE1-NH2 2.88Å; E632-R740 PolarHBondContact OE1-NH2 3.06Å; E632-R740 IonicContact OE2-CZ 2.81Å; E632-R740 IonicContact OE2-NH2 3.9Å; E632-R740 PolarHBondContact OE2-NH2 2.88Å
633	P	93.6	Very high	80.1	Confident	46 Å²	46	63.3 Å²	63.3	30%	0.299	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.4	177.5	-21.7	34.5	0	0	0	111.9	R646 W648	P633-R646 HydrophobicContact CG-CB 3.94Å; P633-W648 HydrophobicContact CB-CH2 3.91Å; P633-W648 HydrophobicContact CB-CZ3 4.06Å; P633-W648 HydrophobicContact CG-CH2 4.16Å; P633-W648 HydrophobicContact CG-CZ3 3.97Å
634	F	93.8	Very high	78.5	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.8	167	-168.3	-86.8	0	0	0	108.8	A521 F615 L617 E632 L636 V698 A734 L735 L738	A521-F634 HydrophobicContact CB-CD1 3.78Å; A521-F634 HydrophobicContact CB-CE1 3.7Å; F615-F634 HydrophobicContact CD2-CB 3.91Å; F615-F634 HydrophobicContact CD2-CG 4.48Å; F615-F634 HydrophobicContact CE1-CD1 4.28Å; F615-F634 HydrophobicContact CE2-CB 3.52Å; F615-F634 AromaticContact CE2-CD1 3.6Å; F615-F634 HydrophobicContact CE2-CD1 3.6Å; F615-F634 HydrophobicContact CE2-CD2 4.46Å; F615-F634 HydrophobicContact CE2-CE1 4.44Å; F615-F634 AromaticContact CE2-CG 3.61Å; F615-F634 HydrophobicContact CE2-CG 3.61Å; F615-F634 HydrophobicContact CZ-CB 4.06Å; F615-F634 AromaticContact CZ-CD1 3.35Å; F615-F634 HydrophobicContact CZ-CD1 3.35Å; F615-F634 HydrophobicContact CZ-CE1 4.02Å; F615-F634 AromaticContact CZ-CG 3.9Å; F615-F634 HydrophobicContact CZ-CG 3.9Å; F615-F634 PolarHBondContact O-N 3Å; L617-F634 HydrophobicContact CB-CB 4.19Å; L617-F634 HydrophobicContact CB-CD2 4.13Å; L617-F634 HydrophobicContact CD1-CD2 4.38Å; E632-F634 PolarHBondContact O-N 3.42Å; F634-L636 HydrophobicContact CE1-CD2 4.03Å; F634-L636 HydrophobicContact CE1-CG 4.37Å; F634-L636 HydrophobicContact CZ-CD2 4.17Å; F634-V698 HydrophobicContact CD2-CB 4.29Å; F634-V698 HydrophobicContact CD2-CG1 4.25Å; F634-V698 HydrophobicContact CE2-CB 4.48Å; F634-V698 HydrophobicContact CE2-CG1 4.06Å; F634-A734 HydrophobicContact CZ-CB 3.87Å; F634-L735 HydrophobicContact CE2-CD2 4.18Å; F634-L738 HydrophobicContact CD2-CD2 4.11Å; F634-L738 HydrophobicContact CE2-CB 4.49Å; F634-L738 HydrophobicContact CE2-CD2 3.84Å; F634-L738 HydrophobicContact CZ-CB 4.49Å; F634-L738 HydrophobicContact CZ-CD2 4.49Å
635	L	89.3	Confident	77.6	Confident	20 Å²	20	61.6 Å²	61.6	11%	0.105	35%	0.352	C	S	.	.			trans	-144.9	134.3	171.6	-76.7	-175.2	0	0	0	108.8	A521 T637 L738	A521-L635 WeakPolarHBondContact O-CA 3.32Å; L635-T637 VanDerWaalsContact C-N 3.27Å; L635-T637 PolarHBondContact O-N 2.94Å; L635-L738 WeakPolarHBondContact O-CD1 3.34Å
636	L	86.5	Confident	77.4	Confident	9 Å²	9	60.9 Å²	60.9	5%	0.047	35%	0.345	C	S	.	.	S	Bend	trans	-70.3	-23.6	178.5	-65.7	174.3	0	0	0	112.8	A521 L522 F634 R737 L738 L1006	A521-L636 HydrophobicContact CB-CD1 4.11Å; A521-L636 HydrophobicContact CB-CG 4.03Å; A521-L636 PolarHBondContact O-N 2.98Å; L522-L636 HydrophobicContact CD2-CD1 4.44Å; F634-L636 HydrophobicContact CE1-CD2 4.03Å; F634-L636 HydrophobicContact CE1-CG 4.37Å; F634-L636 HydrophobicContact CZ-CD2 4.17Å; L636-R737 HydrophobicContact CD2-CB 3.81Å; L636-L738 HydrophobicContact CD2-CB 4.48Å; L636-L1006 HydrophobicContact CB-CD1 3.65Å; L636-L1006 HydrophobicContact CB-CD2 3.69Å; L636-L1006 HydrophobicContact CB-CG 4.33Å; L636-L1006 HydrophobicContact CD1-CD1 3.93Å; L636-L1006 HydrophobicContact CG-CD1 4.45Å; L636-L1006 WeakPolarHBondContact O-CD2 3.39Å
637	T	77.7	Confident	77.2	Confident	28 Å²	28	61.9 Å²	61.9	17%	0.172	34%	0.344	C	S	.	.	S	Bend	trans	-104	125	170.9	62.1	0	0	0	0	112.4	N523 L635 D639 E1002 L1006	N523-T637 WeakPolarHBondContact CB-OG1 3.48Å; L635-T637 VanDerWaalsContact C-N 3.27Å; L635-T637 PolarHBondContact O-N 2.94Å; T637-D639 VanDerWaalsContact C-N 3.29Å; T637-D639 PolarHBondContact O-N 3.37Å; T637-E1002 HydrophobicContact CG2-CG 3.85Å; T637-E1002 WeakPolarHBondContact CG2-OE1 3.41Å; T637-L1006 HydrophobicContact CG2-CD2 3.75Å; T637-L1006 HydrophobicContact CG2-CG 4.26Å
638	S	59.3	Low	77.3	Confident	86 Å²	86	62 Å²	62	60%	0.601	34%	0.344	S	S	*	.			trans	-79.3	69	174	59	0	0	0	0	112.2	N640	S638-N640 PolarHBondContact O-N 3.33Å
639	D	53.4	Low	77.2	Confident	81 Å²	81	61.2 Å²	61.2	43%	0.433	34%	0.338	S	S	.	.			trans	-79.9	104.8	173.1	-114.4	4.8	0	0	0	109.9	N523 T637 T641	N523-D639 PolarHBondContact ND2-OD2 3.25Å; N523-D639 VanDerWaalsContact ND2-OD2 3.09Å; T637-D639 VanDerWaalsContact C-N 3.29Å; T637-D639 PolarHBondContact O-N 3.37Å; D639-T641 PolarHBondContact O-N 3.07Å
640	N	44.8	Very low	77.2	Confident	167 Å²	167	61.1 Å²	61.1	89%	0.893	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	15.2	177.9	-80.6	-24	0	0	0	114	S638	S638-N640 PolarHBondContact O-N 3.33Å
641	T	45.9	Very low	77.1	Confident	94 Å²	94	59.4 Å²	59.4	58%	0.577	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.6	-168.1	56.8	0	0	0	0	113.8	D639 K643	D639-T641 PolarHBondContact O-N 3.07Å; T641-K643 PolarHBondContact O-N 2.96Å
642	T	50.3	Low	77.1	Confident	75 Å²	75	59 Å²	59	46%	0.46	32%	0.324	S	S	.	.			trans	-72.8	96.5	177.6	55.9	0	0	0	0	111.4	A644	T642-A644 PolarHBondContact O-N 3.15Å
643	K	47.7	Very low	77.2	Confident	214 Å²	214	56.2 Å²	56.2	93%	0.93	31%	0.311	S	S	*	.			trans	-67.8	-9.4	-177.2	-64.9	-178.5	-179.1	174.9	0	115.4	T641	T641-K643 PolarHBondContact O-N 2.96Å
644	A	56.2	Low	77.2	Confident	67 Å²	67	54.2 Å²	54.2	55%	0.554	30%	0.298	S	S	*	.	S	Bend	trans	-120.5	136.5	179.6	0	0	0	0	0	110.8	T642 R646	T642-A644 PolarHBondContact O-N 3.15Å; A644-R646 PolarHBondContact O-N 2.94Å; A644-R646 VanDerWaalsContact O-N 3.1Å
645	P	70.8	Confident	77.4	Confident	106 Å²	106	54.1 Å²	54.1	69%	0.688	30%	0.298	S	S	*	.			trans	-72.8	102.3	175.8	29.7	-33	0	0	0	110.2
646	R	85.9	Confident	77.6	Confident	39 Å²	39	53.8 Å²	53.8	15%	0.147	30%	0.296	C	S	.	.			trans	-60.3	137.6	167.8	-74.1	-178.6	-72.7	159.4	1.4	109.9	K613 P633 A644 W648	K613-R646 PolarHBondContact O-NH1 2.89Å; P633-R646 HydrophobicContact CG-CB 3.94Å; A644-R646 PolarHBondContact O-N 2.94Å; A644-R646 VanDerWaalsContact O-N 3.1Å; R646-W648 HydrophobicContact CB-CH2 3.96Å; R646-W648 HydrophobicContact CB-CZ3 4.04Å
647	R	91.6	Very high	78	Confident	105 Å²	105	55.7 Å²	55.7	40%	0.396	31%	0.306	S	S	.	.			trans	-143.7	151.8	177.4	-60	-178.8	-169	-175	-1.9	109	Q612 E673	Q612-R647 PolarHBondContact NE2-O 3.35Å; R647-E673 IonicContact CZ-OE2 3.16Å; R647-E673 IonicContact NH1-OE1 3.9Å; R647-E673 IonicContact NH1-OE2 2.74Å; R647-E673 PolarHBondContact NH1-OE2 2.93Å
648	W	95.4	Very high	78.6	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.011	33%	0.329	C	S	.	.			trans	-120.7	153.1	174.6	-67.4	-99.6	0	0	0	109.3	S608 W609 Q612 G614 P616 Q631 P633 R646 I650 L671	S608-W648 PolarHBondContact O-NE1 2.98Å; W609-W648 AromaticContact CD2-CD1 3.51Å; W609-W648 HydrophobicContact CD2-CG 4.41Å; W609-W648 AromaticContact CE2-CD1 3.8Å; W609-W648 AromaticContact CE3-CD1 3.38Å; W609-W648 HydrophobicContact CE3-CG 4.34Å; W609-W648 AromaticContact CE3-NE1 3.81Å; W609-W648 HydrophobicContact CH2-CB 4.17Å; W609-W648 AromaticContact CH2-CD1 3.92Å; W609-W648 HydrophobicContact CH2-CG 4.14Å; W609-W648 HydrophobicContact CZ2-CB 3.81Å; W609-W648 HydrophobicContact CZ2-CG 4.18Å; W609-W648 AromaticContact CZ3-CD1 3.59Å; W609-W648 HydrophobicContact CZ3-CG 4.21Å; Q612-W648 HydrophobicContact CG-CZ2 4.31Å; G614-W648 WeakPolarHBondContact O-CZ2 3.44Å; P616-W648 HydrophobicContact CB-CD2 4.15Å; P616-W648 HydrophobicContact CB-CE3 3.67Å; P616-W648 HydrophobicContact CB-CZ3 4.15Å; P616-W648 HydrophobicContact CG-CB 4.13Å; P616-W648 HydrophobicContact CG-CD2 4.01Å; P616-W648 HydrophobicContact CG-CE3 4.07Å; P616-W648 HydrophobicContact CG-CG 4.05Å; Q631-W648 PolarHBondContact NE2-O 2.9Å; Q631-W648 PolarHBondContact OE1-O 3.46Å; P633-W648 HydrophobicContact CB-CH2 3.91Å; P633-W648 HydrophobicContact CB-CZ3 4.06Å; P633-W648 HydrophobicContact CG-CH2 4.16Å; P633-W648 HydrophobicContact CG-CZ3 3.97Å; R646-W648 HydrophobicContact CB-CH2 3.96Å; R646-W648 HydrophobicContact CB-CZ3 4.04Å; W648-I650 HydrophobicContact CB-CD1 4.43Å; W648-I650 HydrophobicContact CB-CG1 3.77Å; W648-L671 VanDerWaalsContact O-O 3.05Å
649	N	95.1	Very high	80.2	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	32%	0.317	C	S	.	.			trans	-89.6	103.4	162.4	-169.8	-5.7	0	0	0	108.1	M605 S608 W609 S670	M605-N649 HydrophobicContact CB-CB 4.07Å; M605-N649 HydrophobicContact CG-CB 4.09Å; S608-N649 PolarHBondContact OG-N 3.16Å; S608-N649 VanDerWaalsContact OG-N 3.09Å; W609-N649 PolarHBondContact NE1-O 3.06Å; N649-S670 PolarHBondContact OD1-OG 3.26Å
650	I	96.6	Very high	82	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.4	-168.7	-46.3	171.8	0	0	0	109.5	W609 P616 V618 Q631 W648 I652 L671 Y697	W609-I650 HydrophobicContact CZ2-CB 4.44Å; W609-I650 HydrophobicContact CZ2-CG1 4.09Å; W609-I650 HydrophobicContact CZ2-CG2 4.41Å; P616-I650 HydrophobicContact CB-CD1 3.65Å; P616-I650 HydrophobicContact CG-CD1 3.37Å; P616-I650 HydrophobicContact CG-CG1 3.87Å; V618-I650 HydrophobicContact CG2-CD1 3.77Å; V618-I650 HydrophobicContact CG2-CG2 4.5Å; Q631-I650 HydrophobicContact CB-CD1 3.82Å; Q631-I650 HydrophobicContact CG-CD1 4.45Å; W648-I650 HydrophobicContact CB-CD1 4.43Å; W648-I650 HydrophobicContact CB-CG1 3.77Å; I650-I652 VanDerWaalsContact C-N 3.27Å; I650-I652 HydrophobicContact CB-CG1 4.13Å; I650-I652 HydrophobicContact CG2-CG1 3.71Å; I650-I652 PolarHBondContact O-N 3.43Å; I650-L671 HydrophobicContact CB-CB 4.41Å; I650-L671 HydrophobicContact CD1-CD2 4.39Å; I650-L671 PolarHBondContact N-O 3.12Å; I650-L671 PolarHBondContact O-N 3.24Å; I650-Y697 HydrophobicContact CG2-CD1 3.54Å; I650-Y697 HydrophobicContact CG2-CE1 3.64Å; I650-Y697 HydrophobicContact CG2-CG 4.11Å
651	P	95.1	Very high	84.3	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	78.3	168.8	34	-34.2	0	0	0	109.1	M556 M605 T653 M668	M556-P651 HydrophobicContact CG-CG 3.61Å; M556-P651 HydrophobicContact SD-CG 3.97Å; M605-P651 HydrophobicContact CE-CB 4.45Å; M605-P651 HydrophobicContact CE-CG 3.77Å; P651-T653 PolarHBondContact O-N 3.4Å; P651-M668 HydrophobicContact CB-SD 4.16Å
652	I	96.1	Very high	86.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	118.7	-179.4	-61.9	177	0	0	0	109	V618 F629 I650 M668 F669 L671 L689 Y697	V618-I652 HydrophobicContact CG1-CD1 3.8Å; V618-I652 HydrophobicContact CG2-CD1 4.46Å; F629-I652 HydrophobicContact CB-CD1 4.01Å; F629-I652 HydrophobicContact CD1-CD1 4.43Å; F629-I652 HydrophobicContact CG-CD1 4.16Å; I650-I652 VanDerWaalsContact C-N 3.27Å; I650-I652 HydrophobicContact CB-CG1 4.13Å; I650-I652 HydrophobicContact CG2-CG1 3.71Å; I650-I652 PolarHBondContact O-N 3.43Å; I652-M668 CarbonylContact O-C 3.38Å; I652-M668 VanDerWaalsContact O-CA 3.31Å; I652-M668 WeakPolarHBondContact O-CA 3.3Å; I652-F669 WeakPolarHBondContact CB-O 3.46Å; I652-F669 HydrophobicContact CD1-CD1 4.45Å; I652-F669 PolarHBondContact N-O 3.09Å; I652-F669 PolarHBondContact O-N 3.45Å; I652-L671 HydrophobicContact CD1-CB 3.68Å; I652-L671 HydrophobicContact CD1-CD2 3.69Å; I652-L671 HydrophobicContact CD1-CG 4.31Å; I652-L671 HydrophobicContact CG1-CB 4.29Å; I652-L689 HydrophobicContact CG2-CD1 4.3Å; I652-L689 HydrophobicContact CG2-CD2 4.36Å; I652-Y697 WeakPolarHBondContact CA-OH 3.5Å
653	T	95.6	Very high	88.2	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.4	168.6	58	0	0	0	0	110.3	P651 R666 Q667 L689 N690 Y691 Y697	P651-T653 PolarHBondContact O-N 3.4Å; T653-R666 HydrophobicContact CG2-CG 4.04Å; T653-Q667 CarbonylContact C-O 3.59Å; T653-Q667 VanDerWaalsContact CA-O 3.31Å; T653-Q667 WeakPolarHBondContact CA-O 3.5Å; T653-L689 CarbonylContact O-C 3.22Å; T653-L689 VanDerWaalsContact O-CA 3.31Å; T653-L689 WeakPolarHBondContact O-CA 3.28Å; T653-N690 PolarHBondContact O-N 2.98Å; T653-N690 WeakPolarHBondContact OG1-CA 3.07Å; T653-Y691 PolarHBondContact OG1-N 2.93Å; T653-Y697 PolarHBondContact N-OH 3.28Å
654	L	94.9	Very high	90.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.2	177.2	69.5	91	0	0	0	113.4	F629 Q667 L678 I687 K688 L689	F629-L654 HydrophobicContact CE1-CD2 4.28Å; F629-L654 HydrophobicContact CZ-CD2 3.87Å; L654-Q667 HydrophobicContact CD1-CB 3.89Å; L654-Q667 HydrophobicContact CD1-CG 4.42Å; L654-Q667 HydrophobicContact CG-CB 3.99Å; L654-Q667 PolarHBondContact N-O 3.06Å; L654-Q667 PolarHBondContact O-N 2.92Å; L654-L678 HydrophobicContact CD2-CD2 3.88Å; L654-I687 HydrophobicContact CB-CG2 4.36Å; L654-K688 WeakPolarHBondContact CA-O 3.46Å; L654-L689 HydrophobicContact CB-CD2 3.48Å; L654-L689 VanDerWaalsContact CB-CD2 3.48Å; L654-L689 HydrophobicContact CD2-CD2 4.31Å
655	V	96.4	Very high	91.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	167.8	172	-61.7	0	0	0	0	110.4	C665 K688 Y691	V655-C665 HydrophobicContact CG1-CB 4.1Å; V655-K688 HydrophobicContact CG2-CB 3.88Å; V655-K688 HydrophobicContact CG2-CG 4.23Å; V655-K688 PolarHBondContact N-O 3.17Å; V655-K688 PolarHBondContact O-N 3.13Å; V655-Y691 HydrophobicContact CG1-CD2 3.66Å; V655-Y691 HydrophobicContact CG1-CE2 4.19Å; V655-Y691 HydrophobicContact CG1-CG 4Å; V655-Y691 HydrophobicContact CG2-CD2 4.1Å
656	N	95.1	Very high	92.8	Very high	14 Å²	14	42 Å²	42	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	179.6	-175.8	65.6	37.7	0	0	0	112.7	S658 C659 S660 V684 W686	N656-S658 PolarHBondContact O-N 2.84Å; N656-S658 VanDerWaalsContact O-N 3.15Å; N656-S658 WeakPolarHBondContact OD1-CB 3.42Å; N656-S658 PolarHBondContact OD1-N 3.33Å; N656-C659 PolarHBondContact N-O 2.66Å; N656-C659 CarbonylContact O-C 3.47Å; N656-C659 PolarHBondContact O-N 3.45Å; N656-C659 VanDerWaalsContact O-N 3.07Å; N656-C659 PolarHBondContact OD1-N 3.21Å; N656-S660 WeakPolarHBondContact O-CB 3.42Å; N656-V684 HydrophobicContact CB-CG1 3.86Å; N656-V684 HydrophobicContact CB-CG2 4.33Å; N656-W686 WeakPolarHBondContact CA-O 3.47Å; N656-W686 WeakPolarHBondContact CB-O 3.22Å
657	D	93.7	Very high	93.1	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.262	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.6	-178.2	66.2	-50.1	0	0	0	115.5	V684 K685 W686	D657-V684 WeakPolarHBondContact OD1-CA 3.4Å; D657-V684 WeakPolarHBondContact OD1-CG1 3.15Å; D657-K685 HydrophobicContact CB-CB 4.28Å; D657-K685 PolarHBondContact OD1-N 3.47Å; D657-K685 WeakPolarHBondContact OD2-CB 3.35Å; D657-K685 WeakPolarHBondContact OD2-CG 3.43Å; D657-K685 PolarHBondContact OD2-N 2.73Å; D657-W686 HydrophobicContact CB-CD2 4.04Å; D657-W686 HydrophobicContact CB-CG 4.31Å; D657-W686 HydrophobicContact CB-CZ2 3.9Å
658	S	90.8	Very high	93.1	Very high	92 Å²	92	43.3 Å²	43.3	64%	0.643	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-24.2	173.7	-54.3	0	0	0	0	113.1	N656	N656-S658 PolarHBondContact O-N 2.84Å; N656-S658 VanDerWaalsContact O-N 3.15Å; N656-S658 WeakPolarHBondContact OD1-CB 3.42Å; N656-S658 PolarHBondContact OD1-N 3.33Å
659	C	92	Very high	93	Very high	53 Å²	53	45.2 Å²	45.2	36%	0.358	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-163.1	113.6	-180	-159.5	0	0	0	0	109.2	N656 C665	N656-C659 PolarHBondContact N-O 2.66Å; N656-C659 CarbonylContact O-C 3.47Å; N656-C659 PolarHBondContact O-N 3.45Å; N656-C659 VanDerWaalsContact O-N 3.07Å; N656-C659 PolarHBondContact OD1-N 3.21Å; C659-C665 WeakPolarHBondContact CA-SG 3.39Å; C659-C665 HydrophobicContact CB-CB 3.63Å; C659-C665 WeakPolarHBondContact CB-SG 3.31Å; C659-C665 WeakPolarHBondContact O-CB 3.47Å; C659-C665 WeakPolarHBondContact SG-CA 3.46Å; C659-C665 WeakPolarHBondContact SG-CB 3.16Å; C659-C665 CovalentContact SG-SG 2.04Å; C659-C665 PolarHBondContact SG-SG 2.93Å
660	S	92.6	Very high	92.9	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.112	25%	0.254	C	S	.	.			trans	-135.6	-22.4	-172.3	60.1	0	0	0	0	117.3	N656 C665 Y691 V719	N656-S660 WeakPolarHBondContact O-CB 3.42Å; S660-C665 PolarHBondContact N-SG 3.1Å; S660-C665 VanDerWaalsContact N-SG 3.37Å; S660-Y691 WeakPolarHBondContact O-CE2 3.39Å; S660-V719 VanDerWaalsContact CB-O 3.23Å; S660-V719 WeakPolarHBondContact CB-O 3.29Å; S660-V719 PolarHBondContact OG-O 3.1Å
661	L	93.3	Very high	92.8	Very high	94 Å²	94	46.4 Å²	46.4	49%	0.492	26%	0.255	S	S	.	.	S	Bend	trans	-102.5	-23.7	-169.4	-59.8	179.4	0	0	0	114.5	Y691 S718 T721	L661-Y691 PolarHBondContact O-OH 2.94Å; L661-Y691 VanDerWaalsContact O-OH 3.1Å; L661-S718 WeakPolarHBondContact CD1-O 3.25Å; L661-S718 WeakPolarHBondContact CD2-O 3.38Å; L661-T721 HydrophobicContact CD2-CG2 3.98Å
662	A	90.5	Very high	92.7	Very high	29 Å²	29	49 Å²	49	24%	0.24	27%	0.273	C	S	.	.	S	Bend	trans	-98.3	144	-173	0	0	0	0	0	111.3	E664 C665	A662-E664 HydrophobicContact CB-CG 4.15Å; A662-E664 WeakPolarHBondContact CB-OE1 3.38Å; A662-E664 WeakPolarHBondContact CB-OE2 3.32Å; A662-E664 PolarHBondContact O-N 2.75Å; A662-E664 VanDerWaalsContact O-N 3.15Å; A662-C665 WeakPolarHBondContact O-CB 3.39Å; A662-C665 PolarHBondContact O-N 3.27Å; A662-C665 PolarHBondContact O-SG 3.4Å; A662-C665 VanDerWaalsContact O-SG 3.41Å
663	P	87.3	Confident	92.5	Very high	88 Å²	88	54.2 Å²	54.2	57%	0.571	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.5	-179.7	-26.8	35.5	0	0	0	114.5	C665 R666	P663-C665 VanDerWaalsContact C-N 3.27Å; P663-C665 PolarHBondContact O-N 3.41Å; P663-R666 WeakPolarHBondContact O-CB 2.96Å; P663-R666 PolarHBondContact O-N 2.04Å
664	E	90.2	Very high	92.5	Very high	156 Å²	156	60.5 Å²	60.5	73%	0.729	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.7	-19	176.3	62.6	-90.1	-150	0	0	114.1	A662 R666	A662-E664 HydrophobicContact CB-CG 4.15Å; A662-E664 WeakPolarHBondContact CB-OE1 3.38Å; A662-E664 WeakPolarHBondContact CB-OE2 3.32Å; A662-E664 PolarHBondContact O-N 2.75Å; A662-E664 VanDerWaalsContact O-N 3.15Å; E664-R666 PolarHBondContact O-N 3.48Å
665	C	89.4	Confident	92.5	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.061	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.9	-23.1	172	-59.1	0	0	0	0	112.5	V655 C659 S660 A662 P663 Q667	V655-C665 HydrophobicContact CG1-CB 4.1Å; C659-C665 WeakPolarHBondContact CA-SG 3.39Å; C659-C665 HydrophobicContact CB-CB 3.63Å; C659-C665 WeakPolarHBondContact CB-SG 3.31Å; C659-C665 WeakPolarHBondContact O-CB 3.47Å; C659-C665 WeakPolarHBondContact SG-CA 3.46Å; C659-C665 WeakPolarHBondContact SG-CB 3.16Å; C659-C665 CovalentContact SG-SG 2.04Å; C659-C665 PolarHBondContact SG-SG 2.93Å; S660-C665 PolarHBondContact N-SG 3.1Å; S660-C665 VanDerWaalsContact N-SG 3.37Å; A662-C665 WeakPolarHBondContact O-CB 3.39Å; A662-C665 PolarHBondContact O-N 3.27Å; A662-C665 PolarHBondContact O-SG 3.4Å; A662-C665 VanDerWaalsContact O-SG 3.41Å; P663-C665 VanDerWaalsContact C-N 3.27Å; P663-C665 PolarHBondContact O-N 3.41Å; C665-Q667 PolarHBondContact O-N 3.14Å; C665-Q667 VanDerWaalsContact O-N 3.1Å
666	R	91.5	Very high	92.5	Very high	93 Å²	93	64.4 Å²	64.4	35%	0.351	36%	0.355	S	S	.	.			trans	-70.3	102.8	-171	-174.1	-169.8	70.8	-166.3	4	111.6	T653 P663 E664 Y691	T653-R666 HydrophobicContact CG2-CG 4.04Å; P663-R666 WeakPolarHBondContact O-CB 2.96Å; P663-R666 PolarHBondContact O-N 2.04Å; E664-R666 PolarHBondContact O-N 3.48Å; R666-Y691 HydrophobicContact CB-CD1 4.01Å; R666-Y691 HydrophobicContact CB-CE1 4.4Å; R666-Y691 HydrophobicContact CG-CD1 3.89Å; R666-Y691 HydrophobicContact CG-CG 4.35Å
667	Q	92.4	Very high	92.5	Very high	94 Å²	94	66.5 Å²	66.5	44%	0.439	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.7	168.1	-60	179.1	30.7	0	0	110.1	T653 L654 C665	T653-Q667 CarbonylContact C-O 3.59Å; T653-Q667 VanDerWaalsContact CA-O 3.31Å; T653-Q667 WeakPolarHBondContact CA-O 3.5Å; L654-Q667 HydrophobicContact CD1-CB 3.89Å; L654-Q667 HydrophobicContact CD1-CG 4.42Å; L654-Q667 HydrophobicContact CG-CB 3.99Å; L654-Q667 PolarHBondContact N-O 3.06Å; L654-Q667 PolarHBondContact O-N 2.92Å; C665-Q667 PolarHBondContact O-N 3.14Å; C665-Q667 VanDerWaalsContact O-N 3.1Å
668	M	91.9	Very high	92.5	Very high	78 Å²	78	66.7 Å²	66.7	38%	0.384	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.3	179.8	176.2	176.8	41	0	0	111.3	R600 P651 I652	R600-M668 PolarHBondContact NH1-SD 2.64Å; R600-M668 VanDerWaalsContact NH2-CE 3.31Å; R600-M668 PolarHBondContact NH2-SD 3.09Å; R600-M668 VanDerWaalsContact NH2-SD 3.45Å; P651-M668 HydrophobicContact CB-SD 4.16Å; I652-M668 CarbonylContact O-C 3.38Å; I652-M668 VanDerWaalsContact O-CA 3.31Å; I652-M668 WeakPolarHBondContact O-CA 3.3Å
669	F	92.9	Very high	92.6	Very high	42 Å²	42	69.5 Å²	69.5	18%	0.184	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.9	176.3	179.7	-91.8	0	0	0	109.7	F629 I652 L671 L678	F629-F669 AromaticContact CD2-CD1 3.79Å; F629-F669 HydrophobicContact CD2-CD1 3.79Å; F629-F669 AromaticContact CD2-CE1 3.79Å; F629-F669 HydrophobicContact CD2-CE1 3.79Å; F629-F669 HydrophobicContact CD2-CG 4.32Å; F629-F669 HydrophobicContact CD2-CZ 4.31Å; F629-F669 AromaticContact CE2-CD1 3.98Å; F629-F669 HydrophobicContact CE2-CD1 3.98Å; F629-F669 HydrophobicContact CE2-CD2 4.34Å; F629-F669 HydrophobicContact CE2-CE1 4.25Å; F629-F669 HydrophobicContact CE2-CG 4.03Å; I652-F669 WeakPolarHBondContact CB-O 3.46Å; I652-F669 HydrophobicContact CD1-CD1 4.45Å; I652-F669 PolarHBondContact N-O 3.09Å; I652-F669 PolarHBondContact O-N 3.45Å; F669-L671 HydrophobicContact CD1-CB 4.26Å; F669-L671 HydrophobicContact CE1-CB 4.07Å; F669-L671 HydrophobicContact CE1-CD1 4.17Å; F669-L678 HydrophobicContact CD2-CB 4.4Å
670	S	92.3	Very high	92.6	Very high	50 Å²	50	67.3 Å²	67.3	35%	0.35	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.6	177.9	-143	0	0	0	0	109.7	N649	N649-S670 PolarHBondContact OD1-OG 3.26Å
671	L	95.1	Very high	92.5	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	96.4	175.6	-177.5	66.5	0	0	0	110	F629 Q631 W648 I650 I652 F669 E673	F629-L671 HydrophobicContact CB-CD2 4.15Å; Q631-L671 HydrophobicContact CB-CD2 3.96Å; Q631-L671 HydrophobicContact CG-CD2 4.14Å; Q631-L671 PolarHBondContact NE2-O 3.47Å; W648-L671 VanDerWaalsContact O-O 3.05Å; I650-L671 HydrophobicContact CB-CB 4.41Å; I650-L671 HydrophobicContact CD1-CD2 4.39Å; I650-L671 PolarHBondContact N-O 3.12Å; I650-L671 PolarHBondContact O-N 3.24Å; I652-L671 HydrophobicContact CD1-CB 3.68Å; I652-L671 HydrophobicContact CD1-CD2 3.69Å; I652-L671 HydrophobicContact CD1-CG 4.31Å; I652-L671 HydrophobicContact CG1-CB 4.29Å; F669-L671 HydrophobicContact CD1-CB 4.26Å; F669-L671 HydrophobicContact CE1-CB 4.07Å; F669-L671 HydrophobicContact CE1-CD1 4.17Å; L671-E673 VanDerWaalsContact CD1-O 3.27Å; L671-E673 WeakPolarHBondContact CD1-O 3.46Å; L671-E673 WeakPolarHBondContact CG-O 3.48Å
672	S	92.1	Very high	92.3	Very high	59 Å²	59	72.7 Å²	72.7	41%	0.413	38%	0.384	S	S	.	.			trans	-94.7	-32.3	170.7	53.4	0	0	0	0	112.9
673	E	93.1	Very high	92.3	Very high	110 Å²	110	75.8 Å²	75.8	51%	0.514	40%	0.404	S	S	.	.	S	Bend	trans	-81.8	169.6	177	-73.8	-56.3	149.5	0	0	112.7	Q631 R647 L671 S675	Q631-E673 PolarHBondContact NE2-O 3.42Å; R647-E673 IonicContact CZ-OE2 3.16Å; R647-E673 IonicContact NH1-OE1 3.9Å; R647-E673 IonicContact NH1-OE2 2.74Å; R647-E673 PolarHBondContact NH1-OE2 2.93Å; L671-E673 VanDerWaalsContact CD1-O 3.27Å; L671-E673 WeakPolarHBondContact CD1-O 3.46Å; L671-E673 WeakPolarHBondContact CG-O 3.48Å; E673-S675 PolarHBondContact O-N 2.98Å
674	K	93.9	Very high	92.6	Very high	137 Å²	137	71.8 Å²	71.8	60%	0.596	38%	0.379	S	S	*	.	S	Bend	trans	-57.1	-32.4	176.7	-176	175.4	-179.8	-178.9	0	112.5	S630 Q631	S630-K674 CarbonylContact C-O 3.56Å; S630-K674 VanDerWaalsContact CA-O 3.29Å; S630-K674 WeakPolarHBondContact CA-O 3.17Å; Q631-K674 PolarHBondContact N-O 3.23Å
675	S	96.1	Very high	92.7	Very high	72 Å²	72	71.1 Å²	71.1	50%	0.503	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.5	177.7	55.7	0	0	0	0	111.8	F629 E673	F629-S675 CarbonylContact O-C 3.39Å; F629-S675 WeakPolarHBondContact O-CA 3.49Å; F629-S675 WeakPolarHBondContact O-CB 3.37Å; E673-S675 PolarHBondContact O-N 2.98Å
676	G	95.7	Very high	93	Very high	15 Å²	15	71.7 Å²	71.7	16%	0.155	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	168.1	172.4	0	0	0	0	0	110.3	T628 F629	T628-G676 WeakPolarHBondContact CA-O 3.24Å; F629-G676 PolarHBondContact N-O 3.06Å; F629-G676 PolarHBondContact O-N 3.4Å
677	S	95.3	Very high	93.2	Very high	58 Å²	58	67.8 Å²	67.8	41%	0.406	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.4	-179.1	-53.5	0	0	0	0	112.1	A627 T628	A627-S677 CarbonylContact O-C 3.57Å; A627-S677 WeakPolarHBondContact O-CA 3.43Å; A627-S677 WeakPolarHBondContact O-CB 3.37Å; T628-S677 PolarHBondContact OG1-OG 2.92Å
678	L	94.2	Very high	93.5	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.277	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.7	176.8	-179.2	67.2	0	0	0	109.1	A627 F629 L654 F669	A627-L678 PolarHBondContact N-O 2.93Å; A627-L678 PolarHBondContact O-N 2.87Å; F629-L678 HydrophobicContact CE2-CB 3.78Å; F629-L678 HydrophobicContact CZ-CB 4.15Å; L654-L678 HydrophobicContact CD2-CD2 3.88Å; F669-L678 HydrophobicContact CD2-CB 4.4Å
679	K	93.6	Very high	93.8	Very high	151 Å²	151	59.6 Å²	59.6	66%	0.657	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	130	169.9	-75.6	-174.6	168.6	-105.7	0	110.3	D625	D625-K679 CarbonylContact O-C 3.51Å; D625-K679 VanDerWaalsContact O-CA 3.31Å; D625-K679 WeakPolarHBondContact O-CA 3.43Å; D625-K679 IonicContact OD2-NZ 2.84Å; D625-K679 PolarHBondContact OD2-NZ 2.99Å
680	V	90.8	Very high	94	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	31%	0.312	C	S	.	.			trans	-130.9	131.8	177.6	-178.1	0	0	0	0	107.5	D625 A627 E682 V684 I687	D625-V680 CarbonylContact C-O 3.59Å; D625-V680 VanDerWaalsContact CA-O 3.25Å; D625-V680 WeakPolarHBondContact CA-O 3.48Å; D625-V680 PolarHBondContact O-N 2.79Å; D625-V680 VanDerWaalsContact O-O 3.05Å; A627-V680 HydrophobicContact CB-CG2 3.78Å; V680-E682 PolarHBondContact O-N 3.4Å; V680-V684 HydrophobicContact CG1-CB 3.91Å; V680-V684 HydrophobicContact CG1-CG1 3.97Å; V680-V684 HydrophobicContact CG1-CG2 3.74Å; V680-I687 HydrophobicContact CB-CD1 4.37Å; V680-I687 HydrophobicContact CG1-CD1 4Å; V680-I687 HydrophobicContact CG2-CD1 4.18Å
681	P	90.9	Very high	94.2	Very high	81 Å²	81	55.7 Å²	55.7	53%	0.526	30%	0.297	S	S	.	.			trans	-52.7	140.8	-177.4	-27.4	35.1	0	0	0	113	R622 S683 V684	R622-P681 PolarHBondContact NH2-O 2.87Å; P681-S683 PolarHBondContact O-N 3.35Å; P681-V684 HydrophobicContact CB-CG2 4.44Å; P681-V684 WeakPolarHBondContact O-CB 3.31Å; P681-V684 PolarHBondContact O-N 3.19Å
682	E	88.3	Confident	94.2	Very high	141 Å²	141	58.6 Å²	58.6	66%	0.659	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.4	178.5	-63.6	-165.5	147.2	0	0	112.7	R622 D625 V680 V684	R622-E682 PolarHBondContact NH2-O 3.14Å; D625-E682 HydrophobicContact CB-CG 3.93Å; D625-E682 PolarHBondContact N-OE1 3.03Å; V680-E682 PolarHBondContact O-N 3.4Å; E682-V684 PolarHBondContact O-N 3.23Å
683	S	91.4	Very high	94.4	Very high	94 Å²	94	55.8 Å²	55.8	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19	175.2	59.7	0	0	0	0	114.8	P681 K685	P681-S683 PolarHBondContact O-N 3.35Å; S683-K685 PolarHBondContact O-N 3.37Å
684	V	93.4	Very high	94.5	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.03	27%	0.271	C	S	.	.			trans	-64.1	126.8	175.8	161.4	0	0	0	0	109	R622 N656 D657 V680 P681 E682 W686 I687	R622-V684 PolarHBondContact NH1-O 3.37Å; R622-V684 PolarHBondContact NH2-O 3.26Å; N656-V684 HydrophobicContact CB-CG1 3.86Å; N656-V684 HydrophobicContact CB-CG2 4.33Å; D657-V684 WeakPolarHBondContact OD1-CA 3.4Å; D657-V684 WeakPolarHBondContact OD1-CG1 3.15Å; V680-V684 HydrophobicContact CG1-CB 3.91Å; V680-V684 HydrophobicContact CG1-CG1 3.97Å; V680-V684 HydrophobicContact CG1-CG2 3.74Å; P681-V684 HydrophobicContact CB-CG2 4.44Å; P681-V684 WeakPolarHBondContact O-CB 3.31Å; P681-V684 PolarHBondContact O-N 3.19Å; E682-V684 PolarHBondContact O-N 3.23Å; V684-W686 VanDerWaalsContact CG1-O 3.26Å; V684-W686 WeakPolarHBondContact CG1-O 3.39Å; V684-I687 HydrophobicContact CG1-CD1 4.48Å; V684-I687 HydrophobicContact CG1-CG1 3.8Å
685	K	93.3	Very high	94.7	Very high	142 Å²	142	45.2 Å²	45.2	62%	0.617	25%	0.245	S	C	*	.			trans	-78.8	-50	177.5	-67.1	177.1	177.6	-173.5	0	112.3	D657 S683	D657-K685 HydrophobicContact CB-CB 4.28Å; D657-K685 PolarHBondContact OD1-N 3.47Å; D657-K685 WeakPolarHBondContact OD2-CB 3.35Å; D657-K685 WeakPolarHBondContact OD2-CG 3.43Å; D657-K685 PolarHBondContact OD2-N 2.73Å; S683-K685 PolarHBondContact O-N 3.37Å
686	W	95.1	Very high	94.7	Very high	20 Å²	20	42 Å²	42	8%	0.076	22%	0.222	C	C	.	.			trans	-139.6	160.5	-175.4	52.9	-103.2	0	0	0	111.8	N656 D657 V684 K688 A708 A712 V719 L720	N656-W686 WeakPolarHBondContact CA-O 3.47Å; N656-W686 WeakPolarHBondContact CB-O 3.22Å; D657-W686 HydrophobicContact CB-CD2 4.04Å; D657-W686 HydrophobicContact CB-CG 4.31Å; D657-W686 HydrophobicContact CB-CZ2 3.9Å; V684-W686 VanDerWaalsContact CG1-O 3.26Å; V684-W686 WeakPolarHBondContact CG1-O 3.39Å; W686-K688 HydrophobicContact CE3-CB 4.46Å; W686-K688 HydrophobicContact CZ3-CB 4.17Å; W686-A708 HydrophobicContact CB-CB 4.09Å; W686-A712 VanDerWaalsContact CD1-CB 3.49Å; W686-A712 HydrophobicContact CG-CB 4.28Å; W686-A712 VanDerWaalsContact NE1-CB 3.27Å; W686-V719 HydrophobicContact CZ2-CB 4Å; W686-V719 HydrophobicContact CZ2-CG2 4.02Å; W686-L720 HydrophobicContact CH2-CD2 3.65Å; W686-L720 HydrophobicContact CH2-CG 4.41Å; W686-L720 HydrophobicContact CZ3-CD2 3.65Å
687	I	96.3	Very high	94.8	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.5	-179.6	-57.9	171.8	0	0	0	108.5	L620 A627 L654 V680 V684 L689 Y701	L620-I687 HydrophobicContact CD2-CB 3.91Å; L620-I687 HydrophobicContact CD2-CD1 4.41Å; L620-I687 HydrophobicContact CD2-CG2 4.04Å; A627-I687 HydrophobicContact CB-CD1 4.26Å; L654-I687 HydrophobicContact CB-CG2 4.36Å; V680-I687 HydrophobicContact CB-CD1 4.37Å; V680-I687 HydrophobicContact CG1-CD1 4Å; V680-I687 HydrophobicContact CG2-CD1 4.18Å; V684-I687 HydrophobicContact CG1-CD1 4.48Å; V684-I687 HydrophobicContact CG1-CG1 3.8Å; I687-L689 HydrophobicContact CG2-CD2 3.72Å; I687-Y701 WeakPolarHBondContact O-CE1 3.37Å
688	K	97.3	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.8	173.1	173	57.6	171.9	59	0	109	L654 V655 W686 N690 Y701 L720 D724 S727 V728	L654-K688 WeakPolarHBondContact CA-O 3.46Å; V655-K688 HydrophobicContact CG2-CB 3.88Å; V655-K688 HydrophobicContact CG2-CG 4.23Å; V655-K688 PolarHBondContact N-O 3.17Å; V655-K688 PolarHBondContact O-N 3.13Å; W686-K688 HydrophobicContact CE3-CB 4.46Å; W686-K688 HydrophobicContact CZ3-CB 4.17Å; K688-N690 PolarHBondContact NZ-O 3.4Å; K688-Y701 WeakPolarHBondContact CD-OH 3.48Å; K688-L720 HydrophobicContact CB-CD2 3.92Å; K688-L720 HydrophobicContact CG-CD1 4.47Å; K688-L720 HydrophobicContact CG-CD2 3.97Å; K688-D724 WeakPolarHBondContact CE-O 3.27Å; K688-D724 HydrophobicContact CG-CB 4.35Å; K688-D724 IonicContact NZ-OD1 2.78Å; K688-D724 PolarHBondContact NZ-OD1 3.48Å; K688-S727 VanDerWaalsContact CE-OG 3.22Å; K688-S727 WeakPolarHBondContact CE-OG 3.28Å; K688-S727 PolarHBondContact NZ-OG 2.94Å; K688-V728 HydrophobicContact CD-CG2 4.13Å
689	L	97.8	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	162.8	169.6	-46.6	-173.1	0	0	0	111.5	V618 L620 F629 I652 T653 L654 I687 V699 Y701	V618-L689 HydrophobicContact CG1-CD1 4.04Å; L620-L689 HydrophobicContact CB-CD1 4.07Å; L620-L689 HydrophobicContact CD2-CD2 4.45Å; L620-L689 HydrophobicContact CD2-CG 4.41Å; F629-L689 HydrophobicContact CD1-CD1 3.88Å; F629-L689 HydrophobicContact CD1-CD2 4.47Å; F629-L689 HydrophobicContact CE1-CD1 4.09Å; F629-L689 HydrophobicContact CE1-CD2 3.85Å; I652-L689 HydrophobicContact CG2-CD1 4.3Å; I652-L689 HydrophobicContact CG2-CD2 4.36Å; T653-L689 CarbonylContact O-C 3.22Å; T653-L689 VanDerWaalsContact O-CA 3.31Å; T653-L689 WeakPolarHBondContact O-CA 3.28Å; L654-L689 HydrophobicContact CB-CD2 3.48Å; L654-L689 VanDerWaalsContact CB-CD2 3.48Å; L654-L689 HydrophobicContact CD2-CD2 4.31Å; I687-L689 HydrophobicContact CG2-CD2 3.72Å; L689-V699 HydrophobicContact CB-CG1 4Å; L689-V699 HydrophobicContact CB-CG2 4.01Å; L689-V699 HydrophobicContact CD1-CG1 3.89Å; L689-V699 HydrophobicContact CG-CG1 4.16Å; L689-Y701 HydrophobicContact CB-CE1 4.34Å; L689-Y701 HydrophobicContact CG-CE1 4.09Å; L689-Y701 PolarHBondContact N-OH 3.25Å; L689-Y701 PolarHBondContact O-OH 2.67Å
690	N	97.4	Very high	95.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	57.6	65.2	-177.9	-157.1	-5	0	0	0	112.2	T653 K688 K692 N693 T694 G695 Y697 V699	T653-N690 PolarHBondContact O-N 2.98Å; T653-N690 WeakPolarHBondContact OG1-CA 3.07Å; K688-N690 PolarHBondContact NZ-O 3.4Å; N690-K692 PolarHBondContact O-N 2.83Å; N690-N693 PolarHBondContact ND2-OD1 3.49Å; N690-N693 PolarHBondContact O-N 2.88Å; N690-N693 VanDerWaalsContact OD1-CA 3.31Å; N690-N693 WeakPolarHBondContact OD1-CA 3.12Å; N690-T694 PolarHBondContact OD1-N 3.42Å; N690-G695 PolarHBondContact ND2-O 3.37Å; N690-G695 PolarHBondContact OD1-N 3.1Å; N690-Y697 WeakPolarHBondContact CA-OH 3.4Å; N690-Y697 HydrophobicContact CB-CD2 4.44Å; N690-Y697 HydrophobicContact CB-CE2 3.63Å; N690-Y697 PolarHBondContact N-OH 3.11Å; N690-Y697 PolarHBondContact ND2-O 2.86Å; N690-V699 HydrophobicContact CB-CG2 4.11Å
691	Y	96.5	Very high	95.6	Very high	10 Å²	10	29.8 Å²	29.8	4%	0.039	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.4	124.2	-179.4	178.5	-115.6	0	0	0	110.9	T653 V655 S660 L661 R666 N693 T694 T721 D724	T653-Y691 PolarHBondContact OG1-N 2.93Å; V655-Y691 HydrophobicContact CG1-CD2 3.66Å; V655-Y691 HydrophobicContact CG1-CE2 4.19Å; V655-Y691 HydrophobicContact CG1-CG 4Å; V655-Y691 HydrophobicContact CG2-CD2 4.1Å; S660-Y691 WeakPolarHBondContact O-CE2 3.39Å; L661-Y691 PolarHBondContact O-OH 2.94Å; L661-Y691 VanDerWaalsContact O-OH 3.1Å; R666-Y691 HydrophobicContact CB-CD1 4.01Å; R666-Y691 HydrophobicContact CB-CE1 4.4Å; R666-Y691 HydrophobicContact CG-CD1 3.89Å; R666-Y691 HydrophobicContact CG-CG 4.35Å; Y691-N693 PolarHBondContact O-N 3.32Å; Y691-N693 VanDerWaalsContact O-N 3.15Å; Y691-T694 PolarHBondContact O-N 2.85Å; Y691-T694 PolarHBondContact O-OG1 3.47Å; Y691-T721 HydrophobicContact CE2-CG2 4.03Å; Y691-D724 WeakPolarHBondContact CA-OD1 3.35Å; Y691-D724 WeakPolarHBondContact CD2-OD2 3.37Å
692	K	95.6	Very high	95.7	Very high	64 Å²	64	27.2 Å²	27.2	28%	0.278	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	52.7	27.8	-174	-62.8	-169.6	163.8	-136.7	0	114.7	R513 N690 T694 E723 D724	R513-K692 PolarHBondContact NH1-O 2.62Å; N690-K692 PolarHBondContact O-N 2.83Å; K692-T694 HydrophobicContact CB-CG2 4.22Å; K692-T694 PolarHBondContact O-N 3.41Å; K692-T694 VanDerWaalsContact O-N 3.13Å; K692-E723 HydrophobicContact CB-CB 4.12Å; K692-E723 WeakPolarHBondContact CD-OE1 3.4Å; K692-E723 VanDerWaalsContact CE-OE1 3.31Å; K692-E723 WeakPolarHBondContact CE-OE1 3.4Å; K692-E723 HydrophobicContact CG-CB 4.23Å; K692-E723 IonicContact NZ-OE1 3.17Å; K692-E723 PolarHBondContact NZ-OE1 3.35Å; K692-E723 IonicContact NZ-OE2 2.79Å; K692-E723 PolarHBondContact NZ-OE2 2.79Å; K692-D724 PolarHBondContact N-OD1 3.21Å
693	N	96.6	Very high	95.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	52.3	30.1	-177	-155.2	48	0	0	0	114.4	L510 R513 F514 N690 Y691 G695	L510-N693 HydrophobicContact CD1-CB 3.64Å; R513-N693 PolarHBondContact NH1-O 3.47Å; F514-N693 WeakPolarHBondContact CE1-ND2 3.39Å; N690-N693 PolarHBondContact ND2-OD1 3.49Å; N690-N693 PolarHBondContact O-N 2.88Å; N690-N693 VanDerWaalsContact OD1-CA 3.31Å; N690-N693 WeakPolarHBondContact OD1-CA 3.12Å; Y691-N693 PolarHBondContact O-N 3.32Å; Y691-N693 VanDerWaalsContact O-N 3.15Å; N693-G695 VanDerWaalsContact C-N 3.28Å; N693-G695 PolarHBondContact O-N 2.9Å
694	T	95.4	Very high	95.9	Very high	19 Å²	19	27.1 Å²	27.1	12%	0.117	14%	0.138	C	C	.	.			trans	-72.4	-16.9	-171.8	46.7	0	0	0	0	114.3	L555 M556 V559 N690 Y691 K692	L555-T694 HydrophobicContact CD2-CG2 4.46Å; M556-T694 WeakPolarHBondContact CA-O 3.02Å; M556-T694 WeakPolarHBondContact CB-O 3.17Å; V559-T694 HydrophobicContact CG2-CG2 4.29Å; N690-T694 PolarHBondContact OD1-N 3.42Å; Y691-T694 PolarHBondContact O-N 2.85Å; Y691-T694 PolarHBondContact O-OG1 3.47Å; K692-T694 HydrophobicContact CB-CG2 4.22Å; K692-T694 PolarHBondContact O-N 3.41Å; K692-T694 VanDerWaalsContact O-N 3.13Å
695	G	96.8	Very high	95.9	Very high	5 Å²	5	28 Å²	28	5%	0.052	15%	0.147	C	C	.	.	S	Bend	trans	-98.2	148.5	171.2	0	0	0	0	0	112.9	N690 N693 Y697	N690-G695 PolarHBondContact ND2-O 3.37Å; N690-G695 PolarHBondContact OD1-N 3.1Å; N693-G695 VanDerWaalsContact C-N 3.28Å; N693-G695 PolarHBondContact O-N 2.9Å; G695-Y697 VanDerWaalsContact C-N 3.29Å; G695-Y697 PolarHBondContact O-N 3.37Å
696	F	97.9	Very high	96	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.018	12%	0.119	C	C	.	.	S	Bend	trans	-85.4	64.7	-179.5	-162.2	-104.3	0	0	0	111.7	A516 L517 K549 S552 I553 M556 W609 F615	A516-F696 HydrophobicContact CB-CE2 3.66Å; A516-F696 HydrophobicContact CB-CZ 3.95Å; L517-F696 HydrophobicContact CD2-CD1 4.09Å; L517-F696 HydrophobicContact CD2-CD2 3.89Å; L517-F696 HydrophobicContact CD2-CE1 3.9Å; L517-F696 HydrophobicContact CD2-CE2 3.71Å; L517-F696 HydrophobicContact CD2-CG 4.1Å; L517-F696 HydrophobicContact CD2-CZ 3.71Å; L517-F696 HydrophobicContact CG-CD2 4.21Å; L517-F696 HydrophobicContact CG-CE2 3.78Å; L517-F696 HydrophobicContact CG-CZ 4.08Å; K549-F696 HydrophobicContact CB-CE1 4.32Å; K549-F696 HydrophobicContact CB-CE2 4.23Å; K549-F696 HydrophobicContact CB-CZ 3.83Å; K549-F696 HydrophobicContact CD-CD1 4.31Å; K549-F696 HydrophobicContact CD-CE1 3.54Å; K549-F696 HydrophobicContact CD-CZ 3.87Å; K549-F696 HydrophobicContact CG-CD1 4.14Å; K549-F696 HydrophobicContact CG-CE1 3.6Å; K549-F696 HydrophobicContact CG-CE2 4.22Å; K549-F696 HydrophobicContact CG-CZ 3.64Å; S552-F696 VanDerWaalsContact CB-CD2 3.43Å; I553-F696 HydrophobicContact CG2-CB 4.18Å; I553-F696 HydrophobicContact CG2-CG 4.36Å; M556-F696 HydrophobicContact SD-CB 4.44Å; M556-F696 PolarHBondContact SD-N 2.87Å; W609-F696 WeakPolarHBondContact CH2-O 3.18Å; W609-F696 HydrophobicContact CZ3-CB 4.19Å; W609-F696 HydrophobicContact CZ3-CD1 4.26Å; W609-F696 WeakPolarHBondContact CZ3-O 3.06Å; F615-F696 HydrophobicContact CB-CD1 3.75Å; F615-F696 HydrophobicContact CB-CE1 3.86Å; F615-F696 AromaticContact CD1-CE1 3.91Å; F615-F696 HydrophobicContact CD1-CE1 3.91Å; F615-F696 HydrophobicContact CG-CD1 4.34Å; F615-F696 HydrophobicContact CG-CE1 4.13Å
697	Y	98	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.			trans	-154.9	146.1	-179.2	61.9	-93.6	0	0	0	112.9	P616 V618 I650 I652 T653 N690 G695 V699	P616-Y697 WeakPolarHBondContact O-CB 3.48Å; V618-Y697 HydrophobicContact CB-CD2 4.08Å; V618-Y697 HydrophobicContact CB-CE2 4.42Å; V618-Y697 HydrophobicContact CG2-CD2 3.59Å; V618-Y697 HydrophobicContact CG2-CE2 4.1Å; V618-Y697 HydrophobicContact CG2-CG 4.12Å; I650-Y697 HydrophobicContact CG2-CD1 3.54Å; I650-Y697 HydrophobicContact CG2-CE1 3.64Å; I650-Y697 HydrophobicContact CG2-CG 4.11Å; I652-Y697 WeakPolarHBondContact CA-OH 3.5Å; T653-Y697 PolarHBondContact N-OH 3.28Å; N690-Y697 WeakPolarHBondContact CA-OH 3.4Å; N690-Y697 HydrophobicContact CB-CD2 4.44Å; N690-Y697 HydrophobicContact CB-CE2 3.63Å; N690-Y697 PolarHBondContact N-OH 3.11Å; N690-Y697 PolarHBondContact ND2-O 2.86Å; G695-Y697 VanDerWaalsContact C-N 3.29Å; G695-Y697 PolarHBondContact O-N 3.37Å; Y697-V699 HydrophobicContact CD2-CG2 3.85Å; Y697-V699 HydrophobicContact CE2-CG2 3.68Å
698	V	97.8	Very high	96	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149	174.8	168	0	0	0	0	109.7	F615 P616 L617 V618 F634 N731 L735	F615-V698 HydrophobicContact CE2-CB 4.09Å; F615-V698 HydrophobicContact CE2-CG2 3.59Å; F615-V698 HydrophobicContact CZ-CG2 4.23Å; P616-V698 PolarHBondContact O-N 3.07Å; L617-V698 HydrophobicContact CD1-CB 4.45Å; L617-V698 HydrophobicContact CD1-CG1 3.99Å; V618-V698 PolarHBondContact N-O 3.49Å; F634-V698 HydrophobicContact CD2-CB 4.29Å; F634-V698 HydrophobicContact CD2-CG1 4.25Å; F634-V698 HydrophobicContact CE2-CB 4.48Å; F634-V698 HydrophobicContact CE2-CG1 4.06Å; V698-N731 HydrophobicContact CG1-CB 4.17Å; V698-L735 HydrophobicContact CG1-CG 4.23Å
699	V	98.1	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.7	-178	-173.1	0	0	0	0	111.6	V618 L689 N690 Y697 Y701 W706 N731 L735	V618-V699 VanDerWaalsContact O-CA 3.31Å; V618-V699 WeakPolarHBondContact O-CA 3.33Å; L689-V699 HydrophobicContact CB-CG1 4Å; L689-V699 HydrophobicContact CB-CG2 4.01Å; L689-V699 HydrophobicContact CD1-CG1 3.89Å; L689-V699 HydrophobicContact CG-CG1 4.16Å; N690-V699 HydrophobicContact CB-CG2 4.11Å; Y697-V699 HydrophobicContact CD2-CG2 3.85Å; Y697-V699 HydrophobicContact CE2-CG2 3.68Å; V699-Y701 HydrophobicContact CB-CE2 4.02Å; V699-Y701 HydrophobicContact CG1-CD1 4.11Å; V699-Y701 HydrophobicContact CG1-CD2 4.22Å; V699-Y701 HydrophobicContact CG1-CE1 3.57Å; V699-Y701 HydrophobicContact CG1-CE2 3.7Å; V699-Y701 HydrophobicContact CG1-CG 4.4Å; V699-Y701 WeakPolarHBondContact CG1-OH 3.27Å; V699-W706 WeakPolarHBondContact O-CZ2 3.31Å; V699-N731 PolarHBondContact N-ND2 2.92Å; V699-N731 VanDerWaalsContact N-ND2 3.16Å; V699-L735 WeakPolarHBondContact O-CD1 3.49Å
700	D	97.4	Very high	95.9	Very high	18 Å²	18	24.6 Å²	24.6	10%	0.096	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129	167.4	-179	12.9	0	0	0	110	L617 V618 T619 L620 G702 W706 L735	L617-D700 HydrophobicContact CD1-CB 3.99Å; V618-D700 PolarHBondContact O-N 3.33Å; T619-D700 CarbonylContact C-O 3.56Å; T619-D700 VanDerWaalsContact CA-O 3.3Å; T619-D700 WeakPolarHBondContact CA-O 3.44Å; T619-D700 HydrophobicContact CG2-CB 4.45Å; L620-D700 PolarHBondContact N-O 2.88Å; D700-G702 PolarHBondContact OD1-N 2.89Å; D700-W706 PolarHBondContact OD1-NE1 3.16Å; D700-L735 HydrophobicContact CB-CD1 3.74Å; D700-L735 HydrophobicContact CB-CD2 4.19Å
701	Y	96.1	Very high	95.8	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.039	16%	0.162	C	C	.	.			trans	-100.8	-2.6	-178.9	-54.5	-89.6	0	0	0	113.2	L620 I687 K688 L689 V699 W706 I709	L620-Y701 HydrophobicContact CB-CD1 4.41Å; L620-Y701 HydrophobicContact CD2-CD1 4.01Å; I687-Y701 WeakPolarHBondContact O-CE1 3.37Å; K688-Y701 WeakPolarHBondContact CD-OH 3.48Å; L689-Y701 HydrophobicContact CB-CE1 4.34Å; L689-Y701 HydrophobicContact CG-CE1 4.09Å; L689-Y701 PolarHBondContact N-OH 3.25Å; L689-Y701 PolarHBondContact O-OH 2.67Å; V699-Y701 HydrophobicContact CB-CE2 4.02Å; V699-Y701 HydrophobicContact CG1-CD1 4.11Å; V699-Y701 HydrophobicContact CG1-CD2 4.22Å; V699-Y701 HydrophobicContact CG1-CE1 3.57Å; V699-Y701 HydrophobicContact CG1-CE2 3.7Å; V699-Y701 HydrophobicContact CG1-CG 4.4Å; V699-Y701 WeakPolarHBondContact CG1-OH 3.27Å; Y701-W706 AromaticContact CD2-CD2 3.86Å; Y701-W706 HydrophobicContact CD2-CD2 3.86Å; Y701-W706 AromaticContact CD2-CE2 3.77Å; Y701-W706 AromaticContact CD2-CE3 3.69Å; Y701-W706 HydrophobicContact CD2-CE3 3.69Å; Y701-W706 AromaticContact CD2-CH2 3.46Å; Y701-W706 HydrophobicContact CD2-CH2 3.46Å; Y701-W706 VanDerWaalsContact CD2-CH2 3.46Å; Y701-W706 AromaticContact CD2-CZ2 3.58Å; Y701-W706 HydrophobicContact CD2-CZ2 3.58Å; Y701-W706 AromaticContact CD2-CZ3 3.49Å; Y701-W706 HydrophobicContact CD2-CZ3 3.49Å; Y701-W706 VanDerWaalsContact CD2-CZ3 3.49Å; Y701-W706 HydrophobicContact CE2-CE3 4.3Å; Y701-W706 AromaticContact CE2-CH2 3.57Å; Y701-W706 HydrophobicContact CE2-CH2 3.57Å; Y701-W706 HydrophobicContact CE2-CZ2 4.09Å; Y701-W706 AromaticContact CE2-CZ3 3.68Å; Y701-W706 HydrophobicContact CE2-CZ3 3.68Å; Y701-I709 HydrophobicContact CD1-CD1 3.81Å; Y701-I709 HydrophobicContact CD2-CD1 3.7Å; Y701-I709 HydrophobicContact CE1-CD1 3.92Å; Y701-I709 HydrophobicContact CE2-CD1 3.81Å; Y701-I709 HydrophobicContact CG-CD1 3.73Å
702	G	92.8	Very high	95.8	Very high	27 Å²	27	28.5 Å²	28.5	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	65.7	170.2	-168.2	0	0	0	0	0	112.6	D700 D704 G705 W706	D700-G702 PolarHBondContact OD1-N 2.89Å; G702-D704 PolarHBondContact O-N 3.1Å; G702-G705 PolarHBondContact O-N 3.19Å; G702-W706 PolarHBondContact O-N 2.86Å
703	Q	91.6	Very high	95.8	Very high	95 Å²	95	25.6 Å²	25.6	44%	0.444	15%	0.151	S	C	.	.	H	α-helix	trans	-55.1	-49	-172.1	-172.9	63.7	57.7	0	0	113.2	G705 W706 N707	Q703-G705 VanDerWaalsContact C-N 3.33Å; Q703-G705 PolarHBondContact O-N 3.43Å; Q703-W706 PolarHBondContact O-N 3.33Å; Q703-N707 PolarHBondContact NE2-OD1 3.43Å; Q703-N707 WeakPolarHBondContact O-CB 3.34Å; Q703-N707 PolarHBondContact O-N 3.31Å; Q703-N707 PolarHBondContact O-OD1 2.83Å
704	D	92	Very high	95.7	Very high	138 Å²	138	28.2 Å²	28.2	74%	0.738	17%	0.17	S	C	*	.	H	α-helix	trans	-66.2	-36.3	-178.1	-55.9	-31.5	0	0	0	111.9	G702 A708	G702-D704 PolarHBondContact O-N 3.1Å; D704-A708 WeakPolarHBondContact O-CB 3.29Å; D704-A708 PolarHBondContact O-N 3.47Å
705	G	94.4	Very high	95.5	Very high	23 Å²	23	34.9 Å²	34.9	24%	0.237	20%	0.199	C	C	.	.	H	α-helix	trans	-72.8	-38.5	177.8	0	0	0	0	0	112.9	G702 Q703 A708 I709	G702-G705 PolarHBondContact O-N 3.19Å; Q703-G705 VanDerWaalsContact C-N 3.33Å; Q703-G705 PolarHBondContact O-N 3.43Å; G705-A708 PolarHBondContact O-N 2.98Å; G705-I709 WeakPolarHBondContact O-CG1 3.43Å; G705-I709 PolarHBondContact O-N 3.4Å
706	W	95.7	Very high	95.4	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-41.1	171.8	-72.5	121.2	0	0	0	111.7	V699 D700 Y701 G702 Q703 I709 H710 V728 N731 T732 L735 M749	V699-W706 WeakPolarHBondContact O-CZ2 3.31Å; D700-W706 PolarHBondContact OD1-NE1 3.16Å; Y701-W706 AromaticContact CD2-CD2 3.86Å; Y701-W706 HydrophobicContact CD2-CD2 3.86Å; Y701-W706 AromaticContact CD2-CE2 3.77Å; Y701-W706 AromaticContact CD2-CE3 3.69Å; Y701-W706 HydrophobicContact CD2-CE3 3.69Å; Y701-W706 AromaticContact CD2-CH2 3.46Å; Y701-W706 HydrophobicContact CD2-CH2 3.46Å; Y701-W706 VanDerWaalsContact CD2-CH2 3.46Å; Y701-W706 AromaticContact CD2-CZ2 3.58Å; Y701-W706 HydrophobicContact CD2-CZ2 3.58Å; Y701-W706 AromaticContact CD2-CZ3 3.49Å; Y701-W706 HydrophobicContact CD2-CZ3 3.49Å; Y701-W706 VanDerWaalsContact CD2-CZ3 3.49Å; Y701-W706 HydrophobicContact CE2-CE3 4.3Å; Y701-W706 AromaticContact CE2-CH2 3.57Å; Y701-W706 HydrophobicContact CE2-CH2 3.57Å; Y701-W706 HydrophobicContact CE2-CZ2 4.09Å; Y701-W706 AromaticContact CE2-CZ3 3.68Å; Y701-W706 HydrophobicContact CE2-CZ3 3.68Å; G702-W706 PolarHBondContact O-N 2.86Å; Q703-W706 PolarHBondContact O-N 3.33Å; W706-I709 PolarHBondContact O-N 2.77Å; W706-H710 WeakPolarHBondContact O-CB 3.38Å; W706-H710 PolarHBondContact O-N 2.89Å; W706-V728 HydrophobicContact CZ3-CG1 4.2Å; W706-N731 HydrophobicContact CH2-CB 4.05Å; W706-T732 WeakPolarHBondContact CZ3-OG1 3.39Å; W706-L735 HydrophobicContact CH2-CD1 4.47Å; W706-L735 HydrophobicContact CZ2-CD1 3.59Å; W706-M749 HydrophobicContact CB-CE 4.33Å; W706-M749 HydrophobicContact CE3-CE 3.74Å; W706-M749 HydrophobicContact CZ3-CE 4.49Å; W706-M749 VanDerWaalsContact O-CE 3.32Å; W706-M749 WeakPolarHBondContact O-CE 3.31Å
707	N	95	Very high	95.2	Very high	48 Å²	48	39.6 Å²	39.6	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-45.9	174.5	-68.7	-3.6	0	0	0	111.2	Q703 I709 H710 D711 Q745	Q703-N707 PolarHBondContact NE2-OD1 3.43Å; Q703-N707 WeakPolarHBondContact O-CB 3.34Å; Q703-N707 PolarHBondContact O-N 3.31Å; Q703-N707 PolarHBondContact O-OD1 2.83Å; N707-I709 VanDerWaalsContact C-N 3.28Å; N707-I709 PolarHBondContact O-N 3.46Å; N707-H710 WeakPolarHBondContact O-CB 3.37Å; N707-H710 PolarHBondContact O-N 3.44Å; N707-H710 VanDerWaalsContact O-N 3.12Å; N707-D711 WeakPolarHBondContact O-CB 3.26Å; N707-D711 PolarHBondContact O-N 2.88Å; N707-Q745 PolarHBondContact OD1-NE2 2.71Å
708	A	95.4	Very high	95.1	Very high	29 Å²	29	43 Å²	43	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-31.7	178.3	0	0	0	0	0	113.8	W686 D704 G705 A712	W686-A708 HydrophobicContact CB-CB 4.09Å; D704-A708 WeakPolarHBondContact O-CB 3.29Å; D704-A708 PolarHBondContact O-N 3.47Å; G705-A708 PolarHBondContact O-N 2.98Å; A708-A712 WeakPolarHBondContact O-CB 3.49Å; A708-A712 PolarHBondContact O-N 3.35Å
709	I	96.6	Very high	95	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-73.1	-44.5	172.3	-69.5	169.3	0	0	0	111	Y701 G705 W706 N707 D711 A712 L713 L720 V728 M749	Y701-I709 HydrophobicContact CD1-CD1 3.81Å; Y701-I709 HydrophobicContact CD2-CD1 3.7Å; Y701-I709 HydrophobicContact CE1-CD1 3.92Å; Y701-I709 HydrophobicContact CE2-CD1 3.81Å; Y701-I709 HydrophobicContact CG-CD1 3.73Å; G705-I709 WeakPolarHBondContact O-CG1 3.43Å; G705-I709 PolarHBondContact O-N 3.4Å; W706-I709 PolarHBondContact O-N 2.77Å; N707-I709 VanDerWaalsContact C-N 3.28Å; N707-I709 PolarHBondContact O-N 3.46Å; I709-D711 PolarHBondContact O-N 3.19Å; I709-A712 PolarHBondContact O-N 2.9Å; I709-L713 HydrophobicContact CG2-CD1 4.04Å; I709-L713 WeakPolarHBondContact O-CG 3.22Å; I709-L713 PolarHBondContact O-N 3.28Å; I709-L720 HydrophobicContact CG2-CD1 4.43Å; I709-V728 HydrophobicContact CG2-CG1 4.2Å; I709-V728 HydrophobicContact CG2-CG2 4.1Å; I709-M749 HydrophobicContact CG2-SD 4.46Å
710	H	96.3	Very high	94.9	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-47.4	175.9	162.6	-86.5	0	0	0	111.9	W706 N707 A712 L713 S714 H748 M749 S751	W706-H710 WeakPolarHBondContact O-CB 3.38Å; W706-H710 PolarHBondContact O-N 2.89Å; N707-H710 WeakPolarHBondContact O-CB 3.37Å; N707-H710 PolarHBondContact O-N 3.44Å; N707-H710 VanDerWaalsContact O-N 3.12Å; H710-A712 VanDerWaalsContact C-N 3.32Å; H710-A712 PolarHBondContact O-N 2.92Å; H710-L713 PolarHBondContact O-N 3.05Å; H710-S714 PolarHBondContact CE1-OG 3.07Å; H710-S714 PolarHBondContact NE2-OG 3.24Å; H710-S714 WeakPolarHBondContact O-CB 3.29Å; H710-S714 PolarHBondContact O-N 2.93Å; H710-S714 PolarHBondContact O-OG 2.71Å; H710-H748 AromaticContact CD2-CE1 3.72Å; H710-H748 AromaticContact CD2-ND1 3.88Å; H710-H748 AromaticContact CD2-NE2 3.95Å; H710-H748 PolarHBondContact CD2-O 3.43Å; H710-H748 AromaticContact CE1-CE1 3.52Å; H710-H748 AromaticContact CE1-NE2 3.29Å; H710-H748 PolarHBondContact CE1-NE2 3.27Å; H710-H748 VanDerWaalsContact CE1-NE2 3.29Å; H710-H748 AromaticContact CG-CE1 3.53Å; H710-H748 AromaticContact CG-ND1 3.92Å; H710-H748 AromaticContact ND1-CE1 3.4Å; H710-H748 PolarHBondContact ND1-CE1 3.21Å; H710-H748 AromaticContact ND1-NE2 3.68Å; H710-H748 AromaticContact NE2-CD2 3.73Å; H710-H748 AromaticContact NE2-CE1 3.71Å; H710-H748 AromaticContact NE2-NE2 3.46Å; H710-H748 PolarHBondContact NE2-NE2 3.15Å; H710-H748 PolarHBondContact NE2-O 2.98Å; H710-M749 HydrophobicContact CB-CE 3.98Å; H710-M749 HydrophobicContact CB-SD 4.3Å; H710-S751 PolarHBondContact CD2-OG 2.95Å; H710-S751 VanDerWaalsContact CD2-OG 3.29Å; H710-S751 PolarHBondContact NE2-OG 3.15Å
711	D	95.8	Very high	94.9	Very high	83 Å²	83	44.5 Å²	44.5	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-40.1	-177	-62.5	-11.9	0	0	0	110.4	N707 I709 S714 E715	N707-D711 WeakPolarHBondContact O-CB 3.26Å; N707-D711 PolarHBondContact O-N 2.88Å; I709-D711 PolarHBondContact O-N 3.19Å; D711-S714 PolarHBondContact O-N 2.81Å; D711-E715 WeakPolarHBondContact O-CG 3.4Å; D711-E715 PolarHBondContact O-N 2.95Å
712	A	95.6	Very high	94.9	Very high	10 Å²	10	44.7 Å²	44.7	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-42.5	174.6	0	0	0	0	0	113.1	W686 A708 I709 H710 N716 V719	W686-A712 VanDerWaalsContact CD1-CB 3.49Å; W686-A712 HydrophobicContact CG-CB 4.28Å; W686-A712 VanDerWaalsContact NE1-CB 3.27Å; A708-A712 WeakPolarHBondContact O-CB 3.49Å; A708-A712 PolarHBondContact O-N 3.35Å; I709-A712 PolarHBondContact O-N 2.9Å; H710-A712 VanDerWaalsContact C-N 3.32Å; H710-A712 PolarHBondContact O-N 2.92Å; A712-N716 CarbonylContact O-C 3.52Å; A712-N716 PolarHBondContact O-N 3.32Å; A712-V719 HydrophobicContact CB-CG2 4.06Å
713	L	96.2	Very high	95.1	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-71.4	-30.4	176.9	-69.6	175.4	0	0	0	112.8	I709 H710 N716 I717 V719 L720 R725 F752	I709-L713 HydrophobicContact CG2-CD1 4.04Å; I709-L713 WeakPolarHBondContact O-CG 3.22Å; I709-L713 PolarHBondContact O-N 3.28Å; H710-L713 PolarHBondContact O-N 3.05Å; L713-N716 CarbonylContact O-C 3.59Å; L713-I717 HydrophobicContact CD2-CG1 4.47Å; L713-I717 PolarHBondContact O-N 2.87Å; L713-V719 HydrophobicContact CD2-CG2 4.38Å; L713-L720 HydrophobicContact CD1-CD1 4.5Å; L713-L720 HydrophobicContact CD2-CB 4.24Å; L713-L720 HydrophobicContact CD2-CD1 4.16Å; L713-L720 HydrophobicContact CD2-CG 4.34Å; L713-L720 HydrophobicContact CG-CD1 4.5Å; L713-R725 HydrophobicContact CD2-CG 3.88Å; L713-F752 HydrophobicContact CB-CB 4.48Å; L713-F752 HydrophobicContact CB-CD1 3.97Å; L713-F752 HydrophobicContact CB-CE1 4.46Å; L713-F752 HydrophobicContact CB-CG 4.21Å; L713-F752 HydrophobicContact CD1-CD1 3.96Å; L713-F752 HydrophobicContact CD1-CE1 3.6Å; L713-F752 HydrophobicContact CD1-CZ 4.06Å
714	S	93.8	Very high	95.3	Very high	56 Å²	56	40.8 Å²	40.8	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-72.9	-37.4	175.2	-59.5	0	0	0	0	112.4	H710 D711	H710-S714 PolarHBondContact CE1-OG 3.07Å; H710-S714 PolarHBondContact NE2-OG 3.24Å; H710-S714 WeakPolarHBondContact O-CB 3.29Å; H710-S714 PolarHBondContact O-N 2.93Å; H710-S714 PolarHBondContact O-OG 2.71Å; D711-S714 PolarHBondContact O-N 2.81Å
715	E	93	Very high	95.6	Very high	158 Å²	158	34.8 Å²	34.8	74%	0.738	20%	0.202	S	C	*	.	H	α-helix	trans	-69.6	-47.1	172.2	-76	-176.8	179.4	0	0	111.7	D711	D711-E715 WeakPolarHBondContact O-CG 3.4Å; D711-E715 PolarHBondContact O-N 2.95Å
716	N	94.2	Very high	95.8	Very high	82 Å²	82	33.7 Å²	33.7	44%	0.439	19%	0.191	S	C	.	.			trans	-159	104.9	-178.8	176.3	8.9	0	0	0	111.4	A712 L713 S718 V719	A712-N716 CarbonylContact O-C 3.52Å; A712-N716 PolarHBondContact O-N 3.32Å; L713-N716 CarbonylContact O-C 3.59Å; N716-S718 PolarHBondContact O-N 2.58Å; N716-S718 WeakPolarHBondContact OD1-CB 3.47Å; N716-S718 PolarHBondContact OD1-N 2.9Å; N716-V719 HydrophobicContact CB-CG1 3.91Å; N716-V719 WeakPolarHBondContact O-CG1 3.48Å; N716-V719 WeakPolarHBondContact O-CG2 3.31Å; N716-V719 PolarHBondContact O-N 2.93Å; N716-V719 VanDerWaalsContact O-N 3.11Å
717	I	94.4	Very high	95.9	Very high	26 Å²	26	33.6 Å²	33.6	13%	0.133	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.9	179.7	-160	172.9	0	0	0	113.9	L713 V719 R725 F752 E756	L713-I717 HydrophobicContact CD2-CG1 4.47Å; L713-I717 PolarHBondContact O-N 2.87Å; I717-V719 PolarHBondContact O-N 3.21Å; I717-R725 WeakPolarHBondContact O-CD 3.1Å; I717-R725 PolarHBondContact O-NH1 3.15Å; I717-F752 HydrophobicContact CD1-CD2 3.57Å; I717-F752 HydrophobicContact CD1-CE2 3.99Å; I717-F752 HydrophobicContact CG1-CD2 4.03Å; I717-F752 HydrophobicContact CG1-CE2 4.38Å; I717-E756 HydrophobicContact CD1-CB 3.68Å; I717-E756 VanDerWaalsContact CD1-CD 3.49Å; I717-E756 HydrophobicContact CD1-CG 4.16Å; I717-E756 WeakPolarHBondContact CD1-OE2 3.09Å
718	S	94.5	Very high	96	Very high	71 Å²	71	31.3 Å²	31.3	50%	0.497	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-77.5	4.1	-178.9	-57	0	0	0	0	114.2	L661 N716 L720	L661-S718 WeakPolarHBondContact CD1-O 3.25Å; L661-S718 WeakPolarHBondContact CD2-O 3.38Å; N716-S718 PolarHBondContact O-N 2.58Å; N716-S718 WeakPolarHBondContact OD1-CB 3.47Å; N716-S718 PolarHBondContact OD1-N 2.9Å; S718-L720 VanDerWaalsContact C-N 3.27Å
719	V	95.7	Very high	96.1	Very high	33 Å²	33	30 Å²	30	20%	0.2	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-74.2	-16.2	173.9	-60.7	0	0	0	0	113.6	S660 W686 A712 L713 N716 I717	S660-V719 VanDerWaalsContact CB-O 3.23Å; S660-V719 WeakPolarHBondContact CB-O 3.29Å; S660-V719 PolarHBondContact OG-O 3.1Å; W686-V719 HydrophobicContact CZ2-CB 4Å; W686-V719 HydrophobicContact CZ2-CG2 4.02Å; A712-V719 HydrophobicContact CB-CG2 4.06Å; L713-V719 HydrophobicContact CD2-CG2 4.38Å; N716-V719 HydrophobicContact CB-CG1 3.91Å; N716-V719 WeakPolarHBondContact O-CG1 3.48Å; N716-V719 WeakPolarHBondContact O-CG2 3.31Å; N716-V719 PolarHBondContact O-N 2.93Å; N716-V719 VanDerWaalsContact O-N 3.11Å; I717-V719 PolarHBondContact O-N 3.21Å
720	L	96.8	Very high	96.2	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-122.3	151.6	172.2	-70.1	-176.5	0	0	0	110.4	W686 K688 I709 L713 S718 D724 R725 V728	W686-L720 HydrophobicContact CH2-CD2 3.65Å; W686-L720 HydrophobicContact CH2-CG 4.41Å; W686-L720 HydrophobicContact CZ3-CD2 3.65Å; K688-L720 HydrophobicContact CB-CD2 3.92Å; K688-L720 HydrophobicContact CG-CD1 4.47Å; K688-L720 HydrophobicContact CG-CD2 3.97Å; I709-L720 HydrophobicContact CG2-CD1 4.43Å; L713-L720 HydrophobicContact CD1-CD1 4.5Å; L713-L720 HydrophobicContact CD2-CB 4.24Å; L713-L720 HydrophobicContact CD2-CD1 4.16Å; L713-L720 HydrophobicContact CD2-CG 4.34Å; L713-L720 HydrophobicContact CG-CD1 4.5Å; S718-L720 VanDerWaalsContact C-N 3.27Å; L720-D724 HydrophobicContact CB-CB 4.07Å; L720-D724 HydrophobicContact CD2-CB 4.42Å; L720-R725 HydrophobicContact CB-CG 3.82Å; L720-R725 PolarHBondContact O-NH1 3.15Å; L720-V728 HydrophobicContact CD1-CG2 4.48Å
721	T	96.4	Very high	96.3	Very high	14 Å²	14	29.1 Å²	29.1	9%	0.086	16%	0.163	C	C	.	.			trans	-67	156.6	174.3	72.2	0	0	0	0	111	L661 Y691 E723 D724 R725	L661-T721 HydrophobicContact CD2-CG2 3.98Å; Y691-T721 HydrophobicContact CE2-CG2 4.03Å; T721-E723 WeakPolarHBondContact CB-OE2 3.4Å; T721-E723 PolarHBondContact O-N 3.35Å; T721-E723 PolarHBondContact OG1-OE2 3.25Å; T721-D724 PolarHBondContact O-N 3.21Å; T721-D724 WeakPolarHBondContact OG1-CB 3.49Å; T721-D724 VanDerWaalsContact OG1-CG 3.25Å; T721-D724 PolarHBondContact OG1-N 2.92Å; T721-D724 VanDerWaalsContact OG1-N 3.14Å; T721-D724 PolarHBondContact OG1-OD2 2.99Å; T721-R725 WeakPolarHBondContact O-CG 3.41Å; T721-R725 PolarHBondContact O-N 2.86Å
722	A	96.3	Very high	96.3	Very high	15 Å²	15	25.2 Å²	25.2	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-37.7	179.3	0	0	0	0	0	111.5	R725 A726 E758	A722-R725 PolarHBondContact O-N 2.68Å; A722-A726 WeakPolarHBondContact O-CB 3.16Å; A722-A726 PolarHBondContact O-N 2.98Å; A722-E758 HydrophobicContact CB-CB 3.8Å; A722-E758 HydrophobicContact CB-CG 4.09Å
723	E	96.5	Very high	96.3	Very high	40 Å²	40	25 Å²	25	19%	0.187	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-36.9	176.4	-50.7	100.4	119	0	0	112.4	L510 K692 T721 S727	L510-E723 HydrophobicContact CD2-CB 3.77Å; L510-E723 HydrophobicContact CD2-CG 3.94Å; K692-E723 HydrophobicContact CB-CB 4.12Å; K692-E723 WeakPolarHBondContact CD-OE1 3.4Å; K692-E723 VanDerWaalsContact CE-OE1 3.31Å; K692-E723 WeakPolarHBondContact CE-OE1 3.4Å; K692-E723 HydrophobicContact CG-CB 4.23Å; K692-E723 IonicContact NZ-OE1 3.17Å; K692-E723 PolarHBondContact NZ-OE1 3.35Å; K692-E723 IonicContact NZ-OE2 2.79Å; K692-E723 PolarHBondContact NZ-OE2 2.79Å; T721-E723 WeakPolarHBondContact CB-OE2 3.4Å; T721-E723 PolarHBondContact O-N 3.35Å; T721-E723 PolarHBondContact OG1-OE2 3.25Å; E723-S727 WeakPolarHBondContact O-CB 3.5Å; E723-S727 PolarHBondContact O-N 2.92Å; E723-S727 PolarHBondContact O-OG 3.42Å
724	D	97.8	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-40.8	173.7	-76.4	-56.1	0	0	0	111.6	K688 Y691 K692 L720 T721 S727 V728	K688-D724 WeakPolarHBondContact CE-O 3.27Å; K688-D724 HydrophobicContact CG-CB 4.35Å; K688-D724 IonicContact NZ-OD1 2.78Å; K688-D724 PolarHBondContact NZ-OD1 3.48Å; Y691-D724 WeakPolarHBondContact CA-OD1 3.35Å; Y691-D724 WeakPolarHBondContact CD2-OD2 3.37Å; K692-D724 PolarHBondContact N-OD1 3.21Å; L720-D724 HydrophobicContact CB-CB 4.07Å; L720-D724 HydrophobicContact CD2-CB 4.42Å; T721-D724 PolarHBondContact O-N 3.21Å; T721-D724 WeakPolarHBondContact OG1-CB 3.49Å; T721-D724 VanDerWaalsContact OG1-CG 3.25Å; T721-D724 PolarHBondContact OG1-N 2.92Å; T721-D724 VanDerWaalsContact OG1-N 3.14Å; T721-D724 PolarHBondContact OG1-OD2 2.99Å; D724-S727 WeakPolarHBondContact CA-OG 3.44Å; D724-S727 PolarHBondContact O-N 3.1Å; D724-S727 PolarHBondContact O-OG 3.48Å; D724-V728 WeakPolarHBondContact O-CG2 3.17Å; D724-V728 PolarHBondContact O-N 3.15Å
725	R	98.1	Very high	96.3	Very high	12 Å²	12	22.4 Å²	22.4	5%	0.045	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-44.3	176.5	-62.7	-168.3	-50.8	-100.9	13.4	111.9	L713 I717 L720 T721 A722 S727 V728 I729 E756 E758 P761	L713-R725 HydrophobicContact CD2-CG 3.88Å; I717-R725 WeakPolarHBondContact O-CD 3.1Å; I717-R725 PolarHBondContact O-NH1 3.15Å; L720-R725 HydrophobicContact CB-CG 3.82Å; L720-R725 PolarHBondContact O-NH1 3.15Å; T721-R725 WeakPolarHBondContact O-CG 3.41Å; T721-R725 PolarHBondContact O-N 2.86Å; A722-R725 PolarHBondContact O-N 2.68Å; R725-S727 VanDerWaalsContact C-N 3.3Å; R725-S727 PolarHBondContact O-N 3.04Å; R725-V728 WeakPolarHBondContact O-CB 3.43Å; R725-V728 PolarHBondContact O-N 3.47Å; R725-V728 VanDerWaalsContact O-N 3.16Å; R725-I729 WeakPolarHBondContact O-CG1 3.46Å; R725-I729 PolarHBondContact O-N 3.48Å; R725-E756 IonicContact CZ-OE1 3.18Å; R725-E756 IonicContact CZ-OE2 3.66Å; R725-E756 VanDerWaalsContact CZ-OE2 3.25Å; R725-E756 IonicContact NE-OE1 2.65Å; R725-E756 IonicContact NE-OE2 2.71Å; R725-E756 PolarHBondContact NE-OE2 3.01Å; R725-E756 IonicContact NH2-OE1 2.74Å; R725-E756 PolarHBondContact NH2-OE1 3.36Å; R725-E756 IonicContact NH2-OE2 2.58Å; R725-E756 PolarHBondContact NH2-OE2 3.35Å; R725-E758 VanDerWaalsContact NH2-CG 3.28Å; R725-P761 HydrophobicContact CB-CB 4.1Å; R725-P761 HydrophobicContact CB-CG 4.48Å
726	A	97.8	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58	-41.7	171.6	0	0	0	0	0	112	L510 F514 A722 V728 I729 H730 A760 P761	L510-A726 HydrophobicContact CD2-CB 4Å; F514-A726 HydrophobicContact CE2-CB 4.11Å; F514-A726 HydrophobicContact CZ-CB 4.2Å; A722-A726 WeakPolarHBondContact O-CB 3.16Å; A722-A726 PolarHBondContact O-N 2.98Å; A726-V728 PolarHBondContact O-N 3.18Å; A726-I729 PolarHBondContact O-N 3.42Å; A726-H730 PolarHBondContact O-N 3.46Å; A726-A760 HydrophobicContact CB-CB 3.99Å; A726-P761 HydrophobicContact CB-CB 4.45Å
727	S	97.6	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.8	-31	176.5	76.3	0	0	0	0	113.9	K688 E723 D724 R725 N731	K688-S727 VanDerWaalsContact CE-OG 3.22Å; K688-S727 WeakPolarHBondContact CE-OG 3.28Å; K688-S727 PolarHBondContact NZ-OG 2.94Å; E723-S727 WeakPolarHBondContact O-CB 3.5Å; E723-S727 PolarHBondContact O-N 2.92Å; E723-S727 PolarHBondContact O-OG 3.42Å; D724-S727 WeakPolarHBondContact CA-OG 3.44Å; D724-S727 PolarHBondContact O-N 3.1Å; D724-S727 PolarHBondContact O-OG 3.48Å; R725-S727 VanDerWaalsContact C-N 3.3Å; R725-S727 PolarHBondContact O-N 3.04Å; S727-N731 WeakPolarHBondContact O-CB 3.03Å; S727-N731 PolarHBondContact O-N 3.49Å; S727-N731 PolarHBondContact O-ND2 3.12Å
728	V	97.6	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-45	172.1	160.3	0	0	0	0	110	K688 W706 I709 L720 D724 R725 A726 T732 M749	K688-V728 HydrophobicContact CD-CG2 4.13Å; W706-V728 HydrophobicContact CZ3-CG1 4.2Å; I709-V728 HydrophobicContact CG2-CG1 4.2Å; I709-V728 HydrophobicContact CG2-CG2 4.1Å; L720-V728 HydrophobicContact CD1-CG2 4.48Å; D724-V728 WeakPolarHBondContact O-CG2 3.17Å; D724-V728 PolarHBondContact O-N 3.15Å; R725-V728 WeakPolarHBondContact O-CB 3.43Å; R725-V728 PolarHBondContact O-N 3.47Å; R725-V728 VanDerWaalsContact O-N 3.16Å; A726-V728 PolarHBondContact O-N 3.18Å; V728-T732 WeakPolarHBondContact O-CB 3.18Å; V728-T732 PolarHBondContact O-N 2.86Å; V728-T732 PolarHBondContact O-OG1 2.92Å; V728-M749 HydrophobicContact CG1-CE 4.37Å; V728-M749 HydrophobicContact CG1-CG 3.86Å; V728-M749 HydrophobicContact CG1-SD 3.54Å; V728-M749 VanDerWaalsContact CG1-SD 3.54Å
729	I	98	Very high	95.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-56.2	176.7	-64.3	161.5	0	0	0	110.2	R725 A726 N731 T732 F733 L750 F752 M753 P761 E764 A765	R725-I729 WeakPolarHBondContact O-CG1 3.46Å; R725-I729 PolarHBondContact O-N 3.48Å; A726-I729 PolarHBondContact O-N 3.42Å; I729-N731 PolarHBondContact O-N 3.18Å; I729-T732 PolarHBondContact O-N 3.2Å; I729-F733 HydrophobicContact CG2-CD2 3.83Å; I729-F733 HydrophobicContact CG2-CE2 3.86Å; I729-F733 WeakPolarHBondContact O-CD2 3.4Å; I729-F733 PolarHBondContact O-N 2.89Å; I729-L750 HydrophobicContact CG1-CD2 4.26Å; I729-L750 HydrophobicContact CG2-CD2 4.25Å; I729-F752 HydrophobicContact CD1-CZ 4.13Å; I729-F752 HydrophobicContact CG1-CZ 4.34Å; I729-M753 HydrophobicContact CD1-CE 4.41Å; I729-M753 HydrophobicContact CD1-SD 3.91Å; I729-P761 HydrophobicContact CD1-CB 3.75Å; I729-P761 WeakPolarHBondContact CD1-O 3.38Å; I729-E764 HydrophobicContact CB-CG 4.37Å; I729-E764 HydrophobicContact CG2-CG 4.01Å; I729-A765 HydrophobicContact CD1-CB 4.38Å; I729-A765 HydrophobicContact CG2-CB 4.13Å
730	H	97.9	Very high	95.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-53.9	-51.4	179.3	178.8	-92.7	0	0	0	112	F514 D518 A726 T732 F733 A734 E764	F514-H730 HydrophobicContact CD1-CB 3.76Å; F514-H730 AromaticContact CD1-CD2 3.68Å; F514-H730 AromaticContact CD1-CG 3.36Å; F514-H730 AromaticContact CD1-ND1 3.61Å; F514-H730 HydrophobicContact CE1-CB 3.6Å; F514-H730 AromaticContact CE1-CG 3.71Å; F514-H730 AromaticContact CE1-ND1 4Å; F514-H730 HydrophobicContact CE2-CB 4.37Å; F514-H730 HydrophobicContact CG-CB 4.25Å; F514-H730 AromaticContact CG-CD2 3.74Å; F514-H730 AromaticContact CG-CG 3.86Å; F514-H730 HydrophobicContact CZ-CB 3.94Å; D518-H730 IonicContact OD1-CD2 2.61Å; D518-H730 IonicContact OD1-CE1 2.68Å; D518-H730 IonicContact OD1-NE2 3.92Å; D518-H730 PolarHBondContact OD1-NE2 3.32Å; A726-H730 PolarHBondContact O-N 3.46Å; H730-T732 VanDerWaalsContact C-N 3.32Å; H730-T732 PolarHBondContact O-N 2.83Å; H730-F733 PolarHBondContact O-N 2.6Å; H730-A734 WeakPolarHBondContact O-CB 3.22Å; H730-A734 PolarHBondContact O-N 3.35Å; H730-E764 HydrophobicContact CB-CG 4.22Å; H730-E764 IonicContact CD2-OE1 3.99Å; H730-E764 PolarHBondContact CD2-OE1 2.83Å; H730-E764 IonicContact CG-OE1 3.91Å
731	N	97.7	Very high	95	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-40.6	-179.9	-73.7	-6.8	0	0	0	112.4	V698 V699 W706 S727 I729 A734 L735	V698-N731 HydrophobicContact CG1-CB 4.17Å; V699-N731 PolarHBondContact N-ND2 2.92Å; V699-N731 VanDerWaalsContact N-ND2 3.16Å; W706-N731 HydrophobicContact CH2-CB 4.05Å; S727-N731 WeakPolarHBondContact O-CB 3.03Å; S727-N731 PolarHBondContact O-N 3.49Å; S727-N731 PolarHBondContact O-ND2 3.12Å; I729-N731 PolarHBondContact O-N 3.18Å; N731-A734 PolarHBondContact O-N 2.62Å; N731-L735 WeakPolarHBondContact O-CB 3.43Å; N731-L735 WeakPolarHBondContact O-CD1 3.48Å; N731-L735 VanDerWaalsContact O-CG 3.29Å; N731-L735 WeakPolarHBondContact O-CG 3.47Å; N731-L735 PolarHBondContact O-N 2.93Å
732	T	96.2	Very high	94.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-42.5	-179.5	-51.6	0	0	0	0	110.8	W706 V728 I729 H730 S736 V741 V746 M749	W706-T732 WeakPolarHBondContact CZ3-OG1 3.39Å; V728-T732 WeakPolarHBondContact O-CB 3.18Å; V728-T732 PolarHBondContact O-N 2.86Å; V728-T732 PolarHBondContact O-OG1 2.92Å; I729-T732 PolarHBondContact O-N 3.2Å; H730-T732 VanDerWaalsContact C-N 3.32Å; H730-T732 PolarHBondContact O-N 2.83Å; T732-S736 WeakPolarHBondContact O-CB 3.12Å; T732-S736 PolarHBondContact O-N 3.06Å; T732-V741 HydrophobicContact CG2-CG1 3.91Å; T732-V746 HydrophobicContact CG2-CB 4.32Å; T732-V746 HydrophobicContact CG2-CG1 4.47Å; T732-V746 HydrophobicContact CG2-CG2 4.08Å; T732-M749 HydrophobicContact CG2-CB 4.26Å
733	F	96.2	Very high	94.4	Very high	6 Å²	6	21 Å²	21	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-44	172.8	-85.2	-77.4	0	0	0	112.6	I729 H730 L735 S736 R737 F743 V746 L750 Q768 L769 I772	I729-F733 HydrophobicContact CG2-CD2 3.83Å; I729-F733 HydrophobicContact CG2-CE2 3.86Å; I729-F733 WeakPolarHBondContact O-CD2 3.4Å; I729-F733 PolarHBondContact O-N 2.89Å; H730-F733 PolarHBondContact O-N 2.6Å; F733-L735 PolarHBondContact O-N 3.03Å; F733-S736 PolarHBondContact O-N 2.76Å; F733-S736 VanDerWaalsContact O-N 3.17Å; F733-R737 WeakPolarHBondContact O-CG 3.41Å; F733-R737 PolarHBondContact O-N 2.92Å; F733-F743 HydrophobicContact CE1-CE2 4.42Å; F733-V746 HydrophobicContact CD1-CG1 3.81Å; F733-V746 HydrophobicContact CD2-CG1 3.96Å; F733-V746 HydrophobicContact CE1-CG1 3.58Å; F733-V746 HydrophobicContact CE2-CG1 3.73Å; F733-V746 HydrophobicContact CG-CG1 4.01Å; F733-V746 HydrophobicContact CZ-CG1 3.54Å; F733-L750 HydrophobicContact CE2-CD1 4.01Å; F733-L750 HydrophobicContact CE2-CD2 4.45Å; F733-L750 HydrophobicContact CZ-CD1 3.86Å; F733-Q768 HydrophobicContact CB-CB 4.42Å; F733-Q768 HydrophobicContact CB-CG 4.08Å; F733-Q768 HydrophobicContact CD1-CB 3.71Å; F733-Q768 HydrophobicContact CD1-CG 4.31Å; F733-Q768 HydrophobicContact CD2-CB 3.6Å; F733-Q768 HydrophobicContact CD2-CG 3.69Å; F733-Q768 HydrophobicContact CE1-CB 3.71Å; F733-Q768 HydrophobicContact CE2-CB 3.61Å; F733-Q768 HydrophobicContact CE2-CG 4.14Å; F733-Q768 HydrophobicContact CG-CB 3.65Å; F733-Q768 HydrophobicContact CG-CG 3.78Å; F733-Q768 HydrophobicContact CZ-CB 3.65Å; F733-L769 HydrophobicContact CE1-CD2 4.4Å; F733-L769 HydrophobicContact CZ-CD2 3.91Å; F733-L769 HydrophobicContact CZ-CG 4.07Å; F733-I772 HydrophobicContact CD1-CD1 4.34Å; F733-I772 HydrophobicContact CE1-CD1 3.8Å
734	A	95.4	Very high	94.1	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-43.8	178.2	0	0	0	0	0	111.9	F634 H730 N731 S736 R737 L738	F634-A734 HydrophobicContact CZ-CB 3.87Å; H730-A734 WeakPolarHBondContact O-CB 3.22Å; H730-A734 PolarHBondContact O-N 3.35Å; N731-A734 PolarHBondContact O-N 2.62Å; A734-S736 VanDerWaalsContact C-N 3.32Å; A734-S736 PolarHBondContact O-N 3.01Å; A734-R737 WeakPolarHBondContact O-CB 3.23Å; A734-R737 PolarHBondContact O-N 2.97Å; A734-L738 PolarHBondContact O-N 2.91Å; A734-L738 VanDerWaalsContact O-N 3.08Å
735	L	95.1	Very high	93.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-28	175.6	-71.9	164.5	0	0	0	113.2	L617 F634 V698 V699 D700 W706 N731 F733 L738 G739 R740 V741	L617-L735 HydrophobicContact CD1-CD2 3.83Å; L617-L735 HydrophobicContact CD2-CD2 4.02Å; F634-L735 HydrophobicContact CE2-CD2 4.18Å; V698-L735 HydrophobicContact CG1-CG 4.23Å; V699-L735 WeakPolarHBondContact O-CD1 3.49Å; D700-L735 HydrophobicContact CB-CD1 3.74Å; D700-L735 HydrophobicContact CB-CD2 4.19Å; W706-L735 HydrophobicContact CH2-CD1 4.47Å; W706-L735 HydrophobicContact CZ2-CD1 3.59Å; N731-L735 WeakPolarHBondContact O-CB 3.43Å; N731-L735 WeakPolarHBondContact O-CD1 3.48Å; N731-L735 VanDerWaalsContact O-CG 3.29Å; N731-L735 WeakPolarHBondContact O-CG 3.47Å; N731-L735 PolarHBondContact O-N 2.93Å; F733-L735 PolarHBondContact O-N 3.03Å; L735-L738 HydrophobicContact CD2-CD2 4.48Å; L735-L738 PolarHBondContact O-N 3Å; L735-G739 PolarHBondContact O-N 3.5Å; L735-G739 VanDerWaalsContact O-N 3.08Å; L735-R740 HydrophobicContact CD2-CB 4.24Å; L735-R740 PolarHBondContact O-N 3.49Å; L735-V741 HydrophobicContact CB-CB 3.95Å; L735-V741 HydrophobicContact CB-CG2 3.57Å; L735-V741 HydrophobicContact CD1-CG2 4.09Å; L735-V741 HydrophobicContact CG-CG2 4.44Å; L735-V741 PolarHBondContact O-N 3.31Å
736	S	93.3	Very high	93.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-71.9	-37.4	171	-172.2	0	0	0	0	112.4	T732 F733 A734 L738 G739 V741 V746	T732-S736 WeakPolarHBondContact O-CB 3.12Å; T732-S736 PolarHBondContact O-N 3.06Å; F733-S736 PolarHBondContact O-N 2.76Å; F733-S736 VanDerWaalsContact O-N 3.17Å; A734-S736 VanDerWaalsContact C-N 3.32Å; A734-S736 PolarHBondContact O-N 3.01Å; S736-L738 VanDerWaalsContact C-N 3.25Å; S736-L738 PolarHBondContact O-N 3.48Å; S736-G739 PolarHBondContact O-N 2.94Å; S736-V741 VanDerWaalsContact CA-O 3.24Å; S736-V741 WeakPolarHBondContact CA-O 3.31Å; S736-V741 WeakPolarHBondContact CB-O 3.49Å; S736-V741 PolarHBondContact OG-O 3.2Å; S736-V746 VanDerWaalsContact CB-CG2 3.47Å
737	R	90.4	Very high	93.3	Very high	84 Å²	84	23 Å²	23	32%	0.317	12%	0.123	S	C	.	.	H	α-helix	trans	-60.3	-35.8	169.6	-71.3	170.1	66	-172	0.3	112.1	D518 L636 F733 A734 G739	D518-R737 IonicContact OD1-NH1 3.08Å; D518-R737 IonicContact OD2-CZ 3.22Å; D518-R737 IonicContact OD2-NH1 2.67Å; D518-R737 PolarHBondContact OD2-NH1 3.1Å; L636-R737 HydrophobicContact CD2-CB 3.81Å; F733-R737 WeakPolarHBondContact O-CG 3.41Å; F733-R737 PolarHBondContact O-N 2.92Å; A734-R737 WeakPolarHBondContact O-CB 3.23Å; A734-R737 PolarHBondContact O-N 2.97Å; R737-G739 VanDerWaalsContact C-N 3.31Å
738	L	87.8	Confident	93	Very high	45 Å²	45	26.3 Å²	26.3	24%	0.236	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.5	172.9	-173	57.7	0	0	0	113.9	F634 L635 L636 A734 L735 S736 R740	F634-L738 HydrophobicContact CD2-CD2 4.11Å; F634-L738 HydrophobicContact CE2-CB 4.49Å; F634-L738 HydrophobicContact CE2-CD2 3.84Å; F634-L738 HydrophobicContact CZ-CB 4.49Å; F634-L738 HydrophobicContact CZ-CD2 4.49Å; L635-L738 WeakPolarHBondContact O-CD1 3.34Å; L636-L738 HydrophobicContact CD2-CB 4.48Å; A734-L738 PolarHBondContact O-N 2.91Å; A734-L738 VanDerWaalsContact O-N 3.08Å; L735-L738 HydrophobicContact CD2-CD2 4.48Å; L735-L738 PolarHBondContact O-N 3Å; S736-L738 VanDerWaalsContact C-N 3.25Å; S736-L738 PolarHBondContact O-N 3.48Å; L738-R740 HydrophobicContact CD2-CG 4.09Å; L738-R740 HydrophobicContact CG-CG 4.18Å
739	G	87.6	Confident	92.9	Very high	58 Å²	58	26.4 Å²	26.4	60%	0.598	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	20.4	-175.4	0	0	0	0	0	114.7	L735 S736 R737	L735-G739 PolarHBondContact O-N 3.5Å; L735-G739 VanDerWaalsContact O-N 3.08Å; S736-G739 PolarHBondContact O-N 2.94Å; R737-G739 VanDerWaalsContact C-N 3.31Å
740	R	89.1	Confident	92.8	Very high	114 Å²	114	26.4 Å²	26.4	43%	0.43	14%	0.139	S	C	.	.	S	Bend	trans	-87.7	-33.3	172.3	-74.5	-153.8	175.8	-168.6	6.5	113.4	E632 L735 L738	E632-R740 IonicContact OE1-CZ 2.73Å; E632-R740 IonicContact OE1-NH1 2.9Å; E632-R740 PolarHBondContact OE1-NH1 3.37Å; E632-R740 IonicContact OE1-NH2 2.88Å; E632-R740 PolarHBondContact OE1-NH2 3.06Å; E632-R740 IonicContact OE2-CZ 2.81Å; E632-R740 IonicContact OE2-NH2 3.9Å; E632-R740 PolarHBondContact OE2-NH2 2.88Å; L735-R740 HydrophobicContact CD2-CB 4.24Å; L735-R740 PolarHBondContact O-N 3.49Å; L738-R740 HydrophobicContact CD2-CG 4.09Å; L738-R740 HydrophobicContact CG-CG 4.18Å
741	V	92.1	Very high	92.6	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.036	16%	0.155	C	C	.	.	S	Bend	trans	-109.1	121.8	176.5	171.6	0	0	0	0	107.9	T732 L735 S736 Q745 V746	T732-V741 HydrophobicContact CG2-CG1 3.91Å; L735-V741 HydrophobicContact CB-CB 3.95Å; L735-V741 HydrophobicContact CB-CG2 3.57Å; L735-V741 HydrophobicContact CD1-CG2 4.09Å; L735-V741 HydrophobicContact CG-CG2 4.44Å; L735-V741 PolarHBondContact O-N 3.31Å; S736-V741 VanDerWaalsContact CA-O 3.24Å; S736-V741 WeakPolarHBondContact CA-O 3.31Å; S736-V741 WeakPolarHBondContact CB-O 3.49Å; S736-V741 PolarHBondContact OG-O 3.2Å; V741-Q745 HydrophobicContact CG1-CB 3.7Å; V741-Q745 HydrophobicContact CG1-CG 3.84Å; V741-V746 HydrophobicContact CG1-CG2 4.41Å
742	P	90.4	Very high	92.4	Very high	63 Å²	63	28.8 Å²	28.8	41%	0.409	16%	0.156	S	C	.	.			trans	-65.5	150.5	178.2	28.8	-34.1	0	0	0	110.4	E744 Q745 V746	P742-E744 PolarHBondContact O-N 2.61Å; P742-Q745 HydrophobicContact CG-CB 3.98Å; P742-Q745 WeakPolarHBondContact O-CB 3.43Å; P742-Q745 PolarHBondContact O-N 3.3Å; P742-V746 PolarHBondContact O-N 2.58Å
743	F	89.8	Confident	92.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-31.1	-176.8	-170.8	-106.8	0	0	0	112.4	F733 Q745 V746 C747 I772 M788 W1010 M1018	F733-F743 HydrophobicContact CE1-CE2 4.42Å; F743-Q745 PolarHBondContact O-N 3.41Å; F743-V746 HydrophobicContact CD2-CB 4.23Å; F743-V746 HydrophobicContact CD2-CG2 4.12Å; F743-V746 HydrophobicContact CE2-CB 4.4Å; F743-V746 WeakPolarHBondContact O-CA 3.33Å; F743-V746 VanDerWaalsContact O-CB 3.28Å; F743-V746 WeakPolarHBondContact O-CB 3.47Å; F743-V746 PolarHBondContact O-N 3.23Å; F743-C747 WeakPolarHBondContact CE1-SG 3.3Å; F743-C747 PolarHBondContact O-N 3.36Å; F743-I772 HydrophobicContact CE2-CD1 3.52Å; F743-I772 HydrophobicContact CZ-CD1 3.99Å; F743-M788 HydrophobicContact CE1-CE 4.46Å; F743-M788 HydrophobicContact CZ-CE 4.13Å; F743-W1010 HydrophobicContact CD2-CZ2 4.07Å; F743-W1010 HydrophobicContact CE2-CZ2 4.27Å; F743-M1018 HydrophobicContact CD1-CG 3.57Å; F743-M1018 HydrophobicContact CD1-SD 4.48Å; F743-M1018 HydrophobicContact CE1-CG 3.61Å; F743-M1018 HydrophobicContact CE1-SD 4.15Å; F743-M1018 HydrophobicContact CG-CG 4.35Å; F743-M1018 HydrophobicContact CZ-CG 4.44Å; F743-M1018 HydrophobicContact CZ-SD 4.43Å
744	E	90.1	Very high	92.4	Very high	73 Å²	73	32 Å²	32	34%	0.341	18%	0.177	S	C	.	.	H	α-helix	trans	-57.6	-35.1	172.4	-62.3	93.3	147.4	0	0	112.7	P742 C747 H748 F1021	P742-E744 PolarHBondContact O-N 2.61Å; E744-C747 PolarHBondContact O-N 2.81Å; E744-H748 WeakPolarHBondContact O-CB 3.44Å; E744-H748 PolarHBondContact O-N 3.46Å; E744-F1021 HydrophobicContact CG-CD2 4.4Å
745	Q	91.3	Very high	92.3	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-73.3	-29.5	175.3	-174	68.3	30.5	0	0	111.9	N707 V741 P742 F743 M749	N707-Q745 PolarHBondContact OD1-NE2 2.71Å; V741-Q745 HydrophobicContact CG1-CB 3.7Å; V741-Q745 HydrophobicContact CG1-CG 3.84Å; P742-Q745 HydrophobicContact CG-CB 3.98Å; P742-Q745 WeakPolarHBondContact O-CB 3.43Å; P742-Q745 PolarHBondContact O-N 3.3Å; F743-Q745 PolarHBondContact O-N 3.41Å; Q745-M749 WeakPolarHBondContact O-CB 3.45Å; Q745-M749 PolarHBondContact O-N 2.93Å
746	V	93.4	Very high	92.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-50.2	171.8	-171.6	0	0	0	0	109.4	T732 F733 S736 V741 P742 F743 H748 M749 L750	T732-V746 HydrophobicContact CG2-CB 4.32Å; T732-V746 HydrophobicContact CG2-CG1 4.47Å; T732-V746 HydrophobicContact CG2-CG2 4.08Å; F733-V746 HydrophobicContact CD1-CG1 3.81Å; F733-V746 HydrophobicContact CD2-CG1 3.96Å; F733-V746 HydrophobicContact CE1-CG1 3.58Å; F733-V746 HydrophobicContact CE2-CG1 3.73Å; F733-V746 HydrophobicContact CG-CG1 4.01Å; F733-V746 HydrophobicContact CZ-CG1 3.54Å; S736-V746 VanDerWaalsContact CB-CG2 3.47Å; V741-V746 HydrophobicContact CG1-CG2 4.41Å; P742-V746 PolarHBondContact O-N 2.58Å; F743-V746 HydrophobicContact CD2-CB 4.23Å; F743-V746 HydrophobicContact CD2-CG2 4.12Å; F743-V746 HydrophobicContact CE2-CB 4.4Å; F743-V746 WeakPolarHBondContact O-CA 3.33Å; F743-V746 VanDerWaalsContact O-CB 3.28Å; F743-V746 WeakPolarHBondContact O-CB 3.47Å; F743-V746 PolarHBondContact O-N 3.23Å; V746-H748 VanDerWaalsContact C-N 3.33Å; V746-H748 PolarHBondContact O-N 2.95Å; V746-M749 PolarHBondContact O-N 2.83Å; V746-L750 HydrophobicContact CG1-CD1 4.43Å; V746-L750 WeakPolarHBondContact O-CG 3.29Å; V746-L750 PolarHBondContact O-N 3.38Å
747	C	92.2	Very high	92.5	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-33.3	178.7	-64.8	0	0	0	0	113.1	F743 E744 L750 S751 Y791 F1021	F743-C747 WeakPolarHBondContact CE1-SG 3.3Å; F743-C747 PolarHBondContact O-N 3.36Å; E744-C747 PolarHBondContact O-N 2.81Å; C747-L750 PolarHBondContact O-N 3.49Å; C747-S751 PolarHBondContact O-N 3.06Å; C747-Y791 PolarHBondContact O-OH 3.41Å; C747-F1021 HydrophobicContact CB-CD1 4.04Å; C747-F1021 HydrophobicContact CB-CD2 4.44Å; C747-F1021 HydrophobicContact CB-CE1 3.37Å; C747-F1021 HydrophobicContact CB-CE2 3.82Å; C747-F1021 HydrophobicContact CB-CZ 3.25Å
748	H	92.3	Very high	92.7	Very high	71 Å²	71	41.9 Å²	41.9	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-46.7	170.2	-176.8	-119.7	0	0	0	111.1	H710 E744 V746 L750 S751	H710-H748 AromaticContact CD2-CE1 3.72Å; H710-H748 AromaticContact CD2-ND1 3.88Å; H710-H748 AromaticContact CD2-NE2 3.95Å; H710-H748 PolarHBondContact CD2-O 3.43Å; H710-H748 AromaticContact CE1-CE1 3.52Å; H710-H748 AromaticContact CE1-NE2 3.29Å; H710-H748 PolarHBondContact CE1-NE2 3.27Å; H710-H748 VanDerWaalsContact CE1-NE2 3.29Å; H710-H748 AromaticContact CG-CE1 3.53Å; H710-H748 AromaticContact CG-ND1 3.92Å; H710-H748 AromaticContact ND1-CE1 3.4Å; H710-H748 PolarHBondContact ND1-CE1 3.21Å; H710-H748 AromaticContact ND1-NE2 3.68Å; H710-H748 AromaticContact NE2-CD2 3.73Å; H710-H748 AromaticContact NE2-CE1 3.71Å; H710-H748 AromaticContact NE2-NE2 3.46Å; H710-H748 PolarHBondContact NE2-NE2 3.15Å; H710-H748 PolarHBondContact NE2-O 2.98Å; E744-H748 WeakPolarHBondContact O-CB 3.44Å; E744-H748 PolarHBondContact O-N 3.46Å; V746-H748 VanDerWaalsContact C-N 3.33Å; V746-H748 PolarHBondContact O-N 2.95Å; H748-L750 PolarHBondContact O-N 3Å; H748-S751 WeakPolarHBondContact O-CB 3.32Å; H748-S751 PolarHBondContact O-N 3.38Å; H748-S751 VanDerWaalsContact O-N 3.08Å; H748-S751 PolarHBondContact O-OG 2.96Å
749	M	94.8	Very high	93	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-32.4	176.3	-172.3	57.7	59.9	0	0	112.6	W706 I709 H710 V728 T732 Q745 V746 S751 F752	W706-M749 HydrophobicContact CB-CE 4.33Å; W706-M749 HydrophobicContact CE3-CE 3.74Å; W706-M749 HydrophobicContact CZ3-CE 4.49Å; W706-M749 VanDerWaalsContact O-CE 3.32Å; W706-M749 WeakPolarHBondContact O-CE 3.31Å; I709-M749 HydrophobicContact CG2-SD 4.46Å; H710-M749 HydrophobicContact CB-CE 3.98Å; H710-M749 HydrophobicContact CB-SD 4.3Å; V728-M749 HydrophobicContact CG1-CE 4.37Å; V728-M749 HydrophobicContact CG1-CG 3.86Å; V728-M749 HydrophobicContact CG1-SD 3.54Å; V728-M749 VanDerWaalsContact CG1-SD 3.54Å; T732-M749 HydrophobicContact CG2-CB 4.26Å; Q745-M749 WeakPolarHBondContact O-CB 3.45Å; Q745-M749 PolarHBondContact O-N 2.93Å; V746-M749 PolarHBondContact O-N 2.83Å; M749-S751 PolarHBondContact O-N 3.2Å; M749-F752 WeakPolarHBondContact O-CD1 3.34Å; M749-F752 WeakPolarHBondContact O-CE1 3.46Å; M749-F752 HydrophobicContact SD-CE1 4.43Å
750	L	95.4	Very high	93.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-78.1	0.9	176.8	-67.6	174.3	0	0	0	114.5	I729 F733 V746 C747 H748 F752 M753 A765 L769 Q795	I729-L750 HydrophobicContact CG1-CD2 4.26Å; I729-L750 HydrophobicContact CG2-CD2 4.25Å; F733-L750 HydrophobicContact CE2-CD1 4.01Å; F733-L750 HydrophobicContact CE2-CD2 4.45Å; F733-L750 HydrophobicContact CZ-CD1 3.86Å; V746-L750 HydrophobicContact CG1-CD1 4.43Å; V746-L750 WeakPolarHBondContact O-CG 3.29Å; V746-L750 PolarHBondContact O-N 3.38Å; C747-L750 PolarHBondContact O-N 3.49Å; H748-L750 PolarHBondContact O-N 3Å; L750-F752 PolarHBondContact O-N 3.14Å; L750-F752 VanDerWaalsContact O-N 3.13Å; L750-M753 HydrophobicContact CB-CG 4.11Å; L750-M753 HydrophobicContact CD2-CG 3.75Å; L750-M753 HydrophobicContact CD2-SD 4.14Å; L750-M753 WeakPolarHBondContact O-CB 3.26Å; L750-M753 VanDerWaalsContact O-CG 3.25Å; L750-M753 WeakPolarHBondContact O-CG 3.4Å; L750-M753 PolarHBondContact O-N 3.49Å; L750-M753 VanDerWaalsContact O-N 3.09Å; L750-A765 HydrophobicContact CD2-CB 4.01Å; L750-L769 HydrophobicContact CD1-CD1 4.13Å; L750-L769 HydrophobicContact CD1-CD2 4.15Å; L750-L769 HydrophobicContact CD1-CG 4.39Å; L750-Q795 PolarHBondContact O-OE1 3.13Å
751	S	94.1	Very high	93.8	Very high	49 Å²	49	32 Å²	32	34%	0.343	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-58.7	-25.9	-179.3	68.8	0	0	0	0	114.2	H710 C747 H748 M749 P754	H710-S751 PolarHBondContact CD2-OG 2.95Å; H710-S751 VanDerWaalsContact CD2-OG 3.29Å; H710-S751 PolarHBondContact NE2-OG 3.15Å; C747-S751 PolarHBondContact O-N 3.06Å; H748-S751 WeakPolarHBondContact O-CB 3.32Å; H748-S751 PolarHBondContact O-N 3.38Å; H748-S751 VanDerWaalsContact O-N 3.08Å; H748-S751 PolarHBondContact O-OG 2.96Å; M749-S751 PolarHBondContact O-N 3.2Å; S751-P754 VanDerWaalsContact O-CD 3.3Å; S751-P754 WeakPolarHBondContact O-CD 3.42Å
752	F	94.3	Very high	94.1	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-81.5	-12.8	-179.9	73.5	-101	0	0	0	113.6	L713 I717 I729 M749 L750 P754 N755 E756	L713-F752 HydrophobicContact CB-CB 4.48Å; L713-F752 HydrophobicContact CB-CD1 3.97Å; L713-F752 HydrophobicContact CB-CE1 4.46Å; L713-F752 HydrophobicContact CB-CG 4.21Å; L713-F752 HydrophobicContact CD1-CD1 3.96Å; L713-F752 HydrophobicContact CD1-CE1 3.6Å; L713-F752 HydrophobicContact CD1-CZ 4.06Å; I717-F752 HydrophobicContact CD1-CD2 3.57Å; I717-F752 HydrophobicContact CD1-CE2 3.99Å; I717-F752 HydrophobicContact CG1-CD2 4.03Å; I717-F752 HydrophobicContact CG1-CE2 4.38Å; I729-F752 HydrophobicContact CD1-CZ 4.13Å; I729-F752 HydrophobicContact CG1-CZ 4.34Å; M749-F752 WeakPolarHBondContact O-CD1 3.34Å; M749-F752 WeakPolarHBondContact O-CE1 3.46Å; M749-F752 HydrophobicContact SD-CE1 4.43Å; L750-F752 PolarHBondContact O-N 3.14Å; L750-F752 VanDerWaalsContact O-N 3.13Å; F752-P754 VanDerWaalsContact C-N 3.33Å; F752-N755 PolarHBondContact O-N 3.03Å; F752-E756 HydrophobicContact CD2-CB 4.49Å
753	M	95.6	Very high	94.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30.5	-174.4	-64.4	-50.8	-62.3	0	0	115.5	I729 L750 N755 E756 V762 A765 Q795 F796	I729-M753 HydrophobicContact CD1-CE 4.41Å; I729-M753 HydrophobicContact CD1-SD 3.91Å; L750-M753 HydrophobicContact CB-CG 4.11Å; L750-M753 HydrophobicContact CD2-CG 3.75Å; L750-M753 HydrophobicContact CD2-SD 4.14Å; L750-M753 WeakPolarHBondContact O-CB 3.26Å; L750-M753 VanDerWaalsContact O-CG 3.25Å; L750-M753 WeakPolarHBondContact O-CG 3.4Å; L750-M753 PolarHBondContact O-N 3.49Å; L750-M753 VanDerWaalsContact O-N 3.09Å; M753-N755 PolarHBondContact O-N 2.97Å; M753-N755 VanDerWaalsContact O-N 3.13Å; M753-E756 HydrophobicContact CE-CB 3.95Å; M753-E756 HydrophobicContact CE-CG 3.84Å; M753-E756 WeakPolarHBondContact O-CB 3.32Å; M753-E756 PolarHBondContact O-N 2.92Å; M753-E756 HydrophobicContact SD-CB 4.35Å; M753-V762 HydrophobicContact CE-CG2 4.07Å; M753-A765 HydrophobicContact CE-CB 3.94Å; M753-A765 HydrophobicContact SD-CB 4.48Å; M753-Q795 HydrophobicContact CB-CB 4.39Å; M753-F796 HydrophobicContact CB-CE1 4.13Å; M753-F796 HydrophobicContact CB-CZ 4.1Å; M753-F796 HydrophobicContact CE-CE1 3.54Å; M753-F796 HydrophobicContact CE-CZ 3.88Å; M753-F796 HydrophobicContact CG-CE1 4.4Å; M753-F796 HydrophobicContact CG-CZ 4.08Å
754	P	95.5	Very high	94.7	Very high	71 Å²	71	30 Å²	30	46%	0.461	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60.4	-19.7	173	-25.8	36.2	0	0	0	114.7	S751 F752	S751-P754 VanDerWaalsContact O-CD 3.3Å; S751-P754 WeakPolarHBondContact O-CD 3.42Å; F752-P754 VanDerWaalsContact C-N 3.33Å
755	N	94.3	Very high	95.1	Very high	115 Å²	115	26.5 Å²	26.5	62%	0.615	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-102.1	0.5	176.7	-63.1	-30.5	0	0	0	112.9	F752 M753	F752-N755 PolarHBondContact O-N 3.03Å; M753-N755 PolarHBondContact O-N 2.97Å; M753-N755 VanDerWaalsContact O-N 3.13Å
756	E	96.1	Very high	95.4	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	15%	0.146	C	C	.	.			trans	-87.2	138.6	-179	-178.8	61.7	-88.2	0	0	111.6	I717 R725 F752 M753 E758 P761 V762	I717-E756 HydrophobicContact CD1-CB 3.68Å; I717-E756 VanDerWaalsContact CD1-CD 3.49Å; I717-E756 HydrophobicContact CD1-CG 4.16Å; I717-E756 WeakPolarHBondContact CD1-OE2 3.09Å; R725-E756 IonicContact CZ-OE1 3.18Å; R725-E756 IonicContact CZ-OE2 3.66Å; R725-E756 VanDerWaalsContact CZ-OE2 3.25Å; R725-E756 IonicContact NE-OE1 2.65Å; R725-E756 IonicContact NE-OE2 2.71Å; R725-E756 PolarHBondContact NE-OE2 3.01Å; R725-E756 IonicContact NH2-OE1 2.74Å; R725-E756 PolarHBondContact NH2-OE1 3.36Å; R725-E756 IonicContact NH2-OE2 2.58Å; R725-E756 PolarHBondContact NH2-OE2 3.35Å; F752-E756 HydrophobicContact CD2-CB 4.49Å; M753-E756 HydrophobicContact CE-CB 3.95Å; M753-E756 HydrophobicContact CE-CG 3.84Å; M753-E756 WeakPolarHBondContact O-CB 3.32Å; M753-E756 PolarHBondContact O-N 2.92Å; M753-E756 HydrophobicContact SD-CB 4.35Å; E756-E758 WeakPolarHBondContact OE1-CB 3.33Å; E756-E758 PolarHBondContact OE1-N 2.9Å; E756-P761 HydrophobicContact CG-CB 4.17Å; E756-P761 HydrophobicContact CG-CG 3.83Å; E756-P761 WeakPolarHBondContact OE2-CB 3.48Å; E756-P761 WeakPolarHBondContact OE2-CG 3.41Å; E756-V762 HydrophobicContact CB-CG2 4.34Å; E756-V762 HydrophobicContact CG-CG2 3.6Å
757	T	95.3	Very high	95.5	Very high	86 Å²	86	30.1 Å²	30.1	53%	0.528	17%	0.167	S	C	.	.			trans	-133.3	-8.4	178.9	60	0	0	0	0	113.8	L799 L816	T757-L799 HydrophobicContact CG2-CD1 4.35Å; T757-L816 VanDerWaalsContact O-CD2 3.23Å; T757-L816 WeakPolarHBondContact O-CD2 3.33Å
758	E	95.3	Very high	95.7	Very high	94 Å²	94	30.6 Å²	30.6	44%	0.439	17%	0.169	S	C	.	.			trans	-82.3	145.5	-177.9	-65	-57.6	127.4	0	0	112.4	A722 R725 E756 P761 V762	A722-E758 HydrophobicContact CB-CB 3.8Å; A722-E758 HydrophobicContact CB-CG 4.09Å; R725-E758 VanDerWaalsContact NH2-CG 3.28Å; E756-E758 WeakPolarHBondContact OE1-CB 3.33Å; E756-E758 PolarHBondContact OE1-N 2.9Å; E758-P761 HydrophobicContact CB-CG 3.97Å; E758-P761 WeakPolarHBondContact O-CD 3.47Å; E758-P761 WeakPolarHBondContact O-CG 3.23Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 2.68Å
759	T	95.2	Very high	95.9	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-57.6	-169.4	-54.2	0	0	0	0	112.7	V762 T763 S812 E815 L816	T759-V762 PolarHBondContact O-N 2.63Å; T759-T763 HydrophobicContact CG2-CG2 4Å; T759-T763 WeakPolarHBondContact O-CG2 3.28Å; T759-T763 PolarHBondContact O-N 3.18Å; T759-T763 PolarHBondContact O-OG1 3.37Å; T759-S812 PolarHBondContact OG1-O 2.98Å; T759-S812 VanDerWaalsContact OG1-O 3.07Å; T759-E815 HydrophobicContact CG2-CB 3.92Å; T759-E815 HydrophobicContact CG2-CG 3.82Å; T759-L816 HydrophobicContact CG2-CB 4.11Å
760	A	95.7	Very high	96	Very high	3 Å²	3	29 Å²	29	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-55.4	-50.2	-174.8	0	0	0	0	0	115.5	L510 A726 T763 E764	L510-A760 HydrophobicContact CD2-CB 3.96Å; A726-A760 HydrophobicContact CB-CB 3.99Å; A760-T763 PolarHBondContact O-OG1 3.46Å; A760-E764 VanDerWaalsContact O-CB 3.31Å; A760-E764 WeakPolarHBondContact O-CB 3.31Å; A760-E764 PolarHBondContact O-N 2.95Å; A760-E764 VanDerWaalsContact O-N 3.11Å
761	P	97.1	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-35.9	179.6	23	-32.1	0	0	0	112.9	R725 A726 I729 E756 E758 A765	R725-P761 HydrophobicContact CB-CB 4.1Å; R725-P761 HydrophobicContact CB-CG 4.48Å; A726-P761 HydrophobicContact CB-CB 4.45Å; I729-P761 HydrophobicContact CD1-CB 3.75Å; I729-P761 WeakPolarHBondContact CD1-O 3.38Å; E756-P761 HydrophobicContact CG-CB 4.17Å; E756-P761 HydrophobicContact CG-CG 3.83Å; E756-P761 WeakPolarHBondContact OE2-CB 3.48Å; E756-P761 WeakPolarHBondContact OE2-CG 3.41Å; E758-P761 HydrophobicContact CB-CG 3.97Å; E758-P761 WeakPolarHBondContact O-CD 3.47Å; E758-P761 WeakPolarHBondContact O-CG 3.23Å; P761-A765 WeakPolarHBondContact O-CB 3.26Å; P761-A765 PolarHBondContact O-N 3.41Å; P761-A765 VanDerWaalsContact O-N 3.1Å
762	V	97.8	Very high	96	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-47.7	176.8	177	0	0	0	0	111.2	M753 E756 E758 T759 E764 A765 L766 F796 L799 L816 L820	M753-V762 HydrophobicContact CE-CG2 4.07Å; E756-V762 HydrophobicContact CB-CG2 4.34Å; E756-V762 HydrophobicContact CG-CG2 3.6Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 2.68Å; T759-V762 PolarHBondContact O-N 2.63Å; V762-E764 PolarHBondContact O-N 3.05Å; V762-A765 PolarHBondContact O-N 2.85Å; V762-L766 HydrophobicContact CG1-CD1 3.78Å; V762-L766 HydrophobicContact CG1-CG 4.23Å; V762-L766 WeakPolarHBondContact O-CB 3.43Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.26Å; V762-L766 PolarHBondContact O-N 2.76Å; V762-F796 HydrophobicContact CG1-CD1 4.06Å; V762-F796 HydrophobicContact CG1-CE1 4Å; V762-L799 HydrophobicContact CG1-CD2 4.32Å; V762-L799 HydrophobicContact CG2-CD2 4.05Å; V762-L816 HydrophobicContact CB-CD1 3.69Å; V762-L816 HydrophobicContact CG1-CD1 3.56Å; V762-L816 HydrophobicContact CG2-CD1 4.13Å; V762-L820 HydrophobicContact CG1-CD2 3.98Å; V762-L820 HydrophobicContact CG1-CG 4.37Å
763	T	96.4	Very high	96.1	Very high	23 Å²	23	31.6 Å²	31.6	14%	0.141	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-40.7	-177.8	54.2	0	0	0	0	111.8	T759 A760 L766 L767 A819	T759-T763 HydrophobicContact CG2-CG2 4Å; T759-T763 WeakPolarHBondContact O-CG2 3.28Å; T759-T763 PolarHBondContact O-N 3.18Å; T759-T763 PolarHBondContact O-OG1 3.37Å; A760-T763 PolarHBondContact O-OG1 3.46Å; T763-L766 PolarHBondContact O-N 2.68Å; T763-L767 WeakPolarHBondContact O-CB 3.23Å; T763-L767 PolarHBondContact O-N 2.92Å; T763-A819 HydrophobicContact CG2-CB 3.85Å
764	E	97.4	Very high	96	Very high	6 Å²	6	34 Å²	34	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-47.6	174.6	179.7	55.4	-151.6	0	0	111.9	F514 I729 H730 A760 V762 L766 L767 Q768	F514-E764 HydrophobicContact CD2-CG 4.45Å; F514-E764 WeakPolarHBondContact CD2-OE2 3.46Å; F514-E764 HydrophobicContact CE2-CG 4.27Å; I729-E764 HydrophobicContact CB-CG 4.37Å; I729-E764 HydrophobicContact CG2-CG 4.01Å; H730-E764 HydrophobicContact CB-CG 4.22Å; H730-E764 IonicContact CD2-OE1 3.99Å; H730-E764 PolarHBondContact CD2-OE1 2.83Å; H730-E764 IonicContact CG-OE1 3.91Å; A760-E764 VanDerWaalsContact O-CB 3.31Å; A760-E764 WeakPolarHBondContact O-CB 3.31Å; A760-E764 PolarHBondContact O-N 2.95Å; A760-E764 VanDerWaalsContact O-N 3.11Å; V762-E764 PolarHBondContact O-N 3.05Å; E764-L766 PolarHBondContact O-N 2.93Å; E764-L767 WeakPolarHBondContact O-CB 3.48Å; E764-L767 PolarHBondContact O-N 3.41Å; E764-Q768 WeakPolarHBondContact O-CG 3.2Å; E764-Q768 PolarHBondContact O-N 2.9Å; E764-Q768 VanDerWaalsContact O-N 3.08Å; E764-Q768 VanDerWaalsContact OE1-CG 3.27Å; E764-Q768 WeakPolarHBondContact OE1-CG 3.3Å; E764-Q768 PolarHBondContact OE1-NE2 2.84Å
765	A	97.8	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-42.8	177.8	0	0	0	0	0	112.5	I729 L750 M753 P761 V762 Q768 L769 F796	I729-A765 HydrophobicContact CD1-CB 4.38Å; I729-A765 HydrophobicContact CG2-CB 4.13Å; L750-A765 HydrophobicContact CD2-CB 4.01Å; M753-A765 HydrophobicContact CE-CB 3.94Å; M753-A765 HydrophobicContact SD-CB 4.48Å; P761-A765 WeakPolarHBondContact O-CB 3.26Å; P761-A765 PolarHBondContact O-N 3.41Å; P761-A765 VanDerWaalsContact O-N 3.1Å; V762-A765 PolarHBondContact O-N 2.85Å; A765-Q768 PolarHBondContact O-N 2.93Å; A765-L769 WeakPolarHBondContact O-CB 3.4Å; A765-L769 VanDerWaalsContact O-CG 3.27Å; A765-L769 WeakPolarHBondContact O-CG 3.44Å; A765-L769 PolarHBondContact O-N 2.85Å; A765-F796 HydrophobicContact CB-CE1 4.44Å; A765-F796 HydrophobicContact CB-CZ 3.75Å
766	L	97.6	Very high	96.1	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-39.3	176.3	-69.2	175.1	0	0	0	111.9	V762 T763 E764 N770 I792 F796 M800 A819 L820 T823	V762-L766 HydrophobicContact CG1-CD1 3.78Å; V762-L766 HydrophobicContact CG1-CG 4.23Å; V762-L766 WeakPolarHBondContact O-CB 3.43Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.26Å; V762-L766 PolarHBondContact O-N 2.76Å; T763-L766 PolarHBondContact O-N 2.68Å; E764-L766 PolarHBondContact O-N 2.93Å; L766-N770 WeakPolarHBondContact O-CB 3.45Å; L766-N770 PolarHBondContact O-N 2.83Å; L766-I792 HydrophobicContact CD2-CG2 4.25Å; L766-F796 HydrophobicContact CD2-CB 4.46Å; L766-F796 HydrophobicContact CD2-CD1 4.13Å; L766-F796 HydrophobicContact CD2-CD2 3.64Å; L766-F796 HydrophobicContact CD2-CE1 4.3Å; L766-F796 HydrophobicContact CD2-CE2 3.86Å; L766-F796 HydrophobicContact CD2-CG 3.8Å; L766-F796 HydrophobicContact CD2-CZ 4.19Å; L766-F796 HydrophobicContact CG-CD1 4.48Å; L766-F796 HydrophobicContact CG-CE1 4.38Å; L766-F796 HydrophobicContact CG-CZ 4.46Å; L766-M800 HydrophobicContact CD2-CE 3.99Å; L766-A819 HydrophobicContact CD1-CB 4.41Å; L766-L820 HydrophobicContact CD1-CD2 3.98Å; L766-L820 HydrophobicContact CD1-CG 4.39Å; L766-T823 HydrophobicContact CD2-CG2 4.21Å
767	L	95.8	Very high	96	Very high	86 Å²	86	27.9 Å²	27.9	45%	0.45	15%	0.147	S	C	.	.	H	α-helix	trans	-60.4	-49.6	177.2	-176.8	75.5	0	0	0	111.6	T763 E764 S771	T763-L767 WeakPolarHBondContact O-CB 3.23Å; T763-L767 PolarHBondContact O-N 2.92Å; E764-L767 WeakPolarHBondContact O-CB 3.48Å; E764-L767 PolarHBondContact O-N 3.41Å; L767-S771 PolarHBondContact O-N 2.85Å; L767-S771 VanDerWaalsContact O-N 3.13Å; L767-S771 PolarHBondContact O-OG 3.36Å
768	Q	96.3	Very high	96	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-67.5	-45.5	-178.5	-62.6	-66.9	-13.3	0	0	111.6	F733 E764 A765 S771 I772	F733-Q768 HydrophobicContact CB-CB 4.42Å; F733-Q768 HydrophobicContact CB-CG 4.08Å; F733-Q768 HydrophobicContact CD1-CB 3.71Å; F733-Q768 HydrophobicContact CD1-CG 4.31Å; F733-Q768 HydrophobicContact CD2-CB 3.6Å; F733-Q768 HydrophobicContact CD2-CG 3.69Å; F733-Q768 HydrophobicContact CE1-CB 3.71Å; F733-Q768 HydrophobicContact CE2-CB 3.61Å; F733-Q768 HydrophobicContact CE2-CG 4.14Å; F733-Q768 HydrophobicContact CG-CB 3.65Å; F733-Q768 HydrophobicContact CG-CG 3.78Å; F733-Q768 HydrophobicContact CZ-CB 3.65Å; E764-Q768 WeakPolarHBondContact O-CG 3.2Å; E764-Q768 PolarHBondContact O-N 2.9Å; E764-Q768 VanDerWaalsContact O-N 3.08Å; E764-Q768 VanDerWaalsContact OE1-CG 3.27Å; E764-Q768 WeakPolarHBondContact OE1-CG 3.3Å; E764-Q768 PolarHBondContact OE1-NE2 2.84Å; A765-Q768 PolarHBondContact O-N 2.93Å; Q768-S771 WeakPolarHBondContact O-CB 3.48Å; Q768-S771 PolarHBondContact O-N 2.83Å; Q768-I772 PolarHBondContact O-N 3.33Å
769	L	96.8	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-40.6	178.3	-69.2	169.8	0	0	0	112.7	F733 L750 A765 S771 I772 Y773 M788 Y791 I792 F796	F733-L769 HydrophobicContact CE1-CD2 4.4Å; F733-L769 HydrophobicContact CZ-CD2 3.91Å; F733-L769 HydrophobicContact CZ-CG 4.07Å; L750-L769 HydrophobicContact CD1-CD1 4.13Å; L750-L769 HydrophobicContact CD1-CD2 4.15Å; L750-L769 HydrophobicContact CD1-CG 4.39Å; A765-L769 WeakPolarHBondContact O-CB 3.4Å; A765-L769 VanDerWaalsContact O-CG 3.27Å; A765-L769 WeakPolarHBondContact O-CG 3.44Å; A765-L769 PolarHBondContact O-N 2.85Å; L769-S771 VanDerWaalsContact C-N 3.28Å; L769-S771 PolarHBondContact O-N 3.19Å; L769-I772 PolarHBondContact O-N 3.3Å; L769-Y773 WeakPolarHBondContact O-CB 3.39Å; L769-Y773 PolarHBondContact O-N 2.79Å; L769-M788 HydrophobicContact CD2-SD 4.23Å; L769-Y791 HydrophobicContact CD1-CE1 4.48Å; L769-Y791 HydrophobicContact CD2-CD1 4.48Å; L769-Y791 HydrophobicContact CD2-CE1 4.12Å; L769-I792 HydrophobicContact CB-CD1 4.08Å; L769-I792 HydrophobicContact CB-CG1 4.07Å; L769-I792 HydrophobicContact CD1-CG1 4.2Å; L769-F796 HydrophobicContact CD1-CE2 3.77Å; L769-F796 HydrophobicContact CD1-CZ 4.45Å
770	N	95.7	Very high	95.8	Very high	39 Å²	39	28.4 Å²	28.4	21%	0.209	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-35.5	174.6	172.7	46.7	0	0	0	111.8	L766 Y773 R774	L766-N770 WeakPolarHBondContact O-CB 3.45Å; L766-N770 PolarHBondContact O-N 2.83Å; N770-Y773 PolarHBondContact O-N 3.41Å; N770-R774 PolarHBondContact ND2-NE 3.1Å; N770-R774 WeakPolarHBondContact O-CB 3.35Å; N770-R774 VanDerWaalsContact O-CG 3.27Å; N770-R774 WeakPolarHBondContact O-CG 3.31Å; N770-R774 PolarHBondContact O-N 3.15Å; N770-R774 PolarHBondContact OD1-NE 3.17Å
771	S	94.1	Very high	95.8	Very high	54 Å²	54	30.1 Å²	30.1	38%	0.378	15%	0.147	S	C	.	.	H	α-helix	trans	-63.4	-41.5	175.5	-59.5	0	0	0	0	111.7	L767 Q768 L769 L775	L767-S771 PolarHBondContact O-N 2.85Å; L767-S771 VanDerWaalsContact O-N 3.13Å; L767-S771 PolarHBondContact O-OG 3.36Å; Q768-S771 WeakPolarHBondContact O-CB 3.48Å; Q768-S771 PolarHBondContact O-N 2.83Å; L769-S771 VanDerWaalsContact C-N 3.28Å; L769-S771 PolarHBondContact O-N 3.19Å; S771-L775 WeakPolarHBondContact O-CG 3.22Å; S771-L775 PolarHBondContact O-N 3.09Å
772	I	95.3	Very high	95.6	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	18%	0.176	C	C	.	.	H	α-helix	trans	-68.6	-45.9	174.6	-62.8	172	0	0	0	111.3	F733 F743 Q768 L769 R774 L775 L776 M788 W1010 M1018	F733-I772 HydrophobicContact CD1-CD1 4.34Å; F733-I772 HydrophobicContact CE1-CD1 3.8Å; F743-I772 HydrophobicContact CE2-CD1 3.52Å; F743-I772 HydrophobicContact CZ-CD1 3.99Å; Q768-I772 PolarHBondContact O-N 3.33Å; L769-I772 PolarHBondContact O-N 3.3Å; I772-R774 VanDerWaalsContact C-N 3.28Å; I772-R774 PolarHBondContact O-N 3.38Å; I772-L775 PolarHBondContact O-N 3.08Å; I772-L775 VanDerWaalsContact O-N 3.07Å; I772-L776 HydrophobicContact CG2-CD1 4.15Å; I772-L776 HydrophobicContact CG2-CG 4.45Å; I772-L776 WeakPolarHBondContact O-CG 3.24Å; I772-L776 PolarHBondContact O-N 3.35Å; I772-M788 HydrophobicContact CG2-CE 3.8Å; I772-W1010 HydrophobicContact CB-CH2 4.27Å; I772-W1010 HydrophobicContact CD1-CH2 3.75Å; I772-W1010 HydrophobicContact CD1-CZ2 3.86Å; I772-W1010 HydrophobicContact CG1-CH2 3.72Å; I772-W1010 HydrophobicContact CG1-CZ2 4.15Å; I772-W1010 HydrophobicContact CG1-CZ3 4.29Å; I772-W1010 HydrophobicContact CG2-CH2 3.6Å; I772-W1010 HydrophobicContact CG2-CZ3 3.96Å; I772-M1018 HydrophobicContact CG2-SD 3.9Å
773	Y	96.1	Very high	95.5	Very high	44 Å²	44	38.9 Å²	38.9	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-53.9	-44.8	176.9	169.4	-102.3	0	0	0	111.8	L769 N770 L775 L776 D777 A785 M788 K789 L827	L769-Y773 WeakPolarHBondContact O-CB 3.39Å; L769-Y773 PolarHBondContact O-N 2.79Å; N770-Y773 PolarHBondContact O-N 3.41Å; Y773-L775 PolarHBondContact O-N 3.5Å; Y773-L776 WeakPolarHBondContact O-CB 3.48Å; Y773-L776 PolarHBondContact O-N 3.02Å; Y773-D777 WeakPolarHBondContact O-CB 3.42Å; Y773-D777 PolarHBondContact O-N 2.8Å; Y773-A785 HydrophobicContact CD2-CB 4.41Å; Y773-A785 HydrophobicContact CE2-CB 4.13Å; Y773-A785 WeakPolarHBondContact CE2-O 3.29Å; Y773-M788 HydrophobicContact CD2-CG 4.45Å; Y773-K789 HydrophobicContact CE2-CB 4.46Å; Y773-L827 HydrophobicContact CD1-CD2 4.07Å; Y773-L827 HydrophobicContact CD2-CD2 4.16Å; Y773-L827 HydrophobicContact CE1-CD2 3.84Å; Y773-L827 HydrophobicContact CE2-CD2 3.94Å; Y773-L827 HydrophobicContact CG-CD2 4.24Å
774	R	94.8	Very high	95.5	Very high	53 Å²	53	37.8 Å²	37.8	20%	0.2	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-40.1	175.7	-72.8	169.4	-177.3	-157.2	-9.5	113	N770 I772 L776 D777 K778 H930	N770-R774 PolarHBondContact ND2-NE 3.1Å; N770-R774 WeakPolarHBondContact O-CB 3.35Å; N770-R774 VanDerWaalsContact O-CG 3.27Å; N770-R774 WeakPolarHBondContact O-CG 3.31Å; N770-R774 PolarHBondContact O-N 3.15Å; N770-R774 PolarHBondContact OD1-NE 3.17Å; I772-R774 VanDerWaalsContact C-N 3.28Å; I772-R774 PolarHBondContact O-N 3.38Å; R774-L776 VanDerWaalsContact C-N 3.34Å; R774-D777 PolarHBondContact O-N 2.8Å; R774-K778 VanDerWaalsContact O-CG 3.31Å; R774-K778 WeakPolarHBondContact O-CG 3.4Å; R774-K778 PolarHBondContact O-N 3.16Å; R774-H930 PolarHBondContact NH1-CD2 3.2Å; R774-H930 PolarHBondContact NH1-NE2 2.92Å; R774-H930 PolarHBondContact NH2-CD2 3.38Å; R774-H930 VanDerWaalsContact NH2-CG 3.34Å; R774-H930 PolarHBondContact NH2-NE2 3.27Å
775	L	95.4	Very high	95.4	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-37.6	175.8	-70.9	176.6	0	0	0	112.2	S771 I772 Y773 R779 N1007 W1010 M1011	S771-L775 WeakPolarHBondContact O-CG 3.22Å; S771-L775 PolarHBondContact O-N 3.09Å; I772-L775 PolarHBondContact O-N 3.08Å; I772-L775 VanDerWaalsContact O-N 3.07Å; Y773-L775 PolarHBondContact O-N 3.5Å; L775-R779 VanDerWaalsContact O-CB 3.23Å; L775-R779 WeakPolarHBondContact O-CB 3.33Å; L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 3.19Å; L775-N1007 HydrophobicContact CD2-CB 4.15Å; L775-W1010 HydrophobicContact CD1-CE3 4.4Å; L775-M1011 HydrophobicContact CB-SD 3.94Å
776	L	96.1	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-46.8	174	-65.6	169.4	0	0	0	111.4	I772 Y773 R774 R779 Q780 E781 L784 A785 M788 M1011 M1018	I772-L776 HydrophobicContact CG2-CD1 4.15Å; I772-L776 HydrophobicContact CG2-CG 4.45Å; I772-L776 WeakPolarHBondContact O-CG 3.24Å; I772-L776 PolarHBondContact O-N 3.35Å; Y773-L776 WeakPolarHBondContact O-CB 3.48Å; Y773-L776 PolarHBondContact O-N 3.02Å; R774-L776 VanDerWaalsContact C-N 3.34Å; L776-R779 CarbonylContact O-C 3.16Å; L776-R779 PolarHBondContact O-N 2.98Å; L776-Q780 PolarHBondContact O-N 2.97Å; L776-E781 HydrophobicContact CD2-CB 4.23Å; L776-E781 PolarHBondContact O-N 2.64Å; L776-L784 HydrophobicContact CD1-CB 4.23Å; L776-L784 HydrophobicContact CD2-CB 3.88Å; L776-L784 HydrophobicContact CD2-CD1 3.89Å; L776-A785 HydrophobicContact CB-CB 4.03Å; L776-M788 HydrophobicContact CD1-CB 3.91Å; L776-M788 HydrophobicContact CD1-CE 4.46Å; L776-M788 HydrophobicContact CD1-CG 4.25Å; L776-M1011 HydrophobicContact CD2-CE 3.85Å; L776-M1018 HydrophobicContact CD2-CE 4.04Å
777	D	94.5	Very high	95.3	Very high	44 Å²	44	43.8 Å²	43.8	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-50.7	176.6	178.6	61.6	0	0	0	112.1	Y773 R774 R779 Q780	Y773-D777 WeakPolarHBondContact O-CB 3.42Å; Y773-D777 PolarHBondContact O-N 2.8Å; R774-D777 PolarHBondContact O-N 2.8Å; D777-R779 PolarHBondContact O-N 3.19Å; D777-Q780 PolarHBondContact O-N 2.95Å
778	K	94.5	Very high	95.3	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-16	-179.4	-57.2	-22.9	175.7	-163.1	0	112.8	R774 H930 G931 F932 Y935 Q970	R774-K778 VanDerWaalsContact O-CG 3.31Å; R774-K778 WeakPolarHBondContact O-CG 3.4Å; R774-K778 PolarHBondContact O-N 3.16Å; K778-H930 PolarHBondContact NZ-O 2.99Å; K778-G931 PolarHBondContact NZ-O 3.49Å; K778-G931 VanDerWaalsContact NZ-O 3.1Å; K778-F932 HydrophobicContact CD-CD2 4.29Å; K778-Y935 HydrophobicContact CB-CE1 4.36Å; K778-Y935 HydrophobicContact CB-CE2 4.33Å; K778-Y935 HydrophobicContact CD-CD1 3.6Å; K778-Y935 HydrophobicContact CD-CE1 3.68Å; K778-Y935 HydrophobicContact CD-CG 4.15Å; K778-Y935 HydrophobicContact CG-CD1 4.17Å; K778-Y935 HydrophobicContact CG-CD2 4.41Å; K778-Y935 HydrophobicContact CG-CE1 4.17Å; K778-Y935 HydrophobicContact CG-CE2 4.4Å; K778-Y935 HydrophobicContact CG-CG 4.31Å; K778-Q970 VanDerWaalsContact CE-OE1 3.31Å; K778-Q970 HydrophobicContact CG-CB 4.2Å
779	R	93.3	Very high	95.4	Very high	65 Å²	65	41.8 Å²	41.8	25%	0.245	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.2	170.9	-76.3	-76.5	-62.3	-99.4	-13	113.6	L775 L776 D777 E781 S972 M1011	L775-R779 VanDerWaalsContact O-CB 3.23Å; L775-R779 WeakPolarHBondContact O-CB 3.33Å; L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 3.19Å; L776-R779 CarbonylContact O-C 3.16Å; L776-R779 PolarHBondContact O-N 2.98Å; D777-R779 PolarHBondContact O-N 3.19Å; R779-E781 HydrophobicContact CB-CG 4Å; R779-E781 PolarHBondContact O-N 3.21Å; R779-S972 VanDerWaalsContact CD-OG 3.27Å; R779-S972 WeakPolarHBondContact CD-OG 3.12Å; R779-S972 WeakPolarHBondContact CG-OG 3.39Å; R779-S972 PolarHBondContact NH1-O 2.97Å; R779-M1011 HydrophobicContact CB-CE 4.07Å; R779-M1011 HydrophobicContact CG-CE 3.78Å
780	Q	93.7	Very high	95.3	Very high	123 Å²	123	46 Å²	46	58%	0.575	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	29.9	-174.9	-54.7	178.6	24.3	0	0	113	L776 D777 S782 F932	L776-Q780 PolarHBondContact O-N 2.97Å; D777-Q780 PolarHBondContact O-N 2.95Å; Q780-S782 PolarHBondContact O-N 3.02Å; Q780-F932 HydrophobicContact CG-CE2 3.85Å; Q780-F932 HydrophobicContact CG-CZ 4.11Å
781	E	95.5	Very high	95.4	Very high	40 Å²	40	45.3 Å²	45.3	19%	0.187	24%	0.236	C	C	.	.			trans	-81	57.4	172.6	-67.1	-78.6	166.5	0	0	109.1	L776 R779 D783 L784 A785 L1015 R1019	L776-E781 HydrophobicContact CD2-CB 4.23Å; L776-E781 PolarHBondContact O-N 2.64Å; R779-E781 HydrophobicContact CB-CG 4Å; R779-E781 PolarHBondContact O-N 3.21Å; E781-D783 VanDerWaalsContact C-N 3.28Å; E781-D783 PolarHBondContact O-N 3.1Å; E781-D783 VanDerWaalsContact O-N 3.16Å; E781-L784 HydrophobicContact CB-CB 4.17Å; E781-L784 HydrophobicContact CB-CD1 4.2Å; E781-L784 WeakPolarHBondContact O-CB 3.23Å; E781-L784 PolarHBondContact O-N 3.09Å; E781-A785 PolarHBondContact O-N 2.89Å; E781-L1015 HydrophobicContact CG-CD1 4.07Å; E781-R1019 IonicContact OE1-NH2 2.73Å; E781-R1019 PolarHBondContact OE1-NH2 2.89Å; E781-R1019 IonicContact OE2-CZ 3.24Å; E781-R1019 IonicContact OE2-NE 3.02Å; E781-R1019 IonicContact OE2-NH2 2.66Å; E781-R1019 PolarHBondContact OE2-NH2 2.87Å
782	S	93.7	Very high	95.5	Very high	87 Å²	87	42.9 Å²	42.9	61%	0.608	22%	0.219	S	C	*	.	H	α-helix	trans	-56.6	-37.1	-164.7	-54.8	0	0	0	0	114.1	Q780 A785 S786	Q780-S782 PolarHBondContact O-N 3.02Å; S782-A785 PolarHBondContact O-N 2.99Å; S782-S786 WeakPolarHBondContact O-CB 3.24Å; S782-S786 PolarHBondContact O-N 3.04Å
783	D	95.3	Very high	95.6	Very high	97 Å²	97	44.2 Å²	44.2	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-48.3	174.3	167.1	71.8	0	0	0	112	E781 S786 R787	E781-D783 VanDerWaalsContact C-N 3.28Å; E781-D783 PolarHBondContact O-N 3.1Å; E781-D783 VanDerWaalsContact O-N 3.16Å; D783-S786 WeakPolarHBondContact O-CB 3.18Å; D783-S786 PolarHBondContact O-N 3.25Å; D783-R787 WeakPolarHBondContact O-CG 3.34Å; D783-R787 PolarHBondContact O-N 3.02Å; D783-R787 IonicContact OD1-NE 3.97Å; D783-R787 IonicContact OD2-CZ 3.95Å; D783-R787 VanDerWaalsContact OD2-CZ 3.24Å; D783-R787 IonicContact OD2-NE 3.2Å; D783-R787 PolarHBondContact OD2-NE 3.35Å; D783-R787 IonicContact OD2-NH2 3.05Å; D783-R787 PolarHBondContact OD2-NH2 2.86Å
784	L	95.9	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175.2	-79.5	174	0	0	0	112.3	L776 E781 S786 R787 M788 L1015 M1018 R1019 L1022	L776-L784 HydrophobicContact CD1-CB 4.23Å; L776-L784 HydrophobicContact CD2-CB 3.88Å; L776-L784 HydrophobicContact CD2-CD1 3.89Å; E781-L784 HydrophobicContact CB-CB 4.17Å; E781-L784 HydrophobicContact CB-CD1 4.2Å; E781-L784 WeakPolarHBondContact O-CB 3.23Å; E781-L784 PolarHBondContact O-N 3.09Å; L784-S786 VanDerWaalsContact C-N 3.3Å; L784-S786 PolarHBondContact O-N 3.37Å; L784-R787 PolarHBondContact O-N 3.09Å; L784-M788 VanDerWaalsContact O-CB 3.25Å; L784-M788 WeakPolarHBondContact O-CB 3.4Å; L784-M788 PolarHBondContact O-N 3.23Å; L784-L1015 HydrophobicContact CD1-CD1 4.4Å; L784-L1015 HydrophobicContact CD1-CD2 4.45Å; L784-L1015 HydrophobicContact CD1-CG 3.87Å; L784-M1018 HydrophobicContact CD2-CB 4.28Å; L784-R1019 HydrophobicContact CD1-CG 3.76Å; L784-R1019 HydrophobicContact CD2-CB 4.26Å; L784-R1019 HydrophobicContact CD2-CG 3.52Å; L784-R1019 HydrophobicContact CG-CG 3.85Å; L784-L1022 HydrophobicContact CD2-CD1 4.43Å
785	A	96.1	Very high	95.6	Very high	7 Å²	7	44.4 Å²	44.4	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-39.2	175.8	0	0	0	0	0	111	Y773 L776 E781 S782 K789	Y773-A785 HydrophobicContact CD2-CB 4.41Å; Y773-A785 HydrophobicContact CE2-CB 4.13Å; Y773-A785 WeakPolarHBondContact CE2-O 3.29Å; L776-A785 HydrophobicContact CB-CB 4.03Å; E781-A785 PolarHBondContact O-N 2.89Å; S782-A785 PolarHBondContact O-N 2.99Å; A785-K789 PolarHBondContact O-N 2.82Å
786	S	96.5	Very high	95.7	Very high	67 Å²	67	43.8 Å²	43.8	47%	0.469	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-45.7	173.7	-170	0	0	0	0	112.1	S782 D783 L784 M788 K789 T790	S782-S786 WeakPolarHBondContact O-CB 3.24Å; S782-S786 PolarHBondContact O-N 3.04Å; D783-S786 WeakPolarHBondContact O-CB 3.18Å; D783-S786 PolarHBondContact O-N 3.25Å; L784-S786 VanDerWaalsContact C-N 3.3Å; L784-S786 PolarHBondContact O-N 3.37Å; S786-M788 VanDerWaalsContact C-N 3.34Å; S786-M788 PolarHBondContact O-N 3.48Å; S786-K789 WeakPolarHBondContact O-CB 3.27Å; S786-K789 PolarHBondContact O-N 3.23Å; S786-T790 PolarHBondContact O-N 2.79Å; S786-T790 PolarHBondContact O-OG1 2.85Å
787	R	96.6	Very high	95.6	Very high	64 Å²	64	44.1 Å²	44.1	24%	0.242	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-38.1	175.5	-68.9	-170.3	-87.4	164.1	-10	112.3	D783 L784 T790 Y791 R1019 L1022	D783-R787 WeakPolarHBondContact O-CG 3.34Å; D783-R787 PolarHBondContact O-N 3.02Å; D783-R787 IonicContact OD1-NE 3.97Å; D783-R787 IonicContact OD2-CZ 3.95Å; D783-R787 VanDerWaalsContact OD2-CZ 3.24Å; D783-R787 IonicContact OD2-NE 3.2Å; D783-R787 PolarHBondContact OD2-NE 3.35Å; D783-R787 IonicContact OD2-NH2 3.05Å; D783-R787 PolarHBondContact OD2-NH2 2.86Å; L784-R787 PolarHBondContact O-N 3.09Å; R787-T790 WeakPolarHBondContact O-CB 3.38Å; R787-T790 PolarHBondContact O-N 2.93Å; R787-Y791 PolarHBondContact O-N 3.04Å; R787-R1019 PolarHBondContact NH1-O 3.4Å; R787-L1022 HydrophobicContact CB-CB 3.92Å; R787-L1022 WeakPolarHBondContact CD-O 3.41Å; R787-L1022 PolarHBondContact NH1-OXT 2.97Å
788	M	96.3	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-42.1	173	-178.7	57.9	78	0	0	112	F743 L769 I772 Y773 L776 L784 S786 T790 Y791 I792 M1018 L1022	F743-M788 HydrophobicContact CE1-CE 4.46Å; F743-M788 HydrophobicContact CZ-CE 4.13Å; L769-M788 HydrophobicContact CD2-SD 4.23Å; I772-M788 HydrophobicContact CG2-CE 3.8Å; Y773-M788 HydrophobicContact CD2-CG 4.45Å; L776-M788 HydrophobicContact CD1-CB 3.91Å; L776-M788 HydrophobicContact CD1-CE 4.46Å; L776-M788 HydrophobicContact CD1-CG 4.25Å; L784-M788 VanDerWaalsContact O-CB 3.25Å; L784-M788 WeakPolarHBondContact O-CB 3.4Å; L784-M788 PolarHBondContact O-N 3.23Å; S786-M788 VanDerWaalsContact C-N 3.34Å; S786-M788 PolarHBondContact O-N 3.48Å; M788-T790 VanDerWaalsContact C-N 3.33Å; M788-T790 PolarHBondContact O-N 3.02Å; M788-Y791 PolarHBondContact O-N 2.94Å; M788-Y791 HydrophobicContact SD-CD1 4.07Å; M788-I792 HydrophobicContact CG-CD1 4.06Å; M788-I792 WeakPolarHBondContact O-CG1 3.08Å; M788-I792 PolarHBondContact O-N 2.89Å; M788-I792 HydrophobicContact SD-CD1 4.3Å; M788-I792 HydrophobicContact SD-CG1 4.28Å; M788-M1018 HydrophobicContact CE-SD 4.37Å; M788-L1022 HydrophobicContact CB-CD1 4.32Å; M788-L1022 HydrophobicContact CE-CD1 3.96Å
789	K	96.4	Very high	95.8	Very high	56 Å²	56	47.8 Å²	47.8	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-54.7	-49.4	169.7	162.7	-179.6	172	168.9	0	110.7	Y773 A785 S786 Y791 I792 L793 L827 N828	Y773-K789 HydrophobicContact CE2-CB 4.46Å; A785-K789 PolarHBondContact O-N 2.82Å; S786-K789 WeakPolarHBondContact O-CB 3.27Å; S786-K789 PolarHBondContact O-N 3.23Å; K789-Y791 VanDerWaalsContact C-N 3.33Å; K789-Y791 PolarHBondContact O-N 3.44Å; K789-I792 PolarHBondContact O-N 2.94Å; K789-L793 HydrophobicContact CG-CD1 3.92Å; K789-L793 WeakPolarHBondContact O-CG 3.48Å; K789-L793 PolarHBondContact O-N 2.86Å; K789-L827 HydrophobicContact CB-CD2 4.2Å; K789-L827 HydrophobicContact CD-CB 4.49Å; K789-L827 VanDerWaalsContact CD-O 3.25Å; K789-L827 WeakPolarHBondContact CD-O 3.2Å; K789-L827 WeakPolarHBondContact CE-O 3.43Å; K789-L827 HydrophobicContact CG-CB 4.33Å; K789-L827 HydrophobicContact CG-CD2 4.4Å; K789-L827 PolarHBondContact NZ-O 2.84Å; K789-N828 PolarHBondContact NZ-O 2.65Å
790	T	96.6	Very high	95.9	Very high	90 Å²	90	45.3 Å²	45.3	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-60.6	-41.7	178.3	-58.7	0	0	0	0	111.8	S786 R787 M788 L793 S794	S786-T790 PolarHBondContact O-N 2.79Å; S786-T790 PolarHBondContact O-OG1 2.85Å; R787-T790 WeakPolarHBondContact O-CB 3.38Å; R787-T790 PolarHBondContact O-N 2.93Å; M788-T790 VanDerWaalsContact C-N 3.33Å; M788-T790 PolarHBondContact O-N 3.02Å; T790-L793 PolarHBondContact O-N 3.31Å; T790-S794 WeakPolarHBondContact O-CB 3.24Å; T790-S794 PolarHBondContact O-N 3.26Å
791	Y	96.6	Very high	96	Very high	24 Å²	24	45.6 Å²	45.6	9%	0.094	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-48.9	175.5	176.9	-108.2	0	0	0	112.1	C747 L769 R787 M788 K789 L793 S794 Q795 F1021 L1022	C747-Y791 PolarHBondContact O-OH 3.41Å; L769-Y791 HydrophobicContact CD1-CE1 4.48Å; L769-Y791 HydrophobicContact CD2-CD1 4.48Å; L769-Y791 HydrophobicContact CD2-CE1 4.12Å; R787-Y791 PolarHBondContact O-N 3.04Å; M788-Y791 PolarHBondContact O-N 2.94Å; M788-Y791 HydrophobicContact SD-CD1 4.07Å; K789-Y791 VanDerWaalsContact C-N 3.33Å; K789-Y791 PolarHBondContact O-N 3.44Å; Y791-L793 VanDerWaalsContact C-N 3.31Å; Y791-L793 PolarHBondContact O-N 3.26Å; Y791-S794 WeakPolarHBondContact O-CB 3.48Å; Y791-S794 PolarHBondContact O-N 3.17Å; Y791-S794 PolarHBondContact O-OG 2.91Å; Y791-Q795 HydrophobicContact CD2-CG 4.29Å; Y791-Q795 HydrophobicContact CE1-CG 4.23Å; Y791-Q795 HydrophobicContact CE2-CG 3.85Å; Y791-Q795 WeakPolarHBondContact O-CG 3.3Å; Y791-Q795 PolarHBondContact O-N 3.45Å; Y791-F1021 HydrophobicContact CD2-CE1 4.46Å; Y791-F1021 HydrophobicContact CE2-CE1 4.11Å; Y791-L1022 HydrophobicContact CD1-CD2 4.35Å; Y791-L1022 HydrophobicContact CD2-CD2 4.35Å; Y791-L1022 HydrophobicContact CG-CD2 3.88Å
792	I	97.1	Very high	95.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-45.5	176.6	-64.4	163.6	0	0	0	110.4	L766 L769 M788 K789 S794 Q795 F796 M800 T823 L827	L766-I792 HydrophobicContact CD2-CG2 4.25Å; L769-I792 HydrophobicContact CB-CD1 4.08Å; L769-I792 HydrophobicContact CB-CG1 4.07Å; L769-I792 HydrophobicContact CD1-CG1 4.2Å; M788-I792 HydrophobicContact CG-CD1 4.06Å; M788-I792 WeakPolarHBondContact O-CG1 3.08Å; M788-I792 PolarHBondContact O-N 2.89Å; M788-I792 HydrophobicContact SD-CD1 4.3Å; M788-I792 HydrophobicContact SD-CG1 4.28Å; K789-I792 PolarHBondContact O-N 2.94Å; I792-S794 VanDerWaalsContact C-N 3.3Å; I792-S794 PolarHBondContact O-N 3.26Å; I792-Q795 PolarHBondContact O-N 3.08Å; I792-F796 HydrophobicContact CG2-CD2 4.04Å; I792-F796 WeakPolarHBondContact O-CD2 3.41Å; I792-F796 PolarHBondContact O-N 2.94Å; I792-M800 HydrophobicContact CG2-CE 4.43Å; I792-T823 HydrophobicContact CG2-CG2 4.38Å; I792-L827 HydrophobicContact CB-CD1 4.12Å; I792-L827 HydrophobicContact CD1-CD1 4.29Å; I792-L827 HydrophobicContact CG2-CD1 3.72Å
793	L	96.1	Very high	96	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-30.7	176.5	-67.1	173.9	0	0	0	112.7	K789 T790 Y791 G797 M800 N829	K789-L793 HydrophobicContact CG-CD1 3.92Å; K789-L793 WeakPolarHBondContact O-CG 3.48Å; K789-L793 PolarHBondContact O-N 2.86Å; T790-L793 PolarHBondContact O-N 3.31Å; Y791-L793 VanDerWaalsContact C-N 3.31Å; Y791-L793 PolarHBondContact O-N 3.26Å; L793-G797 WeakPolarHBondContact O-CA 3.43Å; L793-G797 PolarHBondContact O-N 2.88Å; L793-M800 HydrophobicContact CD2-SD 4.1Å; L793-N829 HydrophobicContact CD2-CB 4.42Å
794	S	95.4	Very high	95.9	Very high	71 Å²	71	43.5 Å²	43.5	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-68.8	-35.2	174.9	78	0	0	0	0	113.1	T790 Y791 I792	T790-S794 WeakPolarHBondContact O-CB 3.24Å; T790-S794 PolarHBondContact O-N 3.26Å; Y791-S794 WeakPolarHBondContact O-CB 3.48Å; Y791-S794 PolarHBondContact O-N 3.17Å; Y791-S794 PolarHBondContact O-OG 2.91Å; I792-S794 VanDerWaalsContact C-N 3.3Å; I792-S794 PolarHBondContact O-N 3.26Å
795	Q	95.6	Very high	95.8	Very high	31 Å²	31	45.4 Å²	45.4	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-83.1	-36.2	-178.3	-60.3	-49.4	-66	0	0	112.5	L750 M753 Y791 I792	L750-Q795 PolarHBondContact O-OE1 3.13Å; M753-Q795 HydrophobicContact CB-CB 4.39Å; Y791-Q795 HydrophobicContact CD2-CG 4.29Å; Y791-Q795 HydrophobicContact CE1-CG 4.23Å; Y791-Q795 HydrophobicContact CE2-CG 3.85Å; Y791-Q795 WeakPolarHBondContact O-CG 3.3Å; Y791-Q795 PolarHBondContact O-N 3.45Å; I792-Q795 PolarHBondContact O-N 3.08Å
796	F	97.1	Very high	95.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-116.8	-10.4	-170.6	-60	-78.7	0	0	0	114.5	M753 V762 A765 L766 L769 I792 S798 L799 M800 L820	M753-F796 HydrophobicContact CB-CE1 4.13Å; M753-F796 HydrophobicContact CB-CZ 4.1Å; M753-F796 HydrophobicContact CE-CE1 3.54Å; M753-F796 HydrophobicContact CE-CZ 3.88Å; M753-F796 HydrophobicContact CG-CE1 4.4Å; M753-F796 HydrophobicContact CG-CZ 4.08Å; V762-F796 HydrophobicContact CG1-CD1 4.06Å; V762-F796 HydrophobicContact CG1-CE1 4Å; A765-F796 HydrophobicContact CB-CE1 4.44Å; A765-F796 HydrophobicContact CB-CZ 3.75Å; L766-F796 HydrophobicContact CD2-CB 4.46Å; L766-F796 HydrophobicContact CD2-CD1 4.13Å; L766-F796 HydrophobicContact CD2-CD2 3.64Å; L766-F796 HydrophobicContact CD2-CE1 4.3Å; L766-F796 HydrophobicContact CD2-CE2 3.86Å; L766-F796 HydrophobicContact CD2-CG 3.8Å; L766-F796 HydrophobicContact CD2-CZ 4.19Å; L766-F796 HydrophobicContact CG-CD1 4.48Å; L766-F796 HydrophobicContact CG-CE1 4.38Å; L766-F796 HydrophobicContact CG-CZ 4.46Å; L769-F796 HydrophobicContact CD1-CE2 3.77Å; L769-F796 HydrophobicContact CD1-CZ 4.45Å; I792-F796 HydrophobicContact CG2-CD2 4.04Å; I792-F796 WeakPolarHBondContact O-CD2 3.41Å; I792-F796 PolarHBondContact O-N 2.94Å; F796-S798 PolarHBondContact O-N 3.27Å; F796-L799 CarbonylContact O-C 3.57Å; F796-L799 PolarHBondContact O-N 2.9Å; F796-M800 HydrophobicContact CB-CE 3.73Å; F796-M800 HydrophobicContact CB-CG 4.27Å; F796-M800 HydrophobicContact CB-SD 4.09Å; F796-M800 WeakPolarHBondContact O-CG 3.37Å; F796-M800 PolarHBondContact O-N 3.31Å; F796-L820 HydrophobicContact CB-CD2 4.4Å
797	G	95.3	Very high	95.2	Very high	8 Å²	8	54.3 Å²	54.3	8%	0.082	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-46.3	-168.8	0	0	0	0	0	114.1	L793 L799 M800 E801	L793-G797 WeakPolarHBondContact O-CA 3.43Å; L793-G797 PolarHBondContact O-N 2.88Å; G797-L799 VanDerWaalsContact C-N 3.34Å; G797-L799 PolarHBondContact O-N 3Å; G797-M800 WeakPolarHBondContact O-CB 3.43Å; G797-M800 PolarHBondContact O-N 3.36Å; G797-E801 WeakPolarHBondContact O-CB 3.13Å; G797-E801 WeakPolarHBondContact O-CG 3.14Å; G797-E801 PolarHBondContact O-N 3.32Å
798	S	95.4	Very high	94.8	Very high	101 Å²	101	53.5 Å²	53.5	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-57.5	-45.4	175.2	-178.9	0	0	0	0	112	F796 E801 S802	F796-S798 PolarHBondContact O-N 3.27Å; S798-E801 PolarHBondContact O-N 3.23Å; S798-S802 WeakPolarHBondContact O-CB 3.25Å; S798-S802 PolarHBondContact O-N 3.45Å; S798-S802 PolarHBondContact O-OG 2.88Å
799	L	96.7	Very high	94.2	Very high	29 Å²	29	61.7 Å²	61.7	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-39.9	177.3	-171.1	65.8	0	0	0	111.5	T757 V762 F796 G797 S802 Q803 L816 L820	T757-L799 HydrophobicContact CG2-CD1 4.35Å; V762-L799 HydrophobicContact CG1-CD2 4.32Å; V762-L799 HydrophobicContact CG2-CD2 4.05Å; F796-L799 CarbonylContact O-C 3.57Å; F796-L799 PolarHBondContact O-N 2.9Å; G797-L799 VanDerWaalsContact C-N 3.34Å; G797-L799 PolarHBondContact O-N 3Å; L799-S802 PolarHBondContact O-OG 3.29Å; L799-Q803 WeakPolarHBondContact O-CG 3.31Å; L799-Q803 PolarHBondContact O-NE2 3.46Å; L799-L816 HydrophobicContact CD2-CD1 4.5Å; L799-L820 HydrophobicContact CD2-CD1 3.86Å; L799-L820 HydrophobicContact CD2-CD2 4.16Å; L799-L820 HydrophobicContact CG-CD1 3.73Å; L799-L820 HydrophobicContact CG-CD2 4.36Å
800	M	96.8	Very high	93.8	Very high	13 Å²	13	60.9 Å²	60.9	6%	0.064	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-43.2	174.2	-68.7	171.4	169.2	0	0	112.3	L766 I792 L793 F796 G797 Q803 L820 T823 A824	L766-M800 HydrophobicContact CD2-CE 3.99Å; I792-M800 HydrophobicContact CG2-CE 4.43Å; L793-M800 HydrophobicContact CD2-SD 4.1Å; F796-M800 HydrophobicContact CB-CE 3.73Å; F796-M800 HydrophobicContact CB-CG 4.27Å; F796-M800 HydrophobicContact CB-SD 4.09Å; F796-M800 WeakPolarHBondContact O-CG 3.37Å; F796-M800 PolarHBondContact O-N 3.31Å; G797-M800 WeakPolarHBondContact O-CB 3.43Å; G797-M800 PolarHBondContact O-N 3.36Å; M800-Q803 WeakPolarHBondContact O-CB 3.33Å; M800-Q803 WeakPolarHBondContact O-CG 3.17Å; M800-Q803 PolarHBondContact O-N 3.06Å; M800-L820 HydrophobicContact CE-CD2 4.18Å; M800-L820 HydrophobicContact CG-CB 4.06Å; M800-L820 HydrophobicContact CG-CD2 3.58Å; M800-L820 HydrophobicContact CG-CG 4.41Å; M800-T823 HydrophobicContact CE-CG2 3.94Å; M800-A824 HydrophobicContact CB-CB 4.34Å; M800-A824 HydrophobicContact CG-CB 4.28Å; M800-A824 HydrophobicContact SD-CB 3.79Å
801	E	94.3	Very high	93.5	Very high	128 Å²	128	56.9 Å²	56.9	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-70.8	-34.1	-178.7	-75.4	175.4	-166.8	0	0	112.8	G797 S798 Q803	G797-E801 WeakPolarHBondContact O-CB 3.13Å; G797-E801 WeakPolarHBondContact O-CG 3.14Å; G797-E801 PolarHBondContact O-N 3.32Å; S798-E801 PolarHBondContact O-N 3.23Å; E801-Q803 PolarHBondContact O-N 3.41Å
802	S	94.5	Very high	93	Very high	76 Å²	76	57.4 Å²	57.4	53%	0.531	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.8	175.3	71.1	0	0	0	0	114.5	S798 L799 T804	S798-S802 WeakPolarHBondContact O-CB 3.25Å; S798-S802 PolarHBondContact O-N 3.45Å; S798-S802 PolarHBondContact O-OG 2.88Å; L799-S802 PolarHBondContact O-OG 3.29Å; S802-T804 PolarHBondContact O-N 3.01Å
803	Q	95.4	Very high	92.7	Very high	29 Å²	29	62.7 Å²	62.7	14%	0.136	33%	0.332	C	S	.	.			trans	-64.9	130.2	-178.6	-62.6	-49.1	-56.1	0	0	112.2	L799 M800 E801 W805 R817 L820 V821	L799-Q803 WeakPolarHBondContact O-CG 3.31Å; L799-Q803 PolarHBondContact O-NE2 3.46Å; M800-Q803 WeakPolarHBondContact O-CB 3.33Å; M800-Q803 WeakPolarHBondContact O-CG 3.17Å; M800-Q803 PolarHBondContact O-N 3.06Å; E801-Q803 PolarHBondContact O-N 3.41Å; Q803-W805 VanDerWaalsContact O-CD1 3.32Å; Q803-R817 HydrophobicContact CB-CG 4.15Å; Q803-R817 HydrophobicContact CG-CG 4.34Å; Q803-L820 HydrophobicContact CG-CB 4.23Å; Q803-L820 HydrophobicContact CG-CD1 3.9Å; Q803-V821 HydrophobicContact CB-CG2 4.11Å; Q803-V821 HydrophobicContact CG-CG2 4.4Å
804	T	93.6	Very high	92.6	Very high	75 Å²	75	61.1 Å²	61.1	46%	0.46	32%	0.324	S	S	.	.			trans	-79.7	139	178.5	76.2	0	0	0	0	110.9	S802 K806 R817	S802-T804 PolarHBondContact O-N 3.01Å; T804-K806 VanDerWaalsContact C-N 3.29Å; T804-K806 PolarHBondContact O-N 3.27Å; T804-R817 WeakPolarHBondContact O-CD 3.49Å; T804-R817 PolarHBondContact O-NH1 3.08Å; T804-R817 PolarHBondContact OG1-NH1 3.16Å
805	W	93.9	Very high	92.4	Very high	40 Å²	40	59.4 Å²	59.4	15%	0.152	31%	0.308	C	S	.	.	S	Bend	trans	-97.4	37	176.8	-67.2	67.8	0	0	0	112	Q803 V821 K835 A836 L839 L856 V860	Q803-W805 VanDerWaalsContact O-CD1 3.32Å; W805-V821 HydrophobicContact CH2-CG1 3.45Å; W805-V821 VanDerWaalsContact CH2-CG1 3.45Å; W805-V821 HydrophobicContact CZ2-CG1 3.61Å; W805-V821 HydrophobicContact CZ2-CG2 4.42Å; W805-V821 HydrophobicContact CZ3-CG1 4.01Å; W805-K835 HydrophobicContact CD2-CB 4.21Å; W805-K835 HydrophobicContact CD2-CD 4.37Å; W805-K835 HydrophobicContact CE3-CB 4.44Å; W805-K835 HydrophobicContact CG-CD 4.41Å; W805-K835 HydrophobicContact CH2-CB 4.08Å; W805-K835 HydrophobicContact CZ2-CB 3.91Å; W805-K835 HydrophobicContact CZ2-CD 4.18Å; W805-K835 HydrophobicContact CZ3-CB 4.36Å; W805-A836 HydrophobicContact CH2-CB 4.15Å; W805-A836 HydrophobicContact CZ3-CB 4.25Å; W805-L839 HydrophobicContact CB-CD1 4.29Å; W805-L839 HydrophobicContact CD2-CD1 4.16Å; W805-L839 HydrophobicContact CE3-CD1 3.29Å; W805-L839 HydrophobicContact CZ3-CD1 3.9Å; W805-L856 HydrophobicContact CB-CD1 4.3Å; W805-L856 HydrophobicContact CD2-CD1 4.46Å; W805-L856 HydrophobicContact CE3-CD1 4.1Å; W805-V860 HydrophobicContact CZ3-CG2 4.03Å
806	K	90.8	Very high	92.4	Very high	160 Å²	160	58.6 Å²	58.6	70%	0.696	30%	0.304	S	S	*	.	S	Bend	trans	-118.5	176.7	-178.4	-63.9	-174.5	179.7	-179.4	0	110.4	T804 E808 R817	T804-K806 VanDerWaalsContact C-N 3.29Å; T804-K806 PolarHBondContact O-N 3.27Å; K806-E808 PolarHBondContact O-N 2.99Å; K806-R817 PolarHBondContact O-NH1 2.83Å; K806-R817 PolarHBondContact O-NH2 3.4Å; K806-R817 VanDerWaalsContact O-NH2 3.14Å
807	E	87.9	Confident	92.3	Very high	101 Å²	101	58.6 Å²	58.6	47%	0.472	30%	0.304	S	S	.	.			trans	-57.7	137.7	168.7	-67.2	-72	-167.7	0	0	111.1	K851	E807-K851 VanDerWaalsContact OE1-CD 3.23Å; E807-K851 WeakPolarHBondContact OE1-CD 3.48Å; E807-K851 WeakPolarHBondContact OE1-CE 3.2Å; E807-K851 IonicContact OE1-NZ 2.66Å; E807-K851 PolarHBondContact OE1-NZ 2.99Å; E807-K851 IonicContact OE2-NZ 3.62Å
808	E	89.1	Confident	92.3	Very high	47 Å²	47	59.3 Å²	59.3	22%	0.22	31%	0.308	C	S	.	.			trans	-130.9	146.3	173.4	172.3	56.2	-95.3	0	0	106.7	K806 S810 K813 Q814	K806-E808 PolarHBondContact O-N 2.99Å; E808-S810 WeakPolarHBondContact OE1-CB 3.34Å; E808-S810 PolarHBondContact OE1-N 3.4Å; E808-K813 HydrophobicContact CG-CB 3.74Å; E808-K813 HydrophobicContact CG-CD 4.47Å; E808-K813 WeakPolarHBondContact OE2-CD 3.25Å; E808-K813 IonicContact OE2-NZ 2.68Å; E808-Q814 HydrophobicContact CB-CG 4.3Å; E808-Q814 HydrophobicContact CG-CG 4.2Å; E808-Q814 PolarHBondContact O-NE2 3.12Å
809	Q	84.4	Confident	92.3	Very high	172 Å²	172	55.8 Å²	55.8	80%	0.804	29%	0.285	S	S	*	.			trans	-109.5	-30.5	-176.3	-65	-175.1	-6.7	0	0	112.5	S450 L811	S450-Q809 PolarHBondContact OG-O 3.08Å; Q809-L811 PolarHBondContact O-N 2.88Å
810	S	88.1	Confident	92.3	Very high	39 Å²	39	54.4 Å²	54.4	27%	0.273	28%	0.277	S	S	.	.			trans	-65.9	125.8	176.6	167.1	0	0	0	0	110.7	E808 S812 K813 Q814	E808-S810 WeakPolarHBondContact OE1-CB 3.34Å; E808-S810 PolarHBondContact OE1-N 3.4Å; S810-S812 PolarHBondContact OG-OG 3.12Å; S810-K813 PolarHBondContact O-N 3.19Å; S810-K813 WeakPolarHBondContact OG-CG 3.12Å; S810-K813 PolarHBondContact OG-N 3.35Å; S810-Q814 PolarHBondContact O-N 2.81Å
811	L	88.9	Confident	92.3	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-48.9	-177.7	-172	146.1	0	0	0	112.1	S450 L451 Q454 L503 D504 Q809 K813 Q814 E815	S450-L811 VanDerWaalsContact O-CD1 3.3Å; S450-L811 WeakPolarHBondContact O-CD1 3.12Å; L451-L811 HydrophobicContact CD2-CD1 4.5Å; L451-L811 HydrophobicContact CD2-CD2 3.93Å; L451-L811 HydrophobicContact CD2-CG 3.94Å; Q454-L811 HydrophobicContact CB-CD1 3.65Å; Q454-L811 HydrophobicContact CG-CD1 4.21Å; L503-L811 HydrophobicContact CD2-CD1 4.49Å; D504-L811 HydrophobicContact CB-CD2 4.43Å; Q809-L811 PolarHBondContact O-N 2.88Å; L811-K813 VanDerWaalsContact C-N 3.26Å; L811-K813 PolarHBondContact O-N 3.48Å; L811-Q814 WeakPolarHBondContact O-CA 3.18Å; L811-Q814 WeakPolarHBondContact O-CB 3.27Å; L811-Q814 PolarHBondContact O-N 3.17Å; L811-E815 PolarHBondContact O-N 3.36Å
812	S	86.9	Confident	92.4	Very high	34 Å²	34	49.2 Å²	49.2	24%	0.238	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-39.7	177.3	53.1	0	0	0	0	112.1	D504 T759 S810 E815 L816	D504-S812 WeakPolarHBondContact OD2-CB 3.34Å; T759-S812 PolarHBondContact OG1-O 2.98Å; T759-S812 VanDerWaalsContact OG1-O 3.07Å; S810-S812 PolarHBondContact OG-OG 3.12Å; S812-E815 PolarHBondContact O-N 3.2Å; S812-L816 VanDerWaalsContact O-CB 3.31Å; S812-L816 WeakPolarHBondContact O-CB 3.5Å; S812-L816 PolarHBondContact O-N 2.85Å
813	K	91	Very high	92.5	Very high	115 Å²	115	46.6 Å²	46.6	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-40.1	172.5	-67.9	-175.2	-177.6	179	0	113.5	E808 S810 L811 E815 R817	E808-K813 HydrophobicContact CG-CB 3.74Å; E808-K813 HydrophobicContact CG-CD 4.47Å; E808-K813 WeakPolarHBondContact OE2-CD 3.25Å; E808-K813 IonicContact OE2-NZ 2.68Å; S810-K813 PolarHBondContact O-N 3.19Å; S810-K813 WeakPolarHBondContact OG-CG 3.12Å; S810-K813 PolarHBondContact OG-N 3.35Å; L811-K813 VanDerWaalsContact C-N 3.26Å; L811-K813 PolarHBondContact O-N 3.48Å; K813-E815 VanDerWaalsContact C-N 3.33Å; K813-R817 WeakPolarHBondContact O-CB 3.47Å; K813-R817 PolarHBondContact O-N 2.93Å
814	Q	92.8	Very high	92.6	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-42.5	172.9	-76.2	179.4	13.6	0	0	111.2	S450 L451 E808 S810 L811 S818 D855	S450-Q814 VanDerWaalsContact CB-OE1 3.29Å; S450-Q814 PolarHBondContact OG-NE2 2.83Å; L451-Q814 HydrophobicContact CD1-CB 4.15Å; L451-Q814 HydrophobicContact CG-CB 4.16Å; E808-Q814 HydrophobicContact CB-CG 4.3Å; E808-Q814 HydrophobicContact CG-CG 4.2Å; E808-Q814 PolarHBondContact O-NE2 3.12Å; S810-Q814 PolarHBondContact O-N 2.81Å; L811-Q814 WeakPolarHBondContact O-CA 3.18Å; L811-Q814 WeakPolarHBondContact O-CB 3.27Å; L811-Q814 PolarHBondContact O-N 3.17Å; Q814-S818 WeakPolarHBondContact O-CB 3.45Å; Q814-S818 PolarHBondContact O-N 2.84Å; Q814-D855 HydrophobicContact CB-CB 4.07Å; Q814-D855 HydrophobicContact CG-CB 4.29Å
815	E	92.6	Very high	92.8	Very high	35 Å²	35	42.1 Å²	42.1	16%	0.164	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-56.2	177.9	-171.9	-179	171.2	0	0	111.4	L451 T759 L811 S812 K813 R817 S818 A819	L451-E815 HydrophobicContact CD2-CB 3.96Å; T759-E815 HydrophobicContact CG2-CB 3.92Å; T759-E815 HydrophobicContact CG2-CG 3.82Å; L811-E815 PolarHBondContact O-N 3.36Å; S812-E815 PolarHBondContact O-N 3.2Å; K813-E815 VanDerWaalsContact C-N 3.33Å; E815-R817 VanDerWaalsContact C-N 3.33Å; E815-R817 PolarHBondContact O-N 2.87Å; E815-S818 PolarHBondContact O-N 3.33Å; E815-A819 PolarHBondContact O-N 3.39Å
816	L	94.8	Very high	92.7	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-55.1	-47.8	177.5	176	58.9	0	0	0	111.5	T757 T759 V762 L799 S812 A819 L820	T757-L816 VanDerWaalsContact O-CD2 3.23Å; T757-L816 WeakPolarHBondContact O-CD2 3.33Å; T759-L816 HydrophobicContact CG2-CB 4.11Å; V762-L816 HydrophobicContact CB-CD1 3.69Å; V762-L816 HydrophobicContact CG1-CD1 3.56Å; V762-L816 HydrophobicContact CG2-CD1 4.13Å; L799-L816 HydrophobicContact CD2-CD1 4.5Å; S812-L816 VanDerWaalsContact O-CB 3.31Å; S812-L816 WeakPolarHBondContact O-CB 3.5Å; S812-L816 PolarHBondContact O-N 2.85Å; L816-A819 PolarHBondContact O-N 2.93Å; L816-L820 HydrophobicContact CD1-CD1 3.65Å; L816-L820 HydrophobicContact CD1-CG 4.07Å; L816-L820 HydrophobicContact CG-CD1 3.75Å; L816-L820 WeakPolarHBondContact O-CB 3.49Å; L816-L820 VanDerWaalsContact O-CG 3.29Å; L816-L820 WeakPolarHBondContact O-CG 3.22Å; L816-L820 PolarHBondContact O-N 3.06Å
817	R	95.8	Very high	92.9	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-45.4	178.3	-179.8	169.7	70.8	177.3	5.6	112	Q803 T804 K806 K813 E815 A819 L820 V821 D855 L856	Q803-R817 HydrophobicContact CB-CG 4.15Å; Q803-R817 HydrophobicContact CG-CG 4.34Å; T804-R817 WeakPolarHBondContact O-CD 3.49Å; T804-R817 PolarHBondContact O-NH1 3.08Å; T804-R817 PolarHBondContact OG1-NH1 3.16Å; K806-R817 PolarHBondContact O-NH1 2.83Å; K806-R817 PolarHBondContact O-NH2 3.4Å; K806-R817 VanDerWaalsContact O-NH2 3.14Å; K813-R817 WeakPolarHBondContact O-CB 3.47Å; K813-R817 PolarHBondContact O-N 2.93Å; E815-R817 VanDerWaalsContact C-N 3.33Å; E815-R817 PolarHBondContact O-N 2.87Å; R817-A819 VanDerWaalsContact C-N 3.32Å; R817-A819 PolarHBondContact O-N 3Å; R817-L820 PolarHBondContact O-N 3.41Å; R817-V821 HydrophobicContact CG-CG2 3.99Å; R817-V821 VanDerWaalsContact O-CB 3.31Å; R817-V821 WeakPolarHBondContact O-CB 3.39Å; R817-V821 VanDerWaalsContact O-CG2 3.3Å; R817-V821 WeakPolarHBondContact O-CG2 3.47Å; R817-V821 PolarHBondContact O-N 2.93Å; R817-D855 IonicContact CZ-OD1 2.77Å; R817-D855 IonicContact CZ-OD2 2.75Å; R817-D855 IonicContact NE-OD2 2.71Å; R817-D855 PolarHBondContact NE-OD2 3.08Å; R817-D855 IonicContact NH2-OD1 3.36Å; R817-D855 PolarHBondContact NH2-OD1 3.03Å; R817-D855 IonicContact NH2-OD2 2.62Å; R817-D855 PolarHBondContact NH2-OD2 2.59Å; R817-L856 HydrophobicContact CG-CD2 3.86Å
818	S	94.3	Very high	93.2	Very high	23 Å²	23	36.3 Å²	36.3	16%	0.161	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-41.6	-179.9	-163.5	0	0	0	0	111	Q814 E815 S822 D855	Q814-S818 WeakPolarHBondContact O-CB 3.45Å; Q814-S818 PolarHBondContact O-N 2.84Å; E815-S818 PolarHBondContact O-N 3.33Å; S818-S822 WeakPolarHBondContact O-CB 3.21Å; S818-S822 PolarHBondContact O-N 2.95Å; S818-S822 PolarHBondContact O-OG 3.33Å; S818-D855 WeakPolarHBondContact CB-O 3.23Å; S818-D855 PolarHBondContact OG-O 3.04Å
819	A	95.4	Very high	93.5	Very high	26 Å²	26	35.7 Å²	35.7	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-50.6	174.9	0	0	0	0	0	112.5	T763 L766 E815 L816 R817 T823	T763-A819 HydrophobicContact CG2-CB 3.85Å; L766-A819 HydrophobicContact CD1-CB 4.41Å; E815-A819 PolarHBondContact O-N 3.39Å; L816-A819 PolarHBondContact O-N 2.93Å; R817-A819 VanDerWaalsContact C-N 3.32Å; R817-A819 PolarHBondContact O-N 3Å; A819-T823 WeakPolarHBondContact O-CB 3.38Å; A819-T823 PolarHBondContact O-N 2.69Å; A819-T823 PolarHBondContact O-OG1 3.05Å; A819-T823 VanDerWaalsContact O-OG1 3.11Å
820	L	97.6	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-50.8	179.7	-75.1	166	0	0	0	112.3	V762 L766 F796 L799 M800 Q803 L816 R817 T823 A824	V762-L820 HydrophobicContact CG1-CD2 3.98Å; V762-L820 HydrophobicContact CG1-CG 4.37Å; L766-L820 HydrophobicContact CD1-CD2 3.98Å; L766-L820 HydrophobicContact CD1-CG 4.39Å; F796-L820 HydrophobicContact CB-CD2 4.4Å; L799-L820 HydrophobicContact CD2-CD1 3.86Å; L799-L820 HydrophobicContact CD2-CD2 4.16Å; L799-L820 HydrophobicContact CG-CD1 3.73Å; L799-L820 HydrophobicContact CG-CD2 4.36Å; M800-L820 HydrophobicContact CE-CD2 4.18Å; M800-L820 HydrophobicContact CG-CB 4.06Å; M800-L820 HydrophobicContact CG-CD2 3.58Å; M800-L820 HydrophobicContact CG-CG 4.41Å; Q803-L820 HydrophobicContact CG-CB 4.23Å; Q803-L820 HydrophobicContact CG-CD1 3.9Å; L816-L820 HydrophobicContact CD1-CD1 3.65Å; L816-L820 HydrophobicContact CD1-CG 4.07Å; L816-L820 HydrophobicContact CG-CD1 3.75Å; L816-L820 WeakPolarHBondContact O-CB 3.49Å; L816-L820 VanDerWaalsContact O-CG 3.29Å; L816-L820 WeakPolarHBondContact O-CG 3.22Å; L816-L820 PolarHBondContact O-N 3.06Å; R817-L820 PolarHBondContact O-N 3.41Å; L820-T823 PolarHBondContact O-N 2.94Å; L820-A824 WeakPolarHBondContact O-CB 3.39Å; L820-A824 PolarHBondContact O-N 2.75Å
821	V	97.2	Very high	94.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-41.1	-177.6	175.4	0	0	0	0	110.9	Q803 W805 R817 T823 A824 C825 C832 L856 A859	Q803-V821 HydrophobicContact CB-CG2 4.11Å; Q803-V821 HydrophobicContact CG-CG2 4.4Å; W805-V821 HydrophobicContact CH2-CG1 3.45Å; W805-V821 VanDerWaalsContact CH2-CG1 3.45Å; W805-V821 HydrophobicContact CZ2-CG1 3.61Å; W805-V821 HydrophobicContact CZ2-CG2 4.42Å; W805-V821 HydrophobicContact CZ3-CG1 4.01Å; R817-V821 HydrophobicContact CG-CG2 3.99Å; R817-V821 VanDerWaalsContact O-CB 3.31Å; R817-V821 WeakPolarHBondContact O-CB 3.39Å; R817-V821 VanDerWaalsContact O-CG2 3.3Å; R817-V821 WeakPolarHBondContact O-CG2 3.47Å; R817-V821 PolarHBondContact O-N 2.93Å; V821-T823 PolarHBondContact O-N 3.41Å; V821-A824 PolarHBondContact O-N 3.31Å; V821-C825 WeakPolarHBondContact O-CB 3.38Å; V821-C825 PolarHBondContact O-N 3.1Å; V821-C832 PolarHBondContact O-SG 2.96Å; V821-L856 HydrophobicContact CB-CD2 4.2Å; V821-L856 HydrophobicContact CG1-CD2 4.14Å; V821-L856 HydrophobicContact CG2-CD2 4.07Å; V821-A859 HydrophobicContact CG1-CB 3.93Å
822	S	95.8	Very high	94.5	Very high	29 Å²	29	32.9 Å²	32.9	20%	0.203	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.4	-62.1	0	0	0	0	111.6	S818 A826	S818-S822 WeakPolarHBondContact O-CB 3.21Å; S818-S822 PolarHBondContact O-N 2.95Å; S818-S822 PolarHBondContact O-OG 3.33Å; S822-A826 WeakPolarHBondContact O-CB 3.14Å; S822-A826 PolarHBondContact O-N 2.82Å
823	T	96.6	Very high	95	Very high	22 Å²	22	32 Å²	32	14%	0.135	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-44.8	177.2	-62.8	0	0	0	0	111.9	L766 I792 M800 A819 L820 V821 C825 A826 L827	L766-T823 HydrophobicContact CD2-CG2 4.21Å; I792-T823 HydrophobicContact CG2-CG2 4.38Å; M800-T823 HydrophobicContact CE-CG2 3.94Å; A819-T823 WeakPolarHBondContact O-CB 3.38Å; A819-T823 PolarHBondContact O-N 2.69Å; A819-T823 PolarHBondContact O-OG1 3.05Å; A819-T823 VanDerWaalsContact O-OG1 3.11Å; L820-T823 PolarHBondContact O-N 2.94Å; V821-T823 PolarHBondContact O-N 3.41Å; T823-C825 PolarHBondContact O-N 3.39Å; T823-A826 PolarHBondContact O-N 2.9Å; T823-L827 HydrophobicContact CG2-CD1 3.72Å; T823-L827 HydrophobicContact CG2-CG 4.23Å; T823-L827 WeakPolarHBondContact O-CB 3.34Å; T823-L827 VanDerWaalsContact O-CG 3.31Å; T823-L827 WeakPolarHBondContact O-CG 3.46Å; T823-L827 PolarHBondContact O-N 2.94Å
824	A	97.3	Very high	95.3	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-45.6	178.1	0	0	0	0	0	112.2	M800 L820 V821 N828 N829 C832	M800-A824 HydrophobicContact CB-CB 4.34Å; M800-A824 HydrophobicContact CG-CB 4.28Å; M800-A824 HydrophobicContact SD-CB 3.79Å; L820-A824 WeakPolarHBondContact O-CB 3.39Å; L820-A824 PolarHBondContact O-N 2.75Å; V821-A824 PolarHBondContact O-N 3.31Å; A824-N828 PolarHBondContact O-N 3.04Å; A824-N829 HydrophobicContact CB-CB 4.36Å; A824-N829 VanDerWaalsContact O-CB 3.26Å; A824-N829 WeakPolarHBondContact O-CB 3.29Å; A824-N829 PolarHBondContact O-N 2.78Å; A824-C832 HydrophobicContact CB-CB 4Å
825	C	96.7	Very high	95.4	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-39.7	178.6	-83	0	0	0	0	112	V821 T823 L827 N828 C832 V863	V821-C825 WeakPolarHBondContact O-CB 3.38Å; V821-C825 PolarHBondContact O-N 3.1Å; T823-C825 PolarHBondContact O-N 3.39Å; C825-L827 VanDerWaalsContact C-N 3.3Å; C825-L827 PolarHBondContact O-N 3.44Å; C825-N828 PolarHBondContact O-N 3.11Å; C825-C832 WeakPolarHBondContact CA-SG 3.45Å; C825-C832 HydrophobicContact CB-CB 4.14Å; C825-C832 WeakPolarHBondContact CB-SG 3.45Å; C825-C832 PolarHBondContact N-SG 3.28Å; C825-C832 WeakPolarHBondContact SG-CB 3.35Å; C825-C832 PolarHBondContact SG-O 2.88Å; C825-C832 VanDerWaalsContact SG-O 3.39Å; C825-C832 CovalentContact SG-SG 2.05Å; C825-C832 PolarHBondContact SG-SG 2.8Å; C825-V863 HydrophobicContact CB-CG2 3.75Å
826	A	93.8	Very high	95.6	Very high	70 Å²	70	35.6 Å²	35.6	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-64.9	-31.8	175.8	0	0	0	0	0	113.1	S822 T823 N828	S822-A826 WeakPolarHBondContact O-CB 3.14Å; S822-A826 PolarHBondContact O-N 2.82Å; T823-A826 PolarHBondContact O-N 2.9Å; A826-N828 PolarHBondContact O-N 2.9Å
827	L	94.3	Very high	95.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2.6	172.8	-69	173.5	0	0	0	113.3	Y773 K789 I792 T823 C825	Y773-L827 HydrophobicContact CD1-CD2 4.07Å; Y773-L827 HydrophobicContact CD2-CD2 4.16Å; Y773-L827 HydrophobicContact CE1-CD2 3.84Å; Y773-L827 HydrophobicContact CE2-CD2 3.94Å; Y773-L827 HydrophobicContact CG-CD2 4.24Å; K789-L827 HydrophobicContact CB-CD2 4.2Å; K789-L827 HydrophobicContact CD-CB 4.49Å; K789-L827 VanDerWaalsContact CD-O 3.25Å; K789-L827 WeakPolarHBondContact CD-O 3.2Å; K789-L827 WeakPolarHBondContact CE-O 3.43Å; K789-L827 HydrophobicContact CG-CB 4.33Å; K789-L827 HydrophobicContact CG-CD2 4.4Å; K789-L827 PolarHBondContact NZ-O 2.84Å; I792-L827 HydrophobicContact CB-CD1 4.12Å; I792-L827 HydrophobicContact CD1-CD1 4.29Å; I792-L827 HydrophobicContact CG2-CD1 3.72Å; T823-L827 HydrophobicContact CG2-CD1 3.72Å; T823-L827 HydrophobicContact CG2-CG 4.23Å; T823-L827 WeakPolarHBondContact O-CB 3.34Å; T823-L827 VanDerWaalsContact O-CG 3.31Å; T823-L827 WeakPolarHBondContact O-CG 3.46Å; T823-L827 PolarHBondContact O-N 2.94Å; C825-L827 VanDerWaalsContact C-N 3.3Å; C825-L827 PolarHBondContact O-N 3.44Å
828	N	93.6	Very high	95.7	Very high	102 Å²	102	44.6 Å²	44.6	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	58.4	-172.6	-58.9	-61.6	0	0	0	111.9	K789 A824 C825 A826	K789-N828 PolarHBondContact NZ-O 2.65Å; A824-N828 PolarHBondContact O-N 3.04Å; C825-N828 PolarHBondContact O-N 3.11Å; A826-N828 PolarHBondContact O-N 2.9Å
829	N	95.1	Very high	95.7	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	26%	0.261	C	S	.	.			trans	-80.1	121.7	160.6	172	-84.1	0	0	0	108.8	L793 A824 G831 C832 V833	L793-N829 HydrophobicContact CD2-CB 4.42Å; A824-N829 HydrophobicContact CB-CB 4.36Å; A824-N829 VanDerWaalsContact O-CB 3.26Å; A824-N829 WeakPolarHBondContact O-CB 3.29Å; A824-N829 PolarHBondContact O-N 2.78Å; N829-G831 VanDerWaalsContact C-N 3.35Å; N829-G831 PolarHBondContact O-N 3.45Å; N829-G831 PolarHBondContact OD1-N 3.34Å; N829-C832 HydrophobicContact CB-CB 4.21Å; N829-C832 WeakPolarHBondContact O-CB 3.33Å; N829-C832 PolarHBondContact O-N 3.16Å; N829-C832 PolarHBondContact OD1-N 3.32Å; N829-V833 WeakPolarHBondContact O-CG2 3.49Å; N829-V833 PolarHBondContact O-N 2.92Å
830	D	93.3	Very high	95.7	Very high	120 Å²	120	44.5 Å²	44.5	64%	0.642	25%	0.252	S	S	*	.	H	α-helix	trans	-58.7	-44.4	-172.3	-58.6	-43.3	0	0	0	112.3	C832 V833 E834	D830-C832 VanDerWaalsContact C-N 3.27Å; D830-C832 PolarHBondContact O-N 3.06Å; D830-V833 PolarHBondContact O-N 3.05Å; D830-V833 VanDerWaalsContact O-N 3.13Å; D830-E834 WeakPolarHBondContact O-CB 3.44Å; D830-E834 WeakPolarHBondContact O-CG 3.09Å; D830-E834 PolarHBondContact O-N 2.99Å
831	G	93.7	Very high	95.5	Very high	33 Å²	33	50.6 Å²	50.6	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-29.1	177.4	0	0	0	0	0	114.2	N829 K835	N829-G831 VanDerWaalsContact C-N 3.35Å; N829-G831 PolarHBondContact O-N 3.45Å; N829-G831 PolarHBondContact OD1-N 3.34Å; G831-K835 WeakPolarHBondContact O-CB 2.92Å; G831-K835 VanDerWaalsContact O-CD 3.24Å; G831-K835 WeakPolarHBondContact O-CD 3.44Å; G831-K835 WeakPolarHBondContact O-CG 3.34Å
832	C	96.6	Very high	95.3	Very high	6 Å²	6	54 Å²	54	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-75.5	-48.2	171	-165.9	0	0	0	0	111.2	V821 A824 C825 N829 D830 E834 K835 A836	V821-C832 PolarHBondContact O-SG 2.96Å; A824-C832 HydrophobicContact CB-CB 4Å; C825-C832 WeakPolarHBondContact CA-SG 3.45Å; C825-C832 HydrophobicContact CB-CB 4.14Å; C825-C832 WeakPolarHBondContact CB-SG 3.45Å; C825-C832 PolarHBondContact N-SG 3.28Å; C825-C832 WeakPolarHBondContact SG-CB 3.35Å; C825-C832 PolarHBondContact SG-O 2.88Å; C825-C832 VanDerWaalsContact SG-O 3.39Å; C825-C832 CovalentContact SG-SG 2.05Å; C825-C832 PolarHBondContact SG-SG 2.8Å; N829-C832 HydrophobicContact CB-CB 4.21Å; N829-C832 WeakPolarHBondContact O-CB 3.33Å; N829-C832 PolarHBondContact O-N 3.16Å; N829-C832 PolarHBondContact OD1-N 3.32Å; D830-C832 VanDerWaalsContact C-N 3.27Å; D830-C832 PolarHBondContact O-N 3.06Å; C832-E834 PolarHBondContact O-N 2.83Å; C832-K835 PolarHBondContact O-N 3.5Å; C832-A836 VanDerWaalsContact O-CB 3.3Å; C832-A836 WeakPolarHBondContact O-CB 3.48Å; C832-A836 PolarHBondContact O-N 3.15Å
833	V	96.9	Very high	95.1	Very high	17 Å²	17	53.6 Å²	53.6	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-42.7	-176.4	170.6	0	0	0	0	111.7	N829 D830 A836 K837 V863	N829-V833 WeakPolarHBondContact O-CG2 3.49Å; N829-V833 PolarHBondContact O-N 2.92Å; D830-V833 PolarHBondContact O-N 3.05Å; D830-V833 VanDerWaalsContact O-N 3.13Å; V833-A836 PolarHBondContact O-N 2.81Å; V833-K837 HydrophobicContact CG1-CD 4Å; V833-K837 HydrophobicContact CG1-CG 4.49Å; V833-K837 WeakPolarHBondContact O-CB 3.38Å; V833-K837 VanDerWaalsContact O-CG 3.28Å; V833-K837 WeakPolarHBondContact O-CG 3.43Å; V833-K837 PolarHBondContact O-N 2.85Å; V833-V863 HydrophobicContact CG1-CG1 4.04Å
834	E	96.4	Very high	94.8	Very high	137 Å²	137	54.5 Å²	54.5	64%	0.64	30%	0.296	S	S	*	.	H	α-helix	trans	-65.2	-45.7	176.9	-71.5	-175.8	161.4	0	0	112	D830 C832 A836 K837 S838	D830-E834 WeakPolarHBondContact O-CB 3.44Å; D830-E834 WeakPolarHBondContact O-CG 3.09Å; D830-E834 PolarHBondContact O-N 2.99Å; C832-E834 PolarHBondContact O-N 2.83Å; E834-A836 PolarHBondContact O-N 2.83Å; E834-K837 PolarHBondContact O-N 2.93Å; E834-S838 VanDerWaalsContact O-CB 3.3Å; E834-S838 WeakPolarHBondContact O-CB 3.46Å; E834-S838 PolarHBondContact O-N 3.3Å
835	K	96.3	Very high	94.4	Very high	93 Å²	93	59.5 Å²	59.5	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-44.6	175.4	-72.9	173.8	-170	168.8	0	111.3	W805 G831 C832 S838 L839	W805-K835 HydrophobicContact CD2-CB 4.21Å; W805-K835 HydrophobicContact CD2-CD 4.37Å; W805-K835 HydrophobicContact CE3-CB 4.44Å; W805-K835 HydrophobicContact CG-CD 4.41Å; W805-K835 HydrophobicContact CH2-CB 4.08Å; W805-K835 HydrophobicContact CZ2-CB 3.91Å; W805-K835 HydrophobicContact CZ2-CD 4.18Å; W805-K835 HydrophobicContact CZ3-CB 4.36Å; G831-K835 WeakPolarHBondContact O-CB 2.92Å; G831-K835 VanDerWaalsContact O-CD 3.24Å; G831-K835 WeakPolarHBondContact O-CD 3.44Å; G831-K835 WeakPolarHBondContact O-CG 3.34Å; C832-K835 PolarHBondContact O-N 3.5Å; K835-S838 PolarHBondContact O-N 3.49Å; K835-L839 WeakPolarHBondContact O-CB 2.99Å; K835-L839 WeakPolarHBondContact O-CG 3.4Å; K835-L839 PolarHBondContact O-N 3Å
836	A	96.9	Very high	94	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-47.3	177.2	0	0	0	0	0	112.3	W805 C832 V833 E834 S838 L839 F840 V860 V863	W805-A836 HydrophobicContact CH2-CB 4.15Å; W805-A836 HydrophobicContact CZ3-CB 4.25Å; C832-A836 VanDerWaalsContact O-CB 3.3Å; C832-A836 WeakPolarHBondContact O-CB 3.48Å; C832-A836 PolarHBondContact O-N 3.15Å; V833-A836 PolarHBondContact O-N 2.81Å; E834-A836 PolarHBondContact O-N 2.83Å; A836-S838 PolarHBondContact O-N 2.94Å; A836-L839 PolarHBondContact O-N 2.98Å; A836-F840 PolarHBondContact O-N 2.82Å; A836-V860 HydrophobicContact CB-CG2 4.43Å; A836-V863 HydrophobicContact CB-CB 3.86Å; A836-V863 HydrophobicContact CB-CG1 3.93Å; A836-V863 HydrophobicContact CB-CG2 3.93Å
837	K	96.3	Very high	93.5	Very high	126 Å²	126	64 Å²	64	55%	0.548	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-45.1	174.2	-75.4	173.9	179.3	174	0	111.8	V833 E834 L839 F840 K841 V863	V833-K837 HydrophobicContact CG1-CD 4Å; V833-K837 HydrophobicContact CG1-CG 4.49Å; V833-K837 WeakPolarHBondContact O-CB 3.38Å; V833-K837 VanDerWaalsContact O-CG 3.28Å; V833-K837 WeakPolarHBondContact O-CG 3.43Å; V833-K837 PolarHBondContact O-N 2.85Å; E834-K837 PolarHBondContact O-N 2.93Å; K837-L839 VanDerWaalsContact C-N 3.35Å; K837-L839 PolarHBondContact O-N 2.98Å; K837-F840 PolarHBondContact O-N 3.48Å; K837-K841 WeakPolarHBondContact O-CB 3.39Å; K837-K841 PolarHBondContact O-N 2.81Å; K837-V863 HydrophobicContact CG-CG1 3.83Å
838	S	95	Very high	92.9	Very high	80 Å²	80	67.1 Å²	67.1	56%	0.559	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-39.8	178.5	-174.3	0	0	0	0	112.3	E834 K835 A836 N842	E834-S838 VanDerWaalsContact O-CB 3.3Å; E834-S838 WeakPolarHBondContact O-CB 3.46Å; E834-S838 PolarHBondContact O-N 3.3Å; K835-S838 PolarHBondContact O-N 3.49Å; A836-S838 PolarHBondContact O-N 2.94Å; S838-N842 WeakPolarHBondContact O-CB 3.33Å; S838-N842 PolarHBondContact O-N 3.24Å
839	L	95.1	Very high	92.1	Very high	42 Å²	42	67.5 Å²	67.5	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-41.9	177	-76.4	169	0	0	0	112.2	W805 K835 A836 K837 N842 Y843 V860	W805-L839 HydrophobicContact CB-CD1 4.29Å; W805-L839 HydrophobicContact CD2-CD1 4.16Å; W805-L839 HydrophobicContact CE3-CD1 3.29Å; W805-L839 HydrophobicContact CZ3-CD1 3.9Å; K835-L839 WeakPolarHBondContact O-CB 2.99Å; K835-L839 WeakPolarHBondContact O-CG 3.4Å; K835-L839 PolarHBondContact O-N 3Å; A836-L839 PolarHBondContact O-N 2.98Å; K837-L839 VanDerWaalsContact C-N 3.35Å; K837-L839 PolarHBondContact O-N 2.98Å; L839-N842 PolarHBondContact O-N 2.63Å; L839-Y843 VanDerWaalsContact O-CB 3.32Å; L839-Y843 WeakPolarHBondContact O-CB 3.31Å; L839-Y843 PolarHBondContact O-N 2.67Å; L839-V860 HydrophobicContact CB-CG1 4.43Å; L839-V860 HydrophobicContact CB-CG2 4.48Å; L839-V860 HydrophobicContact CD1-CG2 4.41Å
840	F	95.4	Very high	91.4	Very high	5 Å²	5	69.1 Å²	69.1	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-40.9	175.2	-169.5	-99.1	0	0	0	111.7	A836 K837 Y843 T844 V860 F861 A864 L874	A836-F840 PolarHBondContact O-N 2.82Å; K837-F840 PolarHBondContact O-N 3.48Å; F840-Y843 HydrophobicContact CD2-CD1 4.32Å; F840-Y843 HydrophobicContact CE2-CD1 4.31Å; F840-Y843 WeakPolarHBondContact O-CA 3.48Å; F840-Y843 VanDerWaalsContact O-CB 3.32Å; F840-Y843 WeakPolarHBondContact O-CB 3.41Å; F840-Y843 PolarHBondContact O-N 3.45Å; F840-Y843 VanDerWaalsContact O-N 3.16Å; F840-T844 HydrophobicContact CD1-CG2 4.14Å; F840-T844 HydrophobicContact CE1-CG2 3.65Å; F840-T844 HydrophobicContact CZ-CG2 4.02Å; F840-T844 PolarHBondContact O-N 3.17Å; F840-T844 PolarHBondContact O-OG1 3.24Å; F840-V860 HydrophobicContact CB-CG1 3.8Å; F840-V860 HydrophobicContact CD2-CG1 4.26Å; F840-F861 AromaticContact CD2-CD1 3.94Å; F840-F861 HydrophobicContact CD2-CD1 3.94Å; F840-F861 HydrophobicContact CD2-CE1 4.23Å; F840-F861 AromaticContact CE2-CD1 3.91Å; F840-F861 HydrophobicContact CE2-CD1 3.91Å; F840-F861 HydrophobicContact CE2-CE1 4.15Å; F840-A864 HydrophobicContact CB-CB 3.98Å; F840-A864 HydrophobicContact CD1-CB 3.56Å; F840-A864 HydrophobicContact CD2-CB 3.64Å; F840-A864 HydrophobicContact CE1-CB 3.9Å; F840-A864 HydrophobicContact CE2-CB 3.98Å; F840-A864 HydrophobicContact CG-CB 3.41Å; F840-A864 VanDerWaalsContact CG-CB 3.41Å; F840-A864 HydrophobicContact CZ-CB 4.09Å; F840-L874 HydrophobicContact CE2-CD1 4.3Å; F840-L874 HydrophobicContact CZ-CB 4.26Å
841	K	93.7	Very high	90.8	Very high	127 Å²	127	68 Å²	68	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-61.3	-46.9	174.1	178.5	172.2	177.3	178	0	112	K837 Y843 T844 D845	K837-K841 WeakPolarHBondContact O-CB 3.39Å; K837-K841 PolarHBondContact O-N 2.81Å; K841-Y843 PolarHBondContact O-N 3.31Å; K841-T844 WeakPolarHBondContact CA-OG1 3.13Å; K841-T844 PolarHBondContact O-N 2.83Å; K841-T844 PolarHBondContact O-OG1 3.44Å; K841-D845 WeakPolarHBondContact CE-OD2 3.41Å; K841-D845 WeakPolarHBondContact CG-OD2 3.25Å; K841-D845 VanDerWaalsContact O-CB 3.28Å; K841-D845 WeakPolarHBondContact O-CB 3.45Å; K841-D845 PolarHBondContact O-N 2.55Å
842	N	93.1	Very high	90.6	Very high	74 Å²	74	66.7 Å²	66.7	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-31.8	175.6	-172.1	16.2	0	0	0	112	S838 L839 C846 N850	S838-N842 WeakPolarHBondContact O-CB 3.33Å; S838-N842 PolarHBondContact O-N 3.24Å; L839-N842 PolarHBondContact O-N 2.63Å; N842-C846 WeakPolarHBondContact O-CB 3.27Å; N842-C846 PolarHBondContact O-N 3.05Å; N842-N850 PolarHBondContact OD1-ND2 2.94Å
843	Y	90.9	Very high	90.3	Very high	22 Å²	22	66.6 Å²	66.6	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-43.3	173.8	-174.5	-133.9	0	0	0	112.1	L839 F840 K841 Y848 N850 I852 F861 L877	L839-Y843 VanDerWaalsContact O-CB 3.32Å; L839-Y843 WeakPolarHBondContact O-CB 3.31Å; L839-Y843 PolarHBondContact O-N 2.67Å; F840-Y843 HydrophobicContact CD2-CD1 4.32Å; F840-Y843 HydrophobicContact CE2-CD1 4.31Å; F840-Y843 WeakPolarHBondContact O-CA 3.48Å; F840-Y843 VanDerWaalsContact O-CB 3.32Å; F840-Y843 WeakPolarHBondContact O-CB 3.41Å; F840-Y843 PolarHBondContact O-N 3.45Å; F840-Y843 VanDerWaalsContact O-N 3.16Å; K841-Y843 PolarHBondContact O-N 3.31Å; Y843-Y848 AromaticContact CD1-CD1 3.83Å; Y843-Y848 HydrophobicContact CD1-CD1 3.83Å; Y843-Y848 HydrophobicContact CD1-CE1 4.39Å; Y843-Y848 HydrophobicContact CD2-CD1 4.24Å; Y843-Y848 AromaticContact CE1-CD1 3.66Å; Y843-Y848 HydrophobicContact CE1-CD1 3.66Å; Y843-Y848 HydrophobicContact CE1-CE1 4.39Å; Y843-Y848 HydrophobicContact CE2-CD1 4.1Å; Y843-Y848 HydrophobicContact CE2-CG 4.42Å; Y843-Y848 WeakPolarHBondContact CE2-O 3.37Å; Y843-Y848 HydrophobicContact CG-CD1 4.13Å; Y843-Y848 AromaticContact CZ-CD1 3.8Å; Y843-Y848 VanDerWaalsContact O-CA 3.25Å; Y843-Y848 WeakPolarHBondContact O-CA 3.18Å; Y843-Y848 PolarHBondContact O-N 3.28Å; Y843-N850 WeakPolarHBondContact CD2-O 3.46Å; Y843-N850 WeakPolarHBondContact CE2-O 3.37Å; Y843-I852 HydrophobicContact CD1-CD1 3.54Å; Y843-I852 HydrophobicContact CD2-CD1 4.29Å; Y843-I852 HydrophobicContact CD2-CG1 4.44Å; Y843-I852 HydrophobicContact CE1-CD1 4.11Å; Y843-I852 HydrophobicContact CG-CD1 3.63Å; Y843-I852 HydrophobicContact CG-CG1 4.17Å; Y843-F861 HydrophobicContact CD1-CE1 4.24Å; Y843-F861 AromaticContact CE1-CE1 3.95Å; Y843-F861 HydrophobicContact CE1-CE1 3.95Å; Y843-F861 HydrophobicContact CE1-CZ 4.22Å; Y843-L877 HydrophobicContact CE1-CD2 3.59Å
844	T	89.8	Confident	89.9	Confident	40 Å²	40	66.2 Å²	66.2	25%	0.245	34%	0.339	C	S	.	.	H	α-helix	trans	-71.2	-45	174.9	52.4	0	0	0	0	112.9	F840 K841 C846 N847 Y848 A873	F840-T844 HydrophobicContact CD1-CG2 4.14Å; F840-T844 HydrophobicContact CE1-CG2 3.65Å; F840-T844 HydrophobicContact CZ-CG2 4.02Å; F840-T844 PolarHBondContact O-N 3.17Å; F840-T844 PolarHBondContact O-OG1 3.24Å; K841-T844 WeakPolarHBondContact CA-OG1 3.13Å; K841-T844 PolarHBondContact O-N 2.83Å; K841-T844 PolarHBondContact O-OG1 3.44Å; T844-C846 VanDerWaalsContact C-N 3.26Å; T844-C846 PolarHBondContact O-N 3.33Å; T844-N847 PolarHBondContact O-N 3.33Å; T844-Y848 HydrophobicContact CG2-CE1 3.93Å; T844-A873 HydrophobicContact CG2-CB 4.43Å
845	D	90.1	Very high	89.6	Confident	109 Å²	109	60 Å²	60	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-63.7	-31.6	-175.4	-69.2	-0.3	0	0	0	111.8	K841 N847	K841-D845 WeakPolarHBondContact CE-OD2 3.41Å; K841-D845 WeakPolarHBondContact CG-OD2 3.25Å; K841-D845 VanDerWaalsContact O-CB 3.28Å; K841-D845 WeakPolarHBondContact O-CB 3.45Å; K841-D845 PolarHBondContact O-N 2.55Å; D845-N847 VanDerWaalsContact C-N 3.32Å
846	C	86.6	Confident	89.4	Confident	47 Å²	47	55.6 Å²	55.6	32%	0.318	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	22.8	173.6	-65.9	0	0	0	0	113.7	N842 T844 Y848 T849 N850	N842-C846 WeakPolarHBondContact O-CB 3.27Å; N842-C846 PolarHBondContact O-N 3.05Å; T844-C846 VanDerWaalsContact C-N 3.26Å; T844-C846 PolarHBondContact O-N 3.33Å; C846-Y848 VanDerWaalsContact C-N 3.25Å; C846-Y848 PolarHBondContact O-N 3.15Å; C846-T849 WeakPolarHBondContact O-CB 3.42Å; C846-T849 WeakPolarHBondContact O-CG2 3.5Å; C846-T849 PolarHBondContact O-N 2.89Å; C846-T849 PolarHBondContact O-OG1 2.94Å; C846-N850 HydrophobicContact CB-CB 4.25Å; C846-N850 PolarHBondContact SG-ND2 2.84Å
847	N	84.1	Confident	89.2	Confident	124 Å²	124	56.1 Å²	56.1	66%	0.663	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	46.9	179.8	-167.3	30.3	0	0	0	112.9	T844 D845 T849	T844-N847 PolarHBondContact O-N 3.33Å; D845-N847 VanDerWaalsContact C-N 3.32Å; N847-T849 PolarHBondContact O-N 3.17Å; N847-T849 VanDerWaalsContact O-N 3.13Å
848	Y	82.8	Confident	89	Confident	71 Å²	71	53.4 Å²	53.4	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	11.8	178.3	-42.3	-70.3	0	0	0	116.1	Y843 T844 C846 L877	Y843-Y848 AromaticContact CD1-CD1 3.83Å; Y843-Y848 HydrophobicContact CD1-CD1 3.83Å; Y843-Y848 HydrophobicContact CD1-CE1 4.39Å; Y843-Y848 HydrophobicContact CD2-CD1 4.24Å; Y843-Y848 AromaticContact CE1-CD1 3.66Å; Y843-Y848 HydrophobicContact CE1-CD1 3.66Å; Y843-Y848 HydrophobicContact CE1-CE1 4.39Å; Y843-Y848 HydrophobicContact CE2-CD1 4.1Å; Y843-Y848 HydrophobicContact CE2-CG 4.42Å; Y843-Y848 WeakPolarHBondContact CE2-O 3.37Å; Y843-Y848 HydrophobicContact CG-CD1 4.13Å; Y843-Y848 AromaticContact CZ-CD1 3.8Å; Y843-Y848 VanDerWaalsContact O-CA 3.25Å; Y843-Y848 WeakPolarHBondContact O-CA 3.18Å; Y843-Y848 PolarHBondContact O-N 3.28Å; T844-Y848 HydrophobicContact CG2-CE1 3.93Å; C846-Y848 VanDerWaalsContact C-N 3.25Å; C846-Y848 PolarHBondContact O-N 3.15Å; Y848-L877 HydrophobicContact CD1-CD1 4.14Å; Y848-L877 HydrophobicContact CD1-CD2 3.82Å; Y848-L877 HydrophobicContact CD2-CD1 4.08Å; Y848-L877 HydrophobicContact CE1-CD1 4.4Å; Y848-L877 HydrophobicContact CE1-CD2 3.92Å; Y848-L877 HydrophobicContact CE2-CD1 4.35Å; Y848-L877 HydrophobicContact CG-CD1 3.95Å; Y848-L877 HydrophobicContact CG-CD2 4.44Å
849	T	76.4	Confident	89	Confident	111 Å²	111	49.9 Å²	49.9	68%	0.681	26%	0.258	S	S	*	.			trans	-78.3	-30	178.3	61.3	0	0	0	0	113.8	C846 N847	C846-T849 WeakPolarHBondContact O-CB 3.42Å; C846-T849 WeakPolarHBondContact O-CG2 3.5Å; C846-T849 PolarHBondContact O-N 2.89Å; C846-T849 PolarHBondContact O-OG1 2.94Å; N847-T849 PolarHBondContact O-N 3.17Å; N847-T849 VanDerWaalsContact O-N 3.13Å
850	N	80.2	Confident	89.1	Confident	67 Å²	67	47.9 Å²	47.9	36%	0.358	25%	0.248	S	C	.	.	S	Bend	trans	-73.6	133.1	174.9	-86.6	-21.5	0	0	0	110.6	N842 Y843 C846	N842-N850 PolarHBondContact OD1-ND2 2.94Å; Y843-N850 WeakPolarHBondContact CD2-O 3.46Å; Y843-N850 WeakPolarHBondContact CE2-O 3.37Å; C846-N850 HydrophobicContact CB-CB 4.25Å; C846-N850 PolarHBondContact SG-ND2 2.84Å
851	K	80.4	Confident	89.2	Confident	98 Å²	98	47.7 Å²	47.7	43%	0.426	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-89.2	121	-174.9	-169.2	177.1	173.9	-151	0	112.3	E807	E807-K851 VanDerWaalsContact OE1-CD 3.23Å; E807-K851 WeakPolarHBondContact OE1-CD 3.48Å; E807-K851 WeakPolarHBondContact OE1-CE 3.2Å; E807-K851 IonicContact OE1-NZ 2.66Å; E807-K851 PolarHBondContact OE1-NZ 2.99Å; E807-K851 IonicContact OE2-NZ 3.62Å
852	I	90.1	Very high	89.3	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-79.8	126.2	160.8	-58.3	163.5	0	0	0	107.9	Y843 G854 L856 Q857 V860 F861	Y843-I852 HydrophobicContact CD1-CD1 3.54Å; Y843-I852 HydrophobicContact CD2-CD1 4.29Å; Y843-I852 HydrophobicContact CD2-CG1 4.44Å; Y843-I852 HydrophobicContact CE1-CD1 4.11Å; Y843-I852 HydrophobicContact CG-CD1 3.63Å; Y843-I852 HydrophobicContact CG-CG1 4.17Å; I852-G854 PolarHBondContact O-N 3.35Å; I852-L856 HydrophobicContact CG2-CB 4.38Å; I852-Q857 HydrophobicContact CB-CG 3.96Å; I852-Q857 HydrophobicContact CG2-CB 4.49Å; I852-Q857 HydrophobicContact CG2-CG 3.75Å; I852-Q857 PolarHBondContact O-NE2 3.48Å; I852-Q857 VanDerWaalsContact O-NE2 3.11Å; I852-V860 HydrophobicContact CD1-CG1 3.81Å; I852-V860 HydrophobicContact CG2-CB 4.36Å; I852-V860 HydrophobicContact CG2-CG2 4.03Å; I852-F861 HydrophobicContact CD1-CE1 3.86Å
853	P	90.1	Very high	89.6	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.032	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-53.1	136.4	176.4	-28.2	36.2	0	0	0	112.5	D855 L856 Q857	P853-D855 PolarHBondContact O-N 3.33Å; P853-D855 VanDerWaalsContact O-N 3.1Å; P853-L856 HydrophobicContact CB-CB 4.45Å; P853-L856 HydrophobicContact CB-CD1 4.05Å; P853-L856 HydrophobicContact CB-CG 4.24Å; P853-L856 HydrophobicContact CG-CD1 4.01Å; P853-L856 PolarHBondContact O-N 2.89Å; P853-Q857 PolarHBondContact O-N 3.15Å; P853-Q857 VanDerWaalsContact O-N 3.12Å
854	G	87.8	Confident	89.8	Confident	8 Å²	8	39 Å²	39	8%	0.082	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.7	-164.7	0	0	0	0	0	115.5	I852 K889	I852-G854 PolarHBondContact O-N 3.35Å; G854-K889 PolarHBondContact O-NZ 3.23Å
855	D	89.6	Confident	90.2	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.032	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-21.7	176.2	63.6	-54.7	0	0	0	113.4	L451 Q814 R817 S818 P853	L451-D855 HydrophobicContact CD1-CB 4.09Å; Q814-D855 HydrophobicContact CB-CB 4.07Å; Q814-D855 HydrophobicContact CG-CB 4.29Å; R817-D855 IonicContact CZ-OD1 2.77Å; R817-D855 IonicContact CZ-OD2 2.75Å; R817-D855 IonicContact NE-OD2 2.71Å; R817-D855 PolarHBondContact NE-OD2 3.08Å; R817-D855 IonicContact NH2-OD1 3.36Å; R817-D855 PolarHBondContact NH2-OD1 3.03Å; R817-D855 IonicContact NH2-OD2 2.62Å; R817-D855 PolarHBondContact NH2-OD2 2.59Å; S818-D855 WeakPolarHBondContact CB-O 3.23Å; S818-D855 PolarHBondContact OG-O 3.04Å; P853-D855 PolarHBondContact O-N 3.33Å; P853-D855 VanDerWaalsContact O-N 3.1Å
856	L	93.3	Very high	90.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22	176.4	-61.4	179.1	0	0	0	112.9	W805 R817 V821 I852 P853 Q858 A859 V860	W805-L856 HydrophobicContact CB-CD1 4.3Å; W805-L856 HydrophobicContact CD2-CD1 4.46Å; W805-L856 HydrophobicContact CE3-CD1 4.1Å; R817-L856 HydrophobicContact CG-CD2 3.86Å; V821-L856 HydrophobicContact CB-CD2 4.2Å; V821-L856 HydrophobicContact CG1-CD2 4.14Å; V821-L856 HydrophobicContact CG2-CD2 4.07Å; I852-L856 HydrophobicContact CG2-CB 4.38Å; P853-L856 HydrophobicContact CB-CB 4.45Å; P853-L856 HydrophobicContact CB-CD1 4.05Å; P853-L856 HydrophobicContact CB-CG 4.24Å; P853-L856 HydrophobicContact CG-CD1 4.01Å; P853-L856 PolarHBondContact O-N 2.89Å; L856-Q858 VanDerWaalsContact C-N 3.27Å; L856-Q858 PolarHBondContact O-N 2.83Å; L856-A859 PolarHBondContact O-N 3.47Å; L856-A859 VanDerWaalsContact O-N 3.09Å; L856-V860 WeakPolarHBondContact O-CG2 3.38Å; L856-V860 PolarHBondContact O-N 3.49Å
857	Q	92.6	Very high	90.9	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-48.5	-43.7	-178.2	-81.1	174.4	-7.1	0	0	113.5	I852 P853 A859 V860 F861 K889	I852-Q857 HydrophobicContact CB-CG 3.96Å; I852-Q857 HydrophobicContact CG2-CB 4.49Å; I852-Q857 HydrophobicContact CG2-CG 3.75Å; I852-Q857 PolarHBondContact O-NE2 3.48Å; I852-Q857 VanDerWaalsContact O-NE2 3.11Å; P853-Q857 PolarHBondContact O-N 3.15Å; P853-Q857 VanDerWaalsContact O-N 3.12Å; Q857-A859 PolarHBondContact O-N 2.84Å; Q857-V860 PolarHBondContact O-N 3.37Å; Q857-F861 HydrophobicContact CB-CD2 4.24Å; Q857-F861 HydrophobicContact CB-CE2 3.82Å; Q857-F861 HydrophobicContact CB-CZ 4.21Å; Q857-F861 HydrophobicContact CG-CE2 4.15Å; Q857-F861 HydrophobicContact CG-CZ 4.09Å; Q857-F861 WeakPolarHBondContact O-CB 3.36Å; Q857-F861 WeakPolarHBondContact O-CD2 3.13Å; Q857-F861 WeakPolarHBondContact O-CG 3.41Å; Q857-F861 PolarHBondContact O-N 3.03Å; Q857-K889 HydrophobicContact CB-CD 3.99Å
858	Q	91.8	Very high	91.4	Very high	69 Å²	69	33.7 Å²	33.7	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-45	-179.4	-172.1	-179.2	-63.9	0	0	112.1	L856 A862 K892	L856-Q858 VanDerWaalsContact C-N 3.27Å; L856-Q858 PolarHBondContact O-N 2.83Å; Q858-A862 VanDerWaalsContact O-CB 3.25Å; Q858-A862 WeakPolarHBondContact O-CB 3.17Å; Q858-A862 PolarHBondContact O-N 2.89Å; Q858-K892 HydrophobicContact CG-CB 4.42Å; Q858-K892 HydrophobicContact CG-CD 4.15Å
859	A	95.7	Very high	92	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-43	178.4	0	0	0	0	0	111.6	V821 L856 Q857 A862 V863	V821-A859 HydrophobicContact CG1-CB 3.93Å; L856-A859 PolarHBondContact O-N 3.47Å; L856-A859 VanDerWaalsContact O-N 3.09Å; Q857-A859 PolarHBondContact O-N 2.84Å; A859-A862 PolarHBondContact O-N 3.48Å; A859-V863 WeakPolarHBondContact O-CG2 3.41Å; A859-V863 PolarHBondContact O-N 3.02Å; A859-V863 VanDerWaalsContact O-N 3.09Å
860	V	97.2	Very high	92.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-47.9	178.1	175.7	0	0	0	0	111.3	W805 A836 L839 F840 I852 L856 Q857 V863 A864	W805-V860 HydrophobicContact CZ3-CG2 4.03Å; A836-V860 HydrophobicContact CB-CG2 4.43Å; L839-V860 HydrophobicContact CB-CG1 4.43Å; L839-V860 HydrophobicContact CB-CG2 4.48Å; L839-V860 HydrophobicContact CD1-CG2 4.41Å; F840-V860 HydrophobicContact CB-CG1 3.8Å; F840-V860 HydrophobicContact CD2-CG1 4.26Å; I852-V860 HydrophobicContact CD1-CG1 3.81Å; I852-V860 HydrophobicContact CG2-CB 4.36Å; I852-V860 HydrophobicContact CG2-CG2 4.03Å; L856-V860 WeakPolarHBondContact O-CG2 3.38Å; L856-V860 PolarHBondContact O-N 3.49Å; Q857-V860 PolarHBondContact O-N 3.37Å; V860-V863 PolarHBondContact O-N 3.15Å; V860-A864 WeakPolarHBondContact O-CB 3.39Å; V860-A864 PolarHBondContact O-N 2.92Å
861	F	96.9	Very high	93.8	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-36.5	179.3	-61	-25.4	0	0	0	112.7	F840 Y843 I852 Q857 A864 A865 L874 K889 M890	F840-F861 AromaticContact CD2-CD1 3.94Å; F840-F861 HydrophobicContact CD2-CD1 3.94Å; F840-F861 HydrophobicContact CD2-CE1 4.23Å; F840-F861 AromaticContact CE2-CD1 3.91Å; F840-F861 HydrophobicContact CE2-CD1 3.91Å; F840-F861 HydrophobicContact CE2-CE1 4.15Å; Y843-F861 HydrophobicContact CD1-CE1 4.24Å; Y843-F861 AromaticContact CE1-CE1 3.95Å; Y843-F861 HydrophobicContact CE1-CE1 3.95Å; Y843-F861 HydrophobicContact CE1-CZ 4.22Å; I852-F861 HydrophobicContact CD1-CE1 3.86Å; Q857-F861 HydrophobicContact CB-CD2 4.24Å; Q857-F861 HydrophobicContact CB-CE2 3.82Å; Q857-F861 HydrophobicContact CB-CZ 4.21Å; Q857-F861 HydrophobicContact CG-CE2 4.15Å; Q857-F861 HydrophobicContact CG-CZ 4.09Å; Q857-F861 WeakPolarHBondContact O-CB 3.36Å; Q857-F861 WeakPolarHBondContact O-CD2 3.13Å; Q857-F861 WeakPolarHBondContact O-CG 3.41Å; Q857-F861 PolarHBondContact O-N 3.03Å; F861-A864 PolarHBondContact O-N 3.16Å; F861-A865 WeakPolarHBondContact O-CB 3.36Å; F861-A865 PolarHBondContact O-N 3.37Å; F861-L874 HydrophobicContact CB-CD1 4.38Å; F861-L874 HydrophobicContact CB-CD2 3.95Å; F861-L874 HydrophobicContact CD1-CD1 3.9Å; F861-L874 HydrophobicContact CD2-CD1 4.35Å; F861-L874 HydrophobicContact CE1-CD1 4.25Å; F861-L874 HydrophobicContact CG-CD1 3.97Å; F861-L874 HydrophobicContact CG-CD2 4.44Å; F861-K889 HydrophobicContact CD2-CB 4.28Å; F861-K889 HydrophobicContact CE2-CB 4.28Å; F861-M890 HydrophobicContact CD2-CG 4.1Å; F861-M890 HydrophobicContact CE2-CG 3.71Å; F861-M890 HydrophobicContact CZ-CG 4.25Å
862	A	96.8	Very high	94.5	Very high	22 Å²	22	30 Å²	30	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-36.5	176.1	0	0	0	0	0	112.9	Q858 A859 Q866	Q858-A862 VanDerWaalsContact O-CB 3.25Å; Q858-A862 WeakPolarHBondContact O-CB 3.17Å; Q858-A862 PolarHBondContact O-N 2.89Å; A859-A862 PolarHBondContact O-N 3.48Å; A862-Q866 PolarHBondContact O-NE2 2.92Å
863	V	97.7	Very high	94.7	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-72.2	-42.1	173.4	172.5	0	0	0	0	111.4	C825 V833 A836 K837 A859 V860 A865 Q866	C825-V863 HydrophobicContact CB-CG2 3.75Å; V833-V863 HydrophobicContact CG1-CG1 4.04Å; A836-V863 HydrophobicContact CB-CB 3.86Å; A836-V863 HydrophobicContact CB-CG1 3.93Å; A836-V863 HydrophobicContact CB-CG2 3.93Å; K837-V863 HydrophobicContact CG-CG1 3.83Å; A859-V863 WeakPolarHBondContact O-CG2 3.41Å; A859-V863 PolarHBondContact O-N 3.02Å; A859-V863 VanDerWaalsContact O-N 3.09Å; V860-V863 PolarHBondContact O-N 3.15Å; V863-A865 PolarHBondContact O-N 2.64Å; V863-Q866 PolarHBondContact O-N 3.34Å
864	A	96.3	Very high	95	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-46.4	178.5	0	0	0	0	0	112	F840 V860 F861 Q866 S867 S870	F840-A864 HydrophobicContact CB-CB 3.98Å; F840-A864 HydrophobicContact CD1-CB 3.56Å; F840-A864 HydrophobicContact CD2-CB 3.64Å; F840-A864 HydrophobicContact CE1-CB 3.9Å; F840-A864 HydrophobicContact CE2-CB 3.98Å; F840-A864 HydrophobicContact CG-CB 3.41Å; F840-A864 VanDerWaalsContact CG-CB 3.41Å; F840-A864 HydrophobicContact CZ-CB 4.09Å; V860-A864 WeakPolarHBondContact O-CB 3.39Å; V860-A864 PolarHBondContact O-N 2.92Å; F861-A864 PolarHBondContact O-N 3.16Å; A864-Q866 PolarHBondContact O-N 3.38Å; A864-S867 PolarHBondContact O-N 3.45Å; A864-S867 PolarHBondContact O-OG 2.87Å; A864-S867 VanDerWaalsContact O-OG 3.07Å; A864-S870 VanDerWaalsContact O-CB 3.22Å; A864-S870 WeakPolarHBondContact O-CB 3.17Å
865	A	96.9	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.1	-179.1	0	0	0	0	0	115.7	F861 V863 S867 L874 G893 S897	F861-A865 WeakPolarHBondContact O-CB 3.36Å; F861-A865 PolarHBondContact O-N 3.37Å; V863-A865 PolarHBondContact O-N 2.64Å; A865-S867 VanDerWaalsContact C-N 3.32Å; A865-L874 HydrophobicContact CB-CD2 4.38Å; A865-G893 WeakPolarHBondContact CB-O 3.34Å; A865-S897 VanDerWaalsContact O-CB 3.28Å; A865-S897 WeakPolarHBondContact O-CB 3.31Å; A865-S897 PolarHBondContact O-OG 3.43Å
866	Q	95.7	Very high	95.6	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.4	170.2	-51.1	-50.2	-41	0	0	113.3	A862 V863 A864 S896	A862-Q866 PolarHBondContact O-NE2 2.92Å; V863-Q866 PolarHBondContact O-N 3.34Å; A864-Q866 PolarHBondContact O-N 3.38Å; Q866-S896 PolarHBondContact NE2-O 2.88Å
867	S	95.8	Very high	95.5	Very high	52 Å²	52	36.1 Å²	36.1	36%	0.364	20%	0.197	S	C	.	.	S	Bend	trans	-114.1	137.8	174.1	63	0	0	0	0	111.3	A864 A865 D869 S870 W871	A864-S867 PolarHBondContact O-N 3.45Å; A864-S867 PolarHBondContact O-OG 2.87Å; A864-S867 VanDerWaalsContact O-OG 3.07Å; A865-S867 VanDerWaalsContact C-N 3.32Å; S867-D869 PolarHBondContact O-N 3.25Å; S867-S870 PolarHBondContact O-N 2.79Å; S867-S870 WeakPolarHBondContact OG-CB 3.43Å; S867-S870 PolarHBondContact OG-OG 3.09Å; S867-W871 VanDerWaalsContact O-CB 3.31Å; S867-W871 WeakPolarHBondContact O-CB 3.32Å; S867-W871 PolarHBondContact O-N 3.31Å
868	E	95.5	Very high	95.5	Very high	60 Å²	60	35.8 Å²	35.8	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-51.5	-51.1	-177.8	-178.4	85.8	-168.2	0	0	112.5	W871 K872 R901 H902	E868-W871 PolarHBondContact O-N 2.82Å; E868-K872 HydrophobicContact CG-CD 4.41Å; E868-K872 WeakPolarHBondContact O-CG 3.36Å; E868-K872 PolarHBondContact O-N 3.16Å; E868-K872 WeakPolarHBondContact OE1-CE 3.28Å; E868-K872 IonicContact OE1-NZ 3.4Å; E868-K872 PolarHBondContact OE1-NZ 3.19Å; E868-R901 IonicContact OE2-CZ 3.62Å; E868-R901 IonicContact OE2-NH1 2.69Å; E868-R901 IonicContact OE2-NH2 3.66Å; E868-R901 PolarHBondContact OE2-NH2 2.93Å; E868-H902 IonicContact OE2-CE1 2.77Å; E868-H902 IonicContact OE2-NE2 2.65Å
869	D	95.3	Very high	95.4	Very high	130 Å²	130	35.8 Å²	35.8	70%	0.695	21%	0.207	S	C	*	.	H	α-helix	trans	-66.4	-43.2	-175.4	-58.6	-35.1	0	0	0	111.9	S867 W871 K872 A873	S867-D869 PolarHBondContact O-N 3.25Å; D869-W871 VanDerWaalsContact C-N 3.35Å; D869-K872 PolarHBondContact O-N 3.19Å; D869-A873 WeakPolarHBondContact O-CB 3.39Å; D869-A873 PolarHBondContact O-N 3.24Å
870	S	95.9	Very high	95	Very high	29 Å²	29	40.3 Å²	40.3	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-70.4	-32.2	177.4	-58.5	0	0	0	0	112.2	A864 S867 A873 L874	A864-S870 VanDerWaalsContact O-CB 3.22Å; A864-S870 WeakPolarHBondContact O-CB 3.17Å; S867-S870 PolarHBondContact O-N 2.79Å; S867-S870 WeakPolarHBondContact OG-CB 3.43Å; S867-S870 PolarHBondContact OG-OG 3.09Å; S870-A873 PolarHBondContact O-N 3.46Å; S870-L874 VanDerWaalsContact O-CB 3.25Å; S870-L874 WeakPolarHBondContact O-CB 3.21Å; S870-L874 PolarHBondContact O-N 3.42Å
871	W	97.4	Very high	94.5	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-44.3	174	-170.3	100.4	0	0	0	110.7	S867 E868 D869 L874 L875 L894 H902 W905	S867-W871 VanDerWaalsContact O-CB 3.31Å; S867-W871 WeakPolarHBondContact O-CB 3.32Å; S867-W871 PolarHBondContact O-N 3.31Å; E868-W871 PolarHBondContact O-N 2.82Å; D869-W871 VanDerWaalsContact C-N 3.35Å; W871-L874 PolarHBondContact O-N 3.24Å; W871-L875 HydrophobicContact CE3-CB 4.5Å; W871-L875 HydrophobicContact CE3-CD2 4.49Å; W871-L875 HydrophobicContact CH2-CD2 3.81Å; W871-L875 HydrophobicContact CZ3-CB 4.33Å; W871-L875 HydrophobicContact CZ3-CD2 3.59Å; W871-L875 WeakPolarHBondContact O-CB 2.98Å; W871-L875 PolarHBondContact O-N 3.15Å; W871-L894 HydrophobicContact CD2-CD2 3.83Å; W871-L894 HydrophobicContact CG-CD2 3.93Å; W871-L894 HydrophobicContact CZ2-CD2 4.2Å; W871-L894 PolarHBondContact NE1-O 2.73Å; W871-L894 VanDerWaalsContact NE1-O 3.09Å; W871-L894 WeakPolarHBondContact O-CD2 3.44Å; W871-H902 AromaticContact CD1-ND1 3.84Å; W871-H902 HydrophobicContact CD2-CB 4.44Å; W871-H902 AromaticContact CD2-CD2 3.48Å; W871-H902 VanDerWaalsContact CD2-CD2 3.48Å; W871-H902 AromaticContact CD2-CE1 3.95Å; W871-H902 AromaticContact CD2-CG 3.74Å; W871-H902 AromaticContact CD2-ND1 3.99Å; W871-H902 AromaticContact CD2-NE2 3.64Å; W871-H902 AromaticContact CE2-CD2 3.57Å; W871-H902 AromaticContact CE2-CG 3.54Å; W871-H902 AromaticContact CE3-CD2 3.51Å; W871-H902 AromaticContact CE3-NE2 3.54Å; W871-H902 AromaticContact CG-CE1 3.85Å; W871-H902 AromaticContact CG-ND1 3.86Å; W871-H902 AromaticContact CH2-CD2 3.78Å; W871-H902 HydrophobicContact CZ2-CB 3.83Å; W871-H902 AromaticContact CZ2-CD2 3.74Å; W871-H902 AromaticContact CZ2-CG 3.91Å; W871-H902 AromaticContact CZ3-CD2 3.66Å; W871-H902 AromaticContact NE1-CG 3.72Å; W871-W905 HydrophobicContact CH2-CD2 4.04Å; W871-W905 AromaticContact CH2-CE3 3.54Å; W871-W905 HydrophobicContact CH2-CE3 3.54Å; W871-W905 AromaticContact CH2-CZ3 3.89Å; W871-W905 HydrophobicContact CH2-CZ3 3.89Å; W871-W905 AromaticContact CZ2-CE3 3.93Å; W871-W905 HydrophobicContact CZ2-CE3 3.93Å; W871-W905 HydrophobicContact CZ2-CZ3 4.28Å
872	K	96.3	Very high	93.7	Very high	100 Å²	100	45.1 Å²	45.1	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-43	173.6	-74	171.7	-177.7	158.6	0	112.4	E868 D869 L875 T876	E868-K872 HydrophobicContact CG-CD 4.41Å; E868-K872 WeakPolarHBondContact O-CG 3.36Å; E868-K872 PolarHBondContact O-N 3.16Å; E868-K872 WeakPolarHBondContact OE1-CE 3.28Å; E868-K872 IonicContact OE1-NZ 3.4Å; E868-K872 PolarHBondContact OE1-NZ 3.19Å; D869-K872 PolarHBondContact O-N 3.19Å; K872-L875 PolarHBondContact O-N 2.89Å; K872-T876 WeakPolarHBondContact O-CB 3.34Å; K872-T876 PolarHBondContact O-N 2.85Å; K872-T876 PolarHBondContact O-OG1 2.74Å
873	A	95.1	Very high	93.1	Very high	23 Å²	23	44.6 Å²	44.6	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-46.3	175.1	0	0	0	0	0	111.4	T844 D869 S870 L875 T876 L877	T844-A873 HydrophobicContact CG2-CB 4.43Å; D869-A873 WeakPolarHBondContact O-CB 3.39Å; D869-A873 PolarHBondContact O-N 3.24Å; S870-A873 PolarHBondContact O-N 3.46Å; A873-L875 PolarHBondContact O-N 3.41Å; A873-T876 WeakPolarHBondContact O-CB 3.46Å; A873-T876 PolarHBondContact O-N 3.2Å; A873-L877 WeakPolarHBondContact O-CB 3.29Å; A873-L877 PolarHBondContact O-N 3.25Å
874	L	95.8	Very high	92.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-36.7	177.2	-175	63.4	0	0	0	112.6	F840 F861 A865 S870 W871 L877 Y878 M890 L894	F840-L874 HydrophobicContact CE2-CD1 4.3Å; F840-L874 HydrophobicContact CZ-CB 4.26Å; F861-L874 HydrophobicContact CB-CD1 4.38Å; F861-L874 HydrophobicContact CB-CD2 3.95Å; F861-L874 HydrophobicContact CD1-CD1 3.9Å; F861-L874 HydrophobicContact CD2-CD1 4.35Å; F861-L874 HydrophobicContact CE1-CD1 4.25Å; F861-L874 HydrophobicContact CG-CD1 3.97Å; F861-L874 HydrophobicContact CG-CD2 4.44Å; A865-L874 HydrophobicContact CB-CD2 4.38Å; S870-L874 VanDerWaalsContact O-CB 3.25Å; S870-L874 WeakPolarHBondContact O-CB 3.21Å; S870-L874 PolarHBondContact O-N 3.42Å; W871-L874 PolarHBondContact O-N 3.24Å; L874-L877 PolarHBondContact O-N 3.38Å; L874-Y878 WeakPolarHBondContact O-CB 3.3Å; L874-Y878 PolarHBondContact O-N 3.49Å; L874-M890 HydrophobicContact CD1-CB 3.83Å; L874-M890 HydrophobicContact CD1-CG 3.76Å; L874-M890 HydrophobicContact CG-CB 4.35Å; L874-L894 HydrophobicContact CB-CD2 3.95Å; L874-L894 HydrophobicContact CD2-CD2 3.9Å; L874-L894 HydrophobicContact CD2-CG 3.86Å; L874-L894 HydrophobicContact CG-CD2 3.9Å; L874-L894 HydrophobicContact CG-CG 3.97Å
875	L	96	Very high	92	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-40.7	174.5	176.3	59.8	0	0	0	111.6	W871 K872 A873 L877 Y878 A879 L894 W905	W871-L875 HydrophobicContact CE3-CB 4.5Å; W871-L875 HydrophobicContact CE3-CD2 4.49Å; W871-L875 HydrophobicContact CH2-CD2 3.81Å; W871-L875 HydrophobicContact CZ3-CB 4.33Å; W871-L875 HydrophobicContact CZ3-CD2 3.59Å; W871-L875 WeakPolarHBondContact O-CB 2.98Å; W871-L875 PolarHBondContact O-N 3.15Å; K872-L875 PolarHBondContact O-N 2.89Å; A873-L875 PolarHBondContact O-N 3.41Å; L875-L877 VanDerWaalsContact C-N 3.29Å; L875-L877 PolarHBondContact O-N 2.89Å; L875-Y878 HydrophobicContact CD1-CD1 4.49Å; L875-Y878 WeakPolarHBondContact O-CB 3.41Å; L875-Y878 PolarHBondContact O-N 2.78Å; L875-A879 PolarHBondContact O-N 2.86Å; L875-L894 HydrophobicContact CB-CD1 4.36Å; L875-L894 HydrophobicContact CB-CD2 4.04Å; L875-L894 HydrophobicContact CD1-CD1 4.16Å; L875-W905 HydrophobicContact CD1-CH2 3.6Å; L875-W905 HydrophobicContact CD1-CZ3 4.03Å; L875-W905 HydrophobicContact CD2-CH2 3.73Å; L875-W905 HydrophobicContact CD2-CZ2 3.99Å; L875-W905 HydrophobicContact CD2-CZ3 4.16Å; L875-W905 HydrophobicContact CG-CH2 4.34Å
876	T	93.4	Very high	91.5	Very high	87 Å²	87	47 Å²	47	53%	0.534	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-41.2	175.6	-56.4	0	0	0	0	110.8	K872 A873 A879 T880	K872-T876 WeakPolarHBondContact O-CB 3.34Å; K872-T876 PolarHBondContact O-N 2.85Å; K872-T876 PolarHBondContact O-OG1 2.74Å; A873-T876 WeakPolarHBondContact O-CB 3.46Å; A873-T876 PolarHBondContact O-N 3.2Å; T876-A879 PolarHBondContact O-N 2.9Å; T876-T880 PolarHBondContact O-N 2.93Å; T876-T880 PolarHBondContact O-OG1 2.97Å; T876-T880 VanDerWaalsContact O-OG1 3.04Å
877	L	91.9	Very high	91.3	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-40.6	174.8	-176.8	63.9	0	0	0	112.1	Y843 Y848 A873 L874 L875 A879 T880 T881 M890	Y843-L877 HydrophobicContact CE1-CD2 3.59Å; Y848-L877 HydrophobicContact CD1-CD1 4.14Å; Y848-L877 HydrophobicContact CD1-CD2 3.82Å; Y848-L877 HydrophobicContact CD2-CD1 4.08Å; Y848-L877 HydrophobicContact CE1-CD1 4.4Å; Y848-L877 HydrophobicContact CE1-CD2 3.92Å; Y848-L877 HydrophobicContact CE2-CD1 4.35Å; Y848-L877 HydrophobicContact CG-CD1 3.95Å; Y848-L877 HydrophobicContact CG-CD2 4.44Å; A873-L877 WeakPolarHBondContact O-CB 3.29Å; A873-L877 PolarHBondContact O-N 3.25Å; L874-L877 PolarHBondContact O-N 3.38Å; L875-L877 VanDerWaalsContact C-N 3.29Å; L875-L877 PolarHBondContact O-N 2.89Å; L877-A879 VanDerWaalsContact C-N 3.29Å; L877-A879 PolarHBondContact O-N 3.15Å; L877-T880 PolarHBondContact O-N 3.05Å; L877-T880 PolarHBondContact O-OG1 3.25Å; L877-T881 VanDerWaalsContact O-CB 3.25Å; L877-T881 WeakPolarHBondContact O-CB 3.26Å; L877-T881 PolarHBondContact O-N 3.3Å; L877-T881 PolarHBondContact O-OG1 2.98Å; L877-M890 HydrophobicContact CD1-CE 4.45Å; L877-M890 HydrophobicContact CD2-CE 3.55Å; L877-M890 HydrophobicContact CD2-SD 4.17Å; L877-M890 HydrophobicContact CG-CE 3.63Å; L877-M890 HydrophobicContact CG-SD 3.93Å
878	Y	93.2	Very high	91.1	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-40.2	174.7	171.9	-85.3	0	0	0	111.9	L874 L875 K887 M890 L891 L894 I916	L874-Y878 WeakPolarHBondContact O-CB 3.3Å; L874-Y878 PolarHBondContact O-N 3.49Å; L875-Y878 HydrophobicContact CD1-CD1 4.49Å; L875-Y878 WeakPolarHBondContact O-CB 3.41Å; L875-Y878 PolarHBondContact O-N 2.78Å; Y878-K887 HydrophobicContact CD2-CB 3.86Å; Y878-K887 HydrophobicContact CD2-CG 4.2Å; Y878-K887 WeakPolarHBondContact CD2-O 3.2Å; Y878-K887 HydrophobicContact CE2-CB 3.69Å; Y878-K887 HydrophobicContact CE2-CG 4.25Å; Y878-K887 WeakPolarHBondContact O-CE 3.47Å; Y878-M890 HydrophobicContact CD2-CB 4.29Å; Y878-L891 HydrophobicContact CD2-CB 4.35Å; Y878-L891 HydrophobicContact CE2-CB 4.01Å; Y878-L891 HydrophobicContact CE2-CD1 4.2Å; Y878-L891 HydrophobicContact CE2-CG 4.5Å; Y878-L894 HydrophobicContact CG-CD1 4.47Å; Y878-I916 HydrophobicContact CE1-CG1 3.75Å
879	A	89.6	Confident	91	Very high	69 Å²	69	44.7 Å²	44.7	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-70.7	-27.9	-179.4	0	0	0	0	0	113.7	L875 T876 L877	L875-A879 PolarHBondContact O-N 2.86Å; T876-A879 PolarHBondContact O-N 2.9Å; L877-A879 VanDerWaalsContact C-N 3.29Å; L877-A879 PolarHBondContact O-N 3.15Å
880	T	86.4	Confident	91	Very high	100 Å²	100	38.5 Å²	38.5	61%	0.613	22%	0.216	S	C	*	.	H	α-helix	trans	-98.2	-19.1	-178.9	53.6	0	0	0	0	113.8	T876 L877	T876-T880 PolarHBondContact O-N 2.93Å; T876-T880 PolarHBondContact O-OG1 2.97Å; T876-T880 VanDerWaalsContact O-OG1 3.04Å; L877-T880 PolarHBondContact O-N 3.05Å; L877-T880 PolarHBondContact O-OG1 3.25Å
881	T	86.6	Confident	91	Very high	20 Å²	20	37.2 Å²	37.2	12%	0.123	21%	0.207	C	C	.	.			trans	-71	133.8	179	-64.6	0	0	0	0	111.4	L877 N883 Q886 K887 M890	L877-T881 VanDerWaalsContact O-CB 3.25Å; L877-T881 WeakPolarHBondContact O-CB 3.26Å; L877-T881 PolarHBondContact O-N 3.3Å; L877-T881 PolarHBondContact O-OG1 2.98Å; T881-N883 HydrophobicContact CG2-CB 4.28Å; T881-Q886 HydrophobicContact CG2-CB 4.11Å; T881-K887 HydrophobicContact CG2-CG 3.92Å; T881-K887 WeakPolarHBondContact O-CD 3.41Å; T881-M890 HydrophobicContact CG2-CE 4.19Å
882	T	80.9	Confident	91	Very high	83 Å²	83	39.5 Å²	39.5	51%	0.509	22%	0.217	S	C	.	.			trans	-101.2	-4	179.9	55	0	0	0	0	114.2	K385	K385-T882 VanDerWaalsContact CE-O 3.28Å; K385-T882 WeakPolarHBondContact CE-O 3.33Å
883	N	83.1	Confident	91	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.059	20%	0.197	C	C	.	.			trans	-98.9	114.5	177.8	175.8	-41.6	0	0	0	110.5	D445 T881 A885 Q886 K887	D445-N883 WeakPolarHBondContact CB-ND2 3.2Å; T881-N883 HydrophobicContact CG2-CB 4.28Å; N883-A885 PolarHBondContact O-N 3.49Å; N883-A885 WeakPolarHBondContact OD1-CB 3.4Å; N883-A885 PolarHBondContact OD1-N 3.45Å; N883-Q886 HydrophobicContact CB-CB 4.2Å; N883-Q886 HydrophobicContact CB-CG 4.23Å; N883-Q886 PolarHBondContact O-N 3.03Å; N883-Q886 PolarHBondContact OD1-N 2.8Å; N883-K887 WeakPolarHBondContact O-CG 3.35Å; N883-K887 PolarHBondContact O-N 3.24Å
884	D	86.1	Confident	91.2	Very high	18 Å²	18	33.7 Å²	33.7	10%	0.096	19%	0.188	C	C	.	.	H	α-helix	trans	-73.9	-26.6	-172	-52.6	-76.2	0	0	0	113.8	K385 T440 Q886 K887 R888	K385-D884 IonicContact NZ-OD1 2.93Å; K385-D884 IonicContact NZ-OD2 3.97Å; K385-D884 PolarHBondContact NZ-OD2 2.68Å; T440-D884 HydrophobicContact CG2-CB 3.67Å; D884-Q886 VanDerWaalsContact C-N 3.35Å; D884-K887 PolarHBondContact O-N 2.87Å; D884-R888 VanDerWaalsContact O-CB 3.29Å; D884-R888 WeakPolarHBondContact O-CB 3.32Å; D884-R888 PolarHBondContact O-N 2.75Å
885	A	84.4	Confident	91.3	Very high	14 Å²	14	33.8 Å²	33.8	12%	0.116	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-40.3	173.8	0	0	0	0	0	110.6	E452 N883 R888 K889	E452-A885 WeakPolarHBondContact OE1-CB 3.44Å; N883-A885 PolarHBondContact O-N 3.49Å; N883-A885 WeakPolarHBondContact OD1-CB 3.4Å; N883-A885 PolarHBondContact OD1-N 3.45Å; A885-R888 PolarHBondContact O-N 2.95Å; A885-K889 WeakPolarHBondContact O-CG 3.37Å; A885-K889 PolarHBondContact O-N 2.76Å
886	Q	87.1	Confident	91.3	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-47.2	170.9	-68.5	-177.1	-0.2	0	0	111.8	T881 N883 D884 R888 K889 M890	T881-Q886 HydrophobicContact CG2-CB 4.11Å; N883-Q886 HydrophobicContact CB-CB 4.2Å; N883-Q886 HydrophobicContact CB-CG 4.23Å; N883-Q886 PolarHBondContact O-N 3.03Å; N883-Q886 PolarHBondContact OD1-N 2.8Å; D884-Q886 VanDerWaalsContact C-N 3.35Å; Q886-R888 PolarHBondContact O-N 3.23Å; Q886-K889 WeakPolarHBondContact O-CB 3.33Å; Q886-K889 PolarHBondContact O-N 2.99Å; Q886-M890 HydrophobicContact CB-CE 4.27Å; Q886-M890 WeakPolarHBondContact O-CG 3.48Å; Q886-M890 PolarHBondContact O-N 2.82Å
887	K	91.3	Very high	91.4	Very high	38 Å²	38	29.5 Å²	29.5	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-54	-41.2	174.7	-71.2	-180	80	171.8	0	111.9	Y878 T881 N883 D884 K889 M890 L891	Y878-K887 HydrophobicContact CD2-CB 3.86Å; Y878-K887 HydrophobicContact CD2-CG 4.2Å; Y878-K887 WeakPolarHBondContact CD2-O 3.2Å; Y878-K887 HydrophobicContact CE2-CB 3.69Å; Y878-K887 HydrophobicContact CE2-CG 4.25Å; Y878-K887 WeakPolarHBondContact O-CE 3.47Å; T881-K887 HydrophobicContact CG2-CG 3.92Å; T881-K887 WeakPolarHBondContact O-CD 3.41Å; N883-K887 WeakPolarHBondContact O-CG 3.35Å; N883-K887 PolarHBondContact O-N 3.24Å; D884-K887 PolarHBondContact O-N 2.87Å; K887-K889 VanDerWaalsContact C-N 3.34Å; K887-K889 PolarHBondContact O-N 3.41Å; K887-M890 PolarHBondContact O-N 2.73Å; K887-L891 VanDerWaalsContact O-CB 3.28Å; K887-L891 WeakPolarHBondContact O-CB 3.45Å; K887-L891 PolarHBondContact O-N 3.16Å
888	R	92.3	Very high	91.5	Very high	98 Å²	98	32.7 Å²	32.7	37%	0.37	18%	0.179	S	C	.	.	H	α-helix	trans	-63.5	-36.4	178.4	-163.2	171.1	-159.9	-158.7	-1.7	112.7	D884 A885 Q886 K892 E920 L923	D884-R888 VanDerWaalsContact O-CB 3.29Å; D884-R888 WeakPolarHBondContact O-CB 3.32Å; D884-R888 PolarHBondContact O-N 2.75Å; A885-R888 PolarHBondContact O-N 2.95Å; Q886-R888 PolarHBondContact O-N 3.23Å; R888-K892 WeakPolarHBondContact O-CG 3.41Å; R888-K892 PolarHBondContact O-N 2.75Å; R888-K892 VanDerWaalsContact O-N 3.11Å; R888-E920 IonicContact NE-OE1 3.95Å; R888-E920 IonicContact NE-OE2 2.75Å; R888-L923 HydrophobicContact CG-CD2 3.5Å
889	K	92.2	Very high	91.6	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-43.2	172.9	-62.8	172.6	-164	177.1	0	111.9	E452 G854 Q857 F861 A885 Q886 K887 L891 K892 G893	E452-K889 WeakPolarHBondContact OE1-CE 3.39Å; E452-K889 IonicContact OE1-NZ 3.69Å; E452-K889 PolarHBondContact OE1-NZ 3Å; E452-K889 IonicContact OE2-NZ 3.71Å; E452-K889 PolarHBondContact OE2-NZ 2.83Å; G854-K889 PolarHBondContact O-NZ 3.23Å; Q857-K889 HydrophobicContact CB-CD 3.99Å; F861-K889 HydrophobicContact CD2-CB 4.28Å; F861-K889 HydrophobicContact CE2-CB 4.28Å; A885-K889 WeakPolarHBondContact O-CG 3.37Å; A885-K889 PolarHBondContact O-N 2.76Å; Q886-K889 WeakPolarHBondContact O-CB 3.33Å; Q886-K889 PolarHBondContact O-N 2.99Å; K887-K889 VanDerWaalsContact C-N 3.34Å; K887-K889 PolarHBondContact O-N 3.41Å; K889-L891 VanDerWaalsContact C-N 3.29Å; K889-L891 PolarHBondContact O-N 2.74Å; K889-K892 PolarHBondContact O-N 3.48Å; K889-G893 PolarHBondContact O-N 3.34Å
890	M	95.2	Very high	91.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-41.9	174.6	-62.9	170.6	-174.8	0	0	110.8	F861 L874 L877 Y878 T881 Q886 K887 G893 L894	F861-M890 HydrophobicContact CD2-CG 4.1Å; F861-M890 HydrophobicContact CE2-CG 3.71Å; F861-M890 HydrophobicContact CZ-CG 4.25Å; L874-M890 HydrophobicContact CD1-CB 3.83Å; L874-M890 HydrophobicContact CD1-CG 3.76Å; L874-M890 HydrophobicContact CG-CB 4.35Å; L877-M890 HydrophobicContact CD1-CE 4.45Å; L877-M890 HydrophobicContact CD2-CE 3.55Å; L877-M890 HydrophobicContact CD2-SD 4.17Å; L877-M890 HydrophobicContact CG-CE 3.63Å; L877-M890 HydrophobicContact CG-SD 3.93Å; Y878-M890 HydrophobicContact CD2-CB 4.29Å; T881-M890 HydrophobicContact CG2-CE 4.19Å; Q886-M890 HydrophobicContact CB-CE 4.27Å; Q886-M890 WeakPolarHBondContact O-CG 3.48Å; Q886-M890 PolarHBondContact O-N 2.82Å; K887-M890 PolarHBondContact O-N 2.73Å; M890-G893 CarbonylContact O-C 3.54Å; M890-G893 WeakPolarHBondContact O-CA 3.24Å; M890-G893 PolarHBondContact O-N 2.96Å; M890-L894 WeakPolarHBondContact O-CG 3.5Å; M890-L894 PolarHBondContact O-N 3.07Å
891	L	97.1	Very high	92.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-42.2	179.2	-170.6	67.2	0	0	0	112.5	Y878 K887 K889 G893 L894 A895 I906 I916 E920 I924	Y878-L891 HydrophobicContact CD2-CB 4.35Å; Y878-L891 HydrophobicContact CE2-CB 4.01Å; Y878-L891 HydrophobicContact CE2-CD1 4.2Å; Y878-L891 HydrophobicContact CE2-CG 4.5Å; K887-L891 VanDerWaalsContact O-CB 3.28Å; K887-L891 WeakPolarHBondContact O-CB 3.45Å; K887-L891 PolarHBondContact O-N 3.16Å; K889-L891 VanDerWaalsContact C-N 3.29Å; K889-L891 PolarHBondContact O-N 2.74Å; L891-G893 VanDerWaalsContact C-N 3.26Å; L891-G893 PolarHBondContact O-N 2.87Å; L891-L894 PolarHBondContact O-N 3.11Å; L891-A895 VanDerWaalsContact O-CB 3.22Å; L891-A895 WeakPolarHBondContact O-CB 3.4Å; L891-A895 PolarHBondContact O-N 2.84Å; L891-I906 HydrophobicContact CD1-CD1 3.85Å; L891-I906 HydrophobicContact CD1-CG1 4.35Å; L891-I916 HydrophobicContact CD1-CD1 3.72Å; L891-I916 HydrophobicContact CD1-CG1 4.11Å; L891-I916 HydrophobicContact CD1-CG2 4.07Å; L891-I916 HydrophobicContact CD2-CG2 3.98Å; L891-E920 HydrophobicContact CD2-CB 3.51Å; L891-E920 HydrophobicContact CD2-CG 3.67Å; L891-E920 WeakPolarHBondContact CD2-OE2 3.32Å; L891-I924 HydrophobicContact CD1-CD1 4.28Å; L891-I924 HydrophobicContact CD1-CG1 4.24Å; L891-I924 HydrophobicContact CD2-CD1 4.12Å; L891-I924 HydrophobicContact CD2-CG1 3.86Å; L891-I924 HydrophobicContact CG-CD1 4.5Å; L891-I924 HydrophobicContact CG-CG1 4.03Å
892	K	96.8	Very high	92.8	Very high	60 Å²	60	35.8 Å²	35.8	26%	0.261	17%	0.174	S	C	.	.	H	α-helix	trans	-57.7	-40.5	168.3	-73.9	178.8	174.5	177.5	0	111.7	Q858 R888 K889 S896 L923 T927	Q858-K892 HydrophobicContact CG-CB 4.42Å; Q858-K892 HydrophobicContact CG-CD 4.15Å; R888-K892 WeakPolarHBondContact O-CG 3.41Å; R888-K892 PolarHBondContact O-N 2.75Å; R888-K892 VanDerWaalsContact O-N 3.11Å; K889-K892 PolarHBondContact O-N 3.48Å; K892-S896 WeakPolarHBondContact O-CB 3.27Å; K892-S896 PolarHBondContact O-N 3.43Å; K892-S896 PolarHBondContact O-OG 2.68Å; K892-L923 HydrophobicContact CG-CD1 4.21Å; K892-L923 HydrophobicContact CG-CD2 4.11Å; K892-L923 HydrophobicContact CG-CG 4.3Å; K892-T927 HydrophobicContact CB-CG2 4.45Å; K892-T927 WeakPolarHBondContact O-CG2 3.4Å
893	G	97.3	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-57.5	173.7	0	0	0	0	0	112	A865 K889 M890 L891 A895 S896	A865-G893 WeakPolarHBondContact CB-O 3.34Å; K889-G893 PolarHBondContact O-N 3.34Å; M890-G893 CarbonylContact O-C 3.54Å; M890-G893 WeakPolarHBondContact O-CA 3.24Å; M890-G893 PolarHBondContact O-N 2.96Å; L891-G893 VanDerWaalsContact C-N 3.26Å; L891-G893 PolarHBondContact O-N 2.87Å; G893-A895 VanDerWaalsContact C-N 3.29Å; G893-A895 PolarHBondContact O-N 3.27Å; G893-S896 WeakPolarHBondContact O-CB 3.5Å; G893-S896 PolarHBondContact O-N 2.75Å
894	L	98.1	Very high	94.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-55.3	-41.9	178.2	-66.7	167.7	0	0	0	112.5	W871 L874 L875 Y878 M890 L891 S896 S897 I906	W871-L894 HydrophobicContact CD2-CD2 3.83Å; W871-L894 HydrophobicContact CG-CD2 3.93Å; W871-L894 HydrophobicContact CZ2-CD2 4.2Å; W871-L894 PolarHBondContact NE1-O 2.73Å; W871-L894 VanDerWaalsContact NE1-O 3.09Å; W871-L894 WeakPolarHBondContact O-CD2 3.44Å; L874-L894 HydrophobicContact CB-CD2 3.95Å; L874-L894 HydrophobicContact CD2-CD2 3.9Å; L874-L894 HydrophobicContact CD2-CG 3.86Å; L874-L894 HydrophobicContact CG-CD2 3.9Å; L874-L894 HydrophobicContact CG-CG 3.97Å; L875-L894 HydrophobicContact CB-CD1 4.36Å; L875-L894 HydrophobicContact CB-CD2 4.04Å; L875-L894 HydrophobicContact CD1-CD1 4.16Å; Y878-L894 HydrophobicContact CG-CD1 4.47Å; M890-L894 WeakPolarHBondContact O-CG 3.5Å; M890-L894 PolarHBondContact O-N 3.07Å; L891-L894 PolarHBondContact O-N 3.11Å; L894-S896 VanDerWaalsContact C-N 3.26Å; L894-S896 PolarHBondContact O-N 3.27Å; L894-S897 WeakPolarHBondContact O-CB 3.43Å; L894-S897 PolarHBondContact O-N 2.83Å; L894-I906 HydrophobicContact CB-CD1 3.74Å
895	A	97.8	Very high	94.8	Very high	1 Å²	1	37 Å²	37	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-74	-9.8	177.6	0	0	0	0	0	114.2	L891 G893 I906 I924 T927 V928	L891-A895 VanDerWaalsContact O-CB 3.22Å; L891-A895 WeakPolarHBondContact O-CB 3.4Å; L891-A895 PolarHBondContact O-N 2.84Å; G893-A895 VanDerWaalsContact C-N 3.29Å; G893-A895 PolarHBondContact O-N 3.27Å; A895-I906 HydrophobicContact CB-CD1 3.92Å; A895-I924 HydrophobicContact CB-CG2 4.34Å; A895-T927 HydrophobicContact CB-CG2 3.84Å; A895-V928 HydrophobicContact CB-CG1 4.11Å; A895-V928 WeakPolarHBondContact O-CA 3.37Å; A895-V928 VanDerWaalsContact O-CG1 3.31Å; A895-V928 WeakPolarHBondContact O-CG1 3.17Å
896	S	96.6	Very high	95.4	Very high	25 Å²	25	36.4 Å²	36.4	18%	0.175	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8	174.9	-60.3	0	0	0	0	113.1	Q866 K892 G893 L894 Q898	Q866-S896 PolarHBondContact NE2-O 2.88Å; K892-S896 WeakPolarHBondContact O-CB 3.27Å; K892-S896 PolarHBondContact O-N 3.43Å; K892-S896 PolarHBondContact O-OG 2.68Å; G893-S896 WeakPolarHBondContact O-CB 3.5Å; G893-S896 PolarHBondContact O-N 2.75Å; L894-S896 VanDerWaalsContact C-N 3.26Å; L894-S896 PolarHBondContact O-N 3.27Å; S896-Q898 PolarHBondContact O-NE2 2.88Å
897	S	96.2	Very high	95.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	17%	0.165	C	C	.	.			trans	-59.4	136.8	178.8	-160.2	0	0	0	0	111.3	A865 L894 H902 I903	A865-S897 VanDerWaalsContact O-CB 3.28Å; A865-S897 WeakPolarHBondContact O-CB 3.31Å; A865-S897 PolarHBondContact O-OG 3.43Å; L894-S897 WeakPolarHBondContact O-CB 3.43Å; L894-S897 PolarHBondContact O-N 2.83Å; S897-H902 PolarHBondContact OG-ND1 3.29Å; S897-I903 WeakPolarHBondContact O-CG1 2.95Å
898	Q	93.4	Very high	96.2	Very high	77 Å²	77	39.2 Å²	39.2	36%	0.36	18%	0.184	S	C	.	.			trans	-88.7	-1.6	175	-60.8	-52.3	-69.1	0	0	113.8	S896 P900 F932	S896-Q898 PolarHBondContact O-NE2 2.88Å; Q898-P900 WeakPolarHBondContact O-CD 3.4Å; Q898-F932 VanDerWaalsContact OE1-N 3.12Å
899	D	95.9	Very high	96.4	Very high	42 Å²	42	35.1 Å²	35.1	23%	0.225	17%	0.171	C	C	.	.			trans	-73.1	121.6	177.2	-167.5	-49.4	0	0	0	111.3	R901 H902 I903	D899-R901 PolarHBondContact O-N 3.18Å; D899-R901 VanDerWaalsContact O-N 3.13Å; D899-R901 WeakPolarHBondContact OD1-CB 3.44Å; D899-R901 VanDerWaalsContact OD1-CG 3.32Å; D899-R901 WeakPolarHBondContact OD1-CG 3.48Å; D899-R901 IonicContact OD1-CZ 3.67Å; D899-R901 PolarHBondContact OD1-N 3.33Å; D899-R901 IonicContact OD1-NE 3.54Å; D899-R901 PolarHBondContact OD1-NE 3.14Å; D899-R901 VanDerWaalsContact OD1-NE 3.08Å; D899-R901 IonicContact OD1-NH2 3.94Å; D899-R901 IonicContact OD2-CZ 3.49Å; D899-R901 IonicContact OD2-NE 3.85Å; D899-R901 PolarHBondContact OD2-NE 3.22Å; D899-R901 IonicContact OD2-NH2 3.35Å; D899-R901 PolarHBondContact OD2-NH2 2.61Å; D899-H902 HydrophobicContact CB-CB 4.3Å; D899-H902 WeakPolarHBondContact CB-ND1 3.1Å; D899-H902 PolarHBondContact O-N 2.69Å; D899-H902 VanDerWaalsContact O-N 3.16Å; D899-I903 WeakPolarHBondContact O-CG1 3.45Å; D899-I903 PolarHBondContact O-N 3.02Å
900	P	94.4	Very high	96.6	Very high	59 Å²	59	34 Å²	34	38%	0.383	17%	0.167	S	C	.	.	H	α-helix	trans	-54.1	-31.9	177.8	-28.5	37.2	0	0	0	114.5	Q898 I903 A904 F937	Q898-P900 WeakPolarHBondContact O-CD 3.4Å; P900-I903 PolarHBondContact O-N 2.97Å; P900-A904 WeakPolarHBondContact O-CB 3.35Å; P900-A904 PolarHBondContact O-N 3.42Å; P900-F937 HydrophobicContact CB-CE2 3.8Å; P900-F937 HydrophobicContact CB-CZ 3.87Å; P900-F937 HydrophobicContact CG-CE2 4.23Å
901	R	95.9	Very high	96.6	Very high	146 Å²	146	34.2 Å²	34.2	55%	0.551	17%	0.168	S	C	*	.	H	α-helix	trans	-68.6	-45.4	-179.6	-55.9	172.4	-65.3	148	6.1	110.7	E868 D899 W905	E868-R901 IonicContact OE2-CZ 3.62Å; E868-R901 IonicContact OE2-NH1 2.69Å; E868-R901 IonicContact OE2-NH2 3.66Å; E868-R901 PolarHBondContact OE2-NH2 2.93Å; D899-R901 PolarHBondContact O-N 3.18Å; D899-R901 VanDerWaalsContact O-N 3.13Å; D899-R901 WeakPolarHBondContact OD1-CB 3.44Å; D899-R901 VanDerWaalsContact OD1-CG 3.32Å; D899-R901 WeakPolarHBondContact OD1-CG 3.48Å; D899-R901 IonicContact OD1-CZ 3.67Å; D899-R901 PolarHBondContact OD1-N 3.33Å; D899-R901 IonicContact OD1-NE 3.54Å; D899-R901 PolarHBondContact OD1-NE 3.14Å; D899-R901 VanDerWaalsContact OD1-NE 3.08Å; D899-R901 IonicContact OD1-NH2 3.94Å; D899-R901 IonicContact OD2-CZ 3.49Å; D899-R901 IonicContact OD2-NE 3.85Å; D899-R901 PolarHBondContact OD2-NE 3.22Å; D899-R901 IonicContact OD2-NH2 3.35Å; D899-R901 PolarHBondContact OD2-NH2 2.61Å; R901-W905 VanDerWaalsContact O-CB 3.31Å; R901-W905 WeakPolarHBondContact O-CB 3.34Å; R901-W905 PolarHBondContact O-N 2.79Å
902	H	97.3	Very high	96.5	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-40.6	175.3	-63.4	144.8	0	0	0	111.7	E868 W871 S897 D899 W905 I906	E868-H902 IonicContact OE2-CE1 2.77Å; E868-H902 IonicContact OE2-NE2 2.65Å; W871-H902 AromaticContact CD1-ND1 3.84Å; W871-H902 HydrophobicContact CD2-CB 4.44Å; W871-H902 AromaticContact CD2-CD2 3.48Å; W871-H902 VanDerWaalsContact CD2-CD2 3.48Å; W871-H902 AromaticContact CD2-CE1 3.95Å; W871-H902 AromaticContact CD2-CG 3.74Å; W871-H902 AromaticContact CD2-ND1 3.99Å; W871-H902 AromaticContact CD2-NE2 3.64Å; W871-H902 AromaticContact CE2-CD2 3.57Å; W871-H902 AromaticContact CE2-CG 3.54Å; W871-H902 AromaticContact CE3-CD2 3.51Å; W871-H902 AromaticContact CE3-NE2 3.54Å; W871-H902 AromaticContact CG-CE1 3.85Å; W871-H902 AromaticContact CG-ND1 3.86Å; W871-H902 AromaticContact CH2-CD2 3.78Å; W871-H902 HydrophobicContact CZ2-CB 3.83Å; W871-H902 AromaticContact CZ2-CD2 3.74Å; W871-H902 AromaticContact CZ2-CG 3.91Å; W871-H902 AromaticContact CZ3-CD2 3.66Å; W871-H902 AromaticContact NE1-CG 3.72Å; S897-H902 PolarHBondContact OG-ND1 3.29Å; D899-H902 HydrophobicContact CB-CB 4.3Å; D899-H902 WeakPolarHBondContact CB-ND1 3.1Å; D899-H902 PolarHBondContact O-N 2.69Å; D899-H902 VanDerWaalsContact O-N 3.16Å; H902-W905 PolarHBondContact O-N 2.83Å; H902-I906 WeakPolarHBondContact O-CB 3.33Å; H902-I906 WeakPolarHBondContact O-CG2 3.24Å; H902-I906 PolarHBondContact O-N 3.02Å
903	I	97.4	Very high	96.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-49.4	177.3	-66.7	161.9	0	0	0	111.1	S897 D899 P900 W905 I906 L907 V928 A933 F937	S897-I903 WeakPolarHBondContact O-CG1 2.95Å; D899-I903 WeakPolarHBondContact O-CG1 3.45Å; D899-I903 PolarHBondContact O-N 3.02Å; P900-I903 PolarHBondContact O-N 2.97Å; I903-W905 VanDerWaalsContact C-N 3.34Å; I903-W905 PolarHBondContact O-N 3.08Å; I903-I906 WeakPolarHBondContact O-CG2 3.14Å; I903-I906 PolarHBondContact O-N 2.99Å; I903-L907 HydrophobicContact CG2-CD1 3.89Å; I903-L907 WeakPolarHBondContact O-CG 3.46Å; I903-L907 PolarHBondContact O-N 2.77Å; I903-L907 VanDerWaalsContact O-N 3.17Å; I903-V928 HydrophobicContact CG2-CG1 4.43Å; I903-A933 HydrophobicContact CD1-CB 3.69Å; I903-F937 HydrophobicContact CG2-CB 3.86Å; I903-F937 HydrophobicContact CG2-CG 4.39Å
904	A	96.5	Very high	95.7	Very high	50 Å²	50	42.2 Å²	42.2	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-41	178.1	0	0	0	0	0	111.9	P900 K908	P900-A904 WeakPolarHBondContact O-CB 3.35Å; P900-A904 PolarHBondContact O-N 3.42Å; A904-K908 WeakPolarHBondContact O-CB 3.48Å; A904-K908 PolarHBondContact O-N 2.86Å
905	W	97.1	Very high	95.2	Very high	86 Å²	86	46.8 Å²	46.8	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-49.4	176.9	-177.5	92.9	0	0	0	112.1	W871 L875 R901 H902 I903 L907 K908 A909 I915 I916	W871-W905 HydrophobicContact CH2-CD2 4.04Å; W871-W905 AromaticContact CH2-CE3 3.54Å; W871-W905 HydrophobicContact CH2-CE3 3.54Å; W871-W905 AromaticContact CH2-CZ3 3.89Å; W871-W905 HydrophobicContact CH2-CZ3 3.89Å; W871-W905 AromaticContact CZ2-CE3 3.93Å; W871-W905 HydrophobicContact CZ2-CE3 3.93Å; W871-W905 HydrophobicContact CZ2-CZ3 4.28Å; L875-W905 HydrophobicContact CD1-CH2 3.6Å; L875-W905 HydrophobicContact CD1-CZ3 4.03Å; L875-W905 HydrophobicContact CD2-CH2 3.73Å; L875-W905 HydrophobicContact CD2-CZ2 3.99Å; L875-W905 HydrophobicContact CD2-CZ3 4.16Å; L875-W905 HydrophobicContact CG-CH2 4.34Å; R901-W905 VanDerWaalsContact O-CB 3.31Å; R901-W905 WeakPolarHBondContact O-CB 3.34Å; R901-W905 PolarHBondContact O-N 2.79Å; H902-W905 PolarHBondContact O-N 2.83Å; I903-W905 VanDerWaalsContact C-N 3.34Å; I903-W905 PolarHBondContact O-N 3.08Å; W905-L907 PolarHBondContact O-N 2.77Å; W905-K908 PolarHBondContact O-N 2.83Å; W905-A909 HydrophobicContact CD2-CB 4.42Å; W905-A909 HydrophobicContact CE3-CB 4.29Å; W905-A909 HydrophobicContact CH2-CB 4.04Å; W905-A909 HydrophobicContact CZ2-CB 4.21Å; W905-A909 HydrophobicContact CZ3-CB 4.1Å; W905-A909 VanDerWaalsContact O-CB 3.31Å; W905-A909 WeakPolarHBondContact O-CB 3.37Å; W905-A909 PolarHBondContact O-N 3.12Å; W905-I915 HydrophobicContact CH2-CG2 4.48Å; W905-I915 HydrophobicContact CZ2-CD1 4.06Å; W905-I916 HydrophobicContact CH2-CD1 4.18Å; W905-I916 HydrophobicContact CZ3-CD1 3.94Å
906	I	97.7	Very high	95	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-34.3	-173.3	-161.2	168.2	0	0	0	112.7	L891 L894 A895 H902 I903 G910 I916 I924 V928	L891-I906 HydrophobicContact CD1-CD1 3.85Å; L891-I906 HydrophobicContact CD1-CG1 4.35Å; L894-I906 HydrophobicContact CB-CD1 3.74Å; A895-I906 HydrophobicContact CB-CD1 3.92Å; H902-I906 WeakPolarHBondContact O-CB 3.33Å; H902-I906 WeakPolarHBondContact O-CG2 3.24Å; H902-I906 PolarHBondContact O-N 3.02Å; I903-I906 WeakPolarHBondContact O-CG2 3.14Å; I903-I906 PolarHBondContact O-N 2.99Å; I906-G910 PolarHBondContact O-N 2.89Å; I906-I916 HydrophobicContact CG1-CD1 3.93Å; I906-I924 HydrophobicContact CB-CG2 4.43Å; I906-I924 HydrophobicContact CD1-CG2 4.34Å; I906-I924 HydrophobicContact CG1-CD1 4.34Å; I906-I924 HydrophobicContact CG1-CG2 3.93Å; I906-I924 HydrophobicContact CG2-CG2 3.89Å; I906-V928 HydrophobicContact CG2-CG1 4.23Å
907	L	97.7	Very high	94.8	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-44.6	172.5	-70.2	168.6	0	0	0	111.3	I903 W905 L911 I924 I925 V928 F941	I903-L907 HydrophobicContact CG2-CD1 3.89Å; I903-L907 WeakPolarHBondContact O-CG 3.46Å; I903-L907 PolarHBondContact O-N 2.77Å; I903-L907 VanDerWaalsContact O-N 3.17Å; W905-L907 PolarHBondContact O-N 2.77Å; L907-L911 PolarHBondContact O-N 2.82Å; L907-L911 VanDerWaalsContact O-N 3.11Å; L907-I924 HydrophobicContact CD2-CG2 4.16Å; L907-I925 HydrophobicContact CD2-CG1 3.64Å; L907-V928 HydrophobicContact CD2-CG2 4.15Å; L907-F941 HydrophobicContact CB-CD1 4.3Å; L907-F941 HydrophobicContact CB-CD2 3.95Å; L907-F941 HydrophobicContact CB-CE1 4.18Å; L907-F941 HydrophobicContact CB-CE2 3.81Å; L907-F941 HydrophobicContact CB-CG 4.19Å; L907-F941 HydrophobicContact CB-CZ 3.92Å; L907-F941 HydrophobicContact CD1-CB 4.22Å; L907-F941 HydrophobicContact CD1-CG 4.18Å; L907-F941 HydrophobicContact CD2-CD1 4.23Å; L907-F941 HydrophobicContact CD2-CE1 4.34Å; L907-F941 WeakPolarHBondContact O-CZ 3.22Å
908	K	96.7	Very high	94.7	Very high	131 Å²	131	47.4 Å²	47.4	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-65	-43.8	176.2	-174.8	176.6	179.5	179.1	0	111.9	A904 W905 L911 N912	A904-K908 WeakPolarHBondContact O-CB 3.48Å; A904-K908 PolarHBondContact O-N 2.86Å; W905-K908 PolarHBondContact O-N 2.83Å; K908-L911 PolarHBondContact O-N 2.72Å; K908-N912 WeakPolarHBondContact O-CB 3.46Å; K908-N912 PolarHBondContact O-N 3.09Å; K908-N912 PolarHBondContact O-OD1 3.13Å
909	A	96.9	Very high	94.7	Very high	12 Å²	12	44.5 Å²	44.5	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-44.9	179.1	0	0	0	0	0	112	W905 N912 G913 I916	W905-A909 HydrophobicContact CD2-CB 4.42Å; W905-A909 HydrophobicContact CE3-CB 4.29Å; W905-A909 HydrophobicContact CH2-CB 4.04Å; W905-A909 HydrophobicContact CZ2-CB 4.21Å; W905-A909 HydrophobicContact CZ3-CB 4.1Å; W905-A909 VanDerWaalsContact O-CB 3.31Å; W905-A909 WeakPolarHBondContact O-CB 3.37Å; W905-A909 PolarHBondContact O-N 3.12Å; A909-N912 PolarHBondContact O-N 3.02Å; A909-G913 PolarHBondContact O-N 2.79Å; A909-G913 VanDerWaalsContact O-N 3.1Å; A909-I916 HydrophobicContact CB-CD1 3.95Å
910	G	96.3	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-39	175.5	0	0	0	0	0	113.4	I906 T918	I906-G910 PolarHBondContact O-N 2.89Å; G910-T918 VanDerWaalsContact O-CA 3.24Å; G910-T918 WeakPolarHBondContact O-CA 3.25Å; G910-T918 WeakPolarHBondContact O-CB 3.4Å; G910-T918 PolarHBondContact O-OG1 2.83Å
911	L	95.8	Very high	94.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-73.7	-27.1	176.8	-178.8	61.8	0	0	0	113.8	L907 K908 L921 F941 N945 R948 L949	L907-L911 PolarHBondContact O-N 2.82Å; L907-L911 VanDerWaalsContact O-N 3.11Å; K908-L911 PolarHBondContact O-N 2.72Å; L911-L921 HydrophobicContact CB-CD2 3.84Å; L911-L921 HydrophobicContact CD1-CD2 3.82Å; L911-L921 HydrophobicContact CG-CD2 4.41Å; L911-F941 HydrophobicContact CB-CZ 3.85Å; L911-F941 HydrophobicContact CD2-CE1 4.41Å; L911-F941 HydrophobicContact CD2-CE2 4.2Å; L911-F941 HydrophobicContact CD2-CZ 3.63Å; L911-F941 HydrophobicContact CG-CZ 4.36Å; L911-N945 HydrophobicContact CD2-CB 3.66Å; L911-N945 WeakPolarHBondContact CD2-OD1 3.36Å; L911-R948 HydrophobicContact CD1-CB 4.36Å; L911-R948 HydrophobicContact CD2-CB 4.47Å; L911-L949 HydrophobicContact CD1-CD2 3.92Å
912	N	94.3	Very high	94.8	Very high	69 Å²	69	33.7 Å²	33.7	37%	0.369	18%	0.179	S	C	.	.	H	α-helix	trans	-75.9	-37.2	175.8	-77.6	7.1	0	0	0	112.6	K908 A909 R948	K908-N912 WeakPolarHBondContact O-CB 3.46Å; K908-N912 PolarHBondContact O-N 3.09Å; K908-N912 PolarHBondContact O-OD1 3.13Å; A909-N912 PolarHBondContact O-N 3.02Å; N912-R948 PolarHBondContact OD1-NH2 2.88Å
913	G	90.9	Very high	94.8	Very high	23 Å²	23	34.2 Å²	34.2	24%	0.237	18%	0.183	C	C	.	.			trans	90.1	-4.1	175.5	0	0	0	0	0	115.8	A909 I916 T918	A909-G913 PolarHBondContact O-N 2.79Å; A909-G913 VanDerWaalsContact O-N 3.1Å; G913-I916 CarbonylContact C-O 3.54Å; G913-I916 WeakPolarHBondContact CA-O 3.32Å; G913-T918 WeakPolarHBondContact CA-OG1 3.46Å
914	D	86.9	Confident	94.8	Very high	137 Å²	137	34.2 Å²	34.2	73%	0.733	18%	0.182	S	C	*	.	S	Bend	trans	-76.2	-61.1	-171.3	-57.1	-58	0	0	0	113.5
915	I	88.5	Confident	94.9	Very high	97 Å²	97	31.8 Å²	31.8	50%	0.497	16%	0.163	S	C	.	.	S	Bend	trans	-85.3	-38.2	179.8	-60.4	171.5	0	0	0	110.2	W905	W905-I915 HydrophobicContact CH2-CG2 4.48Å; W905-I915 HydrophobicContact CZ2-CD1 4.06Å
916	I	93.6	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-122.2	117.3	-180	-61.6	161.8	0	0	0	106.7	Y878 L891 W905 I906 A909 G913 E920 I924	Y878-I916 HydrophobicContact CE1-CG1 3.75Å; L891-I916 HydrophobicContact CD1-CD1 3.72Å; L891-I916 HydrophobicContact CD1-CG1 4.11Å; L891-I916 HydrophobicContact CD1-CG2 4.07Å; L891-I916 HydrophobicContact CD2-CG2 3.98Å; W905-I916 HydrophobicContact CH2-CD1 4.18Å; W905-I916 HydrophobicContact CZ3-CD1 3.94Å; I906-I916 HydrophobicContact CG1-CD1 3.93Å; A909-I916 HydrophobicContact CB-CD1 3.95Å; G913-I916 CarbonylContact C-O 3.54Å; G913-I916 WeakPolarHBondContact CA-O 3.32Å; I916-E920 HydrophobicContact CG2-CB 4.02Å; I916-E920 HydrophobicContact CG2-CG 4.49Å; I916-I924 HydrophobicContact CG2-CD1 3.79Å
917	Q	91.6	Very high	94.9	Very high	33 Å²	33	31 Å²	31	15%	0.154	17%	0.165	C	C	.	.			trans	-59.3	139.6	-179	-62.6	163.1	-55.2	0	0	111.1	P422 D423 Q919 E920	P422-Q917 PolarHBondContact O-NE2 3.06Å; D423-Q917 PolarHBondContact OD1-NE2 3.5Å; Q917-Q919 HydrophobicContact CB-CG 3.82Å; Q917-Q919 VanDerWaalsContact CD-NE2 3.28Å; Q917-Q919 PolarHBondContact O-N 2.96Å; Q917-Q919 VanDerWaalsContact O-N 3.1Å; Q917-E920 WeakPolarHBondContact O-CB 3.41Å; Q917-E920 PolarHBondContact O-N 2.84Å
918	T	94.3	Very high	94.8	Very high	9 Å²	9	31 Å²	31	6%	0.055	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63	-23.3	-172.9	-50.4	0	0	0	0	114.3	Y269 G910 G913 E920 L921 K952 F953	Y269-T918 WeakPolarHBondContact OH-CB 3.42Å; G910-T918 VanDerWaalsContact O-CA 3.24Å; G910-T918 WeakPolarHBondContact O-CA 3.25Å; G910-T918 WeakPolarHBondContact O-CB 3.4Å; G910-T918 PolarHBondContact O-OG1 2.83Å; G913-T918 WeakPolarHBondContact CA-OG1 3.46Å; T918-E920 PolarHBondContact O-N 3.08Å; T918-E920 VanDerWaalsContact O-N 3.09Å; T918-L921 VanDerWaalsContact O-CB 3.25Å; T918-L921 WeakPolarHBondContact O-CB 3.34Å; T918-L921 PolarHBondContact O-N 3.04Å; T918-K952 HydrophobicContact CG2-CB 4.45Å; T918-K952 HydrophobicContact CG2-CG 4.47Å; T918-F953 HydrophobicContact CG2-CE2 4.41Å; T918-F953 HydrophobicContact CG2-CZ 3.84Å; T918-F953 WeakPolarHBondContact O-CZ 3.49Å
919	Q	92.9	Very high	94.8	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.075	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.6	-26.3	170	63.5	179.6	-8.3	0	0	113.8	Y269 P422 F424 R438 Q917	Y269-Q919 HydrophobicContact CE1-CB 4.09Å; Y269-Q919 PolarHBondContact OH-N 2.93Å; P422-Q919 PolarHBondContact O-NE2 2.97Å; F424-Q919 PolarHBondContact O-OE1 3.33Å; R438-Q919 VanDerWaalsContact NE-OE1 3.12Å; R438-Q919 VanDerWaalsContact NH2-CD 3.33Å; Q917-Q919 HydrophobicContact CB-CG 3.82Å; Q917-Q919 VanDerWaalsContact CD-NE2 3.28Å; Q917-Q919 PolarHBondContact O-N 2.96Å; Q917-Q919 VanDerWaalsContact O-N 3.1Å
920	E	95.4	Very high	94.6	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.023	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-82.9	-12.5	177.6	-68.2	-61.8	112.4	0	0	113.7	R438 R888 L891 I916 Q917 T918 L923 I924	R438-E920 IonicContact CZ-OE1 2.71Å; R438-E920 IonicContact NE-OE1 3.9Å; R438-E920 IonicContact NH1-OE1 2.68Å; R438-E920 PolarHBondContact NH1-OE1 2.95Å; R438-E920 IonicContact NH2-OE1 3.81Å; R438-E920 PolarHBondContact NH2-OE1 3.45Å; R888-E920 IonicContact NE-OE1 3.95Å; R888-E920 IonicContact NE-OE2 2.75Å; L891-E920 HydrophobicContact CD2-CB 3.51Å; L891-E920 HydrophobicContact CD2-CG 3.67Å; L891-E920 WeakPolarHBondContact CD2-OE2 3.32Å; I916-E920 HydrophobicContact CG2-CB 4.02Å; I916-E920 HydrophobicContact CG2-CG 4.49Å; Q917-E920 WeakPolarHBondContact O-CB 3.41Å; Q917-E920 PolarHBondContact O-N 2.84Å; T918-E920 PolarHBondContact O-N 3.08Å; T918-E920 VanDerWaalsContact O-N 3.09Å; E920-L923 WeakPolarHBondContact O-CA 3.43Å; E920-L923 WeakPolarHBondContact O-CB 3.5Å; E920-L923 PolarHBondContact O-N 3.27Å; E920-L923 VanDerWaalsContact OE2-CD2 3.23Å; E920-L923 WeakPolarHBondContact OE2-CD2 3.28Å; E920-I924 HydrophobicContact CB-CD1 4.31Å; E920-I924 WeakPolarHBondContact O-CG1 3.48Å; E920-I924 PolarHBondContact O-N 2.91Å
921	L	96.8	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-40.6	-173.9	-176.2	60.6	0	0	0	113.9	L911 T918 L923 I924 I925 F941 L949 F953	L911-L921 HydrophobicContact CB-CD2 3.84Å; L911-L921 HydrophobicContact CD1-CD2 3.82Å; L911-L921 HydrophobicContact CG-CD2 4.41Å; T918-L921 VanDerWaalsContact O-CB 3.25Å; T918-L921 WeakPolarHBondContact O-CB 3.34Å; T918-L921 PolarHBondContact O-N 3.04Å; L921-L923 VanDerWaalsContact C-N 3.29Å; L921-L923 PolarHBondContact O-N 3.39Å; L921-I924 PolarHBondContact O-N 2.98Å; L921-I925 HydrophobicContact CD1-CD1 3.82Å; L921-I925 HydrophobicContact CD1-CG1 4.05Å; L921-I925 HydrophobicContact CD2-CD1 4.37Å; L921-I925 HydrophobicContact CG-CD1 3.67Å; L921-I925 HydrophobicContact CG-CG1 4.37Å; L921-I925 WeakPolarHBondContact O-CB 3.24Å; L921-I925 WeakPolarHBondContact O-CD1 3.14Å; L921-I925 WeakPolarHBondContact O-CG1 3.12Å; L921-I925 PolarHBondContact O-N 3.22Å; L921-F941 HydrophobicContact CD1-CE1 4.38Å; L921-L949 HydrophobicContact CD2-CD2 3.64Å; L921-F953 HydrophobicContact CB-CZ 4.43Å; L921-F953 HydrophobicContact CD2-CE2 4.32Å
922	P	96.8	Very high	94.2	Very high	15 Å²	15	30.6 Å²	30.6	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-36.2	172.7	-23.6	34.5	0	0	0	113.6	N926 F953 A959 T962 I963	P922-N926 VanDerWaalsContact O-CB 3.3Å; P922-N926 WeakPolarHBondContact O-CB 3.36Å; P922-N926 PolarHBondContact O-N 3.4Å; P922-F953 HydrophobicContact CG-CZ 4.41Å; P922-A959 HydrophobicContact CG-CB 3.88Å; P922-T962 HydrophobicContact CB-CG2 4.02Å; P922-I963 HydrophobicContact CB-CG1 4.2Å; P922-I963 HydrophobicContact CG-CD1 4.18Å; P922-I963 HydrophobicContact CG-CG1 4.31Å
923	L	96.4	Very high	94	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.131	15%	0.154	C	C	.	.	H	α-helix	trans	-70.1	-43	176.5	178.9	71.4	0	0	0	111.7	R888 K892 E920 L921 N926 T927	R888-L923 HydrophobicContact CG-CD2 3.5Å; K892-L923 HydrophobicContact CG-CD1 4.21Å; K892-L923 HydrophobicContact CG-CD2 4.11Å; K892-L923 HydrophobicContact CG-CG 4.3Å; E920-L923 WeakPolarHBondContact O-CA 3.43Å; E920-L923 WeakPolarHBondContact O-CB 3.5Å; E920-L923 PolarHBondContact O-N 3.27Å; E920-L923 VanDerWaalsContact OE2-CD2 3.23Å; E920-L923 WeakPolarHBondContact OE2-CD2 3.28Å; L921-L923 VanDerWaalsContact C-N 3.29Å; L921-L923 PolarHBondContact O-N 3.39Å; L923-N926 PolarHBondContact O-N 2.96Å; L923-T927 WeakPolarHBondContact O-CB 3.26Å; L923-T927 PolarHBondContact O-N 2.79Å; L923-T927 PolarHBondContact O-OG1 2.85Å
924	I	97.8	Very high	94.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-52	177	-62.5	166.4	0	0	0	109.2	L891 A895 I906 L907 I916 E920 L921 N926 T927 V928	L891-I924 HydrophobicContact CD1-CD1 4.28Å; L891-I924 HydrophobicContact CD1-CG1 4.24Å; L891-I924 HydrophobicContact CD2-CD1 4.12Å; L891-I924 HydrophobicContact CD2-CG1 3.86Å; L891-I924 HydrophobicContact CG-CD1 4.5Å; L891-I924 HydrophobicContact CG-CG1 4.03Å; A895-I924 HydrophobicContact CB-CG2 4.34Å; I906-I924 HydrophobicContact CB-CG2 4.43Å; I906-I924 HydrophobicContact CD1-CG2 4.34Å; I906-I924 HydrophobicContact CG1-CD1 4.34Å; I906-I924 HydrophobicContact CG1-CG2 3.93Å; I906-I924 HydrophobicContact CG2-CG2 3.89Å; L907-I924 HydrophobicContact CD2-CG2 4.16Å; I916-I924 HydrophobicContact CG2-CD1 3.79Å; E920-I924 HydrophobicContact CB-CD1 4.31Å; E920-I924 WeakPolarHBondContact O-CG1 3.48Å; E920-I924 PolarHBondContact O-N 2.91Å; L921-I924 PolarHBondContact O-N 2.98Å; I924-N926 PolarHBondContact O-N 3Å; I924-T927 PolarHBondContact O-N 2.93Å; I924-T927 VanDerWaalsContact O-N 3.1Å; I924-V928 HydrophobicContact CG2-CG1 4.4Å; I924-V928 WeakPolarHBondContact O-CG2 3.38Å; I924-V928 PolarHBondContact O-N 2.95Å
925	I	98	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.6	-47	178.7	-71	162.2	0	0	0	110.9	L907 L921 T927 V928 C929 I942 I963 T967	L907-I925 HydrophobicContact CD2-CG1 3.64Å; L921-I925 HydrophobicContact CD1-CD1 3.82Å; L921-I925 HydrophobicContact CD1-CG1 4.05Å; L921-I925 HydrophobicContact CD2-CD1 4.37Å; L921-I925 HydrophobicContact CG-CD1 3.67Å; L921-I925 HydrophobicContact CG-CG1 4.37Å; L921-I925 WeakPolarHBondContact O-CB 3.24Å; L921-I925 WeakPolarHBondContact O-CD1 3.14Å; L921-I925 WeakPolarHBondContact O-CG1 3.12Å; L921-I925 PolarHBondContact O-N 3.22Å; I925-T927 VanDerWaalsContact C-N 3.28Å; I925-T927 PolarHBondContact O-N 3.16Å; I925-V928 WeakPolarHBondContact O-CG2 2.78Å; I925-C929 WeakPolarHBondContact O-CB 3.36Å; I925-C929 PolarHBondContact O-N 2.71Å; I925-C929 VanDerWaalsContact O-N 3.16Å; I925-C929 PolarHBondContact O-SG 3.38Å; I925-I942 HydrophobicContact CD1-CD1 3.9Å; I925-I963 HydrophobicContact CD1-CD1 3.91Å; I925-I963 HydrophobicContact CD1-CG1 3.75Å; I925-I963 HydrophobicContact CD1-CG2 4.2Å; I925-T967 HydrophobicContact CG2-CG2 3.65Å
926	N	97	Very high	94.4	Very high	62 Å²	62	19.7 Å²	19.7	33%	0.332	10%	0.103	S	C	.	.	H	α-helix	trans	-57.4	-42.5	176.2	-176	-102.4	0	0	0	112.5	P922 L923 I924 S966	P922-N926 VanDerWaalsContact O-CB 3.3Å; P922-N926 WeakPolarHBondContact O-CB 3.36Å; P922-N926 PolarHBondContact O-N 3.4Å; L923-N926 PolarHBondContact O-N 2.96Å; I924-N926 PolarHBondContact O-N 3Å; N926-S966 PolarHBondContact ND2-OG 2.87Å
927	T	97.3	Very high	94.3	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-73.9	-44.9	-176.3	-50.6	0	0	0	0	112.4	K892 A895 L923 I924 I925 C929 H930	K892-T927 HydrophobicContact CB-CG2 4.45Å; K892-T927 WeakPolarHBondContact O-CG2 3.4Å; A895-T927 HydrophobicContact CB-CG2 3.84Å; L923-T927 WeakPolarHBondContact O-CB 3.26Å; L923-T927 PolarHBondContact O-N 2.79Å; L923-T927 PolarHBondContact O-OG1 2.85Å; I924-T927 PolarHBondContact O-N 2.93Å; I924-T927 VanDerWaalsContact O-N 3.1Å; I925-T927 VanDerWaalsContact C-N 3.28Å; I925-T927 PolarHBondContact O-N 3.16Å; T927-C929 VanDerWaalsContact C-N 3.26Å; T927-C929 PolarHBondContact O-N 3.48Å; T927-H930 VanDerWaalsContact O-CB 3.3Å; T927-H930 WeakPolarHBondContact O-CB 3.33Å; T927-H930 PolarHBondContact O-N 2.91Å; T927-H930 VanDerWaalsContact O-N 3.11Å
928	V	97.2	Very high	94.5	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-35.8	177.4	-61.7	0	0	0	0	111.2	A895 I903 I906 L907 I924 I925 H930 G931 G934 A938	A895-V928 HydrophobicContact CB-CG1 4.11Å; A895-V928 WeakPolarHBondContact O-CA 3.37Å; A895-V928 VanDerWaalsContact O-CG1 3.31Å; A895-V928 WeakPolarHBondContact O-CG1 3.17Å; I903-V928 HydrophobicContact CG2-CG1 4.43Å; I906-V928 HydrophobicContact CG2-CG1 4.23Å; L907-V928 HydrophobicContact CD2-CG2 4.15Å; I924-V928 HydrophobicContact CG2-CG1 4.4Å; I924-V928 WeakPolarHBondContact O-CG2 3.38Å; I924-V928 PolarHBondContact O-N 2.95Å; I925-V928 WeakPolarHBondContact O-CG2 2.78Å; V928-H930 PolarHBondContact O-N 3.35Å; V928-G931 PolarHBondContact O-N 2.87Å; V928-G934 CarbonylContact O-C 3.49Å; V928-G934 VanDerWaalsContact O-CA 3.27Å; V928-G934 WeakPolarHBondContact O-CA 3.42Å; V928-A938 HydrophobicContact CG2-CB 3.93Å
929	C	96.1	Very high	94.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	177.3	-75	0	0	0	0	114.3	I925 T927 G931 A938 S966 Q970	I925-C929 WeakPolarHBondContact O-CB 3.36Å; I925-C929 PolarHBondContact O-N 2.71Å; I925-C929 VanDerWaalsContact O-N 3.16Å; I925-C929 PolarHBondContact O-SG 3.38Å; T927-C929 VanDerWaalsContact C-N 3.26Å; T927-C929 PolarHBondContact O-N 3.48Å; C929-G931 VanDerWaalsContact C-N 3.31Å; C929-A938 VanDerWaalsContact SG-CB 3.56Å; C929-S966 WeakPolarHBondContact CB-O 3.5Å; C929-S966 PolarHBondContact SG-O 2.94Å; C929-Q970 PolarHBondContact O-NE2 2.94Å; C929-Q970 PolarHBondContact O-OE1 3.02Å
930	H	93.1	Very high	94.6	Very high	68 Å²	68	22.2 Å²	22.2	32%	0.315	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-32.8	170.3	-62.6	164.1	0	0	0	112.2	R774 K778 T927 V928	R774-H930 PolarHBondContact NH1-CD2 3.2Å; R774-H930 PolarHBondContact NH1-NE2 2.92Å; R774-H930 PolarHBondContact NH2-CD2 3.38Å; R774-H930 VanDerWaalsContact NH2-CG 3.34Å; R774-H930 PolarHBondContact NH2-NE2 3.27Å; K778-H930 PolarHBondContact NZ-O 2.99Å; T927-H930 VanDerWaalsContact O-CB 3.3Å; T927-H930 WeakPolarHBondContact O-CB 3.33Å; T927-H930 PolarHBondContact O-N 2.91Å; T927-H930 VanDerWaalsContact O-N 3.11Å; V928-H930 PolarHBondContact O-N 3.35Å
931	G	91.6	Very high	94.7	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	12%	0.119	C	C	.	.	S	Bend	trans	-76.3	157	-179.9	0	0	0	0	0	114.2	K778 V928 C929 Y935	K778-G931 PolarHBondContact NZ-O 3.49Å; K778-G931 VanDerWaalsContact NZ-O 3.1Å; V928-G931 PolarHBondContact O-N 2.87Å; C929-G931 VanDerWaalsContact C-N 3.31Å; G931-Y935 WeakPolarHBondContact O-CD1 3.31Å; G931-Y935 PolarHBondContact O-N 3.19Å
932	F	91.1	Very high	94.7	Very high	65 Å²	65	23.2 Å²	23.2	29%	0.285	12%	0.119	S	C	.	.	H	α-helix	trans	-71.9	-40.6	173.3	-176.1	-85	0	0	0	111.5	K778 Q780 Q898 Y935 L936	K778-F932 HydrophobicContact CD-CD2 4.29Å; Q780-F932 HydrophobicContact CG-CE2 3.85Å; Q780-F932 HydrophobicContact CG-CZ 4.11Å; Q898-F932 VanDerWaalsContact OE1-N 3.12Å; F932-Y935 AromaticContact CD2-CE1 3.7Å; F932-Y935 HydrophobicContact CD2-CE1 3.7Å; F932-Y935 AromaticContact CE2-CE1 3.74Å; F932-Y935 HydrophobicContact CE2-CE1 3.74Å; F932-Y935 HydrophobicContact CG-CE1 4.1Å; F932-Y935 HydrophobicContact CZ-CE1 4.18Å; F932-Y935 WeakPolarHBondContact O-CD1 3.31Å; F932-Y935 WeakPolarHBondContact O-CE1 3.44Å; F932-L936 HydrophobicContact CE1-CD1 3.92Å; F932-L936 HydrophobicContact CZ-CD1 4.22Å
933	A	91.6	Very high	94.6	Very high	19 Å²	19	25.3 Å²	25.3	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-46.8	172.3	0	0	0	0	0	110.9	I903 Y935 L936 F937	I903-A933 HydrophobicContact CD1-CB 3.69Å; A933-Y935 PolarHBondContact O-N 3.44Å; A933-L936 PolarHBondContact O-N 2.92Å; A933-F937 WeakPolarHBondContact O-CD2 3.5Å; A933-F937 PolarHBondContact O-N 2.87Å
934	G	92.3	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-35.3	-171	0	0	0	0	0	115.4	V928 L936 A938	V928-G934 CarbonylContact O-C 3.49Å; V928-G934 VanDerWaalsContact O-CA 3.27Å; V928-G934 WeakPolarHBondContact O-CA 3.42Å; G934-L936 VanDerWaalsContact C-N 3.31Å; G934-L936 PolarHBondContact O-N 3.06Å; G934-A938 WeakPolarHBondContact O-CB 3.46Å; G934-A938 PolarHBondContact O-N 2.84Å
935	Y	91.7	Very high	94.6	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-67.3	-31	178.5	91.8	-80.7	0	0	0	113.2	K778 G931 F932 A933 F971	K778-Y935 HydrophobicContact CB-CE1 4.36Å; K778-Y935 HydrophobicContact CB-CE2 4.33Å; K778-Y935 HydrophobicContact CD-CD1 3.6Å; K778-Y935 HydrophobicContact CD-CE1 3.68Å; K778-Y935 HydrophobicContact CD-CG 4.15Å; K778-Y935 HydrophobicContact CG-CD1 4.17Å; K778-Y935 HydrophobicContact CG-CD2 4.41Å; K778-Y935 HydrophobicContact CG-CE1 4.17Å; K778-Y935 HydrophobicContact CG-CE2 4.4Å; K778-Y935 HydrophobicContact CG-CG 4.31Å; G931-Y935 WeakPolarHBondContact O-CD1 3.31Å; G931-Y935 PolarHBondContact O-N 3.19Å; F932-Y935 AromaticContact CD2-CE1 3.7Å; F932-Y935 HydrophobicContact CD2-CE1 3.7Å; F932-Y935 AromaticContact CE2-CE1 3.74Å; F932-Y935 HydrophobicContact CE2-CE1 3.74Å; F932-Y935 HydrophobicContact CG-CE1 4.1Å; F932-Y935 HydrophobicContact CZ-CE1 4.18Å; F932-Y935 WeakPolarHBondContact O-CD1 3.31Å; F932-Y935 WeakPolarHBondContact O-CE1 3.44Å; A933-Y935 PolarHBondContact O-N 3.44Å; Y935-F971 HydrophobicContact CD2-CD1 4.13Å; Y935-F971 AromaticContact CD2-CE1 3.67Å; Y935-F971 HydrophobicContact CD2-CE1 3.67Å; Y935-F971 HydrophobicContact CE2-CD1 4.06Å; Y935-F971 AromaticContact CE2-CE1 3.75Å; Y935-F971 HydrophobicContact CE2-CE1 3.75Å
936	L	89.1	Confident	94.5	Very high	70 Å²	70	30.6 Å²	30.6	37%	0.366	16%	0.16	S	C	.	.	H	α-helix	trans	-70.8	-56.2	174.2	-66.3	173	0	0	0	110.6	F932 A933 G934 A938 W939 D940	F932-L936 HydrophobicContact CE1-CD1 3.92Å; F932-L936 HydrophobicContact CZ-CD1 4.22Å; A933-L936 PolarHBondContact O-N 2.92Å; G934-L936 VanDerWaalsContact C-N 3.31Å; G934-L936 PolarHBondContact O-N 3.06Å; L936-A938 VanDerWaalsContact C-N 3.32Å; L936-A938 PolarHBondContact O-N 2.54Å; L936-W939 PolarHBondContact O-N 2.72Å; L936-D940 PolarHBondContact O-N 2.94Å
937	F	92	Very high	94.4	Very high	51 Å²	51	31.9 Å²	31.9	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-38.6	-178.8	-87.8	-83.5	0	0	0	113.1	Y53 P900 I903 A933 F941	Y53-F937 HydrophobicContact CE1-CD1 4.41Å; Y53-F937 AromaticContact CE1-CE1 3.85Å; Y53-F937 HydrophobicContact CE1-CE1 3.85Å; P900-F937 HydrophobicContact CB-CE2 3.8Å; P900-F937 HydrophobicContact CB-CZ 3.87Å; P900-F937 HydrophobicContact CG-CE2 4.23Å; I903-F937 HydrophobicContact CG2-CB 3.86Å; I903-F937 HydrophobicContact CG2-CG 4.39Å; A933-F937 WeakPolarHBondContact O-CD2 3.5Å; A933-F937 PolarHBondContact O-N 2.87Å; F937-F941 VanDerWaalsContact O-CB 3.23Å; F937-F941 WeakPolarHBondContact O-CB 3.5Å; F937-F941 PolarHBondContact O-N 3.42Å
938	A	95.8	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-41.7	-179.7	0	0	0	0	0	111.8	V928 C929 G934 L936 F941 I942 T967	V928-A938 HydrophobicContact CG2-CB 3.93Å; C929-A938 VanDerWaalsContact SG-CB 3.56Å; G934-A938 WeakPolarHBondContact O-CB 3.46Å; G934-A938 PolarHBondContact O-N 2.84Å; L936-A938 VanDerWaalsContact C-N 3.32Å; L936-A938 PolarHBondContact O-N 2.54Å; A938-F941 WeakPolarHBondContact O-CB 3.17Å; A938-F941 PolarHBondContact O-N 3.09Å; A938-I942 WeakPolarHBondContact O-CG1 3.26Å; A938-I942 PolarHBondContact O-N 2.92Å; A938-I942 VanDerWaalsContact O-N 3.07Å; A938-T967 HydrophobicContact CB-CG2 3.96Å
939	W	95.6	Very high	94.1	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-48.7	178.2	174.9	-108.8	0	0	0	111.9	L936 F941 I942 Q943 T968 F971 Q979 V980 F983 F984	L936-W939 PolarHBondContact O-N 2.72Å; W939-F941 VanDerWaalsContact C-N 3.27Å; W939-F941 PolarHBondContact O-N 3.44Å; W939-I942 WeakPolarHBondContact O-CB 3.47Å; W939-I942 PolarHBondContact O-N 3Å; W939-I942 VanDerWaalsContact O-N 3.08Å; W939-Q943 HydrophobicContact CD2-CG 4.29Å; W939-Q943 HydrophobicContact CZ2-CG 3.9Å; W939-Q943 WeakPolarHBondContact O-CG 3.46Å; W939-Q943 PolarHBondContact O-N 3.47Å; W939-T968 HydrophobicContact CE3-CG2 4.06Å; W939-T968 HydrophobicContact CH2-CG2 4.5Å; W939-T968 HydrophobicContact CZ3-CG2 3.77Å; W939-F971 HydrophobicContact CB-CZ 3.93Å; W939-F971 HydrophobicContact CD2-CE2 4.11Å; W939-F971 HydrophobicContact CD2-CZ 4.29Å; W939-F971 HydrophobicContact CE3-CE2 4.47Å; W939-F971 HydrophobicContact CG-CE2 4.12Å; W939-F971 AromaticContact CG-CZ 3.8Å; W939-F971 HydrophobicContact CG-CZ 3.8Å; W939-Q979 VanDerWaalsContact NE1-CD 3.32Å; W939-V980 HydrophobicContact CH2-CB 4.3Å; W939-V980 HydrophobicContact CH2-CG1 4.34Å; W939-V980 HydrophobicContact CH2-CG2 3.81Å; W939-V980 HydrophobicContact CZ2-CB 4.36Å; W939-V980 HydrophobicContact CZ2-CG2 3.75Å; W939-V980 HydrophobicContact CZ3-CG2 4.32Å; W939-F983 HydrophobicContact CH2-CB 4.36Å; W939-F983 AromaticContact CH2-CD1 3.65Å; W939-F983 HydrophobicContact CH2-CD1 3.65Å; W939-F983 HydrophobicContact CH2-CE1 4.32Å; W939-F983 HydrophobicContact CH2-CG 4.24Å; W939-F983 HydrophobicContact CZ2-CB 4.13Å; W939-F983 HydrophobicContact CZ2-CD1 4.13Å; W939-F983 HydrophobicContact CZ2-CG 4.26Å; W939-F984 HydrophobicContact CH2-CD2 4.41Å; W939-F984 AromaticContact CH2-CE2 3.73Å; W939-F984 HydrophobicContact CH2-CE2 3.73Å; W939-F984 HydrophobicContact CH2-CZ 4.32Å; W939-F984 HydrophobicContact CZ3-CE2 4.02Å; W939-F984 HydrophobicContact CZ3-CZ 4.33Å
940	D	94.9	Very high	94	Very high	55 Å²	55	37.9 Å²	37.9	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-57.1	-41.5	175.4	-73.3	-15	0	0	0	111.7	L936 I942 Q943 V944	L936-D940 PolarHBondContact O-N 2.94Å; D940-I942 VanDerWaalsContact C-N 3.34Å; D940-I942 PolarHBondContact O-N 2.88Å; D940-Q943 PolarHBondContact O-N 3.38Å; D940-Q943 VanDerWaalsContact O-N 3.14Å; D940-V944 WeakPolarHBondContact O-CG2 3.14Å; D940-V944 PolarHBondContact O-N 2.95Å
941	F	96.9	Very high	93.9	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.114	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-40.2	176	176.3	-95.7	0	0	0	112.8	L907 L911 L921 F937 A938 W939 N945	L907-F941 HydrophobicContact CB-CD1 4.3Å; L907-F941 HydrophobicContact CB-CD2 3.95Å; L907-F941 HydrophobicContact CB-CE1 4.18Å; L907-F941 HydrophobicContact CB-CE2 3.81Å; L907-F941 HydrophobicContact CB-CG 4.19Å; L907-F941 HydrophobicContact CB-CZ 3.92Å; L907-F941 HydrophobicContact CD1-CB 4.22Å; L907-F941 HydrophobicContact CD1-CG 4.18Å; L907-F941 HydrophobicContact CD2-CD1 4.23Å; L907-F941 HydrophobicContact CD2-CE1 4.34Å; L907-F941 WeakPolarHBondContact O-CZ 3.22Å; L911-F941 HydrophobicContact CB-CZ 3.85Å; L911-F941 HydrophobicContact CD2-CE1 4.41Å; L911-F941 HydrophobicContact CD2-CE2 4.2Å; L911-F941 HydrophobicContact CD2-CZ 3.63Å; L911-F941 HydrophobicContact CG-CZ 4.36Å; L921-F941 HydrophobicContact CD1-CE1 4.38Å; F937-F941 VanDerWaalsContact O-CB 3.23Å; F937-F941 WeakPolarHBondContact O-CB 3.5Å; F937-F941 PolarHBondContact O-N 3.42Å; A938-F941 WeakPolarHBondContact O-CB 3.17Å; A938-F941 PolarHBondContact O-N 3.09Å; W939-F941 VanDerWaalsContact C-N 3.27Å; W939-F941 PolarHBondContact O-N 3.44Å; F941-N945 WeakPolarHBondContact CD2-ND2 3.5Å; F941-N945 WeakPolarHBondContact O-CB 3.46Å; F941-N945 PolarHBondContact O-N 3.03Å; F941-N945 PolarHBondContact O-ND2 3.02Å
942	I	96.1	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-43.7	173	-59.6	-43.8	0	0	0	111.2	I925 A938 W939 D940 V944 N945 W946 L949 I963 T967	I925-I942 HydrophobicContact CD1-CD1 3.9Å; A938-I942 WeakPolarHBondContact O-CG1 3.26Å; A938-I942 PolarHBondContact O-N 2.92Å; A938-I942 VanDerWaalsContact O-N 3.07Å; W939-I942 WeakPolarHBondContact O-CB 3.47Å; W939-I942 PolarHBondContact O-N 3Å; W939-I942 VanDerWaalsContact O-N 3.08Å; D940-I942 VanDerWaalsContact C-N 3.34Å; D940-I942 PolarHBondContact O-N 2.88Å; I942-V944 VanDerWaalsContact C-N 3.27Å; I942-V944 PolarHBondContact O-N 3.24Å; I942-N945 PolarHBondContact O-N 3.3Å; I942-W946 HydrophobicContact CG2-CE3 3.57Å; I942-W946 HydrophobicContact CG2-CZ3 3.8Å; I942-W946 PolarHBondContact O-N 2.83Å; I942-W946 VanDerWaalsContact O-N 3.09Å; I942-L949 HydrophobicContact CD1-CD1 3.6Å; I942-L949 HydrophobicContact CG2-CD1 4.29Å; I942-I963 HydrophobicContact CD1-CG2 3.38Å; I942-I963 HydrophobicContact CG1-CG2 3.9Å; I942-T967 HydrophobicContact CG1-CG2 3.85Å
943	Q	95.6	Very high	93.9	Very high	59 Å²	59	40.5 Å²	40.5	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-37.5	-179.9	-58.7	-154.3	-100.2	0	0	112.2	W939 D940 F983	W939-Q943 HydrophobicContact CD2-CG 4.29Å; W939-Q943 HydrophobicContact CZ2-CG 3.9Å; W939-Q943 WeakPolarHBondContact O-CG 3.46Å; W939-Q943 PolarHBondContact O-N 3.47Å; D940-Q943 PolarHBondContact O-N 3.38Å; D940-Q943 VanDerWaalsContact O-N 3.14Å; Q943-F983 HydrophobicContact CB-CD2 4.25Å; Q943-F983 HydrophobicContact CB-CE2 3.99Å; Q943-F983 HydrophobicContact CB-CZ 4.49Å; Q943-F983 HydrophobicContact CG-CD2 4.09Å; Q943-F983 HydrophobicContact CG-CE2 4.2Å; Q943-F983 HydrophobicContact CG-CG 4.35Å; Q943-F983 VanDerWaalsContact NE2-CD2 3.27Å
944	V	96.7	Very high	93.8	Very high	108 Å²	108	41 Å²	41	66%	0.655	20%	0.202	S	C	*	.	H	α-helix	trans	-79	-37.1	179.9	173.7	0	0	0	0	112.9	D940 I942	D940-V944 WeakPolarHBondContact O-CG2 3.14Å; D940-V944 PolarHBondContact O-N 2.95Å; I942-V944 VanDerWaalsContact C-N 3.27Å; I942-V944 PolarHBondContact O-N 3.24Å
945	N	97.1	Very high	93.8	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-104.5	9.9	-170.5	-65.5	-88.4	0	0	0	114.7	L911 F941 I942 D947 R948 L949	L911-N945 HydrophobicContact CD2-CB 3.66Å; L911-N945 WeakPolarHBondContact CD2-OD1 3.36Å; F941-N945 WeakPolarHBondContact CD2-ND2 3.5Å; F941-N945 WeakPolarHBondContact O-CB 3.46Å; F941-N945 PolarHBondContact O-N 3.03Å; F941-N945 PolarHBondContact O-ND2 3.02Å; I942-N945 PolarHBondContact O-N 3.3Å; N945-D947 VanDerWaalsContact C-N 3.33Å; N945-D947 PolarHBondContact O-N 2.78Å; N945-R948 WeakPolarHBondContact O-CB 3.25Å; N945-R948 PolarHBondContact O-N 3.13Å; N945-L949 WeakPolarHBondContact O-CG 3.45Å; N945-L949 PolarHBondContact O-N 2.96Å
946	W	96.2	Very high	93.7	Very high	4 Å²	4	42 Å²	42	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-48.9	-47.8	-173.6	-171.4	-100.7	0	0	0	114.5	I942 R948 L949 I950 L955 I960 V964 F983 F984 L987 R990 M994	I942-W946 HydrophobicContact CG2-CE3 3.57Å; I942-W946 HydrophobicContact CG2-CZ3 3.8Å; I942-W946 PolarHBondContact O-N 2.83Å; I942-W946 VanDerWaalsContact O-N 3.09Å; W946-R948 VanDerWaalsContact C-N 3.32Å; W946-R948 PolarHBondContact O-N 3.31Å; W946-L949 WeakPolarHBondContact O-CB 3.47Å; W946-L949 PolarHBondContact O-N 3.17Å; W946-L949 VanDerWaalsContact O-N 3.09Å; W946-I950 HydrophobicContact CD2-CG2 4.26Å; W946-I950 HydrophobicContact CZ2-CG2 3.81Å; W946-I950 PolarHBondContact O-N 3.15Å; W946-L955 HydrophobicContact CZ2-CD2 4.26Å; W946-I960 HydrophobicContact CH2-CG2 3.9Å; W946-V964 HydrophobicContact CH2-CG2 4.04Å; W946-V964 HydrophobicContact CZ3-CG2 4.2Å; W946-F983 HydrophobicContact CB-CZ 4.06Å; W946-F983 HydrophobicContact CD2-CE1 4.45Å; W946-F983 HydrophobicContact CD2-CZ 4.25Å; W946-F983 HydrophobicContact CE3-CE1 4.27Å; W946-F983 HydrophobicContact CE3-CZ 4.3Å; W946-F983 HydrophobicContact CG-CZ 4.13Å; W946-F984 AromaticContact CH2-CE1 3.82Å; W946-F984 HydrophobicContact CH2-CE1 3.82Å; W946-F984 HydrophobicContact CZ2-CE1 4.2Å; W946-F984 HydrophobicContact CZ3-CE1 4.08Å; W946-F984 HydrophobicContact CZ3-CZ 4.47Å; W946-L987 HydrophobicContact CD2-CD1 4.05Å; W946-L987 HydrophobicContact CG-CD1 4.13Å; W946-L987 HydrophobicContact CG-CD2 4.22Å; W946-L987 HydrophobicContact CZ2-CD1 4.22Å; W946-R990 PolarHBondContact NE1-O 3.13Å; W946-M994 HydrophobicContact CH2-CE 3.87Å; W946-M994 HydrophobicContact CZ2-CE 3.87Å
947	D	93.9	Very high	93.9	Very high	88 Å²	88	38.9 Å²	38.9	47%	0.471	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-34.4	-178.1	-69.4	-48.8	0	0	0	112.4	N945 I950 E951 R990	N945-D947 VanDerWaalsContact C-N 3.33Å; N945-D947 PolarHBondContact O-N 2.78Å; D947-I950 WeakPolarHBondContact O-CG1 2.88Å; D947-E951 PolarHBondContact O-N 2.8Å; D947-R990 IonicContact OD1-CZ 3.76Å; D947-R990 IonicContact OD1-NH1 2.76Å; D947-R990 PolarHBondContact OD1-NH1 3.33Å; D947-R990 IonicContact OD2-NH1 3.17Å; D947-R990 PolarHBondContact OD2-NH1 3.24Å
948	R	94.4	Very high	93.9	Very high	100 Å²	100	43.2 Å²	43.2	38%	0.377	21%	0.211	S	C	.	.	H	α-helix	trans	-70.6	-34.4	172.5	-66.5	178.1	67.3	-164.9	4	112.3	L911 N912 N945 W946 K952	L911-R948 HydrophobicContact CD1-CB 4.36Å; L911-R948 HydrophobicContact CD2-CB 4.47Å; N912-R948 PolarHBondContact OD1-NH2 2.88Å; N945-R948 WeakPolarHBondContact O-CB 3.25Å; N945-R948 PolarHBondContact O-N 3.13Å; W946-R948 VanDerWaalsContact C-N 3.32Å; W946-R948 PolarHBondContact O-N 3.31Å; R948-K952 PolarHBondContact O-N 3.02Å
949	L	95.4	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-44.2	178.6	-69.5	167.2	0	0	0	111	L911 L921 I942 N945 W946 E951 K952 F953 I960 I963	L911-L949 HydrophobicContact CD1-CD2 3.92Å; L921-L949 HydrophobicContact CD2-CD2 3.64Å; I942-L949 HydrophobicContact CD1-CD1 3.6Å; I942-L949 HydrophobicContact CG2-CD1 4.29Å; N945-L949 WeakPolarHBondContact O-CG 3.45Å; N945-L949 PolarHBondContact O-N 2.96Å; W946-L949 WeakPolarHBondContact O-CB 3.47Å; W946-L949 PolarHBondContact O-N 3.17Å; W946-L949 VanDerWaalsContact O-N 3.09Å; L949-E951 VanDerWaalsContact C-N 3.29Å; L949-E951 PolarHBondContact O-N 2.89Å; L949-K952 PolarHBondContact O-N 2.89Å; L949-F953 HydrophobicContact CD2-CD2 4.48Å; L949-F953 HydrophobicContact CD2-CE2 4.25Å; L949-F953 WeakPolarHBondContact O-CD2 3.27Å; L949-F953 PolarHBondContact O-N 3.07Å; L949-I960 HydrophobicContact CB-CD1 4.31Å; L949-I963 HydrophobicContact CD2-CD1 4.25Å
950	I	92.9	Very high	93.9	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.195	21%	0.212	C	C	.	.	H	α-helix	trans	-77.5	-13.8	179.5	69.6	177.8	0	0	0	113.6	W946 D947 F953 L955 I960 R990	W946-I950 HydrophobicContact CD2-CG2 4.26Å; W946-I950 HydrophobicContact CZ2-CG2 3.81Å; W946-I950 PolarHBondContact O-N 3.15Å; D947-I950 WeakPolarHBondContact O-CG1 2.88Å; I950-F953 CarbonylContact C-O 3.54Å; I950-F953 WeakPolarHBondContact CA-O 3.42Å; I950-L955 HydrophobicContact CB-CD2 4.22Å; I950-L955 HydrophobicContact CB-CG 4.4Å; I950-L955 HydrophobicContact CG2-CD2 3.6Å; I950-L955 HydrophobicContact CG2-CG 4.31Å; I950-I960 HydrophobicContact CG2-CD1 4.24Å; I950-R990 HydrophobicContact CD1-CB 4.13Å
951	E	90.3	Very high	93.9	Very high	138 Å²	138	41.4 Å²	41.4	65%	0.645	20%	0.202	S	C	*	.	H	α-helix	trans	-74.3	-35.2	166.4	-170.5	-171.2	168.1	0	0	111.7	D947 L949	D947-E951 PolarHBondContact O-N 2.8Å; L949-E951 VanDerWaalsContact C-N 3.29Å; L949-E951 PolarHBondContact O-N 2.89Å
952	K	91.3	Very high	93.8	Very high	54 Å²	54	41.6 Å²	41.6	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-92.8	-22.9	-179	-69.3	-52	-167.2	-169.4	0	115.1	H267 S268 T918 R948 L949	H267-K952 PolarHBondContact O-NZ 3.36Å; S268-K952 PolarHBondContact OG-O 2.88Å; S268-K952 VanDerWaalsContact OG-O 3.06Å; T918-K952 HydrophobicContact CG2-CB 4.45Å; T918-K952 HydrophobicContact CG2-CG 4.47Å; R948-K952 PolarHBondContact O-N 3.02Å; L949-K952 PolarHBondContact O-N 2.89Å
953	F	93	Very high	93.9	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.205	C	C	.	.	S	Bend	trans	-132.7	125	179	-52	-61.6	0	0	0	109.2	Y269 L425 T918 L921 P922 L949 I950 A959 I960 I963	Y269-F953 HydrophobicContact CD2-CD1 4.39Å; Y269-F953 HydrophobicContact CD2-CE1 4.25Å; Y269-F953 AromaticContact CE2-CE1 3.96Å; Y269-F953 HydrophobicContact CE2-CE1 3.96Å; L425-F953 HydrophobicContact CD1-CD1 3.71Å; L425-F953 HydrophobicContact CD1-CE1 3.55Å; L425-F953 HydrophobicContact CD2-CD1 3.96Å; T918-F953 HydrophobicContact CG2-CE2 4.41Å; T918-F953 HydrophobicContact CG2-CZ 3.84Å; T918-F953 WeakPolarHBondContact O-CZ 3.49Å; L921-F953 HydrophobicContact CB-CZ 4.43Å; L921-F953 HydrophobicContact CD2-CE2 4.32Å; P922-F953 HydrophobicContact CG-CZ 4.41Å; L949-F953 HydrophobicContact CD2-CD2 4.48Å; L949-F953 HydrophobicContact CD2-CE2 4.25Å; L949-F953 WeakPolarHBondContact O-CD2 3.27Å; L949-F953 PolarHBondContact O-N 3.07Å; I950-F953 CarbonylContact C-O 3.54Å; I950-F953 WeakPolarHBondContact CA-O 3.42Å; F953-A959 HydrophobicContact CB-CB 4.06Å; F953-A959 HydrophobicContact CD1-CB 3.66Å; F953-A959 HydrophobicContact CD2-CB 4.36Å; F953-A959 HydrophobicContact CE1-CB 4.15Å; F953-A959 HydrophobicContact CG-CB 3.77Å; F953-I960 HydrophobicContact CB-CD1 3.91Å; F953-I960 HydrophobicContact CB-CG1 3.79Å; F953-I960 HydrophobicContact CD2-CD1 4.31Å; F953-I963 HydrophobicContact CD2-CD1 4.26Å; F953-I963 HydrophobicContact CE2-CD1 4.1Å
954	P	89.4	Confident	93.9	Very high	29 Å²	29	38.8 Å²	38.8	19%	0.188	19%	0.192	C	C	.	.			trans	-54.1	145.6	178.2	-25.8	34.1	0	0	0	112.6	G956 S957 I960	P954-G956 PolarHBondContact O-N 3.18Å; P954-S957 WeakPolarHBondContact O-CB 3.26Å; P954-S957 PolarHBondContact O-N 3.14Å; P954-S957 VanDerWaalsContact O-N 3.09Å; P954-S957 PolarHBondContact O-OG 2.9Å; P954-I960 WeakPolarHBondContact O-CG1 3.23Å
955	L	91.2	Very high	93.9	Very high	32 Å²	32	39.3 Å²	39.3	17%	0.168	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	137.4	171.1	-76.6	173.3	0	0	0	109.8	E536 W946 I950 S957 M994	E536-L955 HydrophobicContact CB-CB 4.49Å; E536-L955 HydrophobicContact CG-CB 3.69Å; E536-L955 HydrophobicContact CG-CD1 4.48Å; W946-L955 HydrophobicContact CZ2-CD2 4.26Å; I950-L955 HydrophobicContact CB-CD2 4.22Å; I950-L955 HydrophobicContact CB-CG 4.4Å; I950-L955 HydrophobicContact CG2-CD2 3.6Å; I950-L955 HydrophobicContact CG2-CG 4.31Å; L955-S957 PolarHBondContact O-N 3.48Å; L955-M994 HydrophobicContact CD2-SD 3.85Å
956	G	90.1	Very high	93.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-18.7	-173.2	0	0	0	0	0	115	P954 Q961	P954-G956 PolarHBondContact O-N 3.18Å; G956-Q961 WeakPolarHBondContact O-CG 3.49Å; G956-Q961 PolarHBondContact O-NE2 3.46Å
957	S	93.3	Very high	93.9	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.028	18%	0.181	C	C	.	.	S	Bend	trans	-60.2	153.3	-177.4	67.4	0	0	0	0	113.2	E539 P954 L955 A959 I960 Q961	E539-S957 WeakPolarHBondContact OE2-CA 3.41Å; E539-S957 WeakPolarHBondContact OE2-CB 3.38Å; P954-S957 WeakPolarHBondContact O-CB 3.26Å; P954-S957 PolarHBondContact O-N 3.14Å; P954-S957 VanDerWaalsContact O-N 3.09Å; P954-S957 PolarHBondContact O-OG 2.9Å; L955-S957 PolarHBondContact O-N 3.48Å; S957-A959 PolarHBondContact O-N 3.44Å; S957-I960 PolarHBondContact O-N 2.81Å; S957-Q961 WeakPolarHBondContact O-CG 3.43Å; S957-Q961 PolarHBondContact O-N 3.39Å
958	F	91.7	Very high	94	Very high	141 Å²	141	34.1 Å²	34.1	62%	0.618	16%	0.159	S	C	*	.	H	α-helix	trans	-50.8	-34.1	178.7	-177.2	-93.8	0	0	0	113.5	T962	F958-T962 WeakPolarHBondContact CE1-OG1 3.29Å; F958-T962 WeakPolarHBondContact O-CB 3.32Å; F958-T962 PolarHBondContact O-N 2.85Å; F958-T962 PolarHBondContact O-OG1 2.58Å
959	A	94.6	Very high	94	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-49.1	176.1	0	0	0	0	0	112.2	L425 P922 F953 S957 T962 I963	L425-A959 HydrophobicContact CD1-CB 4.06Å; L425-A959 HydrophobicContact CD2-CB 4.44Å; P922-A959 HydrophobicContact CG-CB 3.88Å; F953-A959 HydrophobicContact CB-CB 4.06Å; F953-A959 HydrophobicContact CD1-CB 3.66Å; F953-A959 HydrophobicContact CD2-CB 4.36Å; F953-A959 HydrophobicContact CE1-CB 4.15Å; F953-A959 HydrophobicContact CG-CB 3.77Å; S957-A959 PolarHBondContact O-N 3.44Å; A959-T962 PolarHBondContact O-N 3.05Å; A959-I963 WeakPolarHBondContact O-CB 3.39Å; A959-I963 VanDerWaalsContact O-CG1 3.23Å; A959-I963 WeakPolarHBondContact O-CG1 3.46Å; A959-I963 PolarHBondContact O-N 3.18Å
960	I	96.1	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-44.8	175.5	-66.5	-61.9	0	0	0	110.8	W946 L949 I950 F953 P954 S957 T962 I963 V964 M994	W946-I960 HydrophobicContact CH2-CG2 3.9Å; L949-I960 HydrophobicContact CB-CD1 4.31Å; I950-I960 HydrophobicContact CG2-CD1 4.24Å; F953-I960 HydrophobicContact CB-CD1 3.91Å; F953-I960 HydrophobicContact CB-CG1 3.79Å; F953-I960 HydrophobicContact CD2-CD1 4.31Å; P954-I960 WeakPolarHBondContact O-CG1 3.23Å; S957-I960 PolarHBondContact O-N 2.81Å; I960-T962 VanDerWaalsContact C-N 3.3Å; I960-T962 PolarHBondContact O-N 2.83Å; I960-I963 PolarHBondContact O-N 2.9Å; I960-V964 HydrophobicContact CG2-CG2 4.32Å; I960-V964 WeakPolarHBondContact O-CG2 3.28Å; I960-V964 PolarHBondContact O-N 3.21Å; I960-M994 HydrophobicContact CG2-CE 3.89Å; I960-M994 HydrophobicContact CG2-SD 3.96Å
961	Q	95.1	Very high	94.2	Very high	19 Å²	19	30.6 Å²	30.6	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-55.8	-46.1	175.6	-64.5	-174.2	48.2	0	0	111.4	G956 S957 K965	G956-Q961 WeakPolarHBondContact O-CG 3.49Å; G956-Q961 PolarHBondContact O-NE2 3.46Å; S957-Q961 WeakPolarHBondContact O-CG 3.43Å; S957-Q961 PolarHBondContact O-N 3.39Å; Q961-K965 VanDerWaalsContact O-CB 3.25Å; Q961-K965 WeakPolarHBondContact O-CB 3.46Å; Q961-K965 PolarHBondContact O-N 3.3Å
962	T	95.5	Very high	94.5	Very high	29 Å²	29	24.1 Å²	24.1	18%	0.178	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-41.2	178.9	-65.2	0	0	0	0	112.3	P922 F958 A959 I960 S966	P922-T962 HydrophobicContact CB-CG2 4.02Å; F958-T962 WeakPolarHBondContact CE1-OG1 3.29Å; F958-T962 WeakPolarHBondContact O-CB 3.32Å; F958-T962 PolarHBondContact O-N 2.85Å; F958-T962 PolarHBondContact O-OG1 2.58Å; A959-T962 PolarHBondContact O-N 3.05Å; I960-T962 VanDerWaalsContact C-N 3.3Å; I960-T962 PolarHBondContact O-N 2.83Å; T962-S966 WeakPolarHBondContact O-CB 3.42Å; T962-S966 PolarHBondContact O-N 3.08Å; T962-S966 PolarHBondContact O-OG 3.24Å
963	I	97.4	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-48.1	178.2	-74.9	171.9	0	0	0	111.1	P922 I925 I942 L949 F953 A959 I960 S966 T967	P922-I963 HydrophobicContact CB-CG1 4.2Å; P922-I963 HydrophobicContact CG-CD1 4.18Å; P922-I963 HydrophobicContact CG-CG1 4.31Å; I925-I963 HydrophobicContact CD1-CD1 3.91Å; I925-I963 HydrophobicContact CD1-CG1 3.75Å; I925-I963 HydrophobicContact CD1-CG2 4.2Å; I942-I963 HydrophobicContact CD1-CG2 3.38Å; I942-I963 HydrophobicContact CG1-CG2 3.9Å; L949-I963 HydrophobicContact CD2-CD1 4.25Å; F953-I963 HydrophobicContact CD2-CD1 4.26Å; F953-I963 HydrophobicContact CE2-CD1 4.1Å; A959-I963 WeakPolarHBondContact O-CB 3.39Å; A959-I963 VanDerWaalsContact O-CG1 3.23Å; A959-I963 WeakPolarHBondContact O-CG1 3.46Å; A959-I963 PolarHBondContact O-N 3.18Å; I960-I963 PolarHBondContact O-N 2.9Å; I963-S966 PolarHBondContact O-N 2.86Å; I963-T967 PolarHBondContact O-N 3.12Å; I963-T967 VanDerWaalsContact O-N 3.16Å; I963-T967 PolarHBondContact O-OG1 2.99Å
964	V	97.1	Very high	94.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-49.8	177.7	174.9	0	0	0	0	110.4	W946 I960 S966 T967 T968 F984 A1000	W946-V964 HydrophobicContact CH2-CG2 4.04Å; W946-V964 HydrophobicContact CZ3-CG2 4.2Å; I960-V964 HydrophobicContact CG2-CG2 4.32Å; I960-V964 WeakPolarHBondContact O-CG2 3.28Å; I960-V964 PolarHBondContact O-N 3.21Å; V964-S966 PolarHBondContact O-N 2.98Å; V964-T967 PolarHBondContact O-N 2.78Å; V964-T967 PolarHBondContact O-OG1 2.91Å; V964-T968 WeakPolarHBondContact O-CB 3.13Å; V964-T968 WeakPolarHBondContact O-CG2 3.5Å; V964-T968 PolarHBondContact O-N 3.44Å; V964-T968 VanDerWaalsContact O-N 3.16Å; V964-T968 PolarHBondContact O-OG1 2.85Å; V964-F984 HydrophobicContact CG1-CE2 4.34Å; V964-F984 HydrophobicContact CG1-CZ 4.03Å; V964-F984 HydrophobicContact CG2-CE1 4.3Å; V964-F984 HydrophobicContact CG2-CZ 3.91Å; V964-A1000 HydrophobicContact CG1-CB 4.07Å
965	K	95.9	Very high	95.3	Very high	119 Å²	119	28.7 Å²	28.7	52%	0.517	15%	0.153	S	C	.	.	H	α-helix	trans	-59.1	-45.3	177.9	-177.9	177.1	179.2	177.1	0	111.9	Q961 T967 T968 S969	Q961-K965 VanDerWaalsContact O-CB 3.25Å; Q961-K965 WeakPolarHBondContact O-CB 3.46Å; Q961-K965 PolarHBondContact O-N 3.3Å; K965-T967 PolarHBondContact O-N 3.09Å; K965-T968 PolarHBondContact O-N 3.29Å; K965-S969 WeakPolarHBondContact O-CB 3.24Å; K965-S969 PolarHBondContact O-N 3.19Å; K965-S969 PolarHBondContact O-OG 2.92Å
966	S	96.1	Very high	95.5	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-39.1	-176.3	-64.7	0	0	0	0	113.3	N926 C929 T962 I963 V964	N926-S966 PolarHBondContact ND2-OG 2.87Å; C929-S966 WeakPolarHBondContact CB-O 3.5Å; C929-S966 PolarHBondContact SG-O 2.94Å; T962-S966 WeakPolarHBondContact O-CB 3.42Å; T962-S966 PolarHBondContact O-N 3.08Å; T962-S966 PolarHBondContact O-OG 3.24Å; I963-S966 PolarHBondContact O-N 2.86Å; V964-S966 PolarHBondContact O-N 2.98Å
967	T	96.5	Very high	95.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-80.4	-25.4	-178.1	50.4	0	0	0	0	113.5	I925 A938 I942 I963 V964 K965 F971	I925-T967 HydrophobicContact CG2-CG2 3.65Å; A938-T967 HydrophobicContact CB-CG2 3.96Å; I942-T967 HydrophobicContact CG1-CG2 3.85Å; I963-T967 PolarHBondContact O-N 3.12Å; I963-T967 VanDerWaalsContact O-N 3.16Å; I963-T967 PolarHBondContact O-OG1 2.99Å; V964-T967 PolarHBondContact O-N 2.78Å; V964-T967 PolarHBondContact O-OG1 2.91Å; K965-T967 PolarHBondContact O-N 3.09Å; T967-F971 WeakPolarHBondContact O-CE2 3.36Å
968	T	96.6	Very high	96.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-107.4	-24.9	-173.6	61.3	0	0	0	0	115.2	W939 V964 K965 Q970 F971 V980 A1000	W939-T968 HydrophobicContact CE3-CG2 4.06Å; W939-T968 HydrophobicContact CH2-CG2 4.5Å; W939-T968 HydrophobicContact CZ3-CG2 3.77Å; V964-T968 WeakPolarHBondContact O-CB 3.13Å; V964-T968 WeakPolarHBondContact O-CG2 3.5Å; V964-T968 PolarHBondContact O-N 3.44Å; V964-T968 VanDerWaalsContact O-N 3.16Å; V964-T968 PolarHBondContact O-OG1 2.85Å; K965-T968 PolarHBondContact O-N 3.29Å; T968-Q970 PolarHBondContact O-N 2.97Å; T968-Q970 VanDerWaalsContact O-N 3.08Å; T968-F971 HydrophobicContact CG2-CD2 4.39Å; T968-F971 HydrophobicContact CG2-CE2 4.29Å; T968-F971 WeakPolarHBondContact O-CB 3.38Å; T968-F971 PolarHBondContact O-N 3.27Å; T968-V980 HydrophobicContact CG2-CG1 4.16Å; T968-V980 HydrophobicContact CG2-CG2 3.93Å; T968-A1000 HydrophobicContact CG2-CB 4.25Å; T968-A1000 VanDerWaalsContact OG1-CB 3.23Å; T968-A1000 WeakPolarHBondContact OG1-CB 3.46Å
969	S	94.3	Very high	96.3	Very high	41 Å²	41	29.4 Å²	29.4	29%	0.287	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.3	-170.8	53.5	0	0	0	0	115.9	K965 N1007	K965-S969 WeakPolarHBondContact O-CB 3.24Å; K965-S969 PolarHBondContact O-N 3.19Å; K965-S969 PolarHBondContact O-OG 2.92Å; S969-N1007 PolarHBondContact O-ND2 2.85Å
970	Q	95.3	Very high	96.4	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.093	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.7	177	-68	175.9	76.5	0	0	113.4	K778 C929 T968	K778-Q970 VanDerWaalsContact CE-OE1 3.31Å; K778-Q970 HydrophobicContact CG-CB 4.2Å; C929-Q970 PolarHBondContact O-NE2 2.94Å; C929-Q970 PolarHBondContact O-OE1 3.02Å; T968-Q970 PolarHBondContact O-N 2.97Å; T968-Q970 VanDerWaalsContact O-N 3.08Å
971	F	96.9	Very high	96.4	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	18%	0.176	C	C	.	.			trans	-72.3	141.2	175.1	-67.7	-31.2	0	0	0	111.2	Y935 W939 T967 T968 H976 V980 I1004 N1007	Y935-F971 HydrophobicContact CD2-CD1 4.13Å; Y935-F971 AromaticContact CD2-CE1 3.67Å; Y935-F971 HydrophobicContact CD2-CE1 3.67Å; Y935-F971 HydrophobicContact CE2-CD1 4.06Å; Y935-F971 AromaticContact CE2-CE1 3.75Å; Y935-F971 HydrophobicContact CE2-CE1 3.75Å; W939-F971 HydrophobicContact CB-CZ 3.93Å; W939-F971 HydrophobicContact CD2-CE2 4.11Å; W939-F971 HydrophobicContact CD2-CZ 4.29Å; W939-F971 HydrophobicContact CE3-CE2 4.47Å; W939-F971 HydrophobicContact CG-CE2 4.12Å; W939-F971 AromaticContact CG-CZ 3.8Å; W939-F971 HydrophobicContact CG-CZ 3.8Å; T967-F971 WeakPolarHBondContact O-CE2 3.36Å; T968-F971 HydrophobicContact CG2-CD2 4.39Å; T968-F971 HydrophobicContact CG2-CE2 4.29Å; T968-F971 WeakPolarHBondContact O-CB 3.38Å; T968-F971 PolarHBondContact O-N 3.27Å; F971-H976 HydrophobicContact CB-CB 3.61Å; F971-H976 HydrophobicContact CD1-CB 4.05Å; F971-H976 AromaticContact CD1-CD2 3.54Å; F971-H976 AromaticContact CD1-CE1 3.65Å; F971-H976 AromaticContact CD1-CG 3.49Å; F971-H976 VanDerWaalsContact CD1-CG 3.49Å; F971-H976 AromaticContact CD1-ND1 3.54Å; F971-H976 AromaticContact CD1-NE2 3.67Å; F971-H976 HydrophobicContact CD2-CB 3.84Å; F971-H976 AromaticContact CE1-CD2 3.56Å; F971-H976 AromaticContact CE1-CG 3.99Å; F971-H976 AromaticContact CE1-NE2 3.67Å; F971-H976 HydrophobicContact CE2-CB 4.5Å; F971-H976 HydrophobicContact CG-CB 3.59Å; F971-H976 AromaticContact CG-CG 3.58Å; F971-H976 AromaticContact CG-ND1 3.86Å; F971-V980 HydrophobicContact CD2-CG2 3.94Å; F971-V980 HydrophobicContact CE2-CG2 3.86Å; F971-I1004 HydrophobicContact CB-CD1 4.14Å; F971-I1004 HydrophobicContact CB-CG1 3.9Å; F971-I1004 HydrophobicContact CB-CG2 4.23Å; F971-I1004 HydrophobicContact CD2-CD1 4.07Å; F971-N1007 WeakPolarHBondContact O-CB 3.47Å; F971-N1007 PolarHBondContact O-ND2 3.49Å
972	S	96.4	Very high	96.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.197	C	C	.	.			trans	-151.9	31.6	-170.7	58.9	0	0	0	0	113.3	R779	R779-S972 VanDerWaalsContact CD-OG 3.27Å; R779-S972 WeakPolarHBondContact CD-OG 3.12Å; R779-S972 WeakPolarHBondContact CG-OG 3.39Å; R779-S972 PolarHBondContact NH1-O 2.97Å
973	T	96.3	Very high	96.6	Very high	39 Å²	39	34.9 Å²	34.9	24%	0.239	19%	0.193	C	C	.	.	S	Bend	trans	-134.4	160.5	179.7	71.8	0	0	0	0	111	H976 L977	T973-H976 PolarHBondContact OG1-N 3.34Å; T973-H976 PolarHBondContact OG1-ND1 2.85Å; T973-L977 PolarHBondContact O-N 2.85Å
974	Q	97.3	Very high	96.5	Very high	82 Å²	82	35 Å²	35	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-40.6	175.7	-171.1	62.1	45.4	0	0	112	H976 L977 D978	Q974-H976 PolarHBondContact O-N 3.23Å; Q974-L977 WeakPolarHBondContact O-CB 3.49Å; Q974-L977 PolarHBondContact O-N 2.91Å; Q974-L977 VanDerWaalsContact O-N 3.13Å; Q974-D978 PolarHBondContact NE2-OD1 3.42Å; Q974-D978 VanDerWaalsContact O-CG 3.22Å; Q974-D978 PolarHBondContact O-N 3.21Å
975	A	96.7	Very high	96.3	Very high	59 Å²	59	38.5 Å²	38.5	49%	0.488	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-43.3	-179.7	0	0	0	0	0	112.7	D978 Q979	A975-D978 PolarHBondContact O-N 3.37Å; A975-Q979 WeakPolarHBondContact O-CB 3.37Å; A975-Q979 PolarHBondContact O-N 3.46Å
976	H	95.9	Very high	96.3	Very high	29 Å²	29	36.2 Å²	36.2	13%	0.134	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-40.3	174.7	-65.3	134.7	0	0	0	111.9	F971 T973 Q974 D978 Q979 V980	F971-H976 HydrophobicContact CB-CB 3.61Å; F971-H976 HydrophobicContact CD1-CB 4.05Å; F971-H976 AromaticContact CD1-CD2 3.54Å; F971-H976 AromaticContact CD1-CE1 3.65Å; F971-H976 AromaticContact CD1-CG 3.49Å; F971-H976 VanDerWaalsContact CD1-CG 3.49Å; F971-H976 AromaticContact CD1-ND1 3.54Å; F971-H976 AromaticContact CD1-NE2 3.67Å; F971-H976 HydrophobicContact CD2-CB 3.84Å; F971-H976 AromaticContact CE1-CD2 3.56Å; F971-H976 AromaticContact CE1-CG 3.99Å; F971-H976 AromaticContact CE1-NE2 3.67Å; F971-H976 HydrophobicContact CE2-CB 4.5Å; F971-H976 HydrophobicContact CG-CB 3.59Å; F971-H976 AromaticContact CG-CG 3.58Å; F971-H976 AromaticContact CG-ND1 3.86Å; T973-H976 PolarHBondContact OG1-N 3.34Å; T973-H976 PolarHBondContact OG1-ND1 2.85Å; Q974-H976 PolarHBondContact O-N 3.23Å; H976-D978 PolarHBondContact O-N 3.36Å; H976-Q979 PolarHBondContact O-N 3.37Å; H976-V980 WeakPolarHBondContact O-CB 3.26Å; H976-V980 VanDerWaalsContact O-CG2 3.25Å; H976-V980 WeakPolarHBondContact O-CG2 3.32Å; H976-V980 PolarHBondContact O-N 3.48Å
977	L	97.6	Very high	96.1	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-46.8	176.6	-179.4	62.3	0	0	0	111.3	T973 Q974 Q981 L1001 I1004 R1005	T973-L977 PolarHBondContact O-N 2.85Å; Q974-L977 WeakPolarHBondContact O-CB 3.49Å; Q974-L977 PolarHBondContact O-N 2.91Å; Q974-L977 VanDerWaalsContact O-N 3.13Å; L977-Q981 VanDerWaalsContact O-CB 3.23Å; L977-Q981 WeakPolarHBondContact O-CB 3.25Å; L977-Q981 PolarHBondContact O-N 2.99Å; L977-L1001 HydrophobicContact CD1-CB 4.33Å; L977-L1001 HydrophobicContact CD1-CD2 3.72Å; L977-I1004 HydrophobicContact CB-CG2 3.77Å; L977-I1004 HydrophobicContact CD1-CB 4.14Å; L977-I1004 HydrophobicContact CD1-CG2 4.18Å; L977-R1005 HydrophobicContact CD1-CG 4Å; L977-R1005 HydrophobicContact CD2-CG 3.57Å; L977-R1005 HydrophobicContact CG-CG 4.47Å
978	D	98	Very high	95.6	Very high	82 Å²	82	43.8 Å²	43.8	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-40.5	-179.7	-61.1	-23.2	0	0	0	111.3	Q974 A975 H976 A982	Q974-D978 PolarHBondContact NE2-OD1 3.42Å; Q974-D978 VanDerWaalsContact O-CG 3.22Å; Q974-D978 PolarHBondContact O-N 3.21Å; A975-D978 PolarHBondContact O-N 3.37Å; H976-D978 PolarHBondContact O-N 3.36Å; D978-A982 WeakPolarHBondContact O-CB 3.5Å; D978-A982 PolarHBondContact O-N 3.42Å
979	Q	96.6	Very high	94.9	Very high	72 Å²	72	52.6 Å²	52.6	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-48.6	176.5	-176.7	178.6	4.6	0	0	112.3	W939 A975 H976 A982 F983	W939-Q979 VanDerWaalsContact NE1-CD 3.32Å; A975-Q979 WeakPolarHBondContact O-CB 3.37Å; A975-Q979 PolarHBondContact O-N 3.46Å; H976-Q979 PolarHBondContact O-N 3.37Å; Q979-A982 PolarHBondContact O-N 2.74Å; Q979-F983 WeakPolarHBondContact O-CB 3.34Å; Q979-F983 PolarHBondContact O-N 2.71Å
980	V	97.1	Very high	94.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-45	177.7	172.8	0	0	0	0	110.1	W939 T968 F971 H976 F983 F984 L1001 I1004	W939-V980 HydrophobicContact CH2-CB 4.3Å; W939-V980 HydrophobicContact CH2-CG1 4.34Å; W939-V980 HydrophobicContact CH2-CG2 3.81Å; W939-V980 HydrophobicContact CZ2-CB 4.36Å; W939-V980 HydrophobicContact CZ2-CG2 3.75Å; W939-V980 HydrophobicContact CZ3-CG2 4.32Å; T968-V980 HydrophobicContact CG2-CG1 4.16Å; T968-V980 HydrophobicContact CG2-CG2 3.93Å; F971-V980 HydrophobicContact CD2-CG2 3.94Å; F971-V980 HydrophobicContact CE2-CG2 3.86Å; H976-V980 WeakPolarHBondContact O-CB 3.26Å; H976-V980 VanDerWaalsContact O-CG2 3.25Å; H976-V980 WeakPolarHBondContact O-CG2 3.32Å; H976-V980 PolarHBondContact O-N 3.48Å; V980-F983 PolarHBondContact O-N 2.91Å; V980-F984 HydrophobicContact CG1-CD2 3.8Å; V980-F984 HydrophobicContact CG1-CE2 3.9Å; V980-F984 WeakPolarHBondContact O-CD2 3.43Å; V980-F984 PolarHBondContact O-N 2.88Å; V980-F984 VanDerWaalsContact O-N 3.1Å; V980-L1001 HydrophobicContact CB-CD2 4.19Å; V980-L1001 HydrophobicContact CG1-CD2 3.75Å; V980-L1001 HydrophobicContact CG1-CG 4.44Å; V980-I1004 HydrophobicContact CB-CD1 4.08Å; V980-I1004 HydrophobicContact CG1-CD1 4.19Å; V980-I1004 HydrophobicContact CG2-CD1 3.86Å
981	Q	96.7	Very high	93.6	Very high	83 Å²	83	54.9 Å²	54.9	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-45	178.5	-173.8	167.3	-24.6	0	0	112	L977 S985 L1001	L977-Q981 VanDerWaalsContact O-CB 3.23Å; L977-Q981 WeakPolarHBondContact O-CB 3.25Å; L977-Q981 PolarHBondContact O-N 2.99Å; Q981-S985 WeakPolarHBondContact O-CB 3.49Å; Q981-S985 PolarHBondContact O-N 2.86Å; Q981-S985 PolarHBondContact O-OG 2.87Å; Q981-L1001 HydrophobicContact CB-CD1 4.5Å; Q981-L1001 HydrophobicContact CB-CD2 3.76Å; Q981-L1001 HydrophobicContact CG-CD1 4.42Å
982	A	96.6	Very high	93	Very high	62 Å²	62	55.9 Å²	55.9	51%	0.512	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-43.9	178.3	0	0	0	0	0	112	D978 Q979 S986	D978-A982 WeakPolarHBondContact O-CB 3.5Å; D978-A982 PolarHBondContact O-N 3.42Å; Q979-A982 PolarHBondContact O-N 2.74Å; A982-S986 PolarHBondContact O-N 3.15Å; A982-S986 VanDerWaalsContact O-N 3.11Å
983	F	96.7	Very high	92.6	Very high	21 Å²	21	62.9 Å²	62.9	9%	0.092	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-59.7	177.8	176	-109.1	0	0	0	111.6	W939 Q943 W946 Q979 V980 S985 S986 L987	W939-F983 HydrophobicContact CH2-CB 4.36Å; W939-F983 AromaticContact CH2-CD1 3.65Å; W939-F983 HydrophobicContact CH2-CD1 3.65Å; W939-F983 HydrophobicContact CH2-CE1 4.32Å; W939-F983 HydrophobicContact CH2-CG 4.24Å; W939-F983 HydrophobicContact CZ2-CB 4.13Å; W939-F983 HydrophobicContact CZ2-CD1 4.13Å; W939-F983 HydrophobicContact CZ2-CG 4.26Å; Q943-F983 HydrophobicContact CB-CD2 4.25Å; Q943-F983 HydrophobicContact CB-CE2 3.99Å; Q943-F983 HydrophobicContact CB-CZ 4.49Å; Q943-F983 HydrophobicContact CG-CD2 4.09Å; Q943-F983 HydrophobicContact CG-CE2 4.2Å; Q943-F983 HydrophobicContact CG-CG 4.35Å; Q943-F983 VanDerWaalsContact NE2-CD2 3.27Å; W946-F983 HydrophobicContact CB-CZ 4.06Å; W946-F983 HydrophobicContact CD2-CE1 4.45Å; W946-F983 HydrophobicContact CD2-CZ 4.25Å; W946-F983 HydrophobicContact CE3-CE1 4.27Å; W946-F983 HydrophobicContact CE3-CZ 4.3Å; W946-F983 HydrophobicContact CG-CZ 4.13Å; Q979-F983 WeakPolarHBondContact O-CB 3.34Å; Q979-F983 PolarHBondContact O-N 2.71Å; V980-F983 PolarHBondContact O-N 2.91Å; F983-S985 VanDerWaalsContact C-N 3.31Å; F983-S985 PolarHBondContact O-N 2.86Å; F983-S986 WeakPolarHBondContact O-CB 3.48Å; F983-S986 PolarHBondContact O-N 2.95Å; F983-S986 PolarHBondContact O-OG 2.91Å; F983-L987 HydrophobicContact CD1-CD1 4.39Å; F983-L987 HydrophobicContact CE1-CD1 3.84Å; F983-L987 HydrophobicContact CE2-CD2 4.44Å; F983-L987 HydrophobicContact CZ-CD1 3.97Å; F983-L987 HydrophobicContact CZ-CD2 4.37Å; F983-L987 HydrophobicContact CZ-CG 4.48Å; F983-L987 PolarHBondContact O-N 2.82Å
984	F	95.6	Very high	92.4	Very high	3 Å²	3	61.4 Å²	61.4	1%	0.013	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-33.7	-176.8	-73.6	-70.4	0	0	0	112.7	W939 W946 V964 V980 S986 L987 S992 V997	W939-F984 HydrophobicContact CH2-CD2 4.41Å; W939-F984 AromaticContact CH2-CE2 3.73Å; W939-F984 HydrophobicContact CH2-CE2 3.73Å; W939-F984 HydrophobicContact CH2-CZ 4.32Å; W939-F984 HydrophobicContact CZ3-CE2 4.02Å; W939-F984 HydrophobicContact CZ3-CZ 4.33Å; W946-F984 AromaticContact CH2-CE1 3.82Å; W946-F984 HydrophobicContact CH2-CE1 3.82Å; W946-F984 HydrophobicContact CZ2-CE1 4.2Å; W946-F984 HydrophobicContact CZ3-CE1 4.08Å; W946-F984 HydrophobicContact CZ3-CZ 4.47Å; V964-F984 HydrophobicContact CG1-CE2 4.34Å; V964-F984 HydrophobicContact CG1-CZ 4.03Å; V964-F984 HydrophobicContact CG2-CE1 4.3Å; V964-F984 HydrophobicContact CG2-CZ 3.91Å; V980-F984 HydrophobicContact CG1-CD2 3.8Å; V980-F984 HydrophobicContact CG1-CE2 3.9Å; V980-F984 WeakPolarHBondContact O-CD2 3.43Å; V980-F984 PolarHBondContact O-N 2.88Å; V980-F984 VanDerWaalsContact O-N 3.1Å; F984-S986 VanDerWaalsContact C-N 3.26Å; F984-S986 PolarHBondContact O-N 3Å; F984-L987 HydrophobicContact CD1-CD1 3.74Å; F984-L987 HydrophobicContact CE1-CD1 4.19Å; F984-L987 PolarHBondContact O-N 3.2Å; F984-S992 WeakPolarHBondContact O-CA 3.24Å; F984-S992 WeakPolarHBondContact O-CB 3.24Å; F984-V997 HydrophobicContact CB-CG1 3.56Å; F984-V997 HydrophobicContact CB-CG2 4.26Å; F984-V997 HydrophobicContact CD1-CB 4.46Å; F984-V997 HydrophobicContact CD1-CG1 4.23Å; F984-V997 HydrophobicContact CD1-CG2 3.36Å; F984-V997 HydrophobicContact CD2-CB 4.45Å; F984-V997 HydrophobicContact CD2-CG1 3.73Å; F984-V997 HydrophobicContact CD2-CG2 3.97Å; F984-V997 HydrophobicContact CE1-CG2 3.61Å; F984-V997 HydrophobicContact CE2-CG2 4.16Å; F984-V997 HydrophobicContact CG-CB 4.25Å; F984-V997 HydrophobicContact CG-CG1 3.57Å; F984-V997 HydrophobicContact CG-CG2 3.59Å; F984-V997 HydrophobicContact CZ-CG2 4.01Å
985	S	93.9	Very high	92.2	Very high	74 Å²	74	58.8 Å²	58.8	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-34.1	173.4	-59.1	0	0	0	0	112.5	Q981 F983 L987	Q981-S985 WeakPolarHBondContact O-CB 3.49Å; Q981-S985 PolarHBondContact O-N 2.86Å; Q981-S985 PolarHBondContact O-OG 2.87Å; F983-S985 VanDerWaalsContact C-N 3.31Å; F983-S985 PolarHBondContact O-N 2.86Å; S985-L987 VanDerWaalsContact C-N 3.29Å; S985-L987 PolarHBondContact O-N 3.2Å
986	S	94.4	Very high	92.1	Very high	70 Å²	70	56.2 Å²	56.2	49%	0.49	29%	0.288	S	S	.	.	H	α-helix	trans	-69.7	-23.5	178.7	80.2	0	0	0	0	113.8	A982 F983 F984 K988	A982-S986 PolarHBondContact O-N 3.15Å; A982-S986 VanDerWaalsContact O-N 3.11Å; F983-S986 WeakPolarHBondContact O-CB 3.48Å; F983-S986 PolarHBondContact O-N 2.95Å; F983-S986 PolarHBondContact O-OG 2.91Å; F984-S986 VanDerWaalsContact C-N 3.26Å; F984-S986 PolarHBondContact O-N 3Å; S986-K988 VanDerWaalsContact C-N 3.34Å; S986-K988 PolarHBondContact O-N 3.44Å
987	L	91.9	Very high	92.1	Very high	7 Å²	7	55 Å²	55	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-74.4	-20.9	-176.2	-65.1	176.5	0	0	0	113.7	W946 F983 F984 S985 Q989 R990	W946-L987 HydrophobicContact CD2-CD1 4.05Å; W946-L987 HydrophobicContact CG-CD1 4.13Å; W946-L987 HydrophobicContact CG-CD2 4.22Å; W946-L987 HydrophobicContact CZ2-CD1 4.22Å; F983-L987 HydrophobicContact CD1-CD1 4.39Å; F983-L987 HydrophobicContact CE1-CD1 3.84Å; F983-L987 HydrophobicContact CE2-CD2 4.44Å; F983-L987 HydrophobicContact CZ-CD1 3.97Å; F983-L987 HydrophobicContact CZ-CD2 4.37Å; F983-L987 HydrophobicContact CZ-CG 4.48Å; F983-L987 PolarHBondContact O-N 2.82Å; F984-L987 HydrophobicContact CD1-CD1 3.74Å; F984-L987 HydrophobicContact CE1-CD1 4.19Å; F984-L987 PolarHBondContact O-N 3.2Å; S985-L987 VanDerWaalsContact C-N 3.29Å; S985-L987 PolarHBondContact O-N 3.2Å; L987-Q989 PolarHBondContact O-N 3.07Å; L987-R990 HydrophobicContact CB-CB 4.26Å; L987-R990 WeakPolarHBondContact O-CB 3.38Å; L987-R990 PolarHBondContact O-N 3.46Å
988	K	87.4	Confident	92	Very high	160 Å²	160	59.1 Å²	59.1	70%	0.696	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	52.3	-122.2	-177.2	-55.7	177.8	-175.9	176.4	0	111.2	S986 R990 S992	S986-K988 VanDerWaalsContact C-N 3.34Å; S986-K988 PolarHBondContact O-N 3.44Å; K988-R990 PolarHBondContact O-N 2.9Å; K988-S992 WeakPolarHBondContact O-CB 3.28Å; K988-S992 PolarHBondContact O-N 3.37Å; K988-S992 PolarHBondContact O-OG 3.42Å
989	Q	80.3	Confident	91.8	Very high	187 Å²	187	56 Å²	56	87%	0.874	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.4	179.6	-71.9	172.7	-23.5	0	0	113.4	L987 G991	L987-Q989 PolarHBondContact O-N 3.07Å; Q989-G991 PolarHBondContact O-N 2.91Å
990	R	80.6	Confident	91.8	Very high	105 Å²	105	52.8 Å²	52.8	40%	0.396	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-78	29.2	178.7	-53.8	-179.3	-66.9	163.4	-2.5	114.1	W946 D947 I950 L987 K988	W946-R990 PolarHBondContact NE1-O 3.13Å; D947-R990 IonicContact OD1-CZ 3.76Å; D947-R990 IonicContact OD1-NH1 2.76Å; D947-R990 PolarHBondContact OD1-NH1 3.33Å; D947-R990 IonicContact OD2-NH1 3.17Å; D947-R990 PolarHBondContact OD2-NH1 3.24Å; I950-R990 HydrophobicContact CD1-CB 4.13Å; L987-R990 HydrophobicContact CB-CB 4.26Å; L987-R990 WeakPolarHBondContact O-CB 3.38Å; L987-R990 PolarHBondContact O-N 3.46Å; K988-R990 PolarHBondContact O-N 2.9Å
991	G	82.6	Confident	91.8	Very high	4 Å²	4	53.8 Å²	53.8	4%	0.041	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	122.9	1.9	174.7	0	0	0	0	0	117.7	Q989 Q993 M994	Q989-G991 PolarHBondContact O-N 2.91Å; G991-Q993 PolarHBondContact O-N 2.7Å; G991-Q993 VanDerWaalsContact O-N 3.14Å; G991-M994 WeakPolarHBondContact O-CG 3.4Å; G991-M994 PolarHBondContact O-N 2.96Å
992	S	84.6	Confident	91.8	Very high	24 Å²	24	50.4 Å²	50.4	17%	0.168	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.6	-176.9	70.2	0	0	0	0	115	F984 K988	F984-S992 WeakPolarHBondContact O-CA 3.24Å; F984-S992 WeakPolarHBondContact O-CB 3.24Å; K988-S992 WeakPolarHBondContact O-CB 3.28Å; K988-S992 PolarHBondContact O-N 3.37Å; K988-S992 PolarHBondContact O-OG 3.42Å
993	Q	87.4	Confident	91.7	Very high	149 Å²	149	49 Å²	49	70%	0.696	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.6	-174.7	-58.3	-53.8	-65.8	0	0	113.7	G991	G991-Q993 PolarHBondContact O-N 2.7Å; G991-Q993 VanDerWaalsContact O-N 3.14Å
994	M	92.6	Very high	91.7	Very high	7 Å²	7	48 Å²	48	3%	0.034	24%	0.24	C	C	.	.			trans	-61.1	137.6	-175.8	-68.8	-174	-49.4	0	0	112	E540 W946 L955 I960 G991 S996 V997 Q998	E540-M994 VanDerWaalsContact OE1-C 3.27Å; E540-M994 WeakPolarHBondContact OE1-CA 3.38Å; E540-M994 WeakPolarHBondContact OE1-CB 3.48Å; W946-M994 HydrophobicContact CH2-CE 3.87Å; W946-M994 HydrophobicContact CZ2-CE 3.87Å; L955-M994 HydrophobicContact CD2-SD 3.85Å; I960-M994 HydrophobicContact CG2-CE 3.89Å; I960-M994 HydrophobicContact CG2-SD 3.96Å; G991-M994 WeakPolarHBondContact O-CG 3.4Å; G991-M994 PolarHBondContact O-N 2.96Å; M994-S996 PolarHBondContact O-N 3.33Å; M994-V997 HydrophobicContact CB-CG2 4.1Å; M994-V997 HydrophobicContact CE-CG2 3.85Å; M994-V997 WeakPolarHBondContact O-CB 3.48Å; M994-V997 PolarHBondContact O-N 3.25Å; M994-Q998 PolarHBondContact O-N 2.87Å
995	R	93.8	Very high	91.8	Very high	28 Å²	28	53.1 Å²	53.1	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-38.5	173.3	-167	-174.7	-55.1	135	13.6	111.7	S524 H526 E540 D543 V997 Q998 E999	S524-R995 WeakPolarHBondContact O-CG 3.43Å; H526-R995 PolarHBondContact CD2-NH1 2.79Å; H526-R995 PolarHBondContact NE2-NH1 2.72Å; E540-R995 VanDerWaalsContact CD-N 3.31Å; E540-R995 PolarHBondContact O-NH1 2.9Å; E540-R995 PolarHBondContact OE1-N 3.03Å; E540-R995 VanDerWaalsContact OE2-CB 3.31Å; E540-R995 WeakPolarHBondContact OE2-CB 3.48Å; E540-R995 PolarHBondContact OE2-N 3.39Å; D543-R995 IonicContact OD2-NH1 3.25Å; R995-V997 PolarHBondContact O-N 2.97Å; R995-Q998 CarbonylContact O-C 3.56Å; R995-Q998 WeakPolarHBondContact O-CA 3.32Å; R995-Q998 WeakPolarHBondContact O-CB 3.45Å; R995-Q998 PolarHBondContact O-N 3.05Å; R995-E999 WeakPolarHBondContact O-CG 3.43Å; R995-E999 PolarHBondContact O-N 2.99Å
996	S	94.4	Very high	91.8	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-30.1	175.5	57.8	0	0	0	0	113.8	M994 A1000	M994-S996 PolarHBondContact O-N 3.33Å; S996-A1000 WeakPolarHBondContact O-CB 3.45Å; S996-A1000 PolarHBondContact O-N 3.26Å
997	V	95.4	Very high	91.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-74.7	-38.4	173.2	174.4	0	0	0	0	110.9	F984 M994 R995 A1000 L1001	F984-V997 HydrophobicContact CB-CG1 3.56Å; F984-V997 HydrophobicContact CB-CG2 4.26Å; F984-V997 HydrophobicContact CD1-CB 4.46Å; F984-V997 HydrophobicContact CD1-CG1 4.23Å; F984-V997 HydrophobicContact CD1-CG2 3.36Å; F984-V997 HydrophobicContact CD2-CB 4.45Å; F984-V997 HydrophobicContact CD2-CG1 3.73Å; F984-V997 HydrophobicContact CD2-CG2 3.97Å; F984-V997 HydrophobicContact CE1-CG2 3.61Å; F984-V997 HydrophobicContact CE2-CG2 4.16Å; F984-V997 HydrophobicContact CG-CB 4.25Å; F984-V997 HydrophobicContact CG-CG1 3.57Å; F984-V997 HydrophobicContact CG-CG2 3.59Å; F984-V997 HydrophobicContact CZ-CG2 4.01Å; M994-V997 HydrophobicContact CB-CG2 4.1Å; M994-V997 HydrophobicContact CE-CG2 3.85Å; M994-V997 WeakPolarHBondContact O-CB 3.48Å; M994-V997 PolarHBondContact O-N 3.25Å; R995-V997 PolarHBondContact O-N 2.97Å; V997-A1000 PolarHBondContact O-N 2.89Å; V997-L1001 HydrophobicContact CG1-CD1 4.21Å; V997-L1001 VanDerWaalsContact O-CG 3.29Å; V997-L1001 WeakPolarHBondContact O-CG 3.28Å; V997-L1001 PolarHBondContact O-N 3.06Å
998	Q	94.9	Very high	92	Very high	95 Å²	95	50.4 Å²	50.4	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-44.6	175.3	-56.6	-178.8	23.1	0	0	110.7	M994 R995 L1001 E1002	M994-Q998 PolarHBondContact O-N 2.87Å; R995-Q998 CarbonylContact O-C 3.56Å; R995-Q998 WeakPolarHBondContact O-CA 3.32Å; R995-Q998 WeakPolarHBondContact O-CB 3.45Å; R995-Q998 PolarHBondContact O-N 3.05Å; Q998-L1001 PolarHBondContact O-N 3.37Å; Q998-E1002 WeakPolarHBondContact O-CB 3.3Å; Q998-E1002 PolarHBondContact O-N 3.17Å
999	E	95.1	Very high	92.2	Very high	17 Å²	17	48.6 Å²	48.6	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-44.6	172.7	-74	172.7	-155.5	0	0	112.1	K519 L522 S524 R995 E1002 T1003	K519-E999 WeakPolarHBondContact CE-OE1 3.18Å; K519-E999 IonicContact NZ-OE1 3.17Å; K519-E999 PolarHBondContact NZ-OE1 3.46Å; K519-E999 IonicContact NZ-OE2 3.35Å; K519-E999 PolarHBondContact NZ-OE2 2.85Å; L522-E999 HydrophobicContact CD1-CB 4.23Å; L522-E999 HydrophobicContact CD1-CG 4.01Å; S524-E999 WeakPolarHBondContact OG-CA 3.39Å; S524-E999 WeakPolarHBondContact OG-CG 3.27Å; R995-E999 WeakPolarHBondContact O-CG 3.43Å; R995-E999 PolarHBondContact O-N 2.99Å; E999-E1002 PolarHBondContact O-N 3.43Å; E999-T1003 VanDerWaalsContact O-CB 3.25Å; E999-T1003 WeakPolarHBondContact O-CB 3.26Å; E999-T1003 PolarHBondContact O-N 2.7Å; E999-T1003 PolarHBondContact O-OG1 3.06Å
1000	A	96.4	Very high	92.8	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-53.5	174.7	0	0	0	0	0	111.3	V964 T968 S996 V997 E1002 T1003 I1004	V964-A1000 HydrophobicContact CG1-CB 4.07Å; T968-A1000 HydrophobicContact CG2-CB 4.25Å; T968-A1000 VanDerWaalsContact OG1-CB 3.23Å; T968-A1000 WeakPolarHBondContact OG1-CB 3.46Å; S996-A1000 WeakPolarHBondContact O-CB 3.45Å; S996-A1000 PolarHBondContact O-N 3.26Å; V997-A1000 PolarHBondContact O-N 2.89Å; A1000-E1002 VanDerWaalsContact C-N 3.31Å; A1000-E1002 PolarHBondContact O-N 3.16Å; A1000-T1003 PolarHBondContact O-N 3.42Å; A1000-I1004 VanDerWaalsContact O-CG1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.36Å; A1000-I1004 PolarHBondContact O-N 2.82Å
1001	L	96.8	Very high	93.4	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-35.8	-179.4	-67.7	174.8	0	0	0	112.9	L977 V980 Q981 V997 Q998 R1005	L977-L1001 HydrophobicContact CD1-CB 4.33Å; L977-L1001 HydrophobicContact CD1-CD2 3.72Å; V980-L1001 HydrophobicContact CB-CD2 4.19Å; V980-L1001 HydrophobicContact CG1-CD2 3.75Å; V980-L1001 HydrophobicContact CG1-CG 4.44Å; Q981-L1001 HydrophobicContact CB-CD1 4.5Å; Q981-L1001 HydrophobicContact CB-CD2 3.76Å; Q981-L1001 HydrophobicContact CG-CD1 4.42Å; V997-L1001 HydrophobicContact CG1-CD1 4.21Å; V997-L1001 VanDerWaalsContact O-CG 3.29Å; V997-L1001 WeakPolarHBondContact O-CG 3.28Å; V997-L1001 PolarHBondContact O-N 3.06Å; Q998-L1001 PolarHBondContact O-N 3.37Å; L1001-R1005 VanDerWaalsContact O-CG 3.29Å; L1001-R1005 WeakPolarHBondContact O-CG 3.46Å; L1001-R1005 PolarHBondContact O-N 3.36Å; L1001-R1005 PolarHBondContact O-NH1 2.83Å
1002	E	95.7	Very high	93.8	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-48.2	173.4	-169.5	175.9	152.3	0	0	111.5	L522 N523 S524 T637 Q998 E999 A1000 I1004 R1005 L1006	L522-E1002 WeakPolarHBondContact CA-OE1 3.16Å; L522-E1002 HydrophobicContact CD2-CG 4.33Å; N523-E1002 WeakPolarHBondContact CA-OE2 3.01Å; N523-E1002 WeakPolarHBondContact CB-OE2 3.46Å; N523-E1002 VanDerWaalsContact N-CD 3.32Å; N523-E1002 PolarHBondContact N-OE1 2.82Å; N523-E1002 PolarHBondContact N-OE2 2.71Å; N523-E1002 VanDerWaalsContact N-OE2 3.09Å; S524-E1002 PolarHBondContact N-OE2 2.73Å; S524-E1002 PolarHBondContact OG-OE2 2.82Å; T637-E1002 HydrophobicContact CG2-CG 3.85Å; T637-E1002 WeakPolarHBondContact CG2-OE1 3.41Å; Q998-E1002 WeakPolarHBondContact O-CB 3.3Å; Q998-E1002 PolarHBondContact O-N 3.17Å; E999-E1002 PolarHBondContact O-N 3.43Å; A1000-E1002 VanDerWaalsContact C-N 3.31Å; A1000-E1002 PolarHBondContact O-N 3.16Å; E1002-I1004 VanDerWaalsContact C-N 3.31Å; E1002-I1004 PolarHBondContact O-N 3.17Å; E1002-R1005 WeakPolarHBondContact O-CB 3.24Å; E1002-R1005 PolarHBondContact O-N 3.28Å; E1002-R1005 VanDerWaalsContact O-N 3.07Å; E1002-L1006 HydrophobicContact CG-CD1 4.04Å; E1002-L1006 HydrophobicContact CG-CG 4.33Å; E1002-L1006 WeakPolarHBondContact O-CG 3.46Å; E1002-L1006 PolarHBondContact O-N 2.83Å
1003	T	95.8	Very high	94.1	Very high	31 Å²	31	44.8 Å²	44.8	19%	0.19	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-43.2	178.9	-59.8	0	0	0	0	111.6	E999 A1000 R1005 L1006 N1007	E999-T1003 VanDerWaalsContact O-CB 3.25Å; E999-T1003 WeakPolarHBondContact O-CB 3.26Å; E999-T1003 PolarHBondContact O-N 2.7Å; E999-T1003 PolarHBondContact O-OG1 3.06Å; A1000-T1003 PolarHBondContact O-N 3.42Å; T1003-R1005 PolarHBondContact O-N 2.82Å; T1003-L1006 PolarHBondContact O-N 3.04Å; T1003-N1007 WeakPolarHBondContact O-CB 3.32Å; T1003-N1007 PolarHBondContact O-N 2.87Å; T1003-N1007 PolarHBondContact O-ND2 3.26Å
1004	I	97	Very high	94.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-41.5	177.8	-60.6	170.1	0	0	0	111.5	F971 L977 V980 A1000 E1002 K1008	F971-I1004 HydrophobicContact CB-CD1 4.14Å; F971-I1004 HydrophobicContact CB-CG1 3.9Å; F971-I1004 HydrophobicContact CB-CG2 4.23Å; F971-I1004 HydrophobicContact CD2-CD1 4.07Å; L977-I1004 HydrophobicContact CB-CG2 3.77Å; L977-I1004 HydrophobicContact CD1-CB 4.14Å; L977-I1004 HydrophobicContact CD1-CG2 4.18Å; V980-I1004 HydrophobicContact CB-CD1 4.08Å; V980-I1004 HydrophobicContact CG1-CD1 4.19Å; V980-I1004 HydrophobicContact CG2-CD1 3.86Å; A1000-I1004 VanDerWaalsContact O-CG1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.36Å; A1000-I1004 PolarHBondContact O-N 2.82Å; E1002-I1004 VanDerWaalsContact C-N 3.31Å; E1002-I1004 PolarHBondContact O-N 3.17Å; I1004-K1008 VanDerWaalsContact O-CB 3.25Å; I1004-K1008 WeakPolarHBondContact O-CB 3.41Å; I1004-K1008 PolarHBondContact O-N 2.96Å
1005	R	95.6	Very high	94.2	Very high	111 Å²	111	39.1 Å²	39.1	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-41.7	176.4	-68.4	170	-164.8	125	2	111.3	L977 L1001 E1002 T1003 R1009	L977-R1005 HydrophobicContact CD1-CG 4Å; L977-R1005 HydrophobicContact CD2-CG 3.57Å; L977-R1005 HydrophobicContact CG-CG 4.47Å; L1001-R1005 VanDerWaalsContact O-CG 3.29Å; L1001-R1005 WeakPolarHBondContact O-CG 3.46Å; L1001-R1005 PolarHBondContact O-N 3.36Å; L1001-R1005 PolarHBondContact O-NH1 2.83Å; E1002-R1005 WeakPolarHBondContact O-CB 3.24Å; E1002-R1005 PolarHBondContact O-N 3.28Å; E1002-R1005 VanDerWaalsContact O-N 3.07Å; T1003-R1005 PolarHBondContact O-N 2.82Å; R1005-R1009 WeakPolarHBondContact O-CB 3.35Å; R1005-R1009 PolarHBondContact O-N 3.3Å
1006	L	94.1	Very high	93.9	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.12	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-50	177.2	-70.6	174.6	0	0	0	111.4	L522 L636 T637 E1002 T1003 K1008 R1009 W1010	L522-L1006 HydrophobicContact CD2-CD1 3.51Å; L636-L1006 HydrophobicContact CB-CD1 3.65Å; L636-L1006 HydrophobicContact CB-CD2 3.69Å; L636-L1006 HydrophobicContact CB-CG 4.33Å; L636-L1006 HydrophobicContact CD1-CD1 3.93Å; L636-L1006 HydrophobicContact CG-CD1 4.45Å; L636-L1006 WeakPolarHBondContact O-CD2 3.39Å; T637-L1006 HydrophobicContact CG2-CD2 3.75Å; T637-L1006 HydrophobicContact CG2-CG 4.26Å; E1002-L1006 HydrophobicContact CG-CD1 4.04Å; E1002-L1006 HydrophobicContact CG-CG 4.33Å; E1002-L1006 WeakPolarHBondContact O-CG 3.46Å; E1002-L1006 PolarHBondContact O-N 2.83Å; T1003-L1006 PolarHBondContact O-N 3.04Å; L1006-K1008 PolarHBondContact O-N 2.79Å; L1006-R1009 PolarHBondContact O-N 3.1Å; L1006-W1010 VanDerWaalsContact O-CB 3.3Å; L1006-W1010 WeakPolarHBondContact O-CB 3.42Å; L1006-W1010 PolarHBondContact O-N 3.31Å
1007	N	95.6	Very high	93.6	Very high	23 Å²	23	46 Å²	46	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-46.5	176.5	-69.1	-15.2	0	0	0	111.8	L775 S969 F971 T1003 W1010 M1011	L775-N1007 HydrophobicContact CD2-CB 4.15Å; S969-N1007 PolarHBondContact O-ND2 2.85Å; F971-N1007 WeakPolarHBondContact O-CB 3.47Å; F971-N1007 PolarHBondContact O-ND2 3.49Å; T1003-N1007 WeakPolarHBondContact O-CB 3.32Å; T1003-N1007 PolarHBondContact O-N 2.87Å; T1003-N1007 PolarHBondContact O-ND2 3.26Å; N1007-W1010 PolarHBondContact O-N 2.84Å; N1007-M1011 WeakPolarHBondContact O-CB 3.22Å; N1007-M1011 VanDerWaalsContact O-CG 3.24Å; N1007-M1011 WeakPolarHBondContact O-CG 3.46Å; N1007-M1011 PolarHBondContact O-N 2.91Å
1008	K	95.2	Very high	93.4	Very high	48 Å²	48	45.9 Å²	45.9	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-53.4	176.4	176.1	-167.1	155.5	-168.6	0	110.9	I1004 L1006 W1010 M1011 E1012	I1004-K1008 VanDerWaalsContact O-CB 3.25Å; I1004-K1008 WeakPolarHBondContact O-CB 3.41Å; I1004-K1008 PolarHBondContact O-N 2.96Å; L1006-K1008 PolarHBondContact O-N 2.79Å; K1008-W1010 VanDerWaalsContact C-N 3.34Å; K1008-W1010 PolarHBondContact O-N 2.83Å; K1008-M1011 PolarHBondContact O-N 3.42Å; K1008-E1012 WeakPolarHBondContact CE-OE1 3.29Å; K1008-E1012 WeakPolarHBondContact CG-OE1 3.02Å; K1008-E1012 WeakPolarHBondContact O-CB 3.36Å; K1008-E1012 VanDerWaalsContact O-CG 3.3Å; K1008-E1012 WeakPolarHBondContact O-CG 3.02Å; K1008-E1012 PolarHBondContact O-N 2.82Å
1009	R	93.1	Very high	93.2	Very high	121 Å²	121	47 Å²	47	46%	0.457	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-40.8	179.4	179.9	-179.8	177.9	176.6	-0.5	112.1	R1005 L1006 E1012 N1013	R1005-R1009 WeakPolarHBondContact O-CB 3.35Å; R1005-R1009 PolarHBondContact O-N 3.3Å; L1006-R1009 PolarHBondContact O-N 3.1Å; R1009-E1012 PolarHBondContact O-N 2.99Å; R1009-N1013 WeakPolarHBondContact O-CB 3.32Å; R1009-N1013 VanDerWaalsContact O-CG 3.3Å; R1009-N1013 PolarHBondContact O-N 3.19Å
1010	W	91.9	Very high	92.9	Very high	21 Å²	21	54.8 Å²	54.8	8%	0.08	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-44.4	178.9	-173.7	85.7	0	0	0	111.4	F743 I772 L775 L1006 N1007 K1008 N1013 N1014 M1018	F743-W1010 HydrophobicContact CD2-CZ2 4.07Å; F743-W1010 HydrophobicContact CE2-CZ2 4.27Å; I772-W1010 HydrophobicContact CB-CH2 4.27Å; I772-W1010 HydrophobicContact CD1-CH2 3.75Å; I772-W1010 HydrophobicContact CD1-CZ2 3.86Å; I772-W1010 HydrophobicContact CG1-CH2 3.72Å; I772-W1010 HydrophobicContact CG1-CZ2 4.15Å; I772-W1010 HydrophobicContact CG1-CZ3 4.29Å; I772-W1010 HydrophobicContact CG2-CH2 3.6Å; I772-W1010 HydrophobicContact CG2-CZ3 3.96Å; L775-W1010 HydrophobicContact CD1-CE3 4.4Å; L1006-W1010 VanDerWaalsContact O-CB 3.3Å; L1006-W1010 WeakPolarHBondContact O-CB 3.42Å; L1006-W1010 PolarHBondContact O-N 3.31Å; N1007-W1010 PolarHBondContact O-N 2.84Å; K1008-W1010 VanDerWaalsContact C-N 3.34Å; K1008-W1010 PolarHBondContact O-N 2.83Å; W1010-N1013 PolarHBondContact O-N 3.29Å; W1010-N1014 HydrophobicContact CD2-CB 4.43Å; W1010-N1014 HydrophobicContact CH2-CB 4.24Å; W1010-N1014 HydrophobicContact CZ2-CB 3.99Å; W1010-N1014 PolarHBondContact NE1-ND2 2.92Å; W1010-N1014 VanDerWaalsContact NE1-ND2 3.18Å; W1010-N1014 WeakPolarHBondContact O-CB 3.23Å; W1010-N1014 PolarHBondContact O-N 3.36Å; W1010-N1014 PolarHBondContact O-ND2 2.7Å; W1010-M1018 HydrophobicContact CH2-CE 3.72Å; W1010-M1018 HydrophobicContact CH2-SD 3.8Å; W1010-M1018 HydrophobicContact CZ3-CE 3.74Å; W1010-M1018 HydrophobicContact CZ3-SD 4.35Å
1011	M	93.3	Very high	92.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-46.5	173.6	-70.9	-64.6	-73.6	0	0	111.5	L775 L776 R779 N1007 K1008 N1013 L1015	L775-M1011 HydrophobicContact CB-SD 3.94Å; L776-M1011 HydrophobicContact CD2-CE 3.85Å; R779-M1011 HydrophobicContact CB-CE 4.07Å; R779-M1011 HydrophobicContact CG-CE 3.78Å; N1007-M1011 WeakPolarHBondContact O-CB 3.22Å; N1007-M1011 VanDerWaalsContact O-CG 3.24Å; N1007-M1011 WeakPolarHBondContact O-CG 3.46Å; N1007-M1011 PolarHBondContact O-N 2.91Å; K1008-M1011 PolarHBondContact O-N 3.42Å; M1011-N1013 VanDerWaalsContact C-N 3.28Å; M1011-N1013 PolarHBondContact O-N 2.82Å; M1011-L1015 HydrophobicContact CE-CD1 4.05Å; M1011-L1015 WeakPolarHBondContact O-CB 3.37Å; M1011-L1015 PolarHBondContact O-N 3.47Å; M1011-L1015 VanDerWaalsContact O-N 3.16Å
1012	E	91.2	Very high	92.2	Very high	119 Å²	119	60.1 Å²	60.1	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-58.3	-38	177.9	-74.4	165.8	173	0	0	112.5	K1008 R1009	K1008-E1012 WeakPolarHBondContact CE-OE1 3.29Å; K1008-E1012 WeakPolarHBondContact CG-OE1 3.02Å; K1008-E1012 WeakPolarHBondContact O-CB 3.36Å; K1008-E1012 VanDerWaalsContact O-CG 3.3Å; K1008-E1012 WeakPolarHBondContact O-CG 3.02Å; K1008-E1012 PolarHBondContact O-N 2.82Å; R1009-E1012 PolarHBondContact O-N 2.99Å
1013	N	90.1	Very high	92	Very high	100 Å²	100	62.5 Å²	62.5	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-82.5	-39.9	-177.9	-72.4	-10.6	0	0	0	114.3	R1009 W1010 M1011	R1009-N1013 WeakPolarHBondContact O-CB 3.32Å; R1009-N1013 VanDerWaalsContact O-CG 3.3Å; R1009-N1013 PolarHBondContact O-N 3.19Å; W1010-N1013 PolarHBondContact O-N 3.29Å; M1011-N1013 VanDerWaalsContact C-N 3.28Å; M1011-N1013 PolarHBondContact O-N 2.82Å
1014	N	90.4	Very high	91.8	Very high	16 Å²	16	64.2 Å²	64.2	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-99.9	-14.8	-167.9	-64.8	-79.7	0	0	0	114	W1010 Q1016 A1017 M1018	W1010-N1014 HydrophobicContact CD2-CB 4.43Å; W1010-N1014 HydrophobicContact CH2-CB 4.24Å; W1010-N1014 HydrophobicContact CZ2-CB 3.99Å; W1010-N1014 PolarHBondContact NE1-ND2 2.92Å; W1010-N1014 VanDerWaalsContact NE1-ND2 3.18Å; W1010-N1014 WeakPolarHBondContact O-CB 3.23Å; W1010-N1014 PolarHBondContact O-N 3.36Å; W1010-N1014 PolarHBondContact O-ND2 2.7Å; N1014-Q1016 VanDerWaalsContact C-N 3.35Å; N1014-Q1016 PolarHBondContact O-N 2.79Å; N1014-A1017 WeakPolarHBondContact O-CB 3.48Å; N1014-A1017 PolarHBondContact O-N 2.65Å; N1014-A1017 VanDerWaalsContact O-N 3.14Å; N1014-M1018 HydrophobicContact CB-CE 4.35Å; N1014-M1018 WeakPolarHBondContact O-CG 3.38Å; N1014-M1018 PolarHBondContact O-N 2.84Å
1015	L	91.5	Very high	91.5	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-34.3	-173.5	-179.8	153.7	0	0	0	113.5	E781 L784 M1011 M1018 R1019	E781-L1015 HydrophobicContact CG-CD1 4.07Å; L784-L1015 HydrophobicContact CD1-CD1 4.4Å; L784-L1015 HydrophobicContact CD1-CD2 4.45Å; L784-L1015 HydrophobicContact CD1-CG 3.87Å; M1011-L1015 HydrophobicContact CE-CD1 4.05Å; M1011-L1015 WeakPolarHBondContact O-CB 3.37Å; M1011-L1015 PolarHBondContact O-N 3.47Å; M1011-L1015 VanDerWaalsContact O-N 3.16Å; L1015-M1018 HydrophobicContact CB-CE 4.37Å; L1015-R1019 VanDerWaalsContact CD2-CZ 3.46Å; L1015-R1019 VanDerWaalsContact O-CG 3.32Å; L1015-R1019 WeakPolarHBondContact O-CG 3.48Å; L1015-R1019 PolarHBondContact O-N 2.85Å
1016	Q	89.1	Confident	91.3	Very high	161 Å²	161	65.1 Å²	65.1	75%	0.752	30%	0.297	S	S	*	.	H	α-helix	trans	-71.4	-37.4	173.3	-172.1	175.6	6.5	0	0	112.5	N1014 R1019 K1020	N1014-Q1016 VanDerWaalsContact C-N 3.35Å; N1014-Q1016 PolarHBondContact O-N 2.79Å; Q1016-R1019 PolarHBondContact O-N 3.02Å; Q1016-K1020 PolarHBondContact O-N 2.99Å
1017	A	87.4	Confident	91.1	Very high	18 Å²	18	67.8 Å²	67.8	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-48.3	175	0	0	0	0	0	110.7	N1014 R1019 K1020 F1021	N1014-A1017 WeakPolarHBondContact O-CB 3.48Å; N1014-A1017 PolarHBondContact O-N 2.65Å; N1014-A1017 VanDerWaalsContact O-N 3.14Å; A1017-R1019 VanDerWaalsContact C-N 3.35Å; A1017-R1019 PolarHBondContact O-N 3.5Å; A1017-K1020 PolarHBondContact O-N 3.25Å; A1017-F1021 PolarHBondContact O-N 2.89Å
1018	M	90.8	Very high	90.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56	-44.5	173.6	-73.4	-170.7	-70	0	0	112.3	F743 I772 L776 L784 M788 W1010 N1014 L1015 K1020 F1021 L1022	F743-M1018 HydrophobicContact CD1-CG 3.57Å; F743-M1018 HydrophobicContact CD1-SD 4.48Å; F743-M1018 HydrophobicContact CE1-CG 3.61Å; F743-M1018 HydrophobicContact CE1-SD 4.15Å; F743-M1018 HydrophobicContact CG-CG 4.35Å; F743-M1018 HydrophobicContact CZ-CG 4.44Å; F743-M1018 HydrophobicContact CZ-SD 4.43Å; I772-M1018 HydrophobicContact CG2-SD 3.9Å; L776-M1018 HydrophobicContact CD2-CE 4.04Å; L784-M1018 HydrophobicContact CD2-CB 4.28Å; M788-M1018 HydrophobicContact CE-SD 4.37Å; W1010-M1018 HydrophobicContact CH2-CE 3.72Å; W1010-M1018 HydrophobicContact CH2-SD 3.8Å; W1010-M1018 HydrophobicContact CZ3-CE 3.74Å; W1010-M1018 HydrophobicContact CZ3-SD 4.35Å; N1014-M1018 HydrophobicContact CB-CE 4.35Å; N1014-M1018 WeakPolarHBondContact O-CG 3.38Å; N1014-M1018 PolarHBondContact O-N 2.84Å; L1015-M1018 HydrophobicContact CB-CE 4.37Å; M1018-K1020 PolarHBondContact O-N 3Å; M1018-F1021 PolarHBondContact O-N 3.16Å; M1018-L1022 HydrophobicContact CB-CD1 4.22Å; M1018-L1022 WeakPolarHBondContact O-CB 3.36Å; M1018-L1022 PolarHBondContact O-N 3.14Å
1019	R	91.4	Very high	90.5	Very high	120 Å²	120	72.4 Å²	72.4	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-22.5	177.4	-78	179.5	-179.7	174.2	1.6	114.6	E781 L784 R787 L1015 Q1016 A1017	E781-R1019 IonicContact OE1-NH2 2.73Å; E781-R1019 PolarHBondContact OE1-NH2 2.89Å; E781-R1019 IonicContact OE2-CZ 3.24Å; E781-R1019 IonicContact OE2-NE 3.02Å; E781-R1019 IonicContact OE2-NH2 2.66Å; E781-R1019 PolarHBondContact OE2-NH2 2.87Å; L784-R1019 HydrophobicContact CD1-CG 3.76Å; L784-R1019 HydrophobicContact CD2-CB 4.26Å; L784-R1019 HydrophobicContact CD2-CG 3.52Å; L784-R1019 HydrophobicContact CG-CG 3.85Å; R787-R1019 PolarHBondContact NH1-O 3.4Å; L1015-R1019 VanDerWaalsContact CD2-CZ 3.46Å; L1015-R1019 VanDerWaalsContact O-CG 3.32Å; L1015-R1019 WeakPolarHBondContact O-CG 3.48Å; L1015-R1019 PolarHBondContact O-N 2.85Å; Q1016-R1019 PolarHBondContact O-N 3.02Å; A1017-R1019 VanDerWaalsContact C-N 3.35Å; A1017-R1019 PolarHBondContact O-N 3.5Å
1020	K	89.4	Confident	90.3	Very high	179 Å²	179	68.6 Å²	68.6	78%	0.778	32%	0.319	S	S	*	.	H	α-helix	trans	-93.9	-30.8	179.9	-174.8	-171.4	172.1	-162.8	0	112.3	Q1016 A1017 M1018	Q1016-K1020 PolarHBondContact O-N 2.99Å; A1017-K1020 PolarHBondContact O-N 3.25Å; M1018-K1020 PolarHBondContact O-N 3Å
1021	F	88.5	Confident	90.2	Very high	88 Å²	88	72.6 Å²	72.6	39%	0.386	34%	0.338	S	S	.	.	H	α-helix	trans	-85.2	-45.8	-178.6	-179.5	-88.2	0	0	0	113	E744 C747 Y791 A1017 M1018	E744-F1021 HydrophobicContact CG-CD2 4.4Å; C747-F1021 HydrophobicContact CB-CD1 4.04Å; C747-F1021 HydrophobicContact CB-CD2 4.44Å; C747-F1021 HydrophobicContact CB-CE1 3.37Å; C747-F1021 HydrophobicContact CB-CE2 3.82Å; C747-F1021 HydrophobicContact CB-CZ 3.25Å; Y791-F1021 HydrophobicContact CD2-CE1 4.46Å; Y791-F1021 HydrophobicContact CE2-CE1 4.11Å; A1017-F1021 PolarHBondContact O-N 2.89Å; M1018-F1021 PolarHBondContact O-N 3.16Å
1022	L	89.4	Confident	89.9	Confident	49 Å²	49	79.2 Å²	79.2	26%	0.257	37%	0.369	S	S	.	.			trans	-80.8	0	179.9	-60.4	172.7	0	0	0	112	L784 R787 M788 Y791 M1018	L784-L1022 HydrophobicContact CD2-CD1 4.43Å; R787-L1022 HydrophobicContact CB-CB 3.92Å; R787-L1022 WeakPolarHBondContact CD-O 3.41Å; R787-L1022 PolarHBondContact NH1-OXT 2.97Å; M788-L1022 HydrophobicContact CB-CD1 4.32Å; M788-L1022 HydrophobicContact CE-CD1 3.96Å; Y791-L1022 HydrophobicContact CD1-CD2 4.35Å; Y791-L1022 HydrophobicContact CD2-CD2 4.35Å; Y791-L1022 HydrophobicContact CG-CD2 3.88Å; M1018-L1022 HydrophobicContact CB-CD1 4.22Å; M1018-L1022 WeakPolarHBondContact O-CB 3.36Å; M1018-L1022 PolarHBondContact O-N 3.14Å

Retrieved 1,022 of 1,022 residues in 290.2 ms (Link to these results)

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