A0A096MX08_PAPAN Loading...

Hephaestin

Plasma membrane ferroxidase that mediates the extracellular conversion of ferrous/Fe(2+) iron into its ferric/Fe(3+) form. Couples ferroportin which specifically exports ferrous/Fe(2+) iron from cells to transferrin that only binds and shuttles extracellular ferric/Fe(3+) iron throughout the body. By helping iron transfer from cells to blood mainly contributes to dietary iron absorption by the intestinal epithelium and more generally regulates iron levels in the body.

AlphaFold DB , UniProt , Accession A0A096MX08, Species PAPAN (Papio anubis, Olive baboon), Gene HEPH, Length 1,212 aa.

						>A0A096MX08_PAPAN|A0A096MX08|HEPH
MTQTLPYQLRLLNVLFPGPCSRHFKFTRGKCAQPAWRKASAPSQDLLITKVMWAMESGHLLWALLFMQSLWPQLTDGATRVYYLGIQDVQWNYAPKGRNVITNQPLDSDIVASSFLKSDKNRIGGIYKKTIYKEYKDDSYTDEVAQPAWLGFLGPVLQAEVGDVILIHLKNFATRPYTIHPHGVFYEKDSEGSLYPDGSSGPLKADDSVPPGGSHIYNWTIPESHAPTDADPACLTWIYHSHVDAPRDIATGLIGPLITCKRGALDGNSPPQRRDVDHDFFLLFSVVDENLSWHLDENIATYCSDPASVDKEDETFQESNKMHAINGFVFGNLPELNMCAQRRVAWHLFGMGNEVDVHTAFFHGQMLTTRGHHTDVAQIFPATFVTAEMVPWEPGTWLVSCQVNSHFRDGMQALYKVKSCSMAHPVDLLTGKVRQYFIEAHEIQWNYGPMGHDGSTGKNLREPGSISDKFFQKSSSRIGGTYWKVRYEAFQDETFQEKMQLEEDRHLGILGPVIRAEVGDTIQVVFYNRASQPFSMQPHGVFYEKDYEGTVYNDGSSHPGLVAKPFEKVTYRWTVPPHAGPTAQDPACLTWMYFSAADPIKDTNSGLVGPLLVCRAGALGADGKQKGVDKEFFLLFTVLDENKSWYSNANQAAAMLDFRLLSEDIEGFQDSNRMHAINGFLFSNLPRLDMCKGDTVAWHLLGLGTETDVHGVMFQGNTVQLQGMRKGAAMLFPHTFVMAIMQPDNLGTFEIYCQAGSHREAGMRAIYNVSQCPGHQATPRQHYQAARIYYIMAEEVEWDYCPDRSWELEWHNQSEKDSYGYIFLNNKDGLLGSRYKKAVFREYTDGTFRIPRPRTGPEEHLGILGPLIKGEVGDILTVVFKNNASRPYSVHAHGVLESTTGWPLAAEPGEVLTYQWNIPERSGPGPNDSACVSWIYYSAVDPIKDMYSGLVGPLTICRKGILEPHGGRSDMDREFALLFLIFDENQSWYLEENVATHGSQDPGSINLQDETFLESNKMHAINGKLYANLRGLTMYQGERVAWYMLGMGQDVDLHTIHFHAESFLYRNGENYRADVVDLFPGTFEVVEMVASNPGTWLLHCHVTDHVHAGMETLFTVFSRTEHLSTITTITKEAEKAVTPRDIEEGNVKMLGMQIPIKNVEILASVLVAIGVTLLLVALALGGMVWYQHRQRKLRRNRRSILDDSFKLLSFKQ
					

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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	31.2	Very low	35.3	Very low	231 Å²	231	152.6 Å²	152.6	100%	1.138	75%	0.752	S	S	*	*				0	103.6	0	-65.5	166.4	-170.5	0	0	106
2	T	25.8	Very low	34.9	Very low	111 Å²	111	151.5 Å²	151.5	68%	0.681	75%	0.75	S	S	*	*				63.2	98.7	81.5	58.1	0	0	0	0	111.3
3	Q	35.2	Very low	34.3	Very low	170 Å²	170	149.9 Å²	149.9	79%	0.794	75%	0.747	S	S	*	*				88.7	143.7	80.6	-87.4	-177.7	-29.4	0	0	111.5
4	T	37.6	Very low	34	Very low	105 Å²	105	147.5 Å²	147.5	64%	0.644	74%	0.743	S	S	*	*			cis	-170.3	168.8	-10	17.3	0	0	0	0	109.1
5	L	36.6	Very low	33.5	Very low	142 Å²	142	147.7 Å²	147.7	74%	0.743	75%	0.747	S	S	*	*				136.7	166.2	98.8	-136.5	73.6	0	0	0	106.3
6	P	64	Low	33	Very low	95 Å²	95	150.3 Å²	150.3	62%	0.617	75%	0.752	S	S	*	*			cis	-144.9	171.2	-2.9	46.8	-29.5	0	0	0	119.5
7	Y	32.1	Very low	33.9	Very low	202 Å²	202	148.3 Å²	148.3	79%	0.792	75%	0.752	S	S	*	*			trans	61.9	153.1	151.7	-66.7	-60.7	0	0	0	124.2
8	Q	36.2	Very low	33.4	Very low	148 Å²	148	144.3 Å²	144.3	69%	0.692	75%	0.754	S	S	*	*				-175.6	167.2	-55.4	-178.4	179.7	53.8	0	0	112
9	L	31.5	Very low	34	Very low	120 Å²	120	143 Å²	143	63%	0.628	76%	0.755	S	S	*	*			trans	81.8	137.7	168.7	-63.1	99.2	0	0	0	115.8
10	R	31.4	Very low	33.4	Very low	213 Å²	213	141.9 Å²	141.9	80%	0.804	76%	0.758	S	S	*	*			cis	-160.5	-177.3	-10.2	-109.8	-177.7	-168.7	161.8	4.2	107
11	L	26.7	Very low	33	Very low	142 Å²	142	140.5 Å²	140.5	74%	0.743	76%	0.76	S	S	*	*			cis	-146	-127.7	13.6	-142.6	150.1	0	0	0	111.5
12	L	30	Very low	32.8	Very low	139 Å²	139	140.6 Å²	140.6	73%	0.728	75%	0.747	S	S	*	*			trans	-141.1	174	-174.9	-71.4	78.2	0	0	0	109.2
13	N	28	Very low	32.9	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	75%	0.753	S	S	*	*			cis	-165.8	171	10.4	-145.4	-5.8	0	0	0	112.9
14	V	29.6	Very low	32.4	Very low	116 Å²	116	144.9 Å²	144.9	70%	0.703	76%	0.756	S	S	*	*			trans	67.2	140.9	146.2	155.1	0	0	0	0	119.1
15	L	26.2	Very low	31.7	Very low	151 Å²	151	147.8 Å²	147.8	79%	0.791	76%	0.76	S	S	*	*			cis	-160.4	-154	-9.3	-124.5	176.9	0	0	0	113.2
16	F	25.3	Very low	31.2	Very low	189 Å²	189	149.3 Å²	149.3	83%	0.829	76%	0.761	S	S	*	*			trans	-129.9	-170.5	-174.3	-84.4	-78.5	0	0	0	111.3
17	P	48.8	Very low	29.4	Very low	116 Å²	116	151 Å²	151	75%	0.753	77%	0.769	S	S	*	*			cis	-140.3	162.4	-43.2	36.7	-19.1	0	0	0	117.1
18	G	24.7	Very low	29.1	Very low	76 Å²	76	153 Å²	153	78%	0.784	78%	0.776	S	S	*	*			trans	61.2	-168.5	151.4	0	0	0	0	0	120.4
19	P	44.6	Very low	28.6	Very low	120 Å²	120	149.9 Å²	149.9	78%	0.779	78%	0.783	S	S	*	*			cis	-138.8	-173.9	-36.4	42.9	-26.5	0	0	0	115.1
20	C	23.2	Very low	28.3	Very low	120 Å²	120	153.5 Å²	153.5	81%	0.811	79%	0.793	S	S	*	*			trans	68.5	109.3	149.8	-71.3	0	0	0	0	125.5
21	S	24.8	Very low	27.9	Very low	114 Å²	114	149.1 Å²	149.1	80%	0.797	79%	0.794	S	S	*	*				80.8	152.4	112.1	-146.1	0	0	0	0	125.3
22	R	27.4	Very low	27.9	Very low	233 Å²	233	147.4 Å²	147.4	88%	0.879	80%	0.8	S	S	*	*			trans	93.5	131.1	156.9	-69.5	-172.6	174	-169.3	-2.4	123.6
23	H	26.5	Very low	27.7	Very low	173 Å²	173	149.5 Å²	149.5	80%	0.801	81%	0.806	S	S	*	*			trans	-57.7	164.5	176.3	-47.9	-62	0	0	0	118.1
24	F	24.4	Very low	27.9	Very low	197 Å²	197	149.2 Å²	149.2	86%	0.864	81%	0.812	S	S	*	*				-173	115.1	118.9	-110.4	-87.3	0	0	0	108.2
25	K	24.7	Very low	27.7	Very low	167 Å²	167	147.7 Å²	147.7	73%	0.726	81%	0.812	S	S	*	*				72.2	109.5	75.7	-89.6	-157.7	174.7	-177.2	0	118.1
26	F	25.7	Very low	27.6	Very low	174 Å²	174	150.9 Å²	150.9	76%	0.763	81%	0.813	S	S	*	*			trans	61.4	123.3	143.7	-84	-98	0	0	0	123.5
27	T	25.8	Very low	27.6	Very low	129 Å²	129	151.8 Å²	151.8	79%	0.791	81%	0.811	S	S	*	*				179.7	123.5	108.6	25.8	0	0	0	0	111.6
28	R	25.5	Very low	26.5	Very low	246 Å²	246	156.3 Å²	156.3	93%	0.928	82%	0.819	S	S	*	*				64.1	115.6	95.6	-97.1	-173.7	175	-175.7	-0.1	116.9
29	G	25	Very low	26.6	Very low	81 Å²	81	157.5 Å²	157.5	84%	0.835	82%	0.821	S	S	*	*			trans	-175.5	35.1	178.6	0	0	0	0	0	122.3
30	K	26.4	Very low	25.7	Very low	196 Å²	196	157.1 Å²	157.1	85%	0.852	82%	0.821	S	S	*	*			trans	28.4	121.8	162.5	-74.7	-170.6	173.2	-173.7	0	123.1
31	C	23.3	Very low	26	Very low	121 Å²	121	155.9 Å²	155.9	82%	0.818	82%	0.82	S	S	*	*				58.3	112.8	127.7	-52.8	0	0	0	0	122.3
32	A	25.4	Very low	26.2	Very low	106 Å²	106	156.3 Å²	156.3	88%	0.876	82%	0.82	S	S	*	*				173.2	154.4	100.3	0	0	0	0	0	113.7
33	Q	25.6	Very low	26.2	Very low	183 Å²	183	149.8 Å²	149.8	86%	0.855	81%	0.81	S	S	*	*			trans	-76.5	170.2	-178.1	-97.4	171.4	-14.2	0	0	113.7
34	P	32.6	Very low	26.4	Very low	126 Å²	126	151 Å²	151	82%	0.818	82%	0.816	S	S	*	*			cis	-129.2	177	30.9	39.2	-21.1	0	0	0	117.2
35	A	26.3	Very low	26.8	Very low	84 Å²	84	148.2 Å²	148.2	69%	0.694	81%	0.81	S	S	*	*			trans	-101.3	146.6	-167.3	0	0	0	0	0	114.3
36	W	24.2	Very low	27.2	Very low	217 Å²	217	147.6 Å²	147.6	82%	0.822	81%	0.814	S	S	*	*			trans	-138.6	125.8	156.1	-89.5	84.4	0	0	0	111.2
37	R	24.5	Very low	27.3	Very low	209 Å²	209	147 Å²	147	79%	0.789	82%	0.818	S	S	*	*			trans	24.7	118	157.5	-58.3	-177.7	-177.5	-171.2	-1.6	119.1
38	K	25.9	Very low	27.6	Very low	211 Å²	211	148.7 Å²	148.7	92%	0.917	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.8	140.7	149.1	-80.8	-178.3	172.8	-179.8	0	109.2
39	A	26.2	Very low	27.9	Very low	100 Å²	100	142.9 Å²	142.9	83%	0.826	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.9	140.8	165	0	0	0	0	0	110.3
40	S	26.6	Very low	28.2	Very low	112 Å²	112	148.8 Å²	148.8	78%	0.783	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.2	156	159.9	41.1	0	0	0	0	110.2
41	A	28.3	Very low	28.5	Very low	94 Å²	94	146.3 Å²	146.3	78%	0.777	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.2	138.4	168.5	0	0	0	0	0	109.9
42	P	29.1	Very low	28.6	Very low	124 Å²	124	148.9 Å²	148.9	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.4	149.1	172.3	31.7	-34	0	0	0	111.2
43	S	28.2	Very low	28.9	Very low	96 Å²	96	156.4 Å²	156.4	67%	0.671	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.2	163.3	172.7	50.4	0	0	0	0	112.3	D45	S43-D45 PolarHBondContact O-N 2.74Å
44	Q	31.1	Very low	29.5	Very low	197 Å²	197	152.2 Å²	152.2	92%	0.921	82%	0.821	S	S	*	*	S	Bend	trans	-80.6	14.1	-176.7	-65.5	-172	-90.3	0	0	114.5	L46	Q44-L46 PolarHBondContact O-N 3.44Å
45	D	32.5	Very low	29.3	Very low	140 Å²	140	154.2 Å²	154.2	75%	0.749	82%	0.821	S	S	*	*			trans	-95.2	44.3	-172.4	-65.2	-64	0	0	0	114.6	S43	S43-D45 PolarHBondContact O-N 2.74Å
46	L	32.1	Very low	29.9	Very low	153 Å²	153	158.4 Å²	158.4	80%	0.801	83%	0.827	S	S	*	*	S	Bend	trans	-149.5	43.9	170.8	-146.8	75	0	0	0	115.5	Q44	Q44-L46 PolarHBondContact O-N 3.44Å
47	L	29.7	Very low	30.6	Very low	161 Å²	161	154 Å²	154	84%	0.843	83%	0.829	S	S	*	*	S	Bend	trans	-131.8	6.1	172.7	-120	148.1	0	0	0	115.2
48	I	32.1	Very low	31.4	Very low	165 Å²	165	146.7 Å²	146.7	85%	0.846	82%	0.819	S	S	*	*	S	Bend	trans	-112.7	61.1	177.5	-45.6	-179.3	0	0	0	110.4
49	T	31.5	Very low	32.2	Very low	124 Å²	124	142.4 Å²	142.4	76%	0.761	80%	0.802	S	S	*	*	S	Bend	trans	-152.5	11.2	175.5	-6.1	0	0	0	0	114.6
50	K	31	Very low	32.9	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.896	79%	0.794	S	S	*	*	S	Bend	trans	-136.5	11.3	-173.7	-110	179.7	-178.9	177.8	0	117.6
51	V	31.3	Very low	33.7	Very low	144 Å²	144	144.5 Å²	144.5	87%	0.873	79%	0.789	S	S	*	*	S	Bend	trans	-140.3	71.4	170.7	-167.1	0	0	0	0	111.1
52	M	27	Very low	34.3	Very low	175 Å²	175	148.5 Å²	148.5	86%	0.862	78%	0.784	S	S	*	*			trans	-142.4	27.6	173.2	-87.7	-161.3	73.6	0	0	113.9
53	W	31.6	Very low	35	Very low	263 Å²	263	145.4 Å²	145.4	100%	0.996	77%	0.769	S	S	*	*	S	Bend	trans	-130.4	55.4	176.6	-92.6	77.6	0	0	0	112.5
54	A	38.6	Very low	35.7	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	77%	0.765	S	S	*	*			trans	-179.6	103.1	153.7	0	0	0	0	0	110.8
55	M	27.6	Very low	36.2	Very low	167 Å²	167	141.5 Å²	141.5	82%	0.823	75%	0.746	S	S	*	*			trans	-162.8	150.6	155.4	-117.1	176.9	133.9	0	0	110.8
56	E	38.1	Very low	36.5	Very low	172 Å²	172	141 Å²	141	80%	0.804	74%	0.737	S	S	*	*			trans	-89.6	166.5	-162.8	-61.8	-178.9	126	0	0	114.4	G58	E56-G58 PolarHBondContact O-N 2.66Å
57	S	38.9	Very low	36.6	Very low	124 Å²	124	139 Å²	139	87%	0.867	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	22.4	-173.2	45.5	0	0	0	0	116.1
58	G	41.7	Very low	36.8	Very low	57 Å²	57	137 Å²	137	59%	0.588	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-29.6	174.7	0	0	0	0	0	115	E56	E56-G58 PolarHBondContact O-N 2.66Å
59	H	42.4	Very low	37	Very low	121 Å²	121	133.3 Å²	133.3	56%	0.56	70%	0.7	S	S	*	*	S	Bend	trans	-89.9	-14	-166.1	-70.4	-75.7	0	0	0	115.8	L61 W62 A63	H59-L61 VanDerWaalsContact C-N 3.3Å; H59-L61 PolarHBondContact O-N 2.89Å; H59-W62 PolarHBondContact O-N 3.01Å; H59-W62 VanDerWaalsContact O-N 3.14Å; H59-A63 PolarHBondContact O-N 2.56Å
60	L	42.3	Very low	37.3	Very low	126 Å²	126	134.1 Å²	134.1	66%	0.66	70%	0.699	S	S	*	*	H	α-helix	trans	-60.2	-35.4	-179.4	-105.4	98.3	0	0	0	113.4	W62 A63 L64	L60-W62 VanDerWaalsContact C-N 3.33Å; L60-W62 PolarHBondContact O-N 2.75Å; L60-A63 PolarHBondContact O-N 3.37Å; L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.09Å
61	L	41.8	Very low	37.2	Very low	129 Å²	129	132.7 Å²	132.7	68%	0.675	69%	0.688	S	S	*	*	H	α-helix	trans	-66.4	-33.4	177.7	-94	83.9	0	0	0	112.8	H59 L65	H59-L61 VanDerWaalsContact C-N 3.3Å; H59-L61 PolarHBondContact O-N 2.89Å; L61-L65 WeakPolarHBondContact O-CG 3.41Å; L61-L65 PolarHBondContact O-N 3.22Å; L61-L65 VanDerWaalsContact O-N 3.14Å
62	W	41.4	Very low	37.3	Very low	178 Å²	178	131.2 Å²	131.2	67%	0.674	68%	0.682	S	S	*	*	H	α-helix	trans	-76	-37.9	178.1	-101.5	70.1	0	0	0	112	H59 L60 L64 L65 F66	H59-W62 PolarHBondContact O-N 3.01Å; H59-W62 VanDerWaalsContact O-N 3.14Å; L60-W62 VanDerWaalsContact C-N 3.33Å; L60-W62 PolarHBondContact O-N 2.75Å; W62-L64 VanDerWaalsContact C-N 3.35Å; W62-L65 PolarHBondContact O-N 3.35Å; W62-F66 HydrophobicContact CE3-CD2 4.22Å; W62-F66 AromaticContact CE3-CE2 3.98Å; W62-F66 HydrophobicContact CE3-CE2 3.98Å; W62-F66 HydrophobicContact CZ3-CD2 4.49Å; W62-F66 AromaticContact CZ3-CE2 3.8Å; W62-F66 HydrophobicContact CZ3-CE2 3.8Å; W62-F66 PolarHBondContact O-N 2.85Å; W62-F66 VanDerWaalsContact O-N 3.07Å
63	A	43.3	Very low	37.6	Very low	60 Å²	60	131.1 Å²	131.1	50%	0.496	68%	0.679	S	S	.	*	H	α-helix	trans	-61	-43.5	170.9	0	0	0	0	0	111.7	H59 L60 L65 F66 M67	H59-A63 PolarHBondContact O-N 2.56Å; L60-A63 PolarHBondContact O-N 3.37Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 2.73Å; A63-F66 PolarHBondContact O-N 2.91Å; A63-M67 VanDerWaalsContact O-CG 3.26Å; A63-M67 WeakPolarHBondContact O-CG 3.21Å; A63-M67 PolarHBondContact O-N 3.14Å
64	L	42.9	Very low	37.7	Very low	110 Å²	110	126.8 Å²	126.8	58%	0.576	68%	0.675	S	S	*	*	H	α-helix	trans	-64.7	-30.9	176.8	-77.9	165.7	0	0	0	113.5	L60 W62	L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.09Å; W62-L64 VanDerWaalsContact C-N 3.35Å
65	L	42.6	Very low	37.8	Very low	100 Å²	100	126.2 Å²	126.2	52%	0.524	66%	0.662	S	S	.	*	H	α-helix	trans	-74.5	-40.5	174.9	-76.9	165.3	0	0	0	112.4	L61 W62 A63 M67 Q68	L61-L65 WeakPolarHBondContact O-CG 3.41Å; L61-L65 PolarHBondContact O-N 3.22Å; L61-L65 VanDerWaalsContact O-N 3.14Å; W62-L65 PolarHBondContact O-N 3.35Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 2.73Å; L65-M67 VanDerWaalsContact C-N 3.3Å; L65-M67 PolarHBondContact O-N 3.48Å; L65-Q68 PolarHBondContact O-N 2.82Å
66	F	38.8	Very low	39.3	Very low	129 Å²	129	125.9 Å²	125.9	57%	0.566	66%	0.663	S	S	*	*	H	α-helix	trans	-69.2	-26.1	174.4	-97.6	-93.5	0	0	0	113.5	W62 A63 Q68 S69	W62-F66 HydrophobicContact CE3-CD2 4.22Å; W62-F66 AromaticContact CE3-CE2 3.98Å; W62-F66 HydrophobicContact CE3-CE2 3.98Å; W62-F66 HydrophobicContact CZ3-CD2 4.49Å; W62-F66 AromaticContact CZ3-CE2 3.8Å; W62-F66 HydrophobicContact CZ3-CE2 3.8Å; W62-F66 PolarHBondContact O-N 2.85Å; W62-F66 VanDerWaalsContact O-N 3.07Å; A63-F66 PolarHBondContact O-N 2.91Å; F66-Q68 PolarHBondContact O-N 3.06Å; F66-S69 PolarHBondContact O-N 2.94Å; F66-S69 PolarHBondContact O-OG 2.72Å
67	M	34.5	Very low	40.8	Very low	112 Å²	112	119.1 Å²	119.1	55%	0.552	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-67.8	-20.4	171.1	-73.8	-74.2	-75.1	0	0	113.3	A63 L65 S69 L70	A63-M67 VanDerWaalsContact O-CG 3.26Å; A63-M67 WeakPolarHBondContact O-CG 3.21Å; A63-M67 PolarHBondContact O-N 3.14Å; L65-M67 VanDerWaalsContact C-N 3.3Å; L65-M67 PolarHBondContact O-N 3.48Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-L70 PolarHBondContact O-N 2.88Å
68	Q	33.3	Very low	43.1	Very low	120 Å²	120	115.4 Å²	115.4	56%	0.561	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-78.3	-16.2	175.3	-61.1	-159.3	-75.9	0	0	113.6	L65 F66	L65-Q68 PolarHBondContact O-N 2.82Å; F66-Q68 PolarHBondContact O-N 3.06Å
69	S	35.3	Very low	45.5	Very low	86 Å²	86	116.9 Å²	116.9	60%	0.601	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-90.9	3	171.2	41.1	0	0	0	0	113.9	F66 M67	F66-S69 PolarHBondContact O-N 2.94Å; F66-S69 PolarHBondContact O-OG 2.72Å; M67-S69 VanDerWaalsContact C-N 3.33Å
70	L	38.4	Very low	47.9	Very low	141 Å²	141	113.1 Å²	113.1	74%	0.738	60%	0.595	S	S	*	*	S	Bend	trans	-131.1	22.4	179.6	-82.3	167.4	0	0	0	112.8	M67	M67-L70 PolarHBondContact O-N 2.88Å
71	W	29.3	Very low	50.4	Low	176 Å²	176	110.1 Å²	110.1	67%	0.667	58%	0.582	S	S	*	*	S	Bend	trans	-81.7	132.8	155.7	-70.3	-13.6	0	0	0	108.5	Q73	W71-Q73 PolarHBondContact O-N 2.79Å
72	P	32.8	Very low	53	Low	113 Å²	113	104.9 Å²	104.9	73%	0.734	55%	0.553	S	S	*	*			trans	-52.3	140.4	163.2	-22.4	33.1	0	0	0	109	L74	P72-L74 PolarHBondContact O-N 3.31Å
73	Q	33.6	Very low	55.7	Low	173 Å²	173	98.7 Å²	98.7	81%	0.808	53%	0.53	S	S	*	.			trans	-66.1	108.7	161.9	-74	-174.2	-33.1	0	0	106.8	W71 T75	W71-Q73 PolarHBondContact O-N 2.79Å; Q73-T75 HydrophobicContact CB-CG2 4.31Å; Q73-T75 PolarHBondContact O-N 3.5Å
74	L	34.3	Very low	58.3	Low	173 Å²	173	95.8 Å²	95.8	91%	0.906	51%	0.506	S	S	*	.			trans	-67.6	76.5	157.5	-86	155	0	0	0	107.3	P72 D76	P72-L74 PolarHBondContact O-N 3.31Å; L74-D76 PolarHBondContact O-N 2.99Å
75	T	40.8	Very low	60.9	Low	84 Å²	84	90.6 Å²	90.6	52%	0.515	48%	0.479	S	S	.	.			trans	-67.8	109.6	153	49.9	0	0	0	0	106.1	Q73	Q73-T75 HydrophobicContact CB-CG2 4.31Å; Q73-T75 PolarHBondContact O-N 3.5Å
76	D	59.3	Low	63.6	Low	160 Å²	160	85.8 Å²	85.8	86%	0.856	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-50.6	140	155	-92.2	-33.4	0	0	0	107.7	L74	L74-D76 PolarHBondContact O-N 2.99Å
77	G	69.8	Low	66.3	Low	30 Å²	30	81.7 Å²	81.7	31%	0.309	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-61.7	149.5	173.6	0	0	0	0	0	111.2	G162	G77-G162 WeakPolarHBondContact CA-O 3.49Å
78	A	86.4	Confident	69.3	Low	46 Å²	46	78.6 Å²	78.6	38%	0.38	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-73.6	131.5	175.3	0	0	0	0	0	110	R80 D163 V164	A78-R80 HydrophobicContact CB-CG 4.47Å; A78-R80 PolarHBondContact O-N 3.03Å; A78-D163 PolarHBondContact N-OD1 3.11Å; A78-D163 WeakPolarHBondContact O-CA 2.98Å; A78-D163 WeakPolarHBondContact O-CB 3.45Å; A78-V164 PolarHBondContact O-N 3.26Å
79	T	92.2	Very high	72.3	Confident	87 Å²	87	74.3 Å²	74.3	53%	0.534	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.3	162	-47.2	0	0	0	0	108.3	V81 V164 L166	T79-V81 HydrophobicContact CG2-CG2 4.32Å; T79-V164 CarbonylContact C-O 3.51Å; T79-V164 WeakPolarHBondContact CA-O 3.22Å; T79-V164 HydrophobicContact CG2-CB 4.48Å; T79-L166 HydrophobicContact CG2-CD1 3.53Å; T79-L166 HydrophobicContact CG2-CG 3.85Å
80	R	92.4	Very high	75.2	Confident	43 Å²	43	77.3 Å²	77.3	16%	0.162	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.3	175.9	-58.3	-176.5	-171.4	-108.2	-3.1	108	A78 Y82 Q158 D163 V164 L166	A78-R80 HydrophobicContact CB-CG 4.47Å; A78-R80 PolarHBondContact O-N 3.03Å; R80-Y82 HydrophobicContact CB-CE2 4.01Å; R80-Q158 WeakPolarHBondContact CD-O 3.28Å; R80-D163 IonicContact CZ-OD2 2.84Å; R80-D163 IonicContact NE-OD2 3.54Å; R80-D163 PolarHBondContact NE-OD2 3.16Å; R80-D163 IonicContact NH2-OD2 3.77Å; R80-D163 PolarHBondContact NH2-OD2 2.68Å; R80-V164 PolarHBondContact N-O 2.93Å; R80-L166 PolarHBondContact O-N 3.13Å
81	V	95.1	Very high	78	Confident	63 Å²	63	72.2 Å²	72.2	38%	0.382	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.4	-174.5	-171.8	0	0	0	0	108.8	T79 Y83 L166	T79-V81 HydrophobicContact CG2-CG2 4.32Å; V81-Y83 HydrophobicContact CG1-CE1 4.38Å; V81-Y83 HydrophobicContact CG1-CE2 3.82Å; V81-L166 WeakPolarHBondContact CA-O 3.2Å; V81-L166 HydrophobicContact CG2-CB 4.45Å
82	Y	96.4	Very high	81.3	Confident	18 Å²	18	66.5 Å²	66.5	7%	0.071	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.6	178.3	-66.1	-88.1	0	0	0	109.8	R80 L157 Q158 I165 L166 I167 H168	R80-Y82 HydrophobicContact CB-CE2 4.01Å; Y82-L157 HydrophobicContact CD1-CD2 3.54Å; Y82-L157 HydrophobicContact CD2-CD2 3.84Å; Y82-L157 HydrophobicContact CE1-CD2 3.74Å; Y82-L157 HydrophobicContact CE2-CD2 4.03Å; Y82-L157 HydrophobicContact CG-CD2 3.58Å; Y82-Q158 PolarHBondContact OH-N 3.34Å; Y82-Q158 PolarHBondContact OH-O 2.77Å; Y82-I165 HydrophobicContact CD2-CG2 3.9Å; Y82-I165 HydrophobicContact CE2-CG2 4.08Å; Y82-L166 PolarHBondContact N-O 3.04Å; Y82-I167 WeakPolarHBondContact O-CA 3.36Å; Y82-H168 PolarHBondContact O-N 2.95Å
83	Y	97.8	Very high	84.4	Confident	48 Å²	48	61.1 Å²	61.1	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.9	175.7	-59.6	-85.8	0	0	0	108.6	V81 E134 Y135 D138 H168	V81-Y83 HydrophobicContact CG1-CE1 4.38Å; V81-Y83 HydrophobicContact CG1-CE2 3.82Å; Y83-E134 CarbonylContact O-C 3.53Å; Y83-E134 WeakPolarHBondContact O-CA 3.22Å; Y83-Y135 PolarHBondContact O-N 2.91Å; Y83-D138 HydrophobicContact CD1-CB 4.15Å; Y83-D138 HydrophobicContact CE1-CB 3.75Å; Y83-H168 HydrophobicContact CD1-CB 3.52Å; Y83-H168 AromaticContact CD1-CD2 3.85Å; Y83-H168 AromaticContact CD1-CG 3.75Å; Y83-H168 HydrophobicContact CE1-CB 3.88Å; Y83-H168 AromaticContact CE1-CD2 3.36Å; Y83-H168 WeakPolarHBondContact CE1-CD2 3.33Å; Y83-H168 AromaticContact CE1-CG 3.54Å; Y83-H168 AromaticContact CE1-NE2 3.88Å; Y83-H168 HydrophobicContact CG-CB 4.42Å; Y83-H168 AromaticContact CZ-CD2 3.92Å
84	L	98.1	Very high	87.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.8	-172.7	-61.3	-171.4	0	0	0	111	K133 E134 P155 I167 H168 L169 K170 I179	L84-K133 CarbonylContact C-O 3.53Å; L84-K133 WeakPolarHBondContact CA-O 3.48Å; L84-E134 HydrophobicContact CD2-CB 4.42Å; L84-P155 HydrophobicContact CD2-CG 3.45Å; L84-P155 VanDerWaalsContact CD2-CG 3.45Å; L84-I167 HydrophobicContact CB-CG2 4.34Å; L84-I167 HydrophobicContact CD1-CG2 3.71Å; L84-I167 HydrophobicContact CG-CG2 3.99Å; L84-H168 PolarHBondContact N-O 2.97Å; L84-L169 HydrophobicContact CB-CD1 3.8Å; L84-L169 CarbonylContact O-C 3.49Å; L84-L169 WeakPolarHBondContact O-CA 3.41Å; L84-K170 PolarHBondContact O-N 2.93Å; L84-I179 HydrophobicContact CD1-CD1 3.55Å
85	G	97.8	Very high	90.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.6	172.4	0	0	0	0	0	111.1	K133 K170	G85-K133 PolarHBondContact N-O 2.87Å; G85-K133 PolarHBondContact O-N 2.03Å; G85-K170 WeakPolarHBondContact CA-O 3.5Å
86	I	98.4	Very high	92.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.4	169	-68	177.4	0	0	0	108.2	T130 Y132 L169 K170 F172 A173 Y177 L253	I86-T130 HydrophobicContact CG2-CG2 3.41Å; I86-T130 VanDerWaalsContact CG2-CG2 3.41Å; I86-Y132 HydrophobicContact CD1-CD1 4.36Å; I86-Y132 HydrophobicContact CD1-CE1 3.78Å; I86-Y132 HydrophobicContact CG1-CD1 3.7Å; I86-Y132 HydrophobicContact CG1-CE1 3.65Å; I86-L169 HydrophobicContact CD1-CD1 4.05Å; I86-L169 HydrophobicContact CD1-CD2 4.08Å; I86-L169 HydrophobicContact CD1-CG 4.34Å; I86-L169 HydrophobicContact CG1-CD1 4Å; I86-K170 PolarHBondContact N-O 2.92Å; I86-F172 WeakPolarHBondContact O-CA 3.26Å; I86-F172 VanDerWaalsContact O-CB 3.32Å; I86-F172 WeakPolarHBondContact O-CB 3.46Å; I86-F172 PolarHBondContact O-N 3.48Å; I86-A173 HydrophobicContact CG2-CB 3.97Å; I86-A173 PolarHBondContact O-N 3.1Å; I86-Y177 HydrophobicContact CG2-CD2 3.79Å; I86-Y177 HydrophobicContact CG2-CE2 4.42Å; I86-Y177 HydrophobicContact CG2-CG 4.49Å; I86-L253 HydrophobicContact CG1-CD2 4.35Å; I86-L253 HydrophobicContact CG2-CD1 4.37Å; I86-L253 HydrophobicContact CG2-CD2 4.06Å
87	Q	96.5	Very high	94.5	Very high	42 Å²	42	43.1 Å²	43.1	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.2	-175.1	-68.2	-161.2	-17.5	0	0	113.8	T130 I131 K133 Y135 F172	Q87-T130 CarbonylContact O-C 3.57Å; Q87-T130 WeakPolarHBondContact O-CA 3.48Å; Q87-I131 PolarHBondContact N-O 2.81Å; Q87-I131 PolarHBondContact O-N 3.4Å; Q87-K133 VanDerWaalsContact OE1-CE 3.31Å; Q87-Y135 VanDerWaalsContact CD-OH 3.25Å; Q87-Y135 PolarHBondContact NE2-OH 2.91Å; Q87-Y135 PolarHBondContact OE1-OH 3.39Å; Q87-F172 HydrophobicContact CG-CB 4.22Å; Q87-F172 HydrophobicContact CG-CD2 4.11Å; Q87-F172 HydrophobicContact CG-CG 4.47Å
88	D	96.9	Very high	95.6	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.3	168	-72.1	-0.3	0	0	0	110.8	K128 K129 T130 A173 H294	D88-K128 WeakPolarHBondContact OD2-CE 3.34Å; D88-K128 IonicContact OD2-NZ 2.71Å; D88-K128 PolarHBondContact OD2-NZ 2.78Å; D88-K129 CarbonylContact C-O 3.53Å; D88-K129 WeakPolarHBondContact CA-O 3.4Å; D88-T130 PolarHBondContact OD1-OG1 3.05Å; D88-A173 WeakPolarHBondContact OD1-CB 3.34Å; D88-H294 IonicContact OD1-CE1 2.61Å; D88-H294 IonicContact OD1-NE2 2.74Å; D88-H294 IonicContact OD2-CE1 2.85Å
89	V	96	Very high	96	Very high	31 Å²	31	45 Å²	45	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.7	-179.2	-63.7	0	0	0	0	111.2	K128 K129 I131	V89-K128 WeakPolarHBondContact O-CA 3.47Å; V89-K129 HydrophobicContact CG2-CB 4.32Å; V89-K129 PolarHBondContact N-O 2.69Å; V89-K129 PolarHBondContact O-N 2.86Å; V89-I131 HydrophobicContact CG1-CD1 3.93Å; V89-I131 HydrophobicContact CG1-CG1 3.91Å; V89-I131 HydrophobicContact CG2-CD1 4.01Å; V89-I131 HydrophobicContact CG2-CG1 3.89Å; V89-I131 HydrophobicContact CG2-CG2 3.91Å
90	Q	97.4	Very high	96.1	Very high	149 Å²	149	41.8 Å²	41.8	70%	0.696	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	113.7	163.6	-71.9	-179.3	-20	0	0	108.8
91	W	97.8	Very high	96.2	Very high	34 Å²	34	40.2 Å²	40.2	13%	0.129	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.8	175.1	-172.4	-110	0	0	0	110.8	Y93 I126 Y127 K129 F152 G327 F328	W91-Y93 AromaticContact CD1-CD2 3.63Å; W91-Y93 AromaticContact CD1-CE2 3.55Å; W91-Y93 AromaticContact CD1-CG 3.92Å; W91-Y93 AromaticContact CD1-CZ 3.78Å; W91-Y93 AromaticContact NE1-CD1 3.84Å; W91-Y93 AromaticContact NE1-CE1 3.99Å; W91-Y93 AromaticContact NE1-CG 3.88Å; W91-I126 VanDerWaalsContact O-CA 3.32Å; W91-I126 WeakPolarHBondContact O-CA 3.35Å; W91-I126 WeakPolarHBondContact O-CG2 3.13Å; W91-Y127 PolarHBondContact N-O 2.75Å; W91-Y127 PolarHBondContact O-N 2.93Å; W91-K129 HydrophobicContact CB-CB 4.28Å; W91-K129 HydrophobicContact CB-CD 3.69Å; W91-K129 HydrophobicContact CB-CG 3.79Å; W91-K129 HydrophobicContact CG-CD 3.91Å; W91-F152 HydrophobicContact CD2-CB 4.03Å; W91-F152 HydrophobicContact CD2-CD1 4.38Å; W91-F152 AromaticContact CE2-CD1 4Å; W91-F152 HydrophobicContact CE3-CB 3.97Å; W91-F152 HydrophobicContact CH2-CB 4.35Å; W91-F152 HydrophobicContact CZ2-CB 4.39Å; W91-F152 HydrophobicContact CZ2-CD1 4.41Å; W91-F152 HydrophobicContact CZ3-CB 4.13Å; W91-F152 AromaticContact NE1-CD1 3.91Å; W91-G327 PolarHBondContact NE1-O 3.2Å; W91-F328 AromaticContact CH2-CE1 3.81Å; W91-F328 HydrophobicContact CH2-CE1 3.81Å; W91-F328 AromaticContact CH2-CE2 3.92Å; W91-F328 HydrophobicContact CH2-CE2 3.92Å; W91-F328 AromaticContact CH2-CZ 3.43Å; W91-F328 HydrophobicContact CH2-CZ 3.43Å; W91-F328 VanDerWaalsContact CH2-CZ 3.43Å; W91-F328 HydrophobicContact CZ2-CD1 4.08Å; W91-F328 HydrophobicContact CZ2-CD2 4.29Å; W91-F328 AromaticContact CZ2-CE1 3.68Å; W91-F328 HydrophobicContact CZ2-CE1 3.68Å; W91-F328 AromaticContact CZ2-CE2 3.96Å; W91-F328 HydrophobicContact CZ2-CE2 3.96Å; W91-F328 HydrophobicContact CZ2-CG 4.39Å; W91-F328 AromaticContact CZ2-CZ 3.65Å; W91-F328 HydrophobicContact CZ2-CZ 3.65Å
92	N	97.5	Very high	96	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.5	174.7	-179	-26.8	0	0	0	108.3	A94 P95 G125 I126	N92-A94 VanDerWaalsContact C-N 3.28Å; N92-A94 PolarHBondContact O-N 3.44Å; N92-A94 WeakPolarHBondContact OD1-CA 3.03Å; N92-A94 PolarHBondContact OD1-N 3.38Å; N92-P95 WeakPolarHBondContact O-CD 3.49Å; N92-G125 WeakPolarHBondContact CA-O 3.49Å; N92-G125 PolarHBondContact OD1-O 2.93Å; N92-I126 HydrophobicContact CB-CG1 4.18Å
93	Y	97.9	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-74.4	-17.8	-176.6	-74.8	-92.4	0	0	0	113.1	W91 G125 Y127 K129 V287 E289 M322 A324 G327 F328 V329	W91-Y93 AromaticContact CD1-CD2 3.63Å; W91-Y93 AromaticContact CD1-CE2 3.55Å; W91-Y93 AromaticContact CD1-CG 3.92Å; W91-Y93 AromaticContact CD1-CZ 3.78Å; W91-Y93 AromaticContact NE1-CD1 3.84Å; W91-Y93 AromaticContact NE1-CE1 3.99Å; W91-Y93 AromaticContact NE1-CG 3.88Å; Y93-G125 PolarHBondContact N-O 3.08Å; Y93-Y127 AromaticContact CD2-CD2 3.77Å; Y93-Y127 HydrophobicContact CD2-CD2 3.77Å; Y93-Y127 HydrophobicContact CD2-CE2 4.21Å; Y93-Y127 AromaticContact CE2-CD2 3.55Å; Y93-Y127 HydrophobicContact CE2-CD2 3.55Å; Y93-Y127 HydrophobicContact CE2-CE2 4.13Å; Y93-Y127 HydrophobicContact CE2-CG 4.24Å; Y93-K129 PolarHBondContact OH-NZ 2.97Å; Y93-V287 HydrophobicContact CE1-CB 4.35Å; Y93-V287 VanDerWaalsContact OH-CG1 3.24Å; Y93-V287 WeakPolarHBondContact OH-CG1 3.32Å; Y93-E289 PolarHBondContact OH-OE1 2.68Å; Y93-M322 HydrophobicContact CD1-CB 3.62Å; Y93-M322 HydrophobicContact CD1-CE 4.06Å; Y93-M322 HydrophobicContact CD1-CG 4.05Å; Y93-M322 HydrophobicContact CD2-CE 3.92Å; Y93-M322 HydrophobicContact CD2-CG 4.04Å; Y93-M322 HydrophobicContact CE1-CB 3.35Å; Y93-M322 HydrophobicContact CE1-CG 3.85Å; Y93-M322 HydrophobicContact CE2-CB 4.29Å; Y93-M322 HydrophobicContact CE2-CG 3.84Å; Y93-M322 HydrophobicContact CG-CB 4.22Å; Y93-M322 HydrophobicContact CG-CE 3.59Å; Y93-M322 HydrophobicContact CG-CG 4.16Å; Y93-A324 HydrophobicContact CD1-CB 4.3Å; Y93-A324 HydrophobicContact CE1-CB 4.32Å; Y93-G327 WeakPolarHBondContact CA-O 3.45Å; Y93-G327 WeakPolarHBondContact CD1-O 3.48Å; Y93-F328 WeakPolarHBondContact O-CA 3.44Å; Y93-V329 HydrophobicContact CD1-CG1 4.38Å; Y93-V329 PolarHBondContact O-N 3.21Å
94	A	96.8	Very high	95.4	Very high	6 Å²	6	44.8 Å²	44.8	5%	0.05	24%	0.235	C	C	.	.			trans	-140	61.1	-178.1	0	0	0	0	0	114.4	N92 K96 G97 L116 V329 N332	N92-A94 VanDerWaalsContact C-N 3.28Å; N92-A94 PolarHBondContact O-N 3.44Å; N92-A94 WeakPolarHBondContact OD1-CA 3.03Å; N92-A94 PolarHBondContact OD1-N 3.38Å; A94-K96 PolarHBondContact O-N 2.73Å; A94-G97 PolarHBondContact O-N 2.84Å; A94-L116 HydrophobicContact CB-CD1 3.4Å; A94-L116 VanDerWaalsContact CB-CD1 3.4Å; A94-L116 HydrophobicContact CB-CD2 3.62Å; A94-L116 HydrophobicContact CB-CG 4.14Å; A94-V329 HydrophobicContact CB-CG2 4.28Å; A94-N332 VanDerWaalsContact C-OD1 3.29Å; A94-N332 VanDerWaalsContact CA-CG 3.42Å; A94-N332 WeakPolarHBondContact CA-OD1 3.33Å
95	P	95.9	Very high	95.1	Very high	74 Å²	74	48.2 Å²	48.2	48%	0.481	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.5	-173.2	25	-37.6	0	0	0	115.5	N92 G97 F328	N92-P95 WeakPolarHBondContact O-CD 3.49Å; P95-G97 VanDerWaalsContact C-N 3.32Å; P95-F328 HydrophobicContact CG-CD1 4.24Å; P95-F328 HydrophobicContact CG-CE1 3.96Å
96	K	94.1	Very high	94.7	Very high	89 Å²	89	49.8 Å²	49.8	39%	0.387	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.2	176.1	-53.4	161.1	-171	169.7	0	112.6	A94 R98 V100 G331 N332 L333	A94-K96 PolarHBondContact O-N 2.73Å; K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 HydrophobicContact CB-CG 4.27Å; K96-R98 PolarHBondContact O-N 3.4Å; K96-R98 PolarHBondContact O-NE 2.99Å; K96-V100 HydrophobicContact CB-CG2 4.4Å; K96-V100 HydrophobicContact CD-CG2 3.49Å; K96-V100 VanDerWaalsContact CD-CG2 3.49Å; K96-G331 PolarHBondContact NZ-O 3.47Å; K96-N332 WeakPolarHBondContact CB-OD1 3.26Å; K96-N332 WeakPolarHBondContact CE-O 3.34Å; K96-N332 WeakPolarHBondContact CG-OD1 3.36Å; K96-N332 PolarHBondContact N-OD1 2.91Å; K96-N332 VanDerWaalsContact NZ-C 3.32Å; K96-N332 PolarHBondContact NZ-O 2.79Å; K96-L333 PolarHBondContact NZ-O 3.5Å
97	G	92.9	Very high	94.1	Very high	44 Å²	44	56.1 Å²	56.1	45%	0.454	30%	0.3	S	S	.	.	S	Bend	trans	63.4	30	174.6	0	0	0	0	0	114.6	A94 P95	A94-G97 PolarHBondContact O-N 2.84Å; P95-G97 VanDerWaalsContact C-N 3.32Å
98	R	93.7	Very high	93.8	Very high	108 Å²	108	57.3 Å²	57.3	41%	0.408	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-161.8	162.2	-175.1	68.7	-175.3	68.6	-153.3	-3.7	111.3	K96 V100 N103 Q104 N332	K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 HydrophobicContact CB-CG 4.27Å; K96-R98 PolarHBondContact O-N 3.4Å; K96-R98 PolarHBondContact O-NE 2.99Å; R98-V100 HydrophobicContact CG-CG2 4.18Å; R98-N103 PolarHBondContact NH1-OD1 2.98Å; R98-Q104 WeakPolarHBondContact CB-O 3.38Å; R98-N332 PolarHBondContact O-ND2 2.89Å
99	N	94.8	Very high	93.5	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	31%	0.305	C	S	.	.			trans	-74.2	120.7	156.2	-177.4	-21.7	0	0	0	108.2	I101 T102 N103 Q104 D109 A112 F330	N99-I101 WeakPolarHBondContact OD1-CB 3.23Å; N99-I101 PolarHBondContact OD1-N 3.15Å; N99-T102 WeakPolarHBondContact CB-OG1 3.19Å; N99-T102 PolarHBondContact ND2-OG1 2.68Å; N99-T102 PolarHBondContact OD1-N 3Å; N99-T102 VanDerWaalsContact OD1-N 3.12Å; N99-T102 PolarHBondContact OD1-OG1 2.85Å; N99-N103 CarbonylContact O-C 3.54Å; N99-N103 WeakPolarHBondContact O-CA 3.5Å; N99-N103 PolarHBondContact O-N 3.1Å; N99-N103 VanDerWaalsContact O-N 3.1Å; N99-Q104 PolarHBondContact N-O 2.98Å; N99-Q104 PolarHBondContact O-N 3.32Å; N99-D109 VanDerWaalsContact CB-OD2 3.25Å; N99-D109 WeakPolarHBondContact CB-OD2 3.16Å; N99-D109 PolarHBondContact ND2-OD2 3.08Å; N99-A112 HydrophobicContact CB-CB 4.42Å; N99-F330 HydrophobicContact CB-CB 4.08Å
100	V	94.7	Very high	93.2	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.115	33%	0.33	C	S	.	.	S	Bend	trans	-82.9	-31	-177.3	-176.8	0	0	0	0	111.3	K96 R98 N103 F330 G331 L414 N553	K96-V100 HydrophobicContact CB-CG2 4.4Å; K96-V100 HydrophobicContact CD-CG2 3.49Å; K96-V100 VanDerWaalsContact CD-CG2 3.49Å; R98-V100 HydrophobicContact CG-CG2 4.18Å; V100-N103 PolarHBondContact O-N 2.81Å; V100-F330 WeakPolarHBondContact CB-O 3.33Å; V100-F330 PolarHBondContact N-O 2.89Å; V100-G331 WeakPolarHBondContact CB-O 3.37Å; V100-G331 WeakPolarHBondContact CG2-O 3.09Å; V100-L414 HydrophobicContact CG1-CD1 4.23Å; V100-N553 WeakPolarHBondContact O-CB 3.36Å; V100-N553 PolarHBondContact O-ND2 2.86Å
101	I	93.1	Very high	93	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.051	31%	0.311	C	S	.	.	S	Bend	trans	-72.2	-39	-176.6	-52.8	-56.4	0	0	0	110.7	N99 L398 Q412 L414 N553	N99-I101 WeakPolarHBondContact OD1-CB 3.23Å; N99-I101 PolarHBondContact OD1-N 3.15Å; I101-L398 HydrophobicContact CD1-CD1 4.14Å; I101-Q412 HydrophobicContact CD1-CB 4.24Å; I101-Q412 HydrophobicContact CG1-CB 3.9Å; I101-L414 HydrophobicContact CD1-CD1 4.18Å; I101-L414 HydrophobicContact CD1-CD2 3.82Å; I101-L414 HydrophobicContact CD1-CG 3.75Å; I101-N553 WeakPolarHBondContact O-CB 3.41Å; I101-N553 PolarHBondContact O-N 3.35Å
102	T	91.1	Very high	92.7	Very high	64 Å²	64	54.6 Å²	54.6	39%	0.393	31%	0.305	S	S	.	.	S	Bend	trans	-93.2	-10.7	173.4	65	0	0	0	0	113.5	N99 Q104	N99-T102 WeakPolarHBondContact CB-OG1 3.19Å; N99-T102 PolarHBondContact ND2-OG1 2.68Å; N99-T102 PolarHBondContact OD1-N 3Å; N99-T102 VanDerWaalsContact OD1-N 3.12Å; N99-T102 PolarHBondContact OD1-OG1 2.85Å; T102-Q104 PolarHBondContact O-N 2.02Å; T102-Q104 WeakPolarHBondContact OG1-CB 3.2Å; T102-Q104 WeakPolarHBondContact OG1-CG 3.49Å; T102-Q104 PolarHBondContact OG1-N 2.89Å
103	N	91	Very high	92.5	Very high	81 Å²	81	53.6 Å²	53.6	43%	0.433	30%	0.302	S	S	.	.			trans	56.8	24.4	-169.7	-161.5	17.8	0	0	0	114.4	R98 N99 V100 N553	R98-N103 PolarHBondContact NH1-OD1 2.98Å; N99-N103 CarbonylContact O-C 3.54Å; N99-N103 WeakPolarHBondContact O-CA 3.5Å; N99-N103 PolarHBondContact O-N 3.1Å; N99-N103 VanDerWaalsContact O-N 3.1Å; V100-N103 PolarHBondContact O-N 2.81Å; N103-N553 HydrophobicContact CB-CB 4.23Å
104	Q	91.6	Very high	92.3	Very high	80 Å²	80	56.5 Å²	56.5	37%	0.374	32%	0.322	S	S	.	.			trans	-92.2	134.3	-178.7	-65.1	-178.2	28.3	0	0	112.2	R98 N99 T102 D109	R98-Q104 WeakPolarHBondContact CB-O 3.38Å; N99-Q104 PolarHBondContact N-O 2.98Å; N99-Q104 PolarHBondContact O-N 3.32Å; T102-Q104 PolarHBondContact O-N 2.02Å; T102-Q104 WeakPolarHBondContact OG1-CB 3.2Å; T102-Q104 WeakPolarHBondContact OG1-CG 3.49Å; T102-Q104 PolarHBondContact OG1-N 2.89Å; Q104-D109 HydrophobicContact CB-CB 4.1Å
105	P	91.9	Very high	92.2	Very high	73 Å²	73	56.8 Å²	56.8	47%	0.474	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-55.8	148.4	164.1	-24.2	33.7	0	0	0	112.3	D107 S108 D109	P105-D107 PolarHBondContact O-N 3.28Å; P105-S108 WeakPolarHBondContact CD-OG 3.39Å; P105-S108 PolarHBondContact O-N 1.88Å; P105-S108 PolarHBondContact O-OG 3.23Å; P105-D109 PolarHBondContact O-N 3.3Å
106	L	89.1	Confident	92.2	Very high	33 Å²	33	54 Å²	54	17%	0.173	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.6	-178.3	-59.2	177.9	0	0	0	113.3	S108 A112 S113 L116	L106-S108 PolarHBondContact O-N 2.8Å; L106-A112 HydrophobicContact CD2-CB 3.71Å; L106-S113 WeakPolarHBondContact O-CB 3.32Å; L106-L116 HydrophobicContact CD1-CB 4.02Å; L106-L116 HydrophobicContact CD1-CD1 4.22Å; L106-L116 HydrophobicContact CD2-CB 4.43Å; L106-L116 HydrophobicContact CD2-CD1 3.59Å
107	D	85.3	Confident	92.2	Very high	133 Å²	133	54.7 Å²	54.7	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.7	175.8	-68.3	-56.2	0	0	0	114.4	P105 K117	P105-D107 PolarHBondContact O-N 3.28Å; D107-K117 IonicContact OD1-NZ 3.89Å; D107-K117 PolarHBondContact OD1-NZ 2.75Å
108	S	89.7	Confident	92.2	Very high	67 Å²	67	56.1 Å²	56.1	47%	0.469	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-20.8	177	45.7	0	0	0	0	114.1	P105 L106	P105-S108 WeakPolarHBondContact CD-OG 3.39Å; P105-S108 PolarHBondContact O-N 1.88Å; P105-S108 PolarHBondContact O-OG 3.23Å; L106-S108 PolarHBondContact O-N 2.8Å
109	D	91.1	Very high	92.1	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.08	32%	0.315	C	S	.	.			trans	-96.5	100.8	178.5	-173.6	-30.9	0	0	0	109.1	N99 Q104 P105 V111 A112 S113	N99-D109 VanDerWaalsContact CB-OD2 3.25Å; N99-D109 WeakPolarHBondContact CB-OD2 3.16Å; N99-D109 PolarHBondContact ND2-OD2 3.08Å; Q104-D109 HydrophobicContact CB-CB 4.1Å; P105-D109 PolarHBondContact O-N 3.3Å; D109-V111 VanDerWaalsContact C-N 3.27Å; D109-V111 PolarHBondContact O-N 3.35Å; D109-V111 PolarHBondContact OD1-N 3.47Å; D109-A112 HydrophobicContact CB-CB 3.9Å; D109-A112 PolarHBondContact O-N 3Å; D109-A112 PolarHBondContact OD1-N 2.91Å; D109-S113 VanDerWaalsContact O-CB 3.3Å; D109-S113 WeakPolarHBondContact O-CB 3.49Å; D109-S113 PolarHBondContact O-N 3.41Å
110	I	90.6	Very high	91.9	Very high	142 Å²	142	60.4 Å²	60.4	73%	0.728	34%	0.335	S	S	*	.	H	α-helix	trans	-59.2	-39.8	-173.9	-61	174.9	0	0	0	111.1	S113 S114	I110-S113 PolarHBondContact O-N 2.92Å; I110-S113 PolarHBondContact O-OG 2.92Å; I110-S114 PolarHBondContact O-N 3.04Å
111	V	91.8	Very high	91.8	Very high	47 Å²	47	60.8 Å²	60.8	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-49.1	-178.6	-178	0	0	0	0	110.1	D109 S113 S114 F115 F330 R408 D409	D109-V111 VanDerWaalsContact C-N 3.27Å; D109-V111 PolarHBondContact O-N 3.35Å; D109-V111 PolarHBondContact OD1-N 3.47Å; V111-S113 PolarHBondContact O-N 2.98Å; V111-S114 PolarHBondContact O-N 3.12Å; V111-S114 PolarHBondContact O-OG 2.68Å; V111-F115 HydrophobicContact CG1-CE2 4.09Å; V111-F115 VanDerWaalsContact O-CD2 3.27Å; V111-F115 WeakPolarHBondContact O-CD2 3.32Å; V111-F330 HydrophobicContact CG1-CE1 4.24Å; V111-F330 HydrophobicContact CG1-CZ 4.24Å; V111-R408 HydrophobicContact CG1-CG 4.27Å; V111-D409 WeakPolarHBondContact CG1-OD1 3.32Å
112	A	93.3	Very high	91.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-28.7	175.8	0	0	0	0	0	112	N99 L106 D109 L116 F330	N99-A112 HydrophobicContact CB-CB 4.42Å; L106-A112 HydrophobicContact CD2-CB 3.71Å; D109-A112 HydrophobicContact CB-CB 3.9Å; D109-A112 PolarHBondContact O-N 3Å; D109-A112 PolarHBondContact OD1-N 2.91Å; A112-L116 HydrophobicContact CB-CD1 4.45Å; A112-L116 VanDerWaalsContact O-CB 3.24Å; A112-L116 WeakPolarHBondContact O-CB 3.35Å; A112-L116 WeakPolarHBondContact O-CG 3.38Å; A112-L116 PolarHBondContact O-N 2.67Å; A112-L116 VanDerWaalsContact O-N 3.1Å; A112-F330 HydrophobicContact CB-CD1 4.25Å; A112-F330 HydrophobicContact CB-CD2 4.01Å; A112-F330 HydrophobicContact CB-CE1 4.16Å; A112-F330 HydrophobicContact CB-CE2 3.95Å; A112-F330 HydrophobicContact CB-CG 4.19Å; A112-F330 HydrophobicContact CB-CZ 4.03Å
113	S	93.3	Very high	92.1	Very high	34 Å²	34	59.3 Å²	59.3	24%	0.238	32%	0.323	C	S	.	.	H	α-helix	trans	-70	-32.8	177.6	84.8	0	0	0	0	114.4	L106 D109 I110 V111 F115 K117	L106-S113 WeakPolarHBondContact O-CB 3.32Å; D109-S113 VanDerWaalsContact O-CB 3.3Å; D109-S113 WeakPolarHBondContact O-CB 3.49Å; D109-S113 PolarHBondContact O-N 3.41Å; I110-S113 PolarHBondContact O-N 2.92Å; I110-S113 PolarHBondContact O-OG 2.92Å; V111-S113 PolarHBondContact O-N 2.98Å; S113-F115 VanDerWaalsContact C-N 3.34Å; S113-F115 PolarHBondContact O-N 2.87Å; S113-K117 WeakPolarHBondContact O-CB 3.2Å; S113-K117 PolarHBondContact O-N 2.88Å
114	S	93.3	Very high	92.3	Very high	61 Å²	61	55.6 Å²	55.6	43%	0.427	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-27.1	-176	49.9	0	0	0	0	113.6	I110 V111 S319	I110-S114 PolarHBondContact O-N 3.04Å; V111-S114 PolarHBondContact O-N 3.12Å; V111-S114 PolarHBondContact O-OG 2.68Å; S114-S319 WeakPolarHBondContact O-CB 3.4Å
115	F	95.1	Very high	92.5	Very high	12 Å²	12	52.2 Å²	52.2	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-94.5	-41.1	174.8	-55	-84.9	0	0	0	112.4	V111 S113 G124 E318 M322 F330 D409	V111-F115 HydrophobicContact CG1-CE2 4.09Å; V111-F115 VanDerWaalsContact O-CD2 3.27Å; V111-F115 WeakPolarHBondContact O-CD2 3.32Å; S113-F115 VanDerWaalsContact C-N 3.34Å; S113-F115 PolarHBondContact O-N 2.87Å; F115-G124 CarbonylContact O-C 3.52Å; F115-G124 WeakPolarHBondContact O-CA 3.3Å; F115-E318 VanDerWaalsContact CE1-O 3.24Å; F115-E318 WeakPolarHBondContact CE1-O 3.45Å; F115-M322 HydrophobicContact CB-CE 4.45Å; F115-M322 HydrophobicContact CB-SD 4.29Å; F115-F330 HydrophobicContact CD2-CE2 4.41Å; F115-F330 HydrophobicContact CD2-CZ 4.11Å; F115-D409 HydrophobicContact CE2-CB 3.76Å; F115-D409 HydrophobicContact CZ-CB 3.68Å
116	L	95.7	Very high	92.7	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-93.5	-7.8	-166.8	-63.5	172	0	0	0	115.4	A94 L106 A112 G125 M322 V329 F330	A94-L116 HydrophobicContact CB-CD1 3.4Å; A94-L116 VanDerWaalsContact CB-CD1 3.4Å; A94-L116 HydrophobicContact CB-CD2 3.62Å; A94-L116 HydrophobicContact CB-CG 4.14Å; L106-L116 HydrophobicContact CD1-CB 4.02Å; L106-L116 HydrophobicContact CD1-CD1 4.22Å; L106-L116 HydrophobicContact CD2-CB 4.43Å; L106-L116 HydrophobicContact CD2-CD1 3.59Å; A112-L116 HydrophobicContact CB-CD1 4.45Å; A112-L116 VanDerWaalsContact O-CB 3.24Å; A112-L116 WeakPolarHBondContact O-CB 3.35Å; A112-L116 WeakPolarHBondContact O-CG 3.38Å; A112-L116 PolarHBondContact O-N 2.67Å; A112-L116 VanDerWaalsContact O-N 3.1Å; L116-G125 PolarHBondContact O-N 3.04Å; L116-M322 HydrophobicContact CD2-CE 3.8Å; L116-V329 HydrophobicContact CD1-CG2 4.13Å; L116-V329 HydrophobicContact CD2-CG2 3.85Å; L116-V329 HydrophobicContact CG-CG2 4.36Å; L116-F330 HydrophobicContact CD1-CD2 3.78Å; L116-F330 HydrophobicContact CD1-CE2 4.11Å; L116-F330 HydrophobicContact CG-CE2 4.47Å
117	K	93.5	Very high	93.2	Very high	104 Å²	104	50.1 Å²	50.1	45%	0.452	28%	0.275	S	S	.	.			trans	-104.4	120.3	-174.3	-164.9	166.5	178.8	169	0	112.5	D107 S113	D107-K117 IonicContact OD1-NZ 3.89Å; D107-K117 PolarHBondContact OD1-NZ 2.75Å; S113-K117 WeakPolarHBondContact O-CB 3.2Å; S113-K117 PolarHBondContact O-N 2.88Å
118	S	92.9	Very high	93.8	Very high	73 Å²	73	45.3 Å²	45.3	51%	0.51	25%	0.247	S	C	.	.			trans	-68.9	139.2	171.8	58.3	0	0	0	0	111.4	R122 I123	S118-R122 WeakPolarHBondContact CA-O 2.97Å; S118-I123 WeakPolarHBondContact CB-O 3.5Å
119	D	90.7	Very high	94.2	Very high	98 Å²	98	42.1 Å²	42.1	52%	0.524	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-143.5	-162.8	177.1	-155.3	-23.6	0	0	0	110.3	N121 R122 S304	D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 2.85Å; D119-R122 HydrophobicContact CB-CB 4.12Å; D119-R122 HydrophobicContact CB-CG 4.41Å; D119-R122 PolarHBondContact N-O 2.79Å; D119-S304 PolarHBondContact O-N 2.93Å; D119-S304 PolarHBondContact O-OG 3.45Å
120	K	91.8	Very high	94.5	Very high	108 Å²	108	41.4 Å²	41.4	47%	0.47	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.2	174.4	71.1	179	-174.2	157.7	0	112.3	C303 S304 D305	K120-C303 WeakPolarHBondContact O-CB 3.41Å; K120-S304 VanDerWaalsContact CA-OG 3.28Å; K120-S304 WeakPolarHBondContact CA-OG 3.16Å; K120-S304 PolarHBondContact N-OG 3.22Å; K120-D305 HydrophobicContact CB-CB 4.22Å; K120-D305 CarbonylContact O-C 3.6Å; K120-D305 VanDerWaalsContact O-C 3.31Å; K120-D305 PolarHBondContact O-N 2.84Å; K120-D305 VanDerWaalsContact O-O 3.04Å
121	N	91.3	Very high	94.9	Very high	26 Å²	26	35.4 Å²	35.4	14%	0.139	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	34.9	-171	68.7	-42.2	0	0	0	112.1	D119 V309 F316	D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 2.85Å; N121-V309 HydrophobicContact CB-CG2 3.98Å; N121-F316 WeakPolarHBondContact O-CD2 3.38Å
122	R	94.1	Very high	95.2	Very high	42 Å²	42	33.1 Å²	33.1	16%	0.158	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-144.9	132.6	178.9	-65.4	-63.3	-175.1	-96.6	0.8	109.7	S118 D119 C303 D313 T315 S319	S118-R122 WeakPolarHBondContact CA-O 2.97Å; D119-R122 HydrophobicContact CB-CB 4.12Å; D119-R122 HydrophobicContact CB-CG 4.41Å; D119-R122 PolarHBondContact N-O 2.79Å; R122-C303 VanDerWaalsContact C-SG 3.52Å; R122-D313 IonicContact CZ-OD2 2.76Å; R122-D313 IonicContact NH1-OD2 2.82Å; R122-D313 PolarHBondContact NH1-OD2 2.96Å; R122-D313 IonicContact NH2-OD2 3.85Å; R122-T315 VanDerWaalsContact CZ-C 3.48Å; R122-T315 PolarHBondContact NE-O 3.27Å; R122-T315 VanDerWaalsContact NH2-CB 3.32Å; R122-T315 PolarHBondContact NH2-O 3.13Å; R122-T315 PolarHBondContact NH2-OG1 3.33Å; R122-S319 WeakPolarHBondContact CD-OG 3.48Å
123	I	96.6	Very high	95.4	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.185	C	C	.	.			trans	-75.1	-44	-177.9	-65.9	164	0	0	0	110.6	S118 I126 Y127 L295 N298 I299 Y302 F316	S118-I123 WeakPolarHBondContact CB-O 3.5Å; I123-I126 WeakPolarHBondContact CG2-O 3.48Å; I123-Y127 HydrophobicContact CB-CE1 3.91Å; I123-Y127 HydrophobicContact CD1-CD1 4.39Å; I123-Y127 HydrophobicContact CD1-CE1 3.69Å; I123-Y127 HydrophobicContact CG1-CE1 4.4Å; I123-Y127 HydrophobicContact CG2-CD1 3.8Å; I123-Y127 HydrophobicContact CG2-CD2 4.45Å; I123-Y127 HydrophobicContact CG2-CE1 3.46Å; I123-Y127 VanDerWaalsContact CG2-CE1 3.46Å; I123-Y127 HydrophobicContact CG2-CE2 4.19Å; I123-Y127 HydrophobicContact CG2-CG 4.28Å; I123-L295 HydrophobicContact CD1-CD1 4.15Å; I123-N298 HydrophobicContact CD1-CB 3.97Å; I123-N298 HydrophobicContact CG2-CB 4.37Å; I123-I299 HydrophobicContact CD1-CG1 4.11Å; I123-I299 HydrophobicContact CG1-CG1 4.49Å; I123-Y302 HydrophobicContact CG2-CD2 3.89Å; I123-Y302 HydrophobicContact CG2-CG 4.25Å; I123-F316 HydrophobicContact CD1-CE2 4.29Å; I123-F316 HydrophobicContact CD1-CZ 4.22Å; I123-F316 HydrophobicContact CG1-CE2 4.42Å
124	G	95.6	Very high	95.5	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.031	18%	0.183	C	C	.	.			trans	80.8	-167.7	-176	0	0	0	0	0	112.8	F115 I126 Y127	F115-G124 CarbonylContact O-C 3.52Å; F115-G124 WeakPolarHBondContact O-CA 3.3Å; G124-I126 PolarHBondContact O-N 3.35Å; G124-Y127 WeakPolarHBondContact O-CE2 3.33Å
125	G	95.3	Very high	95.7	Very high	8 Å²	8	32.7 Å²	32.7	8%	0.082	16%	0.163	C	C	.	.	S	Bend	trans	-74.6	12.9	-164.1	0	0	0	0	0	118	N92 Y93 L116	N92-G125 WeakPolarHBondContact CA-O 3.49Å; N92-G125 PolarHBondContact OD1-O 2.93Å; Y93-G125 PolarHBondContact N-O 3.08Å; L116-G125 PolarHBondContact O-N 3.04Å
126	I	97.8	Very high	95.6	Very high	63 Å²	63	37.9 Å²	37.9	32%	0.323	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.4	-176.7	-52.8	-177.7	0	0	0	109.9	W91 N92 I123 G124 Y302	W91-I126 VanDerWaalsContact O-CA 3.32Å; W91-I126 WeakPolarHBondContact O-CA 3.35Å; W91-I126 WeakPolarHBondContact O-CG2 3.13Å; N92-I126 HydrophobicContact CB-CG1 4.18Å; I123-I126 WeakPolarHBondContact CG2-O 3.48Å; G124-I126 PolarHBondContact O-N 3.35Å; I126-Y302 HydrophobicContact CB-CE1 4.23Å; I126-Y302 HydrophobicContact CG2-CE1 3.96Å; I126-Y302 WeakPolarHBondContact O-CD2 3.07Å; I126-Y302 WeakPolarHBondContact O-CE2 3.38Å
127	Y	98.3	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.4	-177.7	-67.3	-100.3	0	0	0	110.5	W91 Y93 I123 G124 E289 N298 N320 M322	W91-Y127 PolarHBondContact N-O 2.75Å; W91-Y127 PolarHBondContact O-N 2.93Å; Y93-Y127 AromaticContact CD2-CD2 3.77Å; Y93-Y127 HydrophobicContact CD2-CD2 3.77Å; Y93-Y127 HydrophobicContact CD2-CE2 4.21Å; Y93-Y127 AromaticContact CE2-CD2 3.55Å; Y93-Y127 HydrophobicContact CE2-CD2 3.55Å; Y93-Y127 HydrophobicContact CE2-CE2 4.13Å; Y93-Y127 HydrophobicContact CE2-CG 4.24Å; I123-Y127 HydrophobicContact CB-CE1 3.91Å; I123-Y127 HydrophobicContact CD1-CD1 4.39Å; I123-Y127 HydrophobicContact CD1-CE1 3.69Å; I123-Y127 HydrophobicContact CG1-CE1 4.4Å; I123-Y127 HydrophobicContact CG2-CD1 3.8Å; I123-Y127 HydrophobicContact CG2-CD2 4.45Å; I123-Y127 HydrophobicContact CG2-CE1 3.46Å; I123-Y127 VanDerWaalsContact CG2-CE1 3.46Å; I123-Y127 HydrophobicContact CG2-CE2 4.19Å; I123-Y127 HydrophobicContact CG2-CG 4.28Å; G124-Y127 WeakPolarHBondContact O-CE2 3.33Å; Y127-E289 WeakPolarHBondContact CB-OE1 2.95Å; Y127-E289 HydrophobicContact CD1-CB 3.59Å; Y127-E289 HydrophobicContact CD1-CG 3.5Å; Y127-E289 HydrophobicContact CD2-CG 4.22Å; Y127-E289 HydrophobicContact CE1-CB 3.41Å; Y127-E289 VanDerWaalsContact CE1-CB 3.41Å; Y127-E289 HydrophobicContact CE1-CG 3.65Å; Y127-E289 HydrophobicContact CE2-CG 4.33Å; Y127-E289 HydrophobicContact CG-CB 4.41Å; Y127-E289 HydrophobicContact CG-CG 3.83Å; Y127-N298 HydrophobicContact CD1-CB 4.31Å; Y127-N320 WeakPolarHBondContact OH-CA 3.43Å; Y127-N320 PolarHBondContact OH-OD1 2.92Å; Y127-N320 VanDerWaalsContact OH-OD1 3.11Å; Y127-M322 HydrophobicContact CE2-CG 4.3Å; Y127-M322 HydrophobicContact CE2-SD 4.28Å
128	K	98.1	Very high	95.5	Very high	32 Å²	32	40.9 Å²	40.9	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.2	161.3	-173.5	-168.8	173.6	-150.1	0	108.2	D88 V89 H294 E297 N298	D88-K128 WeakPolarHBondContact OD2-CE 3.34Å; D88-K128 IonicContact OD2-NZ 2.71Å; D88-K128 PolarHBondContact OD2-NZ 2.78Å; V89-K128 WeakPolarHBondContact O-CA 3.47Å; K128-H294 HydrophobicContact CB-CB 4.16Å; K128-H294 HydrophobicContact CD-CB 4.16Å; K128-H294 WeakPolarHBondContact CE-ND1 3.42Å; K128-H294 HydrophobicContact CG-CB 4.37Å; K128-H294 PolarHBondContact NZ-CE1 2.88Å; K128-H294 PolarHBondContact NZ-ND1 3.1Å; K128-H294 PolarHBondContact O-CD2 3.3Å; K128-E297 HydrophobicContact CD-CB 4.5Å; K128-E297 WeakPolarHBondContact CD-OE2 3.34Å; K128-E297 WeakPolarHBondContact CE-OE2 3.34Å; K128-E297 IonicContact NZ-OE1 3.66Å; K128-E297 PolarHBondContact NZ-OE1 2.8Å; K128-E297 VanDerWaalsContact NZ-OE1 3.08Å; K128-E297 IonicContact NZ-OE2 3.49Å; K128-E297 PolarHBondContact NZ-OE2 3.27Å; K128-N298 WeakPolarHBondContact CB-OD1 3.38Å; K128-N298 PolarHBondContact N-OD1 3.36Å; K128-N298 PolarHBondContact O-ND2 2.79Å
129	K	97.5	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.5	179.3	-62.9	-158.4	78.4	68.7	0	110	D88 V89 W91 Y93 F152 A250 T251 E289	D88-K129 CarbonylContact C-O 3.53Å; D88-K129 WeakPolarHBondContact CA-O 3.4Å; V89-K129 HydrophobicContact CG2-CB 4.32Å; V89-K129 PolarHBondContact N-O 2.69Å; V89-K129 PolarHBondContact O-N 2.86Å; W91-K129 HydrophobicContact CB-CB 4.28Å; W91-K129 HydrophobicContact CB-CD 3.69Å; W91-K129 HydrophobicContact CB-CG 3.79Å; W91-K129 HydrophobicContact CG-CD 3.91Å; Y93-K129 PolarHBondContact OH-NZ 2.97Å; K129-F152 HydrophobicContact CD-CD1 4.43Å; K129-A250 PolarHBondContact NZ-O 2.95Å; K129-T251 CarbonylContact C-O 3.56Å; K129-T251 WeakPolarHBondContact CA-O 3.23Å; K129-T251 VanDerWaalsContact CB-O 3.23Å; K129-T251 WeakPolarHBondContact CB-O 3.25Å; K129-T251 WeakPolarHBondContact CE-O 3.3Å; K129-E289 WeakPolarHBondContact CD-OE1 3.4Å; K129-E289 IonicContact NZ-OE1 3.68Å; K129-E289 PolarHBondContact NZ-OE1 2.89Å; K129-E289 IonicContact NZ-OE2 3.93Å; K129-E289 PolarHBondContact NZ-OE2 3.01Å
130	T	98.3	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	168.5	-51.3	0	0	0	0	108.8	I86 Q87 D88 A173 Y177 T251 G252 L253 H294	I86-T130 HydrophobicContact CG2-CG2 3.41Å; I86-T130 VanDerWaalsContact CG2-CG2 3.41Å; Q87-T130 CarbonylContact O-C 3.57Å; Q87-T130 WeakPolarHBondContact O-CA 3.48Å; D88-T130 PolarHBondContact OD1-OG1 3.05Å; T130-A173 HydrophobicContact CG2-CB 3.75Å; T130-Y177 HydrophobicContact CG2-CD2 4.44Å; T130-Y177 HydrophobicContact CG2-CE2 3.94Å; T130-T251 PolarHBondContact N-O 2.7Å; T130-G252 CarbonylContact O-C 3.57Å; T130-G252 VanDerWaalsContact O-CA 3.26Å; T130-G252 WeakPolarHBondContact O-CA 3.29Å; T130-L253 HydrophobicContact CG2-CD1 4.37Å; T130-L253 HydrophobicContact CG2-CD2 4.08Å; T130-L253 HydrophobicContact CG2-CG 4.38Å; T130-L253 PolarHBondContact O-N 3.33Å; T130-H294 PolarHBondContact OG1-NE2 3.41Å
131	I	97.9	Very high	95.8	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.077	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	162.5	-175.1	66.7	166.4	0	0	0	112.3	Q87 V89 K133 F152	Q87-I131 PolarHBondContact N-O 2.81Å; Q87-I131 PolarHBondContact O-N 3.4Å; V89-I131 HydrophobicContact CG1-CD1 3.93Å; V89-I131 HydrophobicContact CG1-CG1 3.91Å; V89-I131 HydrophobicContact CG2-CD1 4.01Å; V89-I131 HydrophobicContact CG2-CG1 3.89Å; V89-I131 HydrophobicContact CG2-CG2 3.91Å; I131-K133 HydrophobicContact CD1-CG 4.31Å; I131-K133 HydrophobicContact CG1-CG 4.46Å; I131-F152 HydrophobicContact CG2-CB 3.98Å; I131-F152 WeakPolarHBondContact CG2-O 3.25Å
132	Y	98.4	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.2	168.1	-63.8	-77.1	0	0	0	111.5	I86 L169 T178 I179 Y239 H240 S241 L253	I86-Y132 HydrophobicContact CD1-CD1 4.36Å; I86-Y132 HydrophobicContact CD1-CE1 3.78Å; I86-Y132 HydrophobicContact CG1-CD1 3.7Å; I86-Y132 HydrophobicContact CG1-CE1 3.65Å; Y132-L169 HydrophobicContact CD1-CD1 4.29Å; Y132-L169 HydrophobicContact CE1-CD1 4.07Å; Y132-T178 PolarHBondContact OH-O 3.2Å; Y132-I179 HydrophobicContact CE1-CB 4.26Å; Y132-I179 HydrophobicContact CE1-CD1 4.36Å; Y132-I179 HydrophobicContact CE1-CG1 4.31Å; Y132-Y239 HydrophobicContact CD1-CE2 4.3Å; Y132-Y239 HydrophobicContact CD2-CD2 4.28Å; Y132-Y239 AromaticContact CD2-CE2 3.54Å; Y132-Y239 HydrophobicContact CD2-CE2 3.54Å; Y132-Y239 HydrophobicContact CE1-CE2 4.41Å; Y132-Y239 AromaticContact CE2-CD2 3.92Å; Y132-Y239 HydrophobicContact CE2-CD2 3.92Å; Y132-Y239 AromaticContact CE2-CE2 3.64Å; Y132-Y239 HydrophobicContact CE2-CE2 3.64Å; Y132-Y239 AromaticContact CG-CE2 3.88Å; Y132-Y239 HydrophobicContact CG-CE2 3.88Å; Y132-H240 PolarHBondContact OH-O 2.94Å; Y132-S241 WeakPolarHBondContact OH-CA 3.37Å; Y132-S241 WeakPolarHBondContact OH-CB 3.26Å; Y132-S241 PolarHBondContact OH-N 2.99Å; Y132-L253 HydrophobicContact CD1-CD2 4.37Å; Y132-L253 HydrophobicContact CD2-CB 4.49Å; Y132-L253 HydrophobicContact CD2-CD2 3.99Å; Y132-L253 HydrophobicContact CE1-CD2 4.29Å; Y132-L253 HydrophobicContact CE2-CB 3.84Å; Y132-L253 HydrophobicContact CE2-CD2 3.94Å; Y132-L253 HydrophobicContact CG-CD2 4.22Å
133	K	97.3	Very high	96	Very high	39 Å²	39	41.6 Å²	41.6	17%	0.17	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.4	169.9	-70.3	-173.1	177.7	-179.4	0	111.9	L84 G85 Q87 I131 Y135 E143	L84-K133 CarbonylContact C-O 3.53Å; L84-K133 WeakPolarHBondContact CA-O 3.48Å; G85-K133 PolarHBondContact N-O 2.87Å; G85-K133 PolarHBondContact O-N 2.03Å; Q87-K133 VanDerWaalsContact OE1-CE 3.31Å; I131-K133 HydrophobicContact CD1-CG 4.31Å; I131-K133 HydrophobicContact CG1-CG 4.46Å; K133-Y135 HydrophobicContact CB-CE2 3.81Å; K133-E143 HydrophobicContact CD-CG 4.44Å; K133-E143 WeakPolarHBondContact CD-OE1 3.42Å; K133-E143 IonicContact NZ-OE1 3.98Å; K133-E143 PolarHBondContact NZ-OE1 3.32Å; K133-E143 IonicContact NZ-OE2 2.67Å; K133-E143 PolarHBondContact NZ-OE2 2.94Å
134	E	96.7	Very high	95.8	Very high	41 Å²	41	43.7 Å²	43.7	19%	0.192	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.3	174.1	-172	-179.7	-173.4	0	0	111.9	Y83 L84 E143 V144 P155	Y83-E134 CarbonylContact O-C 3.53Å; Y83-E134 WeakPolarHBondContact O-CA 3.22Å; L84-E134 HydrophobicContact CD2-CB 4.42Å; E134-E143 WeakPolarHBondContact O-CA 3.18Å; E134-V144 HydrophobicContact CB-CB 3.98Å; E134-V144 HydrophobicContact CB-CG2 4.32Å; E134-V144 HydrophobicContact CG-CB 3.91Å; E134-V144 HydrophobicContact CG-CG2 3.79Å; E134-V144 PolarHBondContact O-N 3.07Å; E134-P155 HydrophobicContact CB-CB 3.8Å; E134-P155 HydrophobicContact CB-CG 3.88Å; E134-P155 HydrophobicContact CG-CB 4.45Å
135	Y	96.6	Very high	95.6	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.2	175.7	-65.1	-91.7	0	0	0	110.5	Y83 Q87 K133 Y140 D142 E143	Y83-Y135 PolarHBondContact O-N 2.91Å; Q87-Y135 VanDerWaalsContact CD-OH 3.25Å; Q87-Y135 PolarHBondContact NE2-OH 2.91Å; Q87-Y135 PolarHBondContact OE1-OH 3.39Å; K133-Y135 HydrophobicContact CB-CE2 3.81Å; Y135-Y140 VanDerWaalsContact CD1-CA 3.49Å; Y135-Y140 AromaticContact CD2-CD1 3.8Å; Y135-Y140 HydrophobicContact CD2-CD1 3.8Å; Y135-Y140 WeakPolarHBondContact CE1-O 3.44Å; Y135-Y140 HydrophobicContact CE2-CD1 4.41Å; Y135-Y140 HydrophobicContact CG-CD1 4.03Å; Y135-Y140 HydrophobicContact CG-CG 4.47Å; Y135-D142 WeakPolarHBondContact CA-O 3.36Å; Y135-E143 HydrophobicContact CD1-CG 3.89Å; Y135-E143 HydrophobicContact CE1-CB 4.36Å; Y135-E143 HydrophobicContact CE1-CG 3.21Å; Y135-E143 PolarHBondContact OH-OE1 2.89Å
136	K	93.5	Very high	95.4	Very high	121 Å²	121	50.9 Å²	50.9	53%	0.526	28%	0.277	S	S	.	.	S	Bend	trans	-72.2	-28	-178.7	-61.9	178.6	-160.9	162.2	0	114.1	D142 V144	K136-D142 HydrophobicContact CB-CB 4.42Å; K136-D142 HydrophobicContact CD-CB 3.72Å; K136-D142 HydrophobicContact CG-CB 4.12Å; K136-D142 PolarHBondContact N-O 2.83Å; K136-D142 IonicContact NZ-OD2 3.98Å; K136-D142 PolarHBondContact NZ-OD2 3.47Å; K136-V144 HydrophobicContact CG-CG2 3.89Å
137	D	93.4	Very high	95.2	Very high	63 Å²	63	50.7 Å²	50.7	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-158	178.4	-172.6	60.9	37.6	0	0	0	112.5	S139 Y140	D137-S139 PolarHBondContact O-N 2.84Å; D137-S139 VanDerWaalsContact O-N 3.13Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 2.84Å; D137-S139 PolarHBondContact OD1-OG 3.12Å; D137-Y140 PolarHBondContact O-N 3.24Å
138	D	92.8	Very high	95	Very high	119 Å²	119	54.2 Å²	54.2	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.4	-178.6	70.1	-22.7	0	0	0	114.8	Y83 Y140	Y83-D138 HydrophobicContact CD1-CB 4.15Å; Y83-D138 HydrophobicContact CE1-CB 3.75Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 WeakPolarHBondContact O-CD2 3.37Å; D138-Y140 WeakPolarHBondContact O-CE2 3.38Å
139	S	94.1	Very high	94.9	Very high	52 Å²	52	54.7 Å²	54.7	36%	0.364	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.5	169.6	77.9	0	0	0	0	112.4	D137 T141	D137-S139 PolarHBondContact O-N 2.84Å; D137-S139 VanDerWaalsContact O-N 3.13Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 2.84Å; D137-S139 PolarHBondContact OD1-OG 3.12Å; S139-T141 PolarHBondContact O-N 3.38Å; S139-T141 PolarHBondContact OG-N 2.85Å; S139-T141 PolarHBondContact OG-OG1 2.77Å
140	Y	94.7	Very high	94.8	Very high	29 Å²	29	54.8 Å²	54.8	11%	0.114	31%	0.31	C	S	.	.			trans	52.3	36.2	-170	-53.2	-100	0	0	0	113.3	Y135 D137 D138 H168 K170 F172	Y135-Y140 VanDerWaalsContact CD1-CA 3.49Å; Y135-Y140 AromaticContact CD2-CD1 3.8Å; Y135-Y140 HydrophobicContact CD2-CD1 3.8Å; Y135-Y140 WeakPolarHBondContact CE1-O 3.44Å; Y135-Y140 HydrophobicContact CE2-CD1 4.41Å; Y135-Y140 HydrophobicContact CG-CD1 4.03Å; Y135-Y140 HydrophobicContact CG-CG 4.47Å; D137-Y140 PolarHBondContact O-N 3.24Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 WeakPolarHBondContact O-CD2 3.37Å; D138-Y140 WeakPolarHBondContact O-CE2 3.38Å; Y140-H168 WeakPolarHBondContact OH-CB 3.47Å; Y140-H168 PolarHBondContact OH-O 3.44Å; Y140-K170 HydrophobicContact CD1-CB 4.12Å; Y140-K170 HydrophobicContact CD1-CD 4.27Å; Y140-K170 HydrophobicContact CD2-CD 3.61Å; Y140-K170 HydrophobicContact CE1-CB 3.52Å; Y140-K170 HydrophobicContact CE1-CD 4.19Å; Y140-K170 HydrophobicContact CE2-CB 4.15Å; Y140-K170 HydrophobicContact CE2-CD 3.54Å; Y140-K170 HydrophobicContact CG-CD 4Å; Y140-F172 HydrophobicContact CD1-CE2 4.04Å; Y140-F172 HydrophobicContact CD1-CZ 4.08Å; Y140-F172 HydrophobicContact CG-CE2 4.3Å; Y140-F172 AromaticContact CG-CZ 3.87Å; Y140-F172 HydrophobicContact CG-CZ 3.87Å
141	T	93.6	Very high	94.7	Very high	106 Å²	106	55.5 Å²	55.5	65%	0.65	32%	0.318	S	S	*	.			trans	-101.8	-40.1	178.6	59.5	0	0	0	0	113.7	S139	S139-T141 PolarHBondContact O-N 3.38Å; S139-T141 PolarHBondContact OG-N 2.85Å; S139-T141 PolarHBondContact OG-OG1 2.77Å
142	D	94.6	Very high	94.6	Very high	83 Å²	83	54.9 Å²	54.9	44%	0.444	32%	0.315	S	S	.	.	S	Bend	trans	-98.3	104.8	-179.7	-99.2	13.2	0	0	0	110.7	Y135 K136	Y135-D142 WeakPolarHBondContact CA-O 3.36Å; K136-D142 HydrophobicContact CB-CB 4.42Å; K136-D142 HydrophobicContact CD-CB 3.72Å; K136-D142 HydrophobicContact CG-CB 4.12Å; K136-D142 PolarHBondContact N-O 2.83Å; K136-D142 IonicContact NZ-OD2 3.98Å; K136-D142 PolarHBondContact NZ-OD2 3.47Å
143	E	94.1	Very high	94.6	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.43	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-68.9	143.8	173.1	-70.9	-179.7	-173.7	0	0	111.8	K133 E134 Y135	K133-E143 HydrophobicContact CD-CG 4.44Å; K133-E143 WeakPolarHBondContact CD-OE1 3.42Å; K133-E143 IonicContact NZ-OE1 3.98Å; K133-E143 PolarHBondContact NZ-OE1 3.32Å; K133-E143 IonicContact NZ-OE2 2.67Å; K133-E143 PolarHBondContact NZ-OE2 2.94Å; E134-E143 WeakPolarHBondContact O-CA 3.18Å; Y135-E143 HydrophobicContact CD1-CG 3.89Å; Y135-E143 HydrophobicContact CE1-CB 4.36Å; Y135-E143 HydrophobicContact CE1-CG 3.21Å; Y135-E143 PolarHBondContact OH-OE1 2.89Å
144	V	93.8	Very high	94.6	Very high	46 Å²	46	53 Å²	53	28%	0.279	31%	0.307	S	S	.	.			trans	-88.7	130.1	172.3	-179.7	0	0	0	0	109.2	E134 K136 Q146	E134-V144 HydrophobicContact CB-CB 3.98Å; E134-V144 HydrophobicContact CB-CG2 4.32Å; E134-V144 HydrophobicContact CG-CB 3.91Å; E134-V144 HydrophobicContact CG-CG2 3.79Å; E134-V144 PolarHBondContact O-N 3.07Å; K136-V144 HydrophobicContact CG-CG2 3.89Å; V144-Q146 PolarHBondContact O-N 2.93Å
145	A	91.5	Very high	94.6	Very high	101 Å²	101	51.1 Å²	51.1	84%	0.835	30%	0.298	S	S	*	.			trans	-77.7	107.4	-174.9	0	0	0	0	0	111.7
146	Q	90.9	Very high	94.5	Very high	61 Å²	61	52.3 Å²	52.3	29%	0.285	31%	0.306	S	S	.	.			trans	-75.6	155.9	176.4	-68.8	167.6	-22.1	0	0	112.7	V144 L150	V144-Q146 PolarHBondContact O-N 2.93Å; Q146-L150 HydrophobicContact CB-CD2 4.17Å; Q146-L150 HydrophobicContact CG-CD2 4.19Å
147	P	92.9	Very high	94.7	Very high	60 Å²	60	46.5 Å²	46.5	39%	0.39	28%	0.281	S	S	.	.			trans	-65.1	132.7	171	-17.8	31.5	0	0	0	111.5	W149 L150	P147-W149 HydrophobicContact CB-CD2 4.02Å; P147-W149 VanDerWaalsContact CB-CE2 3.47Å; P147-W149 HydrophobicContact CB-CG 4.35Å; P147-W149 HydrophobicContact CB-CH2 4.41Å; P147-W149 HydrophobicContact CB-CZ2 3.71Å; P147-W149 HydrophobicContact CG-CH2 4.34Å; P147-W149 HydrophobicContact CG-CZ2 3.85Å; P147-W149 PolarHBondContact O-N 2.91Å; P147-L150 WeakPolarHBondContact O-CB 3.46Å; P147-L150 PolarHBondContact O-N 3.01Å
148	A	94.4	Very high	94.7	Very high	73 Å²	73	44.4 Å²	44.4	60%	0.603	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.6	-23.7	-175.6	0	0	0	0	0	114.8	L150 P334	A148-L150 VanDerWaalsContact C-N 3.28Å; A148-P334 HydrophobicContact CB-CB 4.13Å; A148-P334 HydrophobicContact CB-CG 4.12Å; A148-P334 WeakPolarHBondContact O-CG 3.45Å
149	W	95.4	Very high	94.7	Very high	42 Å²	42	38.8 Å²	38.8	16%	0.159	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-74.9	-13.9	175	54.9	-108.5	0	0	0	113.7	P147 G151 F280 F281 N326 L333 L336	P147-W149 HydrophobicContact CB-CD2 4.02Å; P147-W149 VanDerWaalsContact CB-CE2 3.47Å; P147-W149 HydrophobicContact CB-CG 4.35Å; P147-W149 HydrophobicContact CB-CH2 4.41Å; P147-W149 HydrophobicContact CB-CZ2 3.71Å; P147-W149 HydrophobicContact CG-CH2 4.34Å; P147-W149 HydrophobicContact CG-CZ2 3.85Å; P147-W149 PolarHBondContact O-N 2.91Å; W149-G151 PolarHBondContact O-N 3.05Å; W149-F280 HydrophobicContact CD2-CD1 4.12Å; W149-F280 AromaticContact CE2-CD1 3.77Å; W149-F280 HydrophobicContact CE3-CD1 4.47Å; W149-F280 HydrophobicContact CH2-CD1 4.33Å; W149-F280 AromaticContact CZ2-CD1 3.9Å; W149-F280 HydrophobicContact CZ2-CD1 3.9Å; W149-F280 HydrophobicContact CZ2-CE1 4.34Å; W149-F280 AromaticContact NE1-CE1 3.88Å; W149-F281 AromaticContact CH2-CD2 3.96Å; W149-F281 HydrophobicContact CH2-CD2 3.96Å; W149-F281 HydrophobicContact CZ3-CB 4.19Å; W149-F281 HydrophobicContact CZ3-CD2 4.1Å; W149-N326 PolarHBondContact O-ND2 3.11Å; W149-L333 WeakPolarHBondContact O-CD1 3.26Å; W149-L336 HydrophobicContact CB-CD2 3.76Å; W149-L336 HydrophobicContact CD2-CD2 4.09Å; W149-L336 HydrophobicContact CE3-CD2 4.49Å; W149-L336 HydrophobicContact CG-CD2 3.76Å
150	L	95.9	Very high	94.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-68.7	-22.8	177.6	-169.2	61.5	0	0	0	111.7	Q146 P147 A148 L153 V156 P256 F281	Q146-L150 HydrophobicContact CB-CD2 4.17Å; Q146-L150 HydrophobicContact CG-CD2 4.19Å; P147-L150 WeakPolarHBondContact O-CB 3.46Å; P147-L150 PolarHBondContact O-N 3.01Å; A148-L150 VanDerWaalsContact C-N 3.28Å; L150-L153 HydrophobicContact CD1-CB 4.05Å; L150-L153 HydrophobicContact CD1-CD1 4.09Å; L150-L153 HydrophobicContact CG-CB 4.06Å; L150-L153 VanDerWaalsContact O-CB 3.29Å; L150-L153 WeakPolarHBondContact O-CB 3.21Å; L150-L153 WeakPolarHBondContact O-CG 3.48Å; L150-L153 PolarHBondContact O-N 3.22Å; L150-V156 HydrophobicContact CD1-CG2 4.27Å; L150-V156 HydrophobicContact CD2-CG2 4.32Å; L150-P256 HydrophobicContact CD1-CG 4.36Å; L150-F281 HydrophobicContact CD1-CB 4.23Å
151	G	96.1	Very high	94.8	Very high	16 Å²	16	36.5 Å²	36.5	17%	0.165	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-130.6	170	0	0	0	0	0	113.4	W149 L153 N326	W149-G151 PolarHBondContact O-N 3.05Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-N326 WeakPolarHBondContact CA-O 3.48Å
152	F	96	Very high	94.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.1	171.8	69.1	-122.7	0	0	0	113.6	W91 K129 I131 I254 L283 V287 N326	W91-F152 HydrophobicContact CD2-CB 4.03Å; W91-F152 HydrophobicContact CD2-CD1 4.38Å; W91-F152 AromaticContact CE2-CD1 4Å; W91-F152 HydrophobicContact CE3-CB 3.97Å; W91-F152 HydrophobicContact CH2-CB 4.35Å; W91-F152 HydrophobicContact CZ2-CB 4.39Å; W91-F152 HydrophobicContact CZ2-CD1 4.41Å; W91-F152 HydrophobicContact CZ3-CB 4.13Å; W91-F152 AromaticContact NE1-CD1 3.91Å; K129-F152 HydrophobicContact CD-CD1 4.43Å; I131-F152 HydrophobicContact CG2-CB 3.98Å; I131-F152 WeakPolarHBondContact CG2-O 3.25Å; F152-I254 HydrophobicContact CE2-CG2 3.97Å; F152-L283 HydrophobicContact CE2-CD2 4.24Å; F152-L283 HydrophobicContact CZ-CD2 4.22Å; F152-V287 HydrophobicContact CE1-CG2 4.11Å; F152-V287 HydrophobicContact CZ-CG1 4.45Å; F152-V287 HydrophobicContact CZ-CG2 3.96Å; F152-N326 PolarHBondContact N-O 3.21Å
153	L	97.9	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-60.8	146.6	-175.9	-62.2	176.3	0	0	0	111.6	L150 G151 I254 L283 N326 F349	L150-L153 HydrophobicContact CD1-CB 4.05Å; L150-L153 HydrophobicContact CD1-CD1 4.09Å; L150-L153 HydrophobicContact CG-CB 4.06Å; L150-L153 VanDerWaalsContact O-CB 3.29Å; L150-L153 WeakPolarHBondContact O-CB 3.21Å; L150-L153 WeakPolarHBondContact O-CG 3.48Å; L150-L153 PolarHBondContact O-N 3.22Å; G151-L153 VanDerWaalsContact C-N 3.34Å; L153-I254 WeakPolarHBondContact CA-O 3.23Å; L153-I254 HydrophobicContact CD2-CG2 3.92Å; L153-L283 HydrophobicContact CD1-CB 4.2Å; L153-L283 HydrophobicContact CD2-CB 3.93Å; L153-L283 HydrophobicContact CD2-CD2 3.75Å; L153-L283 HydrophobicContact CD2-CG 4.48Å; L153-N326 HydrophobicContact CD1-CB 4.49Å; L153-N326 WeakPolarHBondContact CD1-OD1 3.27Å; L153-F349 HydrophobicContact CD1-CZ 3.85Å; L153-F349 HydrophobicContact CD2-CE2 4.34Å; L153-F349 HydrophobicContact CD2-CZ 4.21Å
154	G	97.4	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-58.6	163.9	171.1	0	0	0	0	0	113.9	Y239 I254 P256	G154-Y239 WeakPolarHBondContact CA-OH 3.04Å; G154-I254 PolarHBondContact N-O 3.27Å; G154-P256 VanDerWaalsContact O-CD 3.24Å; G154-P256 WeakPolarHBondContact O-CD 3.39Å
155	P	96.7	Very high	94.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-57.1	149.8	176.2	26.9	-38.3	0	0	0	113.1	L84 E134 L157 Y239	L84-P155 HydrophobicContact CD2-CG 3.45Å; L84-P155 VanDerWaalsContact CD2-CG 3.45Å; E134-P155 HydrophobicContact CB-CB 3.8Å; E134-P155 HydrophobicContact CB-CG 3.88Å; E134-P155 HydrophobicContact CG-CB 4.45Å; P155-L157 PolarHBondContact O-N 3.42Å; P155-Y239 WeakPolarHBondContact CD-OH 3.13Å; P155-Y239 WeakPolarHBondContact CG-OH 3.03Å; P155-Y239 PolarHBondContact O-OH 2.68Å
156	V	95.8	Very high	95.2	Very high	29 Å²	29	22 Å²	22	18%	0.176	14%	0.138	C	C	.	.			trans	-75.1	108.1	179.8	-170.4	0	0	0	0	110.3	L150 Q158 P256 F281	L150-V156 HydrophobicContact CD1-CG2 4.27Å; L150-V156 HydrophobicContact CD2-CG2 4.32Å; V156-Q158 HydrophobicContact CG1-CG 3.94Å; V156-P256 HydrophobicContact CB-CG 4.37Å; V156-P256 HydrophobicContact CG1-CG 4.41Å; V156-P256 HydrophobicContact CG2-CG 3.97Å; V156-F281 HydrophobicContact CB-CE2 4.45Å; V156-F281 HydrophobicContact CG1-CD2 4.41Å; V156-F281 HydrophobicContact CG1-CE1 3.9Å; V156-F281 HydrophobicContact CG1-CE2 3.7Å; V156-F281 HydrophobicContact CG1-CZ 3.41Å; V156-F281 VanDerWaalsContact CG1-CZ 3.41Å; V156-F281 HydrophobicContact CG2-CD2 3.9Å; V156-F281 HydrophobicContact CG2-CE2 3.87Å; V156-F281 HydrophobicContact CG2-CG 4.45Å; V156-F281 HydrophobicContact CG2-CZ 4.38Å
157	L	95.7	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.1	173.3	-59.3	-178.7	0	0	0	109.9	Y82 P155 I167 W219 Y239 P256 L257 I258	Y82-L157 HydrophobicContact CD1-CD2 3.54Å; Y82-L157 HydrophobicContact CD2-CD2 3.84Å; Y82-L157 HydrophobicContact CE1-CD2 3.74Å; Y82-L157 HydrophobicContact CE2-CD2 4.03Å; Y82-L157 HydrophobicContact CG-CD2 3.58Å; P155-L157 PolarHBondContact O-N 3.42Å; L157-I167 HydrophobicContact CD1-CD1 3.78Å; L157-W219 HydrophobicContact CD1-CH2 4.41Å; L157-W219 HydrophobicContact CD1-CZ3 3.87Å; L157-Y239 HydrophobicContact CB-CE1 4.49Å; L157-Y239 HydrophobicContact CD1-CD1 3.57Å; L157-Y239 HydrophobicContact CD1-CE1 3.49Å; L157-Y239 VanDerWaalsContact CD1-CE1 3.49Å; L157-Y239 HydrophobicContact CD1-CG 4.26Å; L157-Y239 HydrophobicContact CG-CD1 4.13Å; L157-Y239 HydrophobicContact CG-CE1 3.64Å; L157-P256 PolarHBondContact N-O 2.93Å; L157-L257 HydrophobicContact CB-CB 4.39Å; L157-L257 HydrophobicContact CB-CD1 3.63Å; L157-L257 CarbonylContact O-C 3.57Å; L157-L257 WeakPolarHBondContact O-CA 3.45Å; L157-I258 PolarHBondContact O-N 3.12Å
158	Q	94	Very high	95.8	Very high	19 Å²	19	18.3 Å²	18.3	9%	0.089	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.3	-173.8	-49.1	-163.6	-16.2	0	0	112	R80 Y82 V156 I258 L265 P271	R80-Q158 WeakPolarHBondContact CD-O 3.28Å; Y82-Q158 PolarHBondContact OH-N 3.34Å; Y82-Q158 PolarHBondContact OH-O 2.77Å; V156-Q158 HydrophobicContact CG1-CG 3.94Å; Q158-I258 HydrophobicContact CB-CD1 4.3Å; Q158-I258 HydrophobicContact CB-CG1 3.94Å; Q158-I258 HydrophobicContact CG-CD1 3.9Å; Q158-I258 HydrophobicContact CG-CG1 3.77Å; Q158-L265 HydrophobicContact CB-CD1 4.07Å; Q158-P271 HydrophobicContact CB-CG 4.22Å; Q158-P271 PolarHBondContact OE1-O 3.46Å
159	A	93.7	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.5	174.6	0	0	0	0	0	113.4	D163 I165 I221 I258 C260	A159-D163 HydrophobicContact CB-CB 4.04Å; A159-I165 HydrophobicContact CB-CD1 3.74Å; A159-I165 HydrophobicContact CB-CG1 3.67Å; A159-I221 HydrophobicContact CB-CD1 3.5Å; A159-I221 VanDerWaalsContact CB-CD1 3.5Å; A159-I258 PolarHBondContact N-O 2.79Å; A159-C260 WeakPolarHBondContact O-CB 3.41Å; A159-C260 PolarHBondContact O-N 2.63Å
160	E	95	Very high	96.1	Very high	26 Å²	26	15.5 Å²	15.5	12%	0.121	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	162.7	176.8	-58.2	-166.6	156.5	0	0	113.1	G162 D163 C260 G263 A264 L265	E160-G162 PolarHBondContact O-N 3.11Å; E160-G162 VanDerWaalsContact O-N 3.17Å; E160-D163 PolarHBondContact N-OD2 2.97Å; E160-D163 VanDerWaalsContact O-CB 3.23Å; E160-D163 WeakPolarHBondContact O-CB 3.34Å; E160-D163 PolarHBondContact O-N 2.83Å; E160-C260 CarbonylContact C-O 3.58Å; E160-C260 VanDerWaalsContact CA-O 3.24Å; E160-C260 WeakPolarHBondContact CA-O 3.36Å; E160-C260 HydrophobicContact CG-CB 4.23Å; E160-G263 VanDerWaalsContact OE1-C 3.31Å; E160-G263 VanDerWaalsContact OE1-CA 3.28Å; E160-G263 WeakPolarHBondContact OE1-CA 3.33Å; E160-G263 PolarHBondContact OE1-N 3.27Å; E160-G263 PolarHBondContact OE2-N 3.26Å; E160-A264 PolarHBondContact OE1-N 2.93Å; E160-L265 HydrophobicContact CG-CB 4.21Å; E160-L265 HydrophobicContact CG-CD1 3.97Å; E160-L265 HydrophobicContact CG-CG 4.06Å; E160-L265 WeakPolarHBondContact OE1-CB 3.38Å; E160-L265 PolarHBondContact OE1-N 3.17Å
161	V	94.6	Very high	96.2	Very high	8 Å²	8	15.4 Å²	15.4	5%	0.048	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	120.5	172.8	-174.6	0	0	0	0	111.7	I221 E223 A226 C260 R262	V161-I221 HydrophobicContact CB-CG2 4.4Å; V161-I221 HydrophobicContact CG2-CG2 4.2Å; V161-E223 HydrophobicContact CG1-CG 4.45Å; V161-E223 WeakPolarHBondContact CG1-OE1 3.31Å; V161-A226 HydrophobicContact CB-CB 4.36Å; V161-A226 HydrophobicContact CG1-CB 3.88Å; V161-A226 HydrophobicContact CG2-CB 3.47Å; V161-A226 VanDerWaalsContact CG2-CB 3.47Å; V161-C260 WeakPolarHBondContact CG2-O 3.49Å; V161-C260 PolarHBondContact N-O 2.9Å; V161-R262 HydrophobicContact CB-CG 3.93Å; V161-R262 WeakPolarHBondContact O-CG 3.37Å; V161-R262 PolarHBondContact O-NE 2.67Å
162	G	92.9	Very high	96.3	Very high	30 Å²	30	18.7 Å²	18.7	31%	0.309	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	-13.9	-176.1	0	0	0	0	0	114.5	G77 E160 I221	G77-G162 WeakPolarHBondContact CA-O 3.49Å; E160-G162 PolarHBondContact O-N 3.11Å; E160-G162 VanDerWaalsContact O-N 3.17Å; G162-I221 PolarHBondContact N-O 2.95Å
163	D	94.5	Very high	96.3	Very high	9 Å²	9	18.9 Å²	18.9	5%	0.048	10%	0.102	C	C	.	.			trans	-71.1	161.5	177.4	-70.3	-12.5	0	0	0	112.5	A78 R80 A159 E160 I221	A78-D163 PolarHBondContact N-OD1 3.11Å; A78-D163 WeakPolarHBondContact O-CA 2.98Å; A78-D163 WeakPolarHBondContact O-CB 3.45Å; R80-D163 IonicContact CZ-OD2 2.84Å; R80-D163 IonicContact NE-OD2 3.54Å; R80-D163 PolarHBondContact NE-OD2 3.16Å; R80-D163 IonicContact NH2-OD2 3.77Å; R80-D163 PolarHBondContact NH2-OD2 2.68Å; A159-D163 HydrophobicContact CB-CB 4.04Å; E160-D163 PolarHBondContact N-OD2 2.97Å; E160-D163 VanDerWaalsContact O-CB 3.23Å; E160-D163 WeakPolarHBondContact O-CB 3.34Å; E160-D163 PolarHBondContact O-N 2.83Å; D163-I221 PolarHBondContact O-N 2.77Å
164	V	95.5	Very high	96.1	Very high	39 Å²	39	23.1 Å²	23.1	24%	0.236	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.6	174.1	-178.3	0	0	0	0	108.4	A78 T79 R80 L166 N218 W219 T220	A78-V164 PolarHBondContact O-N 3.26Å; T79-V164 CarbonylContact C-O 3.51Å; T79-V164 WeakPolarHBondContact CA-O 3.22Å; T79-V164 HydrophobicContact CG2-CB 4.48Å; R80-V164 PolarHBondContact N-O 2.93Å; V164-L166 HydrophobicContact CG1-CD2 4.08Å; V164-L166 HydrophobicContact CG1-CG 4.26Å; V164-N218 VanDerWaalsContact CG1-OD1 3.29Å; V164-N218 WeakPolarHBondContact CG1-OD1 3.45Å; V164-W219 CarbonylContact C-O 3.54Å; V164-W219 WeakPolarHBondContact CA-O 3.36Å; V164-T220 HydrophobicContact CG1-CG2 4.31Å; V164-T220 HydrophobicContact CG2-CG2 4.17Å
165	I	96.2	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.2	174.4	-50.9	172.9	0	0	0	107.6	Y82 A159 I167 W219 L257	Y82-I165 HydrophobicContact CD2-CG2 3.9Å; Y82-I165 HydrophobicContact CE2-CG2 4.08Å; A159-I165 HydrophobicContact CB-CD1 3.74Å; A159-I165 HydrophobicContact CB-CG1 3.67Å; I165-I167 HydrophobicContact CG2-CD1 3.82Å; I165-I167 HydrophobicContact CG2-CG1 3.94Å; I165-W219 HydrophobicContact CB-CB 4.3Å; I165-W219 HydrophobicContact CD1-CE3 4.35Å; I165-W219 HydrophobicContact CG2-CE3 4.31Å; I165-W219 PolarHBondContact N-O 3.19Å; I165-W219 PolarHBondContact O-N 3.49Å; I165-L257 HydrophobicContact CD1-CD1 4.02Å
166	L	97.4	Very high	95.9	Very high	46 Å²	46	27.9 Å²	27.9	24%	0.241	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.7	171.2	-63.5	-178.2	0	0	0	109.2	T79 R80 V81 Y82 V164 Y217 N218	T79-L166 HydrophobicContact CG2-CD1 3.53Å; T79-L166 HydrophobicContact CG2-CG 3.85Å; R80-L166 PolarHBondContact O-N 3.13Å; V81-L166 WeakPolarHBondContact CA-O 3.2Å; V81-L166 HydrophobicContact CG2-CB 4.45Å; Y82-L166 PolarHBondContact N-O 3.04Å; V164-L166 HydrophobicContact CG1-CD2 4.08Å; V164-L166 HydrophobicContact CG1-CG 4.26Å; L166-Y217 WeakPolarHBondContact CA-O 3.36Å; L166-N218 HydrophobicContact CD2-CB 3.92Å; L166-N218 WeakPolarHBondContact CD2-OD1 3.23Å
167	I	98	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112	178.8	-71.9	152.1	0	0	0	109.1	Y82 L84 L157 I165 L169 I179 I216 Y217 W219	Y82-I167 WeakPolarHBondContact O-CA 3.36Å; L84-I167 HydrophobicContact CB-CG2 4.34Å; L84-I167 HydrophobicContact CD1-CG2 3.71Å; L84-I167 HydrophobicContact CG-CG2 3.99Å; L157-I167 HydrophobicContact CD1-CD1 3.78Å; I165-I167 HydrophobicContact CG2-CD1 3.82Å; I165-I167 HydrophobicContact CG2-CG1 3.94Å; I167-L169 HydrophobicContact CG2-CB 4.36Å; I167-L169 PolarHBondContact O-N 3.13Å; I167-I179 HydrophobicContact CD1-CD1 4.39Å; I167-I179 HydrophobicContact CG2-CD1 4.38Å; I167-I179 HydrophobicContact CG2-CG2 4.34Å; I167-I216 VanDerWaalsContact O-CA 3.31Å; I167-I216 WeakPolarHBondContact O-CA 3.45Å; I167-Y217 PolarHBondContact N-O 2.78Å; I167-Y217 PolarHBondContact O-N 3.47Å; I167-W219 HydrophobicContact CD1-CD2 4.05Å; I167-W219 HydrophobicContact CD1-CE3 3.52Å; I167-W219 HydrophobicContact CD1-CH2 3.29Å; I167-W219 HydrophobicContact CD1-CZ2 3.85Å; I167-W219 HydrophobicContact CD1-CZ3 3.11Å
168	H	98.2	Very high	96.1	Very high	42 Å²	42	26.5 Å²	26.5	19%	0.194	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	97.6	166.3	-63.9	-96.2	0	0	0	107.7	Y82 Y83 L84 Y140	Y82-H168 PolarHBondContact O-N 2.95Å; Y83-H168 HydrophobicContact CD1-CB 3.52Å; Y83-H168 AromaticContact CD1-CD2 3.85Å; Y83-H168 AromaticContact CD1-CG 3.75Å; Y83-H168 HydrophobicContact CE1-CB 3.88Å; Y83-H168 AromaticContact CE1-CD2 3.36Å; Y83-H168 WeakPolarHBondContact CE1-CD2 3.33Å; Y83-H168 AromaticContact CE1-CG 3.54Å; Y83-H168 AromaticContact CE1-NE2 3.88Å; Y83-H168 HydrophobicContact CG-CB 4.42Å; Y83-H168 AromaticContact CZ-CD2 3.92Å; L84-H168 PolarHBondContact N-O 2.97Å; Y140-H168 WeakPolarHBondContact OH-CB 3.47Å; Y140-H168 PolarHBondContact OH-O 3.44Å
169	L	98.4	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138	176.3	-170.7	69.3	0	0	0	109.7	L84 I86 Y132 I167 I179 V209 S214 H215 Y217	L84-L169 HydrophobicContact CB-CD1 3.8Å; L84-L169 CarbonylContact O-C 3.49Å; L84-L169 WeakPolarHBondContact O-CA 3.41Å; I86-L169 HydrophobicContact CD1-CD1 4.05Å; I86-L169 HydrophobicContact CD1-CD2 4.08Å; I86-L169 HydrophobicContact CD1-CG 4.34Å; I86-L169 HydrophobicContact CG1-CD1 4Å; Y132-L169 HydrophobicContact CD1-CD1 4.29Å; Y132-L169 HydrophobicContact CE1-CD1 4.07Å; I167-L169 HydrophobicContact CG2-CB 4.36Å; I167-L169 PolarHBondContact O-N 3.13Å; L169-I179 HydrophobicContact CD1-CB 4.49Å; L169-I179 HydrophobicContact CD1-CG2 4.44Å; L169-I179 HydrophobicContact CD2-CB 4.09Å; L169-I179 HydrophobicContact CD2-CG2 3.86Å; L169-V209 HydrophobicContact CD2-CG2 4.17Å; L169-S214 CarbonylContact O-C 3.54Å; L169-S214 WeakPolarHBondContact O-CA 3.47Å; L169-S214 WeakPolarHBondContact O-CB 3.43Å; L169-H215 PolarHBondContact N-O 2.84Å; L169-H215 PolarHBondContact O-N 3.44Å; L169-Y217 HydrophobicContact CB-CD2 4.02Å; L169-Y217 HydrophobicContact CB-CE2 3.66Å; L169-Y217 HydrophobicContact CD2-CE2 3.62Å; L169-Y217 HydrophobicContact CG-CE2 4.28Å
170	K	98.1	Very high	96.5	Very high	57 Å²	57	25.6 Å²	25.6	25%	0.248	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.7	171.3	-174.2	169.2	175.1	-175.9	0	111.3	L84 G85 I86 Y140 F172 G213	L84-K170 PolarHBondContact O-N 2.93Å; G85-K170 WeakPolarHBondContact CA-O 3.5Å; I86-K170 PolarHBondContact N-O 2.92Å; Y140-K170 HydrophobicContact CD1-CB 4.12Å; Y140-K170 HydrophobicContact CD1-CD 4.27Å; Y140-K170 HydrophobicContact CD2-CD 3.61Å; Y140-K170 HydrophobicContact CE1-CB 3.52Å; Y140-K170 HydrophobicContact CE1-CD 4.19Å; Y140-K170 HydrophobicContact CE2-CB 4.15Å; Y140-K170 HydrophobicContact CE2-CD 3.54Å; Y140-K170 HydrophobicContact CG-CD 4Å; K170-F172 HydrophobicContact CB-CE2 4.04Å; K170-F172 HydrophobicContact CB-CZ 4.34Å; K170-F172 HydrophobicContact CD-CE1 3.99Å; K170-F172 HydrophobicContact CD-CE2 4.06Å; K170-F172 HydrophobicContact CD-CZ 3.51Å; K170-F172 HydrophobicContact CG-CD2 4.44Å; K170-F172 HydrophobicContact CG-CE1 4.29Å; K170-F172 HydrophobicContact CG-CE2 3.88Å; K170-F172 HydrophobicContact CG-CZ 3.8Å; K170-G213 WeakPolarHBondContact CA-O 3.41Å
171	N	98.1	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.9	-177.7	-171.7	-2.6	0	0	0	110.9	A173 R175 V209 G212 G213	N171-A173 WeakPolarHBondContact OD1-CB 3.33Å; N171-A173 PolarHBondContact OD1-N 2.96Å; N171-R175 PolarHBondContact ND2-O 3.41Å; N171-V209 HydrophobicContact CB-CG1 4.05Å; N171-V209 PolarHBondContact ND2-O 3.16Å; N171-G212 VanDerWaalsContact O-CA 3.23Å; N171-G212 WeakPolarHBondContact O-CA 3.41Å; N171-G212 PolarHBondContact O-N 2.83Å; N171-G213 PolarHBondContact N-O 2.93Å
172	F	97.7	Very high	96.7	Very high	85 Å²	85	24.1 Å²	24.1	37%	0.373	13%	0.131	S	C	.	.			trans	-107.7	-2.9	174	-55.4	-90.5	0	0	0	113.1	I86 Q87 Y140 K170	I86-F172 WeakPolarHBondContact O-CA 3.26Å; I86-F172 VanDerWaalsContact O-CB 3.32Å; I86-F172 WeakPolarHBondContact O-CB 3.46Å; I86-F172 PolarHBondContact O-N 3.48Å; Q87-F172 HydrophobicContact CG-CB 4.22Å; Q87-F172 HydrophobicContact CG-CD2 4.11Å; Q87-F172 HydrophobicContact CG-CG 4.47Å; Y140-F172 HydrophobicContact CD1-CE2 4.04Å; Y140-F172 HydrophobicContact CD1-CZ 4.08Å; Y140-F172 HydrophobicContact CG-CE2 4.3Å; Y140-F172 AromaticContact CG-CZ 3.87Å; Y140-F172 HydrophobicContact CG-CZ 3.87Å; K170-F172 HydrophobicContact CB-CE2 4.04Å; K170-F172 HydrophobicContact CB-CZ 4.34Å; K170-F172 HydrophobicContact CD-CE1 3.99Å; K170-F172 HydrophobicContact CD-CE2 4.06Å; K170-F172 HydrophobicContact CD-CZ 3.51Å; K170-F172 HydrophobicContact CG-CD2 4.44Å; K170-F172 HydrophobicContact CG-CE1 4.29Å; K170-F172 HydrophobicContact CG-CE2 3.88Å; K170-F172 HydrophobicContact CG-CZ 3.8Å
173	A	96.2	Very high	96.8	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	12%	0.118	C	C	.	.	S	Bend	trans	-78.8	173.6	178.5	0	0	0	0	0	112	I86 D88 T130 N171 R175 Y177 P211	I86-A173 HydrophobicContact CG2-CB 3.97Å; I86-A173 PolarHBondContact O-N 3.1Å; D88-A173 WeakPolarHBondContact OD1-CB 3.34Å; T130-A173 HydrophobicContact CG2-CB 3.75Å; N171-A173 WeakPolarHBondContact OD1-CB 3.33Å; N171-A173 PolarHBondContact OD1-N 2.96Å; A173-R175 VanDerWaalsContact C-N 3.35Å; A173-Y177 HydrophobicContact CB-CD2 4.09Å; A173-Y177 HydrophobicContact CB-CE2 3.78Å; A173-P211 WeakPolarHBondContact O-CB 3.47Å
174	T	93.1	Very high	96.8	Very high	88 Å²	88	22.6 Å²	22.6	54%	0.54	12%	0.117	S	C	.	.	S	Bend	trans	-79.6	-12.5	-175.6	56	0	0	0	0	114.6	P211	T174-P211 WeakPolarHBondContact O-CG 3.45Å
175	R	94.3	Very high	96.8	Very high	59 Å²	59	22.5 Å²	22.5	22%	0.223	11%	0.113	C	C	.	.	S	Bend	trans	-124.1	156.6	-175.4	-62.8	-173	72.7	-93.6	0.5	112	N171 A173 Y177 W293	N171-R175 PolarHBondContact ND2-O 3.41Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-Y177 HydrophobicContact CB-CE2 3.95Å; R175-Y177 WeakPolarHBondContact O-CD2 3.29Å; R175-W293 VanDerWaalsContact NH2-CE2 3.35Å; R175-W293 VanDerWaalsContact NH2-CZ3 3.35Å
176	P	96.2	Very high	96.7	Very high	43 Å²	43	22.6 Å²	22.6	28%	0.279	11%	0.114	S	C	.	.			trans	-65.2	144.5	168.3	29.3	-35.4	0	0	0	111.3	S208 V209	P176-S208 WeakPolarHBondContact CB-OG 3.24Å; P176-V209 WeakPolarHBondContact CA-O 3.48Å
177	Y	97.8	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-152.9	171.7	-180	-68	-59.4	0	0	0	109.5	I86 T130 A173 R175 V209 D248 L253 W293	I86-Y177 HydrophobicContact CG2-CD2 3.79Å; I86-Y177 HydrophobicContact CG2-CE2 4.42Å; I86-Y177 HydrophobicContact CG2-CG 4.49Å; T130-Y177 HydrophobicContact CG2-CD2 4.44Å; T130-Y177 HydrophobicContact CG2-CE2 3.94Å; A173-Y177 HydrophobicContact CB-CD2 4.09Å; A173-Y177 HydrophobicContact CB-CE2 3.78Å; R175-Y177 HydrophobicContact CB-CE2 3.95Å; R175-Y177 WeakPolarHBondContact O-CD2 3.29Å; Y177-V209 PolarHBondContact N-O 3.04Å; Y177-V209 WeakPolarHBondContact O-CA 3.49Å; Y177-V209 WeakPolarHBondContact O-CB 3.47Å; Y177-V209 PolarHBondContact O-N 3.03Å; Y177-D248 WeakPolarHBondContact CE1-OD1 3.22Å; Y177-L253 HydrophobicContact CD1-CD1 3.35Å; Y177-L253 HydrophobicContact CD2-CD1 3.85Å; Y177-L253 HydrophobicContact CE1-CD1 3.7Å; Y177-L253 HydrophobicContact CE2-CD1 4.13Å; Y177-L253 HydrophobicContact CG-CD1 3.43Å; Y177-L253 VanDerWaalsContact CG-CD1 3.43Å; Y177-W293 AromaticContact CE1-CD1 3.82Å
178	T	97.9	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.			trans	-135.5	-168.1	-179.2	64.6	0	0	0	0	112.7	Y132 G192 D206 D207 S241 H242 V243	Y132-T178 PolarHBondContact OH-O 3.2Å; T178-G192 WeakPolarHBondContact CB-O 3.43Å; T178-G192 PolarHBondContact OG1-O 3.36Å; T178-D206 WeakPolarHBondContact CG2-O 3.36Å; T178-D207 WeakPolarHBondContact CG2-O 3.25Å; T178-S241 PolarHBondContact N-OG 2.86Å; T178-H242 PolarHBondContact OG1-N 2.77Å; T178-V243 HydrophobicContact CG2-CG2 3.79Å
179	I	98.2	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.			trans	-140.7	124.9	158	-169.3	176	0	0	0	109.4	L84 Y132 I167 L169 Y217 W219 Y239 H240	L84-I179 HydrophobicContact CD1-CD1 3.55Å; Y132-I179 HydrophobicContact CE1-CB 4.26Å; Y132-I179 HydrophobicContact CE1-CD1 4.36Å; Y132-I179 HydrophobicContact CE1-CG1 4.31Å; I167-I179 HydrophobicContact CD1-CD1 4.39Å; I167-I179 HydrophobicContact CG2-CD1 4.38Å; I167-I179 HydrophobicContact CG2-CG2 4.34Å; L169-I179 HydrophobicContact CD1-CB 4.49Å; L169-I179 HydrophobicContact CD1-CG2 4.44Å; L169-I179 HydrophobicContact CD2-CB 4.09Å; L169-I179 HydrophobicContact CD2-CG2 3.86Å; I179-Y217 HydrophobicContact CG2-CD1 3.87Å; I179-Y217 HydrophobicContact CG2-CD2 3.51Å; I179-Y217 HydrophobicContact CG2-CE1 3.84Å; I179-Y217 HydrophobicContact CG2-CE2 3.51Å; I179-Y217 HydrophobicContact CG2-CG 3.72Å; I179-Y217 VanDerWaalsContact O-CE1 3.23Å; I179-Y217 WeakPolarHBondContact O-CE1 3.28Å; I179-W219 HydrophobicContact CD1-CH2 3.8Å; I179-W219 HydrophobicContact CD1-CZ2 4.44Å; I179-W219 HydrophobicContact CG1-CH2 3.88Å; I179-W219 HydrophobicContact CG1-CZ2 4.21Å; I179-W219 HydrophobicContact CG2-CH2 4.45Å; I179-W219 HydrophobicContact CG2-CZ2 4.09Å; I179-Y239 HydrophobicContact CD1-CD2 3.34Å; I179-Y239 HydrophobicContact CD1-CE2 3.56Å; I179-Y239 HydrophobicContact CD1-CG 3.96Å; I179-Y239 HydrophobicContact CG1-CD2 3.47Å; I179-Y239 VanDerWaalsContact CG1-CD2 3.47Å; I179-Y239 HydrophobicContact CG1-CE2 4.12Å; I179-Y239 HydrophobicContact CG1-CG 4.1Å; I179-H240 CarbonylContact C-O 3.5Å; I179-H240 WeakPolarHBondContact CA-O 3.48Å
180	H	98.3	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.4	-176.4	172.6	72	0	0	0	109.8	Y186 E191 Y239 H240 H242 H1057 H1059	H180-Y186 PolarHBondContact CE1-OH 2.69Å; H180-E191 VanDerWaalsContact CA-O 3.31Å; H180-E191 WeakPolarHBondContact CA-O 3.46Å; H180-E191 WeakPolarHBondContact CB-O 3.4Å; H180-E191 PolarHBondContact ND1-O 2.92Å; H180-Y239 CarbonylContact O-C 3.51Å; H180-Y239 WeakPolarHBondContact O-CA 3.5Å; H180-Y239 VanDerWaalsContact O-CB 3.32Å; H180-Y239 WeakPolarHBondContact O-CB 3.39Å; H180-H240 AromaticContact CD2-NE2 3.88Å; H180-H240 PolarHBondContact N-O 3.09Å; H180-H240 PolarHBondContact O-N 2.93Å; H180-H242 HydrophobicContact CB-CB 3.87Å; H180-H242 AromaticContact CD2-CD2 3.72Å; H180-H1057 AromaticContact NE2-NE2 3.8Å; H180-H1059 AromaticContact CE1-CE1 3.44Å; H180-H1059 PolarHBondContact CE1-CE1 2.8Å; H180-H1059 VanDerWaalsContact CE1-CE1 3.44Å; H180-H1059 AromaticContact CE1-ND1 3.45Å; H180-H1059 PolarHBondContact CE1-ND1 2.6Å; H180-H1059 AromaticContact NE2-CE1 3.64Å; H180-H1059 AromaticContact NE2-NE2 3.99Å
181	P	97.7	Very high	96.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.6	-173.2	40.8	-36	0	0	0	115.1	V184 Y186 W219 L257	P181-V184 HydrophobicContact CB-CG2 3.58Å; P181-V184 HydrophobicContact CG-CG2 3.55Å; P181-Y186 HydrophobicContact CG-CD1 3.6Å; P181-Y186 HydrophobicContact CG-CE1 3.79Å; P181-W219 HydrophobicContact CB-CD2 3.96Å; P181-W219 HydrophobicContact CB-CE3 3.82Å; P181-W219 HydrophobicContact CB-CH2 3.6Å; P181-W219 HydrophobicContact CB-CZ2 3.73Å; P181-W219 HydrophobicContact CB-CZ3 3.63Å; P181-W219 HydrophobicContact CG-CD2 3.76Å; P181-W219 VanDerWaalsContact CG-CE2 3.46Å; P181-W219 HydrophobicContact CG-CE3 4.17Å; P181-W219 HydrophobicContact CG-CG 4.24Å; P181-W219 HydrophobicContact CG-CH2 4.09Å; P181-W219 HydrophobicContact CG-CZ2 3.65Å; P181-W219 HydrophobicContact CG-CZ3 4.31Å; P181-L257 HydrophobicContact CB-CD2 4.01Å
182	H	97.2	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-92.8	157.3	164.9	-75.2	-97	0	0	0	112.1	V184 W237 I238 H240 L257 F384 H1057 D1074 H1101	H182-V184 VanDerWaalsContact C-N 3.29Å; H182-V184 PolarHBondContact O-N 3.4Å; H182-V184 VanDerWaalsContact O-N 3.13Å; H182-W237 HydrophobicContact CB-CB 3.94Å; H182-W237 HydrophobicContact CB-CE3 4.41Å; H182-I238 WeakPolarHBondContact CB-O 3.42Å; H182-I238 WeakPolarHBondContact CD2-CG1 3.44Å; H182-I238 PolarHBondContact N-O 3.15Å; H182-H240 AromaticContact NE2-NE2 3.67Å; H182-L257 WeakPolarHBondContact O-CD2 3.44Å; H182-F384 HydrophobicContact CB-CE2 3.89Å; H182-F384 HydrophobicContact CB-CZ 4.09Å; H182-F384 AromaticContact CE1-CZ 3.85Å; H182-F384 AromaticContact CG-CE2 3.71Å; H182-F384 AromaticContact CG-CZ 3.61Å; H182-F384 AromaticContact ND1-CE2 3.44Å; H182-F384 WeakPolarHBondContact ND1-CE2 3.3Å; H182-F384 AromaticContact ND1-CZ 3.52Å; H182-H1057 AromaticContact CE1-CD2 3.6Å; H182-H1057 AromaticContact CE1-CE1 3.42Å; H182-H1057 PolarHBondContact CE1-CE1 3.48Å; H182-H1057 VanDerWaalsContact CE1-CE1 3.42Å; H182-H1057 AromaticContact CE1-CG 3.56Å; H182-H1057 AromaticContact CE1-ND1 3.43Å; H182-H1057 PolarHBondContact CE1-ND1 2.77Å; H182-H1057 AromaticContact CE1-NE2 3.54Å; H182-H1057 AromaticContact ND1-CE1 3.25Å; H182-H1057 PolarHBondContact ND1-CE1 2.9Å; H182-H1057 AromaticContact ND1-ND1 3.45Å; H182-H1057 PolarHBondContact ND1-ND1 2.86Å; H182-H1057 AromaticContact ND1-NE2 3.75Å; H182-D1074 WeakPolarHBondContact CA-OD2 3.12Å; H182-D1074 WeakPolarHBondContact CB-OD2 3.32Å; H182-D1074 IonicContact CG-OD2 3.76Å; H182-D1074 IonicContact ND1-OD1 2.82Å; H182-D1074 IonicContact ND1-OD2 2.64Å; H182-D1074 PolarHBondContact ND1-OD2 2.51Å; H182-D1074 VanDerWaalsContact ND1-OD2 3.11Å; H182-H1101 AromaticContact CE1-NE2 3.87Å; H182-H1101 AromaticContact NE2-NE2 3.52Å
183	G	93.1	Very high	95.9	Very high	4 Å²	4	21.7 Å²	21.7	4%	0.041	11%	0.112	C	C	.	.	S	Bend	trans	67	8.8	168.1	0	0	0	0	0	118.5	D1074	G183-D1074 PolarHBondContact N-OD2 3.15Å
184	V	95	Very high	95.7	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.123	C	C	.	.	S	Bend	trans	-130.8	158.4	-178.3	-61.2	0	0	0	0	112.2	P181 H182 Y186 W219 I221 L257 T259	P181-V184 HydrophobicContact CB-CG2 3.58Å; P181-V184 HydrophobicContact CG-CG2 3.55Å; H182-V184 VanDerWaalsContact C-N 3.29Å; H182-V184 PolarHBondContact O-N 3.4Å; H182-V184 VanDerWaalsContact O-N 3.13Å; V184-Y186 HydrophobicContact CG2-CD1 4.41Å; V184-W219 HydrophobicContact CB-CB 4.41Å; V184-W219 HydrophobicContact CG2-CB 3.93Å; V184-W219 HydrophobicContact CG2-CD2 4.23Å; V184-W219 HydrophobicContact CG2-CE3 4.25Å; V184-W219 HydrophobicContact CG2-CG 4.11Å; V184-I221 HydrophobicContact CG1-CG1 4.14Å; V184-L257 HydrophobicContact CG1-CD2 3.96Å; V184-L257 HydrophobicContact CG2-CD2 4.36Å; V184-T259 HydrophobicContact CG1-CG2 3.63Å
185	F	95.2	Very high	95.7	Very high	37 Å²	37	20 Å²	20	16%	0.162	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.7	176.7	-179.3	-80.2	0	0	0	111	E187 W219 T220 P222 N1092	F185-E187 HydrophobicContact CE1-CG 4.3Å; F185-W219 CarbonylContact O-C 3.56Å; F185-W219 WeakPolarHBondContact O-CA 3.26Å; F185-T220 WeakPolarHBondContact CD1-OG1 3.22Å; F185-T220 PolarHBondContact N-O 2.67Å; F185-T220 PolarHBondContact O-N 3.33Å; F185-T220 PolarHBondContact O-OG1 3.32Å; F185-P222 HydrophobicContact CB-CG 3.65Å; F185-P222 HydrophobicContact CD2-CG 4.36Å; F185-P222 HydrophobicContact CG-CG 4.11Å; F185-N1092 HydrophobicContact CD2-CB 4.35Å; F185-N1092 HydrophobicContact CE2-CB 3.61Å; F185-N1092 HydrophobicContact CZ-CB 4.24Å; F185-N1092 WeakPolarHBondContact CZ-OD1 3.34Å
186	Y	95.3	Very high	95.6	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.4	177.5	54.5	-101.1	0	0	0	110.8	H180 P181 V184 E191 A1060 N1092 W1096	H180-Y186 PolarHBondContact CE1-OH 2.69Å; P181-Y186 HydrophobicContact CG-CD1 3.6Å; P181-Y186 HydrophobicContact CG-CE1 3.79Å; V184-Y186 HydrophobicContact CG2-CD1 4.41Å; Y186-E191 HydrophobicContact CD2-CB 3.61Å; Y186-E191 HydrophobicContact CD2-CG 4.12Å; Y186-E191 HydrophobicContact CE2-CB 3.39Å; Y186-E191 VanDerWaalsContact CE2-CD 3.44Å; Y186-E191 HydrophobicContact CE2-CG 3.36Å; Y186-E191 WeakPolarHBondContact CE2-OE1 3.23Å; Y186-E191 PolarHBondContact OH-OE1 3.07Å; Y186-A1060 HydrophobicContact CD2-CB 4.14Å; Y186-A1060 HydrophobicContact CE1-CB 4.26Å; Y186-A1060 HydrophobicContact CE2-CB 3.46Å; Y186-A1060 VanDerWaalsContact CE2-CB 3.46Å; Y186-A1060 PolarHBondContact OH-N 3.07Å; Y186-N1092 PolarHBondContact O-ND2 2.86Å; Y186-W1096 HydrophobicContact CD2-CZ3 4.25Å; Y186-W1096 HydrophobicContact CE2-CE3 4.44Å; Y186-W1096 HydrophobicContact CE2-CH2 4.39Å; Y186-W1096 AromaticContact CE2-CZ3 3.73Å; Y186-W1096 HydrophobicContact CE2-CZ3 3.73Å
187	E	94.3	Very high	95.4	Very high	122 Å²	122	16.7 Å²	16.7	57%	0.57	8%	0.084	S	C	*	.			trans	-92.7	168.6	170.4	-66.4	-172	-165.3	0	0	110.5	F185 D189 S190	F185-E187 HydrophobicContact CE1-CG 4.3Å; E187-D189 PolarHBondContact O-N 3.3Å; E187-S190 PolarHBondContact O-N 3.41Å
188	K	93.6	Very high	95	Very high	25 Å²	25	20.5 Å²	20.5	11%	0.109	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	17.1	179.8	-77.4	-60.4	-54.4	-179.3	0	115.6	E191 Y195 D197 L203 W1096	K188-E191 VanDerWaalsContact CD-OE2 3.26Å; K188-E191 WeakPolarHBondContact CD-OE2 3.44Å; K188-E191 WeakPolarHBondContact CE-OE2 3.42Å; K188-E191 IonicContact NZ-OE2 3.34Å; K188-E191 PolarHBondContact NZ-OE2 3.3Å; K188-Y195 PolarHBondContact NZ-OH 2.87Å; K188-D197 WeakPolarHBondContact CE-OD2 3.22Å; K188-D197 IonicContact NZ-OD2 3.85Å; K188-D197 PolarHBondContact NZ-OD2 3.29Å; K188-L203 CarbonylContact O-C 3.41Å; K188-L203 WeakPolarHBondContact O-CA 3.44Å; K188-L203 WeakPolarHBondContact O-CB 3.33Å; K188-W1096 HydrophobicContact CD-CE3 3.77Å; K188-W1096 HydrophobicContact CD-CH2 3.62Å; K188-W1096 HydrophobicContact CD-CZ2 4.46Å; K188-W1096 HydrophobicContact CD-CZ3 3.2Å; K188-W1096 HydrophobicContact CG-CH2 3.61Å; K188-W1096 HydrophobicContact CG-CZ2 4.25Å; K188-W1096 HydrophobicContact CG-CZ3 3.78Å
189	D	94.1	Very high	94.6	Very high	62 Å²	62	22 Å²	22	33%	0.332	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	4.5	168.8	74.9	-5.7	0	0	0	112.8	E187 L203 D206 H215	E187-D189 PolarHBondContact O-N 3.3Å; D189-L203 HydrophobicContact CB-CD2 3.99Å; D189-D206 VanDerWaalsContact C-OD2 3.22Å; D189-D206 WeakPolarHBondContact O-CB 3.35Å; D189-H215 PolarHBondContact O-NE2 3.08Å
190	S	96.7	Very high	94.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	16%	0.164	C	C	.	.	S	Bend	trans	-142.6	15.4	-170.3	-64.4	0	0	0	0	112	E187 D206 N218 W219	E187-S190 PolarHBondContact O-N 3.41Å; S190-D206 PolarHBondContact N-OD2 3.45Å; S190-D206 VanDerWaalsContact N-OD2 3.08Å; S190-N218 PolarHBondContact OG-N 3.42Å; S190-W219 PolarHBondContact O-NE1 2.65Å
191	E	97.3	Very high	93.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.191	C	C	.	.			trans	-88	-43.5	-179.3	174.7	160.1	-139.3	0	0	112.6	H180 Y186 K188 Y195 D206 H1059 W1096	H180-E191 VanDerWaalsContact CA-O 3.31Å; H180-E191 WeakPolarHBondContact CA-O 3.46Å; H180-E191 WeakPolarHBondContact CB-O 3.4Å; H180-E191 PolarHBondContact ND1-O 2.92Å; Y186-E191 HydrophobicContact CD2-CB 3.61Å; Y186-E191 HydrophobicContact CD2-CG 4.12Å; Y186-E191 HydrophobicContact CE2-CB 3.39Å; Y186-E191 VanDerWaalsContact CE2-CD 3.44Å; Y186-E191 HydrophobicContact CE2-CG 3.36Å; Y186-E191 WeakPolarHBondContact CE2-OE1 3.23Å; Y186-E191 PolarHBondContact OH-OE1 3.07Å; K188-E191 VanDerWaalsContact CD-OE2 3.26Å; K188-E191 WeakPolarHBondContact CD-OE2 3.44Å; K188-E191 WeakPolarHBondContact CE-OE2 3.42Å; K188-E191 IonicContact NZ-OE2 3.34Å; K188-E191 PolarHBondContact NZ-OE2 3.3Å; E191-Y195 PolarHBondContact OE2-OH 2.84Å; E191-D206 PolarHBondContact N-OD2 2.79Å; E191-H1059 WeakPolarHBondContact OE1-CB 3.26Å; E191-H1059 IonicContact OE1-CE1 3.67Å; E191-H1059 IonicContact OE1-CG 2.66Å; E191-H1059 IonicContact OE1-ND1 3.15Å; E191-H1059 PolarHBondContact OE1-ND1 2.94Å; E191-W1096 WeakPolarHBondContact OE2-CZ3 3.35Å
192	G	96.3	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.223	C	C	.	.			trans	68.1	37	178.9	0	0	0	0	0	115.8	T178 D206	T178-G192 WeakPolarHBondContact CB-O 3.43Å; T178-G192 PolarHBondContact OG1-O 3.36Å; G192-D206 WeakPolarHBondContact CA-O 3.26Å; G192-D206 PolarHBondContact N-OD2 2.85Å
193	S	95.3	Very high	92.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-130.4	112.7	-178.8	178.3	0	0	0	0	110.9	Y195 D207 H242	S193-Y195 WeakPolarHBondContact O-CD1 3.27Å; S193-Y195 PolarHBondContact O-N 3.02Å; S193-Y195 VanDerWaalsContact O-N 3.11Å; S193-D207 PolarHBondContact N-OD1 2.9Å; S193-D207 VanDerWaalsContact O-OD1 3.07Å; S193-H242 PolarHBondContact OG-CD2 2.72Å; S193-H242 PolarHBondContact OG-CE1 2.76Å; S193-H242 VanDerWaalsContact OG-CG 3.28Å; S193-H242 PolarHBondContact OG-ND1 2.98Å; S193-H242 PolarHBondContact OG-NE2 3.49Å
194	L	92.4	Very high	92.8	Very high	55 Å²	55	39.8 Å²	39.8	29%	0.288	25%	0.251	S	S	.	.			trans	-80.7	93.8	-172.9	-175.2	62.7	0	0	0	111.9	D207 H242 V243 W810	L194-D207 HydrophobicContact CB-CB 4.29Å; L194-D207 HydrophobicContact CD1-CB 3.99Å; L194-H242 PolarHBondContact N-O 2.83Å; L194-H242 VanDerWaalsContact N-O 3.1Å; L194-V243 HydrophobicContact CD2-CG1 4.08Å; L194-W810 VanDerWaalsContact O-CE2 3.31Å; L194-W810 PolarHBondContact O-NE1 2.81Å
195	Y	93.6	Very high	92.7	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.012	27%	0.268	C	S	.	.			trans	-139.8	159	172.1	66.7	-84.2	0	0	0	113.1	K188 E191 S193 D197 K204 W810 T1095 W1096 L1097 L1113	K188-Y195 PolarHBondContact NZ-OH 2.87Å; E191-Y195 PolarHBondContact OE2-OH 2.84Å; S193-Y195 WeakPolarHBondContact O-CD1 3.27Å; S193-Y195 PolarHBondContact O-N 3.02Å; S193-Y195 VanDerWaalsContact O-N 3.11Å; Y195-D197 HydrophobicContact CD2-CB 3.95Å; Y195-D197 HydrophobicContact CE2-CB 3.5Å; Y195-D197 PolarHBondContact O-N 3.08Å; Y195-D197 VanDerWaalsContact O-N 3.11Å; Y195-K204 PolarHBondContact O-NZ 3.19Å; Y195-W810 VanDerWaalsContact CB-CE3 3.41Å; Y195-W810 HydrophobicContact CG-CZ3 4.26Å; Y195-T1095 PolarHBondContact OH-O 2.88Å; Y195-W1096 WeakPolarHBondContact OH-CA 3.44Å; Y195-L1097 HydrophobicContact CD1-CB 4.41Å; Y195-L1097 HydrophobicContact CD2-CB 4.46Å; Y195-L1097 HydrophobicContact CE1-CB 4.22Å; Y195-L1097 HydrophobicContact CE2-CB 4.22Å; Y195-L1113 HydrophobicContact CD2-CD2 3.7Å; Y195-L1113 HydrophobicContact CE2-CD2 3.6Å
196	P	92.6	Very high	92.7	Very high	16 Å²	16	40 Å²	40	10%	0.104	26%	0.26	C	S	.	.			trans	-75.5	99	176.5	-7.2	22.8	0	0	0	111.1	W806 E809 W810	P196-W806 HydrophobicContact CB-CG 4.37Å; P196-W806 HydrophobicContact CG-CD2 4.27Å; P196-W806 HydrophobicContact CG-CG 4.1Å; P196-W806 PolarHBondContact O-NE1 2.7Å; P196-E809 HydrophobicContact CB-CB 4.5Å; P196-E809 HydrophobicContact CB-CG 4.19Å; P196-E809 HydrophobicContact CG-CB 4.04Å; P196-E809 HydrophobicContact CG-CG 4.07Å; P196-W810 HydrophobicContact CG-CB 4.05Å
197	D	91.6	Very high	92.6	Very high	17 Å²	17	40 Å²	40	9%	0.091	26%	0.26	C	S	.	.			trans	-109.7	-12	-174.9	55.1	5.1	0	0	0	113.9	K188 Y195 S199 K204	K188-D197 WeakPolarHBondContact CE-OD2 3.22Å; K188-D197 IonicContact NZ-OD2 3.85Å; K188-D197 PolarHBondContact NZ-OD2 3.29Å; Y195-D197 HydrophobicContact CD2-CB 3.95Å; Y195-D197 HydrophobicContact CE2-CB 3.5Å; Y195-D197 PolarHBondContact O-N 3.08Å; Y195-D197 VanDerWaalsContact O-N 3.11Å; D197-S199 WeakPolarHBondContact OD1-CB 3.25Å; D197-S199 PolarHBondContact OD1-N 3.09Å; D197-S199 PolarHBondContact OD1-OG 2.79Å; D197-S199 PolarHBondContact OD2-OG 2.83Å; D197-K204 WeakPolarHBondContact OD1-CE 3.25Å; D197-K204 IonicContact OD1-NZ 3.59Å; D197-K204 PolarHBondContact OD1-NZ 2.68Å; D197-K204 IonicContact OD2-NZ 3.4Å; D197-K204 PolarHBondContact OD2-NZ 3.32Å
198	G	89	Confident	92.6	Very high	81 Å²	81	36.1 Å²	36.1	84%	0.835	25%	0.247	S	C	*	.	S	Bend	trans	85.8	5.7	-171.4	0	0	0	0	0	115
199	S	90.3	Very high	92.8	Very high	30 Å²	30	35.1 Å²	35.1	21%	0.21	24%	0.242	C	C	.	.			trans	-78.4	167.3	172	104.1	0	0	0	0	111	D197 L203 K204	D197-S199 WeakPolarHBondContact OD1-CB 3.25Å; D197-S199 PolarHBondContact OD1-N 3.09Å; D197-S199 PolarHBondContact OD1-OG 2.79Å; D197-S199 PolarHBondContact OD2-OG 2.83Å; S199-L203 PolarHBondContact OG-O 2.92Å; S199-K204 VanDerWaalsContact OG-CD 3.31Å; S199-K204 WeakPolarHBondContact OG-CD 3.3Å; S199-K204 VanDerWaalsContact OG-CE 3.24Å; S199-K204 WeakPolarHBondContact OG-CE 3.2Å; S199-K204 WeakPolarHBondContact OG-CG 3.45Å
200	S	88.9	Confident	92.9	Very high	91 Å²	91	35.7 Å²	35.7	64%	0.636	25%	0.249	S	C	*	.			trans	-163.1	162.9	174.2	57.1	0	0	0	0	113.2
201	G	89.7	Confident	93	Very high	55 Å²	55	38.8 Å²	38.8	57%	0.567	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	73.1	-124.9	173.5	0	0	0	0	0	111.8	L203 K204	G201-L203 PolarHBondContact O-N 2.78Å; G201-K204 PolarHBondContact O-N 3.18Å
202	P	87.5	Confident	92.9	Very high	106 Å²	106	41.6 Å²	41.6	69%	0.688	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.3	-29.7	178.3	-24.6	35.4	0	0	0	114.3	K204 A205	P202-K204 PolarHBondContact O-N 2.88Å; P202-A205 WeakPolarHBondContact O-CB 3.33Å; P202-A205 PolarHBondContact O-N 3.5Å
203	L	89.3	Confident	92.9	Very high	76 Å²	76	42.5 Å²	42.5	40%	0.398	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-76.9	20	179.4	-53.3	-179	0	0	0	113.8	K188 D189 S199 G201	K188-L203 CarbonylContact O-C 3.41Å; K188-L203 WeakPolarHBondContact O-CA 3.44Å; K188-L203 WeakPolarHBondContact O-CB 3.33Å; D189-L203 HydrophobicContact CB-CD2 3.99Å; S199-L203 PolarHBondContact OG-O 2.92Å; G201-L203 PolarHBondContact O-N 2.78Å
204	K	91.8	Very high	93	Very high	53 Å²	53	46.4 Å²	46.4	23%	0.23	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-140.3	14.7	176.9	-74.1	-54.5	-164.2	-167.3	0	111.7	Y195 D197 S199 G201 P202 D207	Y195-K204 PolarHBondContact O-NZ 3.19Å; D197-K204 WeakPolarHBondContact OD1-CE 3.25Å; D197-K204 IonicContact OD1-NZ 3.59Å; D197-K204 PolarHBondContact OD1-NZ 2.68Å; D197-K204 IonicContact OD2-NZ 3.4Å; D197-K204 PolarHBondContact OD2-NZ 3.32Å; S199-K204 VanDerWaalsContact OG-CD 3.31Å; S199-K204 WeakPolarHBondContact OG-CD 3.3Å; S199-K204 VanDerWaalsContact OG-CE 3.24Å; S199-K204 WeakPolarHBondContact OG-CE 3.2Å; S199-K204 WeakPolarHBondContact OG-CG 3.45Å; G201-K204 PolarHBondContact O-N 3.18Å; P202-K204 PolarHBondContact O-N 2.88Å; K204-D207 HydrophobicContact CD-CB 4.3Å; K204-D207 WeakPolarHBondContact CD-OD2 3.25Å; K204-D207 WeakPolarHBondContact CE-OD2 3.4Å; K204-D207 IonicContact NZ-OD2 2.93Å; K204-D207 PolarHBondContact NZ-OD2 2.87Å
205	A	92.6	Very high	93.2	Very high	45 Å²	45	45.6 Å²	45.6	37%	0.372	33%	0.33	S	S	.	.	S	Bend	trans	-87.7	-24.7	-178.7	0	0	0	0	0	112.7	P202	P202-A205 WeakPolarHBondContact O-CB 3.33Å; P202-A205 PolarHBondContact O-N 3.5Å
206	D	94.5	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	-76.2	-38.7	170.7	52.7	-38.8	0	0	0	112.9	T178 D189 S190 E191 G192 S208 Y217	T178-D206 WeakPolarHBondContact CG2-O 3.36Å; D189-D206 VanDerWaalsContact C-OD2 3.22Å; D189-D206 WeakPolarHBondContact O-CB 3.35Å; S190-D206 PolarHBondContact N-OD2 3.45Å; S190-D206 VanDerWaalsContact N-OD2 3.08Å; E191-D206 PolarHBondContact N-OD2 2.79Å; G192-D206 WeakPolarHBondContact CA-O 3.26Å; G192-D206 PolarHBondContact N-OD2 2.85Å; D206-S208 PolarHBondContact O-N 2.91Å; D206-Y217 HydrophobicContact CB-CD1 4.19Å; D206-Y217 HydrophobicContact CB-CE1 3.57Å; D206-Y217 PolarHBondContact O-OH 3.04Å
207	D	94.1	Very high	93.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	35%	0.346	C	S	.	.	S	Bend	trans	-65.4	-14	-176.1	-74.6	-1.7	0	0	0	114.9	T178 S193 L194 K204	T178-D207 WeakPolarHBondContact CG2-O 3.25Å; S193-D207 PolarHBondContact N-OD1 2.9Å; S193-D207 VanDerWaalsContact O-OD1 3.07Å; L194-D207 HydrophobicContact CB-CB 4.29Å; L194-D207 HydrophobicContact CD1-CB 3.99Å; K204-D207 HydrophobicContact CD-CB 4.3Å; K204-D207 WeakPolarHBondContact CD-OD2 3.25Å; K204-D207 WeakPolarHBondContact CE-OD2 3.4Å; K204-D207 IonicContact NZ-OD2 2.93Å; K204-D207 PolarHBondContact NZ-OD2 2.87Å
208	S	94.3	Very high	93.9	Very high	42 Å²	42	51.2 Å²	51.2	29%	0.294	36%	0.358	S	S	.	.			trans	-159.4	97.2	173.9	-150.4	0	0	0	0	112	P176 D206 P210	P176-S208 WeakPolarHBondContact CB-OG 3.24Å; D206-S208 PolarHBondContact O-N 2.91Å; S208-P210 VanDerWaalsContact O-CD 3.25Å; S208-P210 WeakPolarHBondContact O-CD 3.2Å
209	V	96.9	Very high	94.3	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-86	109.3	176.1	-173.6	0	0	0	0	108.9	L169 N171 P176 Y177 H215 Y217	L169-V209 HydrophobicContact CD2-CG2 4.17Å; N171-V209 HydrophobicContact CB-CG1 4.05Å; N171-V209 PolarHBondContact ND2-O 3.16Å; P176-V209 WeakPolarHBondContact CA-O 3.48Å; Y177-V209 PolarHBondContact N-O 3.04Å; Y177-V209 WeakPolarHBondContact O-CA 3.49Å; Y177-V209 WeakPolarHBondContact O-CB 3.47Å; Y177-V209 PolarHBondContact O-N 3.03Å; V209-H215 HydrophobicContact CG2-CB 3.76Å; V209-Y217 HydrophobicContact CG2-CE2 4.48Å; V209-Y217 VanDerWaalsContact CG2-OH 3.3Å; V209-Y217 WeakPolarHBondContact CG2-OH 3.28Å
210	P	96.6	Very high	94.6	Very high	74 Å²	74	47.7 Å²	47.7	48%	0.481	32%	0.319	S	S	.	.			trans	-72.3	163.1	-173.7	31.4	-37.1	0	0	0	112.2	S208 G212 G213	S208-P210 VanDerWaalsContact O-CD 3.25Å; S208-P210 WeakPolarHBondContact O-CD 3.2Å; P210-G212 PolarHBondContact O-N 2.98Å; P210-G213 WeakPolarHBondContact O-CA 3.23Å; P210-G213 PolarHBondContact O-N 2.88Å
211	P	97.7	Very high	94.8	Very high	67 Å²	67	43.4 Å²	43.4	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	126	173.4	-31.2	38.4	0	0	0	113.2	A173 T174 G213	A173-P211 WeakPolarHBondContact O-CB 3.47Å; T174-P211 WeakPolarHBondContact O-CG 3.45Å; P211-G213 PolarHBondContact O-N 2.9Å
212	G	96.3	Very high	95	Very high	59 Å²	59	42.8 Å²	42.8	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-6.4	-174.7	0	0	0	0	0	115.2	N171 P210	N171-G212 VanDerWaalsContact O-CA 3.23Å; N171-G212 WeakPolarHBondContact O-CA 3.41Å; N171-G212 PolarHBondContact O-N 2.83Å; P210-G212 PolarHBondContact O-N 2.98Å
213	G	96.5	Very high	95	Very high	18 Å²	18	43.3 Å²	43.3	19%	0.186	27%	0.268	C	S	.	.			trans	-80.1	171.7	176.6	0	0	0	0	0	113.7	K170 N171 P210 P211	K170-G213 WeakPolarHBondContact CA-O 3.41Å; N171-G213 PolarHBondContact N-O 2.93Å; P210-G213 WeakPolarHBondContact O-CA 3.23Å; P210-G213 PolarHBondContact O-N 2.88Å; P211-G213 PolarHBondContact O-N 2.9Å
214	S	96.8	Very high	94.9	Very high	83 Å²	83	41.8 Å²	41.8	58%	0.58	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.6	142.6	178.4	57.7	0	0	0	0	111.2	L169	L169-S214 CarbonylContact O-C 3.54Å; L169-S214 WeakPolarHBondContact O-CA 3.47Å; L169-S214 WeakPolarHBondContact O-CB 3.43Å
215	H	97.2	Very high	94.8	Very high	38 Å²	38	39.4 Å²	39.4	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.3	173.7	-170.9	54.9	0	0	0	110.7	L169 D189 V209 Y217	L169-H215 PolarHBondContact N-O 2.84Å; L169-H215 PolarHBondContact O-N 3.44Å; D189-H215 PolarHBondContact O-NE2 3.08Å; V209-H215 HydrophobicContact CG2-CB 3.76Å; H215-Y217 HydrophobicContact CB-CD2 4.46Å; H215-Y217 HydrophobicContact CB-CE2 3.84Å; H215-Y217 AromaticContact CD2-CD2 3.8Å; H215-Y217 AromaticContact CD2-CE2 3.61Å; H215-Y217 AromaticContact CD2-CZ 3.73Å
216	I	97.6	Very high	94.7	Very high	88 Å²	88	37.7 Å²	37.7	45%	0.451	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111	175.3	-56	175.5	0	0	0	108.3	I167	I167-I216 VanDerWaalsContact O-CA 3.31Å; I167-I216 WeakPolarHBondContact O-CA 3.45Å
217	Y	98.1	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136	177.7	-59.9	-105.3	0	0	0	109.3	L166 I167 L169 I179 D206 V209 H215	L166-Y217 WeakPolarHBondContact CA-O 3.36Å; I167-Y217 PolarHBondContact N-O 2.78Å; I167-Y217 PolarHBondContact O-N 3.47Å; L169-Y217 HydrophobicContact CB-CD2 4.02Å; L169-Y217 HydrophobicContact CB-CE2 3.66Å; L169-Y217 HydrophobicContact CD2-CE2 3.62Å; L169-Y217 HydrophobicContact CG-CE2 4.28Å; I179-Y217 HydrophobicContact CG2-CD1 3.87Å; I179-Y217 HydrophobicContact CG2-CD2 3.51Å; I179-Y217 HydrophobicContact CG2-CE1 3.84Å; I179-Y217 HydrophobicContact CG2-CE2 3.51Å; I179-Y217 HydrophobicContact CG2-CG 3.72Å; I179-Y217 VanDerWaalsContact O-CE1 3.23Å; I179-Y217 WeakPolarHBondContact O-CE1 3.28Å; D206-Y217 HydrophobicContact CB-CD1 4.19Å; D206-Y217 HydrophobicContact CB-CE1 3.57Å; D206-Y217 PolarHBondContact O-OH 3.04Å; V209-Y217 HydrophobicContact CG2-CE2 4.48Å; V209-Y217 VanDerWaalsContact CG2-OH 3.3Å; V209-Y217 WeakPolarHBondContact CG2-OH 3.28Å; H215-Y217 HydrophobicContact CB-CD2 4.46Å; H215-Y217 HydrophobicContact CB-CE2 3.84Å; H215-Y217 AromaticContact CD2-CD2 3.8Å; H215-Y217 AromaticContact CD2-CE2 3.61Å; H215-Y217 AromaticContact CD2-CZ 3.73Å
218	N	97.4	Very high	94.8	Very high	65 Å²	65	39.3 Å²	39.3	35%	0.348	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	102.9	-177.9	171.8	50.5	0	0	0	110.3	V164 L166 S190	V164-N218 VanDerWaalsContact CG1-OD1 3.29Å; V164-N218 WeakPolarHBondContact CG1-OD1 3.45Å; L166-N218 HydrophobicContact CD2-CB 3.92Å; L166-N218 WeakPolarHBondContact CD2-OD1 3.23Å; S190-N218 PolarHBondContact OG-N 3.42Å
219	W	97.3	Very high	94.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.5	179.3	-47.4	-29.2	0	0	0	110.7	L157 V164 I165 I167 I179 P181 V184 F185 S190 L257	L157-W219 HydrophobicContact CD1-CH2 4.41Å; L157-W219 HydrophobicContact CD1-CZ3 3.87Å; V164-W219 CarbonylContact C-O 3.54Å; V164-W219 WeakPolarHBondContact CA-O 3.36Å; I165-W219 HydrophobicContact CB-CB 4.3Å; I165-W219 HydrophobicContact CD1-CE3 4.35Å; I165-W219 HydrophobicContact CG2-CE3 4.31Å; I165-W219 PolarHBondContact N-O 3.19Å; I165-W219 PolarHBondContact O-N 3.49Å; I167-W219 HydrophobicContact CD1-CD2 4.05Å; I167-W219 HydrophobicContact CD1-CE3 3.52Å; I167-W219 HydrophobicContact CD1-CH2 3.29Å; I167-W219 HydrophobicContact CD1-CZ2 3.85Å; I167-W219 HydrophobicContact CD1-CZ3 3.11Å; I179-W219 HydrophobicContact CD1-CH2 3.8Å; I179-W219 HydrophobicContact CD1-CZ2 4.44Å; I179-W219 HydrophobicContact CG1-CH2 3.88Å; I179-W219 HydrophobicContact CG1-CZ2 4.21Å; I179-W219 HydrophobicContact CG2-CH2 4.45Å; I179-W219 HydrophobicContact CG2-CZ2 4.09Å; P181-W219 HydrophobicContact CB-CD2 3.96Å; P181-W219 HydrophobicContact CB-CE3 3.82Å; P181-W219 HydrophobicContact CB-CH2 3.6Å; P181-W219 HydrophobicContact CB-CZ2 3.73Å; P181-W219 HydrophobicContact CB-CZ3 3.63Å; P181-W219 HydrophobicContact CG-CD2 3.76Å; P181-W219 VanDerWaalsContact CG-CE2 3.46Å; P181-W219 HydrophobicContact CG-CE3 4.17Å; P181-W219 HydrophobicContact CG-CG 4.24Å; P181-W219 HydrophobicContact CG-CH2 4.09Å; P181-W219 HydrophobicContact CG-CZ2 3.65Å; P181-W219 HydrophobicContact CG-CZ3 4.31Å; V184-W219 HydrophobicContact CB-CB 4.41Å; V184-W219 HydrophobicContact CG2-CB 3.93Å; V184-W219 HydrophobicContact CG2-CD2 4.23Å; V184-W219 HydrophobicContact CG2-CE3 4.25Å; V184-W219 HydrophobicContact CG2-CG 4.11Å; F185-W219 CarbonylContact O-C 3.56Å; F185-W219 WeakPolarHBondContact O-CA 3.26Å; S190-W219 PolarHBondContact O-NE1 2.65Å; W219-L257 HydrophobicContact CZ3-CD2 4.3Å
220	T	95.4	Very high	94.5	Very high	38 Å²	38	47 Å²	47	23%	0.233	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.7	-178.9	67.2	0	0	0	0	111	V164 F185 P222	V164-T220 HydrophobicContact CG1-CG2 4.31Å; V164-T220 HydrophobicContact CG2-CG2 4.17Å; F185-T220 WeakPolarHBondContact CD1-OG1 3.22Å; F185-T220 PolarHBondContact N-O 2.67Å; F185-T220 PolarHBondContact O-N 3.33Å; F185-T220 PolarHBondContact O-OG1 3.32Å; T220-P222 VanDerWaalsContact C-CD 3.41Å; T220-P222 WeakPolarHBondContact O-CD 3.28Å
221	I	94.1	Very high	94.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	27%	0.271	C	S	.	.			trans	-114.5	78.6	176	-52.9	172.7	0	0	0	109.3	A159 V161 G162 D163 V184 T259	A159-I221 HydrophobicContact CB-CD1 3.5Å; A159-I221 VanDerWaalsContact CB-CD1 3.5Å; V161-I221 HydrophobicContact CB-CG2 4.4Å; V161-I221 HydrophobicContact CG2-CG2 4.2Å; G162-I221 PolarHBondContact N-O 2.95Å; D163-I221 PolarHBondContact O-N 2.77Å; V184-I221 HydrophobicContact CG1-CG1 4.14Å; I221-T259 HydrophobicContact CD1-CG2 3.58Å; I221-T259 HydrophobicContact CG1-CG2 4.06Å
222	P	92.5	Very high	94.1	Very high	41 Å²	41	41.6 Å²	41.6	27%	0.266	26%	0.257	S	S	.	.			trans	-66.4	163.7	171.2	30.1	-36.4	0	0	0	111.1	F185 T220 S224 H225 A226	F185-P222 HydrophobicContact CB-CG 3.65Å; F185-P222 HydrophobicContact CD2-CG 4.36Å; F185-P222 HydrophobicContact CG-CG 4.11Å; T220-P222 VanDerWaalsContact C-CD 3.41Å; T220-P222 WeakPolarHBondContact O-CD 3.28Å; P222-S224 WeakPolarHBondContact CG-OG 3.39Å; P222-S224 PolarHBondContact O-N 2.8Å; P222-H225 HydrophobicContact CG-CB 4.23Å; P222-H225 CarbonylContact O-C 3.52Å; P222-H225 PolarHBondContact O-N 2.86Å; P222-A226 PolarHBondContact O-N 2.77Å
223	E	89.1	Confident	94.1	Very high	117 Å²	117	39.9 Å²	39.9	55%	0.547	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.8	174.5	-59.9	-66.7	161.6	0	0	112.9	V161 H225 A226 R262	V161-E223 HydrophobicContact CG1-CG 4.45Å; V161-E223 WeakPolarHBondContact CG1-OE1 3.31Å; E223-H225 PolarHBondContact O-N 3.08Å; E223-A226 PolarHBondContact O-N 2.58Å; E223-R262 IonicContact OE1-CZ 2.66Å; E223-R262 IonicContact OE1-NE 2.58Å; E223-R262 PolarHBondContact OE1-NE 2.68Å; E223-R262 IonicContact OE1-NH2 3.34Å; E223-R262 PolarHBondContact OE1-NH2 3.06Å
224	S	86.8	Confident	94	Very high	45 Å²	45	39 Å²	39	32%	0.315	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-70	-16.5	173.3	57.8	0	0	0	0	114.2	P222 S1062 R1072	P222-S224 WeakPolarHBondContact CG-OG 3.39Å; P222-S224 PolarHBondContact O-N 2.8Å; S224-S1062 PolarHBondContact O-OG 3.31Å; S224-R1072 PolarHBondContact O-NH1 3.08Å; S224-R1072 PolarHBondContact O-NH2 2.75Å
225	H	89.4	Confident	94	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-118.8	7.9	178.8	-71.1	69.7	0	0	0	112.2	P222 E223 S1062	P222-H225 HydrophobicContact CG-CB 4.23Å; P222-H225 CarbonylContact O-C 3.52Å; P222-H225 PolarHBondContact O-N 2.86Å; E223-H225 PolarHBondContact O-N 3.08Å; H225-S1062 PolarHBondContact CD2-OG 3.15Å; H225-S1062 PolarHBondContact NE2-N 3.01Å; H225-S1062 VanDerWaalsContact NE2-N 3.16Å; H225-S1062 PolarHBondContact NE2-OG 3.17Å
226	A	90.8	Very high	93.9	Very high	8 Å²	8	34 Å²	34	7%	0.066	20%	0.196	C	C	.	.	S	Bend	trans	-68.6	148.5	176	0	0	0	0	0	112.4	V161 P222 E223 T228 R1072	V161-A226 HydrophobicContact CB-CB 4.36Å; V161-A226 HydrophobicContact CG1-CB 3.88Å; V161-A226 HydrophobicContact CG2-CB 3.47Å; V161-A226 VanDerWaalsContact CG2-CB 3.47Å; P222-A226 PolarHBondContact O-N 2.77Å; E223-A226 PolarHBondContact O-N 2.58Å; A226-T228 PolarHBondContact O-N 2.96Å; A226-R1072 PolarHBondContact O-NE 3.38Å
227	P	94.9	Very high	93.9	Very high	10 Å²	10	30 Å²	30	7%	0.065	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-55.4	132.4	157.1	-19.8	31.1	0	0	0	110.4	D231 L235 T259 K261	P227-D231 HydrophobicContact CB-CB 3.88Å; P227-L235 HydrophobicContact CB-CD1 3.7Å; P227-L235 HydrophobicContact CB-CG 4.02Å; P227-L235 HydrophobicContact CG-CD1 3.87Å; P227-L235 HydrophobicContact CG-CG 4.07Å; P227-T259 WeakPolarHBondContact CG-O 3.19Å; P227-K261 HydrophobicContact CB-CG 4.1Å; P227-K261 HydrophobicContact CG-CG 4.41Å
228	T	94.6	Very high	93.9	Very high	26 Å²	26	30 Å²	30	16%	0.16	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-68.6	170	178.4	75.7	0	0	0	0	111.6	A226 A230 D231 K261 L1064 N1070 R1072	A226-T228 PolarHBondContact O-N 2.96Å; T228-A230 PolarHBondContact O-N 3Å; T228-A230 VanDerWaalsContact O-N 3.14Å; T228-A230 PolarHBondContact OG1-N 2.93Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.39Å; T228-D231 PolarHBondContact N-OD2 3.03Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-N 3.09Å; T228-D231 VanDerWaalsContact OG1-N 3.17Å; T228-D231 PolarHBondContact OG1-OD2 3.04Å; T228-K261 WeakPolarHBondContact O-CE 3.24Å; T228-K261 PolarHBondContact O-NZ 3.31Å; T228-L1064 HydrophobicContact CG2-CD2 3.82Å; T228-N1070 WeakPolarHBondContact CB-O 3.42Å; T228-N1070 HydrophobicContact CG2-CB 4.38Å; T228-N1070 WeakPolarHBondContact CG2-O 3.5Å; T228-N1070 PolarHBondContact OG1-O 2.94Å; T228-R1072 HydrophobicContact CG2-CB 4.39Å
229	D	92.4	Very high	93.9	Very high	169 Å²	169	27 Å²	27	90%	0.904	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.9	172.9	-75	-44.1	0	0	0	113.4	K261	D229-K261 PolarHBondContact O-NZ 3.23Å
230	A	92.4	Very high	94	Very high	36 Å²	36	27 Å²	27	30%	0.298	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-20	-178.3	0	0	0	0	0	114.8	T228 E1069 Y1071	T228-A230 PolarHBondContact O-N 3Å; T228-A230 VanDerWaalsContact O-N 3.14Å; T228-A230 PolarHBondContact OG1-N 2.93Å; A230-E1069 HydrophobicContact CB-CB 3.54Å; A230-E1069 HydrophobicContact CB-CG 3.98Å; A230-Y1071 HydrophobicContact CB-CD1 4.4Å; A230-Y1071 HydrophobicContact CB-CE1 3.89Å
231	D	94.2	Very high	94.1	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	15%	0.148	C	C	.	.	S	Bend	trans	-62.7	161.8	171.6	-73.4	-46.8	0	0	0	111.9	P227 T228 L235 K261 Y1071 R1072	P227-D231 HydrophobicContact CB-CB 3.88Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.39Å; T228-D231 PolarHBondContact N-OD2 3.03Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-N 3.09Å; T228-D231 VanDerWaalsContact OG1-N 3.17Å; T228-D231 PolarHBondContact OG1-OD2 3.04Å; D231-L235 HydrophobicContact CB-CD1 4.2Å; D231-L235 HydrophobicContact CB-CD2 4.07Å; D231-L235 HydrophobicContact CB-CG 4.27Å; D231-K261 PolarHBondContact O-NZ 2.94Å; D231-Y1071 WeakPolarHBondContact OD1-CD1 3.48Å; D231-R1072 PolarHBondContact OD1-N 3.48Å; D231-R1072 WeakPolarHBondContact OD2-CB 3.47Å; D231-R1072 PolarHBondContact OD2-N 3.14Å
232	P	93.6	Very high	94.3	Very high	21 Å²	21	25.3 Å²	25.3	14%	0.136	15%	0.149	C	C	.	.			trans	-58.9	176	169.9	-24.6	36.1	0	0	0	113.8	C234 K261 T386	P232-C234 PolarHBondContact O-N 2.81Å; P232-K261 VanDerWaalsContact O-CE 3.24Å; P232-K261 WeakPolarHBondContact O-CE 3.32Å; P232-T386 HydrophobicContact CB-CG2 4.34Å; P232-T386 HydrophobicContact CG-CG2 4.34Å
233	A	94.4	Very high	94.3	Very high	23 Å²	23	24.4 Å²	24.4	19%	0.19	14%	0.143	C	C	.	.	S	Bend	trans	-62.1	-30.6	179.7	0	0	0	0	0	113.7	K261 A264 D275	A233-K261 PolarHBondContact O-N 3.45Å; A233-A264 HydrophobicContact CB-CB 4.48Å; A233-D275 HydrophobicContact CB-CB 4.41Å; A233-D275 VanDerWaalsContact CB-OD2 3.26Å; A233-D275 WeakPolarHBondContact CB-OD2 3.47Å
234	C	95.4	Very high	94.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.9	169.7	-55.9	0	0	0	0	109.6	P232 I258 T259 C260 R273	P232-C234 PolarHBondContact O-N 2.81Å; C234-I258 HydrophobicContact CB-CB 4.43Å; C234-I258 HydrophobicContact CB-CD1 4.29Å; C234-T259 CarbonylContact C-O 3.57Å; C234-T259 VanDerWaalsContact CA-O 3.26Å; C234-T259 WeakPolarHBondContact CA-O 3.13Å; C234-C260 HydrophobicContact CB-CB 4.05Å; C234-C260 WeakPolarHBondContact CB-SG 3.4Å; C234-C260 WeakPolarHBondContact SG-CB 3.43Å; C234-C260 CovalentContact SG-SG 2.04Å; C234-C260 PolarHBondContact SG-SG 3.33Å; C234-R273 VanDerWaalsContact SG-CD 3.6Å
235	L	95.9	Very high	94.9	Very high	13 Å²	13	18 Å²	18	7%	0.068	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	152.2	174	-73.4	170.8	0	0	0	111.7	P227 D231 W237 I258 T259 R1072	P227-L235 HydrophobicContact CB-CD1 3.7Å; P227-L235 HydrophobicContact CB-CG 4.02Å; P227-L235 HydrophobicContact CG-CD1 3.87Å; P227-L235 HydrophobicContact CG-CG 4.07Å; D231-L235 HydrophobicContact CB-CD1 4.2Å; D231-L235 HydrophobicContact CB-CD2 4.07Å; D231-L235 HydrophobicContact CB-CG 4.27Å; L235-W237 HydrophobicContact CB-CZ2 3.69Å; L235-W237 HydrophobicContact CD1-CH2 4.26Å; L235-W237 HydrophobicContact CD1-CZ2 3.61Å; L235-W237 HydrophobicContact CG-CZ2 4.27Å; L235-I258 VanDerWaalsContact O-CA 3.24Å; L235-I258 WeakPolarHBondContact O-CA 3.34Å; L235-I258 VanDerWaalsContact O-CB 3.3Å; L235-I258 WeakPolarHBondContact O-CB 3.23Å; L235-I258 WeakPolarHBondContact O-CG2 3.41Å; L235-T259 PolarHBondContact N-O 3.46Å; L235-T259 PolarHBondContact O-N 3.39Å; L235-R1072 HydrophobicContact CD1-CB 3.64Å; L235-R1072 HydrophobicContact CD1-CG 3.9Å
236	T	96.6	Very high	95.2	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.6	174.9	-52.7	0	0	0	0	110	H347 F349 F384 V385 T386	T236-H347 HydrophobicContact CG2-CB 3.95Å; T236-H347 PolarHBondContact OG1-ND1 3.19Å; T236-F349 HydrophobicContact CG2-CD1 4.23Å; T236-F384 HydrophobicContact CG2-CB 4.45Å; T236-F384 VanDerWaalsContact O-CB 3.3Å; T236-F384 WeakPolarHBondContact O-CB 3.44Å; T236-V385 PolarHBondContact OG1-O 3.24Å; T236-T386 PolarHBondContact N-OG1 2.84Å; T236-T386 PolarHBondContact OG1-OG1 2.94Å
237	W	97.2	Very high	95.5	Very high	5 Å²	5	21 Å²	21	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	176.4	169.6	-45.5	104.6	0	0	0	108.5	H182 L235 L257 T259 F384 R1072 D1074	H182-W237 HydrophobicContact CB-CB 3.94Å; H182-W237 HydrophobicContact CB-CE3 4.41Å; L235-W237 HydrophobicContact CB-CZ2 3.69Å; L235-W237 HydrophobicContact CD1-CH2 4.26Å; L235-W237 HydrophobicContact CD1-CZ2 3.61Å; L235-W237 HydrophobicContact CG-CZ2 4.27Å; W237-L257 CarbonylContact C-O 3.55Å; W237-L257 WeakPolarHBondContact CA-O 3.37Å; W237-L257 HydrophobicContact CB-CB 4.2Å; W237-L257 HydrophobicContact CB-CG 4.3Å; W237-L257 WeakPolarHBondContact CB-O 3.29Å; W237-L257 PolarHBondContact N-O 3.25Å; W237-L257 PolarHBondContact O-N 3.36Å; W237-T259 PolarHBondContact NE1-OG1 2.88Å; W237-F384 AromaticContact CE3-CD2 3.69Å; W237-F384 HydrophobicContact CE3-CD2 3.69Å; W237-F384 HydrophobicContact CE3-CE2 4.14Å; W237-F384 HydrophobicContact CZ3-CD2 4.13Å; W237-R1072 HydrophobicContact CH2-CG 3.93Å; W237-R1072 HydrophobicContact CZ2-CG 3.99Å; W237-D1074 HydrophobicContact CZ3-CB 4.43Å; W237-D1074 WeakPolarHBondContact CZ3-OD1 3.17Å
238	I	97.6	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	174.4	170.6	67.3	176.2	0	0	0	111	H182 I254 G255 F349 M351 F384	H182-I238 WeakPolarHBondContact CB-O 3.42Å; H182-I238 WeakPolarHBondContact CD2-CG1 3.44Å; H182-I238 PolarHBondContact N-O 3.15Å; I238-I254 HydrophobicContact CB-CG1 4.49Å; I238-I254 HydrophobicContact CD1-CD1 3.89Å; I238-I254 HydrophobicContact CD1-CG1 4.43Å; I238-G255 CarbonylContact C-O 3.59Å; I238-G255 VanDerWaalsContact CA-O 3.29Å; I238-G255 WeakPolarHBondContact CA-O 3.23Å; I238-G255 WeakPolarHBondContact CB-O 3.33Å; I238-F349 HydrophobicContact CG2-CB 4.26Å; I238-F349 HydrophobicContact CG2-CD1 4.33Å; I238-F349 HydrophobicContact CG2-CD2 3.41Å; I238-F349 VanDerWaalsContact CG2-CD2 3.41Å; I238-F349 HydrophobicContact CG2-CE2 3.66Å; I238-F349 HydrophobicContact CG2-CG 3.77Å; I238-F349 HydrophobicContact CG2-CZ 4.24Å; I238-M351 HydrophobicContact CD1-CE 3.29Å; I238-F384 HydrophobicContact CB-CE1 4.22Å; I238-F384 HydrophobicContact CD1-CE1 3.84Å; I238-F384 HydrophobicContact CD1-CZ 4.04Å; I238-F384 HydrophobicContact CG1-CE1 3.69Å; I238-F384 HydrophobicContact CG1-CZ 3.73Å; I238-F384 HydrophobicContact CG2-CD1 4.2Å; I238-F384 HydrophobicContact CG2-CE1 3.71Å
239	Y	98.4	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.6	156.3	65.8	-93.4	0	0	0	109.1	Y132 G154 P155 L157 I179 H180 I254 G255 L257	Y132-Y239 HydrophobicContact CD1-CE2 4.3Å; Y132-Y239 HydrophobicContact CD2-CD2 4.28Å; Y132-Y239 AromaticContact CD2-CE2 3.54Å; Y132-Y239 HydrophobicContact CD2-CE2 3.54Å; Y132-Y239 HydrophobicContact CE1-CE2 4.41Å; Y132-Y239 AromaticContact CE2-CD2 3.92Å; Y132-Y239 HydrophobicContact CE2-CD2 3.92Å; Y132-Y239 AromaticContact CE2-CE2 3.64Å; Y132-Y239 HydrophobicContact CE2-CE2 3.64Å; Y132-Y239 AromaticContact CG-CE2 3.88Å; Y132-Y239 HydrophobicContact CG-CE2 3.88Å; G154-Y239 WeakPolarHBondContact CA-OH 3.04Å; P155-Y239 WeakPolarHBondContact CD-OH 3.13Å; P155-Y239 WeakPolarHBondContact CG-OH 3.03Å; P155-Y239 PolarHBondContact O-OH 2.68Å; L157-Y239 HydrophobicContact CB-CE1 4.49Å; L157-Y239 HydrophobicContact CD1-CD1 3.57Å; L157-Y239 HydrophobicContact CD1-CE1 3.49Å; L157-Y239 VanDerWaalsContact CD1-CE1 3.49Å; L157-Y239 HydrophobicContact CD1-CG 4.26Å; L157-Y239 HydrophobicContact CG-CD1 4.13Å; L157-Y239 HydrophobicContact CG-CE1 3.64Å; I179-Y239 HydrophobicContact CD1-CD2 3.34Å; I179-Y239 HydrophobicContact CD1-CE2 3.56Å; I179-Y239 HydrophobicContact CD1-CG 3.96Å; I179-Y239 HydrophobicContact CG1-CD2 3.47Å; I179-Y239 VanDerWaalsContact CG1-CD2 3.47Å; I179-Y239 HydrophobicContact CG1-CE2 4.12Å; I179-Y239 HydrophobicContact CG1-CG 4.1Å; H180-Y239 CarbonylContact O-C 3.51Å; H180-Y239 WeakPolarHBondContact O-CA 3.5Å; H180-Y239 VanDerWaalsContact O-CB 3.32Å; H180-Y239 WeakPolarHBondContact O-CB 3.39Å; Y239-I254 CarbonylContact O-C 3.57Å; Y239-I254 WeakPolarHBondContact O-CA 3.25Å; Y239-G255 WeakPolarHBondContact CD1-O 3.22Å; Y239-G255 VanDerWaalsContact CE1-C 3.48Å; Y239-G255 PolarHBondContact N-O 3.5Å; Y239-G255 PolarHBondContact O-N 3.15Å; Y239-L257 HydrophobicContact CD1-CB 4.28Å
240	H	98.4	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	172.7	178	60.2	92	0	0	0	111.9	Y132 I179 H180 H182 H242 I249 L253 I254 H1101	Y132-H240 PolarHBondContact OH-O 2.94Å; I179-H240 CarbonylContact C-O 3.5Å; I179-H240 WeakPolarHBondContact CA-O 3.48Å; H180-H240 AromaticContact CD2-NE2 3.88Å; H180-H240 PolarHBondContact N-O 3.09Å; H180-H240 PolarHBondContact O-N 2.93Å; H182-H240 AromaticContact NE2-NE2 3.67Å; H240-H242 AromaticContact CE1-CD2 3.57Å; H240-I249 HydrophobicContact CB-CD1 4.07Å; H240-I249 HydrophobicContact CB-CG1 3.77Å; H240-L253 WeakPolarHBondContact CA-O 3.37Å; H240-L253 WeakPolarHBondContact CB-O 3.4Å; H240-I254 HydrophobicContact CB-CB 4.38Å; H240-H1101 AromaticContact CE1-CE1 3.96Å; H240-H1101 AromaticContact CE1-NE2 3.93Å; H240-H1101 AromaticContact NE2-CE1 3.46Å; H240-H1101 PolarHBondContact NE2-CE1 2.88Å; H240-H1101 AromaticContact NE2-NE2 3.23Å; H240-H1101 PolarHBondContact NE2-NE2 3.3Å
241	S	98.4	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.			trans	-83.2	147.3	167.6	174.9	0	0	0	0	109.5	Y132 T178 D248 L253	Y132-S241 WeakPolarHBondContact OH-CA 3.37Å; Y132-S241 WeakPolarHBondContact OH-CB 3.26Å; Y132-S241 PolarHBondContact OH-N 2.99Å; T178-S241 PolarHBondContact N-OG 2.86Å; S241-D248 WeakPolarHBondContact CB-OD2 3.15Å; S241-D248 PolarHBondContact OG-OD2 3.12Å; S241-L253 PolarHBondContact N-O 2.69Å; S241-L253 VanDerWaalsContact N-O 3.16Å
242	H	96.6	Very high	96.3	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.023	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-141.2	44.2	-168.7	-160.5	-40.5	0	0	0	111.4	T178 H180 S193 L194 H240 A245 H1059	T178-H242 PolarHBondContact OG1-N 2.77Å; H180-H242 HydrophobicContact CB-CB 3.87Å; H180-H242 AromaticContact CD2-CD2 3.72Å; S193-H242 PolarHBondContact OG-CD2 2.72Å; S193-H242 PolarHBondContact OG-CE1 2.76Å; S193-H242 VanDerWaalsContact OG-CG 3.28Å; S193-H242 PolarHBondContact OG-ND1 2.98Å; S193-H242 PolarHBondContact OG-NE2 3.49Å; L194-H242 PolarHBondContact N-O 2.83Å; L194-H242 VanDerWaalsContact N-O 3.1Å; H240-H242 AromaticContact CE1-CD2 3.57Å; H242-A245 HydrophobicContact CB-CB 4.38Å; H242-H1059 AromaticContact NE2-CE1 3.63Å; H242-H1059 AromaticContact NE2-NE2 3.82Å
243	V	94.3	Very high	96.6	Very high	22 Å²	22	9.3 Å²	9.3	13%	0.133	5%	0.052	C	C	.	.	S	Bend	trans	-83.4	-45.4	164.7	-176.2	0	0	0	0	109.5	T178 L194 D248	T178-V243 HydrophobicContact CG2-CG2 3.79Å; L194-V243 HydrophobicContact CD2-CG1 4.08Å; V243-D248 PolarHBondContact N-OD2 2.82Å
244	D	93.8	Very high	96.7	Very high	19 Å²	19	8.3 Å²	8.3	10%	0.102	4%	0.043	C	C	.	.	S	Bend	trans	-140.9	89.6	164	-177.7	-23.2	0	0	0	104.8	R247 D248 W293 Y819 H1107	D244-R247 HydrophobicContact CB-CB 4.25Å; D244-R247 PolarHBondContact O-N 2.9Å; D244-R247 VanDerWaalsContact O-N 3.09Å; D244-R247 WeakPolarHBondContact OD2-CD 3.49Å; D244-D248 PolarHBondContact N-OD2 2.97Å; D244-D248 WeakPolarHBondContact O-CB 3.47Å; D244-D248 VanDerWaalsContact O-CG 3.28Å; D244-D248 PolarHBondContact O-N 3.33Å; D244-W293 HydrophobicContact CB-CZ2 3.88Å; D244-Y819 PolarHBondContact OD2-OH 3.04Å; D244-H1107 IonicContact OD1-CD2 3.45Å; D244-H1107 IonicContact OD1-CE1 3.64Å; D244-H1107 IonicContact OD1-NE2 2.88Å; D244-H1107 PolarHBondContact OD1-NE2 2.94Å; D244-H1107 IonicContact OD2-NE2 2.79Å
245	A	94.5	Very high	96.9	Very high	9 Å²	9	8.3 Å²	8.3	7%	0.074	4%	0.043	C	C	.	.	H	α-helix	trans	-55.1	-47.7	-162.5	0	0	0	0	0	113.4	H242 R247 D248 I249	H242-A245 HydrophobicContact CB-CB 4.38Å; A245-R247 PolarHBondContact O-N 2.86Å; A245-D248 PolarHBondContact O-N 2.93Å; A245-I249 VanDerWaalsContact O-CB 3.23Å; A245-I249 WeakPolarHBondContact O-CB 3.48Å; A245-I249 WeakPolarHBondContact O-CD1 3.34Å; A245-I249 WeakPolarHBondContact O-CG1 3.47Å; A245-I249 PolarHBondContact O-N 3.47Å
246	P	95.3	Very high	97	Very high	11 Å²	11	7.7 Å²	7.7	7%	0.071	4%	0.039	C	C	.	.	H	α-helix	trans	-56.4	-45.5	175.4	-28.5	37.6	0	0	0	113.9	A250 T1103	P246-A250 WeakPolarHBondContact O-CB 3.36Å; P246-A250 PolarHBondContact O-N 2.87Å; P246-T1103 HydrophobicContact CB-CG2 3.54Å; P246-T1103 HydrophobicContact CG-CG2 4.06Å
247	R	96	Very high	97	Very high	62 Å²	62	7.5 Å²	7.5	23%	0.234	4%	0.039	C	C	.	.	H	α-helix	trans	-72.1	-38.6	-178	-61.9	-165.8	69.6	163.6	7.5	112.7	D244 A245 T251 L291 W293 Y819	D244-R247 HydrophobicContact CB-CB 4.25Å; D244-R247 PolarHBondContact O-N 2.9Å; D244-R247 VanDerWaalsContact O-N 3.09Å; D244-R247 WeakPolarHBondContact OD2-CD 3.49Å; A245-R247 PolarHBondContact O-N 2.86Å; R247-T251 VanDerWaalsContact O-CB 3.27Å; R247-T251 WeakPolarHBondContact O-CB 3.01Å; R247-T251 PolarHBondContact O-N 3.22Å; R247-T251 PolarHBondContact O-OG1 3.08Å; R247-L291 PolarHBondContact NE-O 3.1Å; R247-L291 PolarHBondContact NH2-O 3.02Å; R247-W293 HydrophobicContact CB-CD2 4.46Å; R247-W293 HydrophobicContact CB-CZ2 3.95Å; R247-W293 HydrophobicContact CG-CZ2 4.49Å; R247-Y819 VanDerWaalsContact CD-OH 3.3Å; R247-Y819 WeakPolarHBondContact CD-OH 3.47Å
248	D	97.6	Very high	96.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.3	-44	176.4	-72.4	-3.5	0	0	0	111	Y177 S241 V243 D244 A245 T251 G252 L253 W293	Y177-D248 WeakPolarHBondContact CE1-OD1 3.22Å; S241-D248 WeakPolarHBondContact CB-OD2 3.15Å; S241-D248 PolarHBondContact OG-OD2 3.12Å; V243-D248 PolarHBondContact N-OD2 2.82Å; D244-D248 PolarHBondContact N-OD2 2.97Å; D244-D248 WeakPolarHBondContact O-CB 3.47Å; D244-D248 VanDerWaalsContact O-CG 3.28Å; D244-D248 PolarHBondContact O-N 3.33Å; A245-D248 PolarHBondContact O-N 2.93Å; D248-T251 WeakPolarHBondContact O-CB 3.28Å; D248-T251 PolarHBondContact O-N 2.74Å; D248-G252 PolarHBondContact O-N 3Å; D248-L253 WeakPolarHBondContact O-CB 3.31Å; D248-L253 PolarHBondContact O-N 3.26Å; D248-W293 PolarHBondContact OD1-NE1 2.92Å
249	I	97.6	Very high	96.9	Very high	16 Å²	16	7.3 Å²	7.3	8%	0.082	4%	0.038	C	C	.	.	H	α-helix	trans	-63	-50.8	174.2	-73.3	169.4	0	0	0	110.9	H240 A245 T251 G252 M351	H240-I249 HydrophobicContact CB-CD1 4.07Å; H240-I249 HydrophobicContact CB-CG1 3.77Å; A245-I249 VanDerWaalsContact O-CB 3.23Å; A245-I249 WeakPolarHBondContact O-CB 3.48Å; A245-I249 WeakPolarHBondContact O-CD1 3.34Å; A245-I249 WeakPolarHBondContact O-CG1 3.47Å; A245-I249 PolarHBondContact O-N 3.47Å; I249-T251 PolarHBondContact O-N 2.92Å; I249-G252 WeakPolarHBondContact O-CA 3.36Å; I249-G252 PolarHBondContact O-N 3.15Å; I249-M351 HydrophobicContact CD1-CE 4.28Å; I249-M351 HydrophobicContact CD1-CG 4.08Å; I249-M351 HydrophobicContact CD1-SD 3.86Å; I249-M351 HydrophobicContact CG2-CB 4.5Å; I249-M351 HydrophobicContact CG2-CG 3.4Å; I249-M351 VanDerWaalsContact CG2-CG 3.4Å; I249-M351 HydrophobicContact CG2-SD 4.5Å
250	A	97.3	Very high	96.7	Very high	8 Å²	8	7.3 Å²	7.3	7%	0.066	4%	0.038	C	C	.	.	H	α-helix	trans	-57.2	-36.7	177	0	0	0	0	0	111.8	K129 P246 G252 L291	K129-A250 PolarHBondContact NZ-O 2.95Å; P246-A250 WeakPolarHBondContact O-CB 3.36Å; P246-A250 PolarHBondContact O-N 2.87Å; A250-G252 PolarHBondContact O-N 3.17Å; A250-L291 HydrophobicContact CB-CB 3.86Å
251	T	97.4	Very high	96.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.3	-23	173.9	-57.2	0	0	0	0	113	K129 T130 R247 D248 I249 W293	K129-T251 CarbonylContact C-O 3.56Å; K129-T251 WeakPolarHBondContact CA-O 3.23Å; K129-T251 VanDerWaalsContact CB-O 3.23Å; K129-T251 WeakPolarHBondContact CB-O 3.25Å; K129-T251 WeakPolarHBondContact CE-O 3.3Å; T130-T251 PolarHBondContact N-O 2.7Å; R247-T251 VanDerWaalsContact O-CB 3.27Å; R247-T251 WeakPolarHBondContact O-CB 3.01Å; R247-T251 PolarHBondContact O-N 3.22Å; R247-T251 PolarHBondContact O-OG1 3.08Å; D248-T251 WeakPolarHBondContact O-CB 3.28Å; D248-T251 PolarHBondContact O-N 2.74Å; I249-T251 PolarHBondContact O-N 2.92Å; T251-W293 HydrophobicContact CG2-CB 4.28Å; T251-W293 VanDerWaalsContact OG1-CD1 3.23Å; T251-W293 PolarHBondContact OG1-N 3.13Å
252	G	97	Very high	96.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.7	2.5	173.4	0	0	0	0	0	115.7	T130 D248 I249 A250 I254	T130-G252 CarbonylContact O-C 3.57Å; T130-G252 VanDerWaalsContact O-CA 3.26Å; T130-G252 WeakPolarHBondContact O-CA 3.29Å; D248-G252 PolarHBondContact O-N 3Å; I249-G252 WeakPolarHBondContact O-CA 3.36Å; I249-G252 PolarHBondContact O-N 3.15Å; A250-G252 PolarHBondContact O-N 3.17Å; G252-I254 PolarHBondContact O-N 2.85Å
253	L	98.3	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.			trans	-86.9	71.7	-172.6	-68.4	177	0	0	0	113.2	I86 T130 Y132 Y177 H240 S241 D248	I86-L253 HydrophobicContact CG1-CD2 4.35Å; I86-L253 HydrophobicContact CG2-CD1 4.37Å; I86-L253 HydrophobicContact CG2-CD2 4.06Å; T130-L253 HydrophobicContact CG2-CD1 4.37Å; T130-L253 HydrophobicContact CG2-CD2 4.08Å; T130-L253 HydrophobicContact CG2-CG 4.38Å; T130-L253 PolarHBondContact O-N 3.33Å; Y132-L253 HydrophobicContact CD1-CD2 4.37Å; Y132-L253 HydrophobicContact CD2-CB 4.49Å; Y132-L253 HydrophobicContact CD2-CD2 3.99Å; Y132-L253 HydrophobicContact CE1-CD2 4.29Å; Y132-L253 HydrophobicContact CE2-CB 3.84Å; Y132-L253 HydrophobicContact CE2-CD2 3.94Å; Y132-L253 HydrophobicContact CG-CD2 4.22Å; Y177-L253 HydrophobicContact CD1-CD1 3.35Å; Y177-L253 HydrophobicContact CD2-CD1 3.85Å; Y177-L253 HydrophobicContact CE1-CD1 3.7Å; Y177-L253 HydrophobicContact CE2-CD1 4.13Å; Y177-L253 HydrophobicContact CG-CD1 3.43Å; Y177-L253 VanDerWaalsContact CG-CD1 3.43Å; H240-L253 WeakPolarHBondContact CA-O 3.37Å; H240-L253 WeakPolarHBondContact CB-O 3.4Å; S241-L253 PolarHBondContact N-O 2.69Å; S241-L253 VanDerWaalsContact N-O 3.16Å; D248-L253 WeakPolarHBondContact O-CB 3.31Å; D248-L253 PolarHBondContact O-N 3.26Å
254	I	98.3	Very high	95.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.1	172.7	-177.3	168.6	0	0	0	110.8	F152 L153 G154 I238 Y239 H240 G252 L283 F349 M351	F152-I254 HydrophobicContact CE2-CG2 3.97Å; L153-I254 WeakPolarHBondContact CA-O 3.23Å; L153-I254 HydrophobicContact CD2-CG2 3.92Å; G154-I254 PolarHBondContact N-O 3.27Å; I238-I254 HydrophobicContact CB-CG1 4.49Å; I238-I254 HydrophobicContact CD1-CD1 3.89Å; I238-I254 HydrophobicContact CD1-CG1 4.43Å; Y239-I254 CarbonylContact O-C 3.57Å; Y239-I254 WeakPolarHBondContact O-CA 3.25Å; H240-I254 HydrophobicContact CB-CB 4.38Å; G252-I254 PolarHBondContact O-N 2.85Å; I254-L283 HydrophobicContact CD1-CD1 4.47Å; I254-L283 HydrophobicContact CG2-CD2 4.09Å; I254-F349 HydrophobicContact CD1-CD2 4.39Å; I254-F349 HydrophobicContact CD1-CE2 4.04Å; I254-F349 HydrophobicContact CG1-CE2 4.38Å; I254-M351 HydrophobicContact CD1-CB 4.14Å; I254-M351 HydrophobicContact CD1-CE 4.08Å; I254-M351 HydrophobicContact CD1-CG 4.1Å
255	G	98	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.4	174.3	0	0	0	0	0	112.6	I238 Y239	I238-G255 CarbonylContact C-O 3.59Å; I238-G255 VanDerWaalsContact CA-O 3.29Å; I238-G255 WeakPolarHBondContact CA-O 3.23Å; I238-G255 WeakPolarHBondContact CB-O 3.33Å; Y239-G255 WeakPolarHBondContact CD1-O 3.22Å; Y239-G255 VanDerWaalsContact CE1-C 3.48Å; Y239-G255 PolarHBondContact N-O 3.5Å; Y239-G255 PolarHBondContact O-N 3.15Å
256	P	97.6	Very high	95.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.2	-177	34.2	-30.9	0	0	0	112.9	L150 G154 V156 L157 F281 F349	L150-P256 HydrophobicContact CD1-CG 4.36Å; G154-P256 VanDerWaalsContact O-CD 3.24Å; G154-P256 WeakPolarHBondContact O-CD 3.39Å; V156-P256 HydrophobicContact CB-CG 4.37Å; V156-P256 HydrophobicContact CG1-CG 4.41Å; V156-P256 HydrophobicContact CG2-CG 3.97Å; L157-P256 PolarHBondContact N-O 2.93Å; P256-F281 HydrophobicContact CB-CB 4.46Å; P256-F281 HydrophobicContact CB-CD1 3.41Å; P256-F281 VanDerWaalsContact CB-CD1 3.41Å; P256-F281 HydrophobicContact CB-CE1 3.97Å; P256-F281 HydrophobicContact CB-CG 4.12Å; P256-F281 HydrophobicContact CG-CB 4.28Å; P256-F281 HydrophobicContact CG-CD1 3.8Å; P256-F281 HydrophobicContact CG-CE1 4.41Å; P256-F281 HydrophobicContact CG-CG 4.03Å; P256-F349 HydrophobicContact CB-CE1 4.09Å; P256-F349 HydrophobicContact CB-CZ 4.24Å
257	L	97.2	Very high	94.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.7	176	168.3	60.5	0	0	0	108.8	L157 I165 P181 H182 V184 W219 W237 Y239	L157-L257 HydrophobicContact CB-CB 4.39Å; L157-L257 HydrophobicContact CB-CD1 3.63Å; L157-L257 CarbonylContact O-C 3.57Å; L157-L257 WeakPolarHBondContact O-CA 3.45Å; I165-L257 HydrophobicContact CD1-CD1 4.02Å; P181-L257 HydrophobicContact CB-CD2 4.01Å; H182-L257 WeakPolarHBondContact O-CD2 3.44Å; V184-L257 HydrophobicContact CG1-CD2 3.96Å; V184-L257 HydrophobicContact CG2-CD2 4.36Å; W219-L257 HydrophobicContact CZ3-CD2 4.3Å; W237-L257 CarbonylContact C-O 3.55Å; W237-L257 WeakPolarHBondContact CA-O 3.37Å; W237-L257 HydrophobicContact CB-CB 4.2Å; W237-L257 HydrophobicContact CB-CG 4.3Å; W237-L257 WeakPolarHBondContact CB-O 3.29Å; W237-L257 PolarHBondContact N-O 3.25Å; W237-L257 PolarHBondContact O-N 3.36Å; Y239-L257 HydrophobicContact CD1-CB 4.28Å
258	I	96.4	Very high	93.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	172.1	65.8	174.6	0	0	0	112.2	L157 Q158 A159 C234 L235 F281	L157-I258 PolarHBondContact O-N 3.12Å; Q158-I258 HydrophobicContact CB-CD1 4.3Å; Q158-I258 HydrophobicContact CB-CG1 3.94Å; Q158-I258 HydrophobicContact CG-CD1 3.9Å; Q158-I258 HydrophobicContact CG-CG1 3.77Å; A159-I258 PolarHBondContact N-O 2.79Å; C234-I258 HydrophobicContact CB-CB 4.43Å; C234-I258 HydrophobicContact CB-CD1 4.29Å; L235-I258 VanDerWaalsContact O-CA 3.24Å; L235-I258 WeakPolarHBondContact O-CA 3.34Å; L235-I258 VanDerWaalsContact O-CB 3.3Å; L235-I258 WeakPolarHBondContact O-CB 3.23Å; L235-I258 WeakPolarHBondContact O-CG2 3.41Å; I258-F281 HydrophobicContact CG2-CE1 3.68Å; I258-F281 HydrophobicContact CG2-CZ 4.05Å
259	T	95.6	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.9	169.1	67.5	0	0	0	0	109.4	V184 I221 P227 C234 L235 W237	V184-T259 HydrophobicContact CG1-CG2 3.63Å; I221-T259 HydrophobicContact CD1-CG2 3.58Å; I221-T259 HydrophobicContact CG1-CG2 4.06Å; P227-T259 WeakPolarHBondContact CG-O 3.19Å; C234-T259 CarbonylContact C-O 3.57Å; C234-T259 VanDerWaalsContact CA-O 3.26Å; C234-T259 WeakPolarHBondContact CA-O 3.13Å; L235-T259 PolarHBondContact N-O 3.46Å; L235-T259 PolarHBondContact O-N 3.39Å; W237-T259 PolarHBondContact NE1-OG1 2.88Å
260	C	95.7	Very high	90.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.7	-169	-69.1	0	0	0	0	112.6	A159 E160 V161 C234 A264 L265	A159-C260 WeakPolarHBondContact O-CB 3.41Å; A159-C260 PolarHBondContact O-N 2.63Å; E160-C260 CarbonylContact C-O 3.58Å; E160-C260 VanDerWaalsContact CA-O 3.24Å; E160-C260 WeakPolarHBondContact CA-O 3.36Å; E160-C260 HydrophobicContact CG-CB 4.23Å; V161-C260 WeakPolarHBondContact CG2-O 3.49Å; V161-C260 PolarHBondContact N-O 2.9Å; C234-C260 HydrophobicContact CB-CB 4.05Å; C234-C260 WeakPolarHBondContact CB-SG 3.4Å; C234-C260 WeakPolarHBondContact SG-CB 3.43Å; C234-C260 CovalentContact SG-SG 2.04Å; C234-C260 PolarHBondContact SG-SG 3.33Å; C260-A264 HydrophobicContact CB-CB 4.31Å; C260-L265 HydrophobicContact CB-CD1 4.43Å; C260-L265 HydrophobicContact CB-CG 4.17Å
261	K	95.2	Very high	90	Very high	53 Å²	53	32.9 Å²	32.9	23%	0.23	21%	0.207	C	C	.	.			trans	-63.5	147.6	169.3	-65.8	179.9	179.1	177.8	0	110.2	P227 T228 D229 D231 P232 A233 G263 A264	P227-K261 HydrophobicContact CB-CG 4.1Å; P227-K261 HydrophobicContact CG-CG 4.41Å; T228-K261 WeakPolarHBondContact O-CE 3.24Å; T228-K261 PolarHBondContact O-NZ 3.31Å; D229-K261 PolarHBondContact O-NZ 3.23Å; D231-K261 PolarHBondContact O-NZ 2.94Å; P232-K261 VanDerWaalsContact O-CE 3.24Å; P232-K261 WeakPolarHBondContact O-CE 3.32Å; A233-K261 PolarHBondContact O-N 3.45Å; K261-G263 PolarHBondContact O-N 2.74Å; K261-A264 WeakPolarHBondContact O-CB 3.41Å; K261-A264 PolarHBondContact O-N 3.22Å; K261-A264 VanDerWaalsContact O-N 3.09Å
262	R	92.1	Very high	89.4	Confident	136 Å²	136	38.6 Å²	38.6	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	125.9	-177.3	-57.8	-175.5	-177.4	-122.8	6.6	111.7	V161 E223	V161-R262 HydrophobicContact CB-CG 3.93Å; V161-R262 WeakPolarHBondContact O-CG 3.37Å; V161-R262 PolarHBondContact O-NE 2.67Å; E223-R262 IonicContact OE1-CZ 2.66Å; E223-R262 IonicContact OE1-NE 2.58Å; E223-R262 PolarHBondContact OE1-NE 2.68Å; E223-R262 IonicContact OE1-NH2 3.34Å; E223-R262 PolarHBondContact OE1-NH2 3.06Å
263	G	89.7	Confident	89.1	Confident	34 Å²	34	39.3 Å²	39.3	35%	0.351	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	6.9	-178.8	0	0	0	0	0	116.1	E160 K261 R274	E160-G263 VanDerWaalsContact OE1-C 3.31Å; E160-G263 VanDerWaalsContact OE1-CA 3.28Å; E160-G263 WeakPolarHBondContact OE1-CA 3.33Å; E160-G263 PolarHBondContact OE1-N 3.27Å; E160-G263 PolarHBondContact OE2-N 3.26Å; K261-G263 PolarHBondContact O-N 2.74Å; G263-R274 WeakPolarHBondContact O-CD 3.44Å; G263-R274 PolarHBondContact O-NE 3.34Å; G263-R274 PolarHBondContact O-NH1 3.33Å
264	A	91.5	Very high	88.6	Confident	14 Å²	14	47.1 Å²	47.1	12%	0.116	27%	0.266	C	S	.	.			trans	-75.9	-30.5	175.5	0	0	0	0	0	112.9	E160 A233 C260 K261 R274	E160-A264 PolarHBondContact OE1-N 2.93Å; A233-A264 HydrophobicContact CB-CB 4.48Å; C260-A264 HydrophobicContact CB-CB 4.31Å; K261-A264 WeakPolarHBondContact O-CB 3.41Å; K261-A264 PolarHBondContact O-N 3.22Å; K261-A264 VanDerWaalsContact O-N 3.09Å; A264-R274 WeakPolarHBondContact O-CG 3.46Å; A264-R274 PolarHBondContact O-N 3.27Å
265	L	90.7	Very high	88.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-88.7	146.8	174	-61.5	-179.2	0	0	0	110.7	Q158 E160 C260 P271 Q272 R273 R274	Q158-L265 HydrophobicContact CB-CD1 4.07Å; E160-L265 HydrophobicContact CG-CB 4.21Å; E160-L265 HydrophobicContact CG-CD1 3.97Å; E160-L265 HydrophobicContact CG-CG 4.06Å; E160-L265 WeakPolarHBondContact OE1-CB 3.38Å; E160-L265 PolarHBondContact OE1-N 3.17Å; C260-L265 HydrophobicContact CB-CD1 4.43Å; C260-L265 HydrophobicContact CB-CG 4.17Å; L265-P271 HydrophobicContact CB-CB 4.28Å; L265-P271 HydrophobicContact CD1-CB 4.33Å; L265-P271 HydrophobicContact CD1-CG 4.47Å; L265-Q272 CarbonylContact C-O 3.58Å; L265-Q272 WeakPolarHBondContact CA-O 3.34Å; L265-R273 HydrophobicContact CD2-CG 3.75Å; L265-R274 PolarHBondContact O-NE 2.75Å; L265-R274 PolarHBondContact O-NH2 3.43Å
266	D	84.7	Confident	87.9	Confident	38 Å²	38	50.2 Å²	50.2	20%	0.203	28%	0.284	C	S	.	.			trans	-79.3	-175.1	172.7	76.8	9.3	0	0	0	113.2	N268 Q272 R274	D266-N268 WeakPolarHBondContact OD1-CB 3.48Å; D266-N268 PolarHBondContact OD1-N 3.31Å; D266-N268 PolarHBondContact OD2-ND2 3.08Å; D266-Q272 PolarHBondContact N-O 2.82Å; D266-Q272 PolarHBondContact OD1-N 2.79Å; D266-R274 HydrophobicContact CB-CG 4.22Å
267	G	73.8	Confident	87.6	Confident	79 Å²	79	53.8 Å²	53.8	81%	0.814	30%	0.302	S	S	*	.	S	Bend	trans	-98.1	19.1	178.8	0	0	0	0	0	114.2
268	N	76.9	Confident	87.3	Confident	99 Å²	99	57.3 Å²	57.3	53%	0.529	32%	0.319	S	S	.	.	S	Bend	trans	-83	177.8	178.1	-72.7	-43.5	0	0	0	111.6	D266 P270	D266-N268 WeakPolarHBondContact OD1-CB 3.48Å; D266-N268 PolarHBondContact OD1-N 3.31Å; D266-N268 PolarHBondContact OD2-ND2 3.08Å; N268-P270 CarbonylContact C-O 3.53Å; N268-P270 VanDerWaalsContact C-O 3.3Å; N268-P270 WeakPolarHBondContact CB-O 3.5Å; N268-P270 CarbonylContact O-C 3.58Å
269	S	69.1	Low	87	Confident	121 Å²	121	58.7 Å²	58.7	85%	0.846	33%	0.326	S	S	*	.	S	Bend	trans	-142.4	106.9	176.7	-57.6	0	0	0	0	108.9
270	P	74.3	Confident	87.1	Confident	95 Å²	95	59 Å²	59	62%	0.617	33%	0.328	S	S	*	.	S	Bend	cis	-61.3	153.5	-2.8	28.8	-36.5	0	0	0	112.7	N268	N268-P270 CarbonylContact C-O 3.53Å; N268-P270 VanDerWaalsContact C-O 3.3Å; N268-P270 WeakPolarHBondContact CB-O 3.5Å; N268-P270 CarbonylContact O-C 3.58Å
271	P	80.9	Confident	87.1	Confident	18 Å²	18	59.2 Å²	59.2	12%	0.117	33%	0.328	C	S	.	.			trans	-62.8	155.5	172.4	29	-36.2	0	0	0	111.2	Q158 L265	Q158-P271 HydrophobicContact CB-CG 4.22Å; Q158-P271 PolarHBondContact OE1-O 3.46Å; L265-P271 HydrophobicContact CB-CB 4.28Å; L265-P271 HydrophobicContact CD1-CB 4.33Å; L265-P271 HydrophobicContact CD1-CG 4.47Å
272	Q	84.5	Confident	87.3	Confident	121 Å²	121	56.7 Å²	56.7	57%	0.565	32%	0.317	S	S	*	.			trans	-131.1	149.5	172.3	-59.6	-172.4	-19.1	0	0	110.7	L265 D266	L265-Q272 CarbonylContact C-O 3.58Å; L265-Q272 WeakPolarHBondContact CA-O 3.34Å; D266-Q272 PolarHBondContact N-O 2.82Å; D266-Q272 PolarHBondContact OD1-N 2.79Å
273	R	90.4	Very high	87.6	Confident	15 Å²	15	50.3 Å²	50.3	6%	0.057	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-69.3	149.9	174.2	-83.5	173.5	67.8	179.3	8.4	111.9	C234 L265 D275 V276 D279 H347	C234-R273 VanDerWaalsContact SG-CD 3.6Å; L265-R273 HydrophobicContact CD2-CG 3.75Å; R273-D275 WeakPolarHBondContact CB-OD1 3.25Å; R273-D275 IonicContact CZ-OD1 3.94Å; R273-D275 IonicContact CZ-OD2 3.9Å; R273-D275 IonicContact NE-OD1 2.64Å; R273-D275 PolarHBondContact NE-OD1 2.73Å; R273-D275 IonicContact NE-OD2 3.47Å; R273-D275 PolarHBondContact NE-OD2 2.91Å; R273-D275 IonicContact NH2-OD1 4Å; R273-D275 IonicContact NH2-OD2 3.46Å; R273-D275 PolarHBondContact NH2-OD2 2.82Å; R273-V276 HydrophobicContact CB-CG2 3.89Å; R273-D279 VanDerWaalsContact CD-OD1 3.25Å; R273-D279 WeakPolarHBondContact CD-OD1 3.28Å; R273-D279 IonicContact CZ-OD1 3.82Å; R273-D279 IonicContact NE-OD1 2.91Å; R273-D279 IonicContact NH1-OD1 2.73Å; R273-D279 PolarHBondContact NH1-OD1 2.84Å; R273-H347 PolarHBondContact NH1-NE2 3.35Å
274	R	88.6	Confident	88	Confident	163 Å²	163	48.7 Å²	48.7	62%	0.615	28%	0.277	S	S	*	.	S	Bend	trans	-100.8	-13.5	-179.1	-58.3	179.5	-162.1	-176	8.4	113.8	G263 A264 L265 D266	G263-R274 WeakPolarHBondContact O-CD 3.44Å; G263-R274 PolarHBondContact O-NE 3.34Å; G263-R274 PolarHBondContact O-NH1 3.33Å; A264-R274 WeakPolarHBondContact O-CG 3.46Å; A264-R274 PolarHBondContact O-N 3.27Å; L265-R274 PolarHBondContact O-NE 2.75Å; L265-R274 PolarHBondContact O-NH2 3.43Å; D266-R274 HydrophobicContact CB-CG 4.22Å
275	D	90.2	Very high	88.2	Confident	50 Å²	50	48.4 Å²	48.4	27%	0.267	27%	0.274	S	S	.	.	S	Bend	trans	-96.8	-17.5	-173.5	62.9	-60.7	0	0	0	113.7	A233 R273 R343	A233-D275 HydrophobicContact CB-CB 4.41Å; A233-D275 VanDerWaalsContact CB-OD2 3.26Å; A233-D275 WeakPolarHBondContact CB-OD2 3.47Å; R273-D275 WeakPolarHBondContact CB-OD1 3.25Å; R273-D275 IonicContact CZ-OD1 3.94Å; R273-D275 IonicContact CZ-OD2 3.9Å; R273-D275 IonicContact NE-OD1 2.64Å; R273-D275 PolarHBondContact NE-OD1 2.73Å; R273-D275 IonicContact NE-OD2 3.47Å; R273-D275 PolarHBondContact NE-OD2 2.91Å; R273-D275 IonicContact NH2-OD1 4Å; R273-D275 IonicContact NH2-OD2 3.46Å; R273-D275 PolarHBondContact NH2-OD2 2.82Å; D275-R343 VanDerWaalsContact O-CD 3.26Å; D275-R343 WeakPolarHBondContact O-CD 3.45Å
276	V	91.9	Very high	88.6	Confident	17 Å²	17	48.6 Å²	48.6	10%	0.103	28%	0.275	C	S	.	.			trans	-125.1	157.6	176.6	-64.1	0	0	0	0	111.8	R273 R343 A345	R273-V276 HydrophobicContact CB-CG2 3.89Å; V276-R343 HydrophobicContact CB-CB 4.33Å; V276-R343 HydrophobicContact CG1-CB 4.06Å; V276-A345 HydrophobicContact CG1-CB 4.05Å; V276-A345 HydrophobicContact CG2-CB 4.43Å
277	D	90.1	Very high	89.2	Confident	74 Å²	74	47 Å²	47	40%	0.396	27%	0.267	S	S	.	.	S	Bend	trans	-85.8	-26.1	172.9	-77.3	-86.8	0	0	0	111.9	R342 R343	D277-R342 HydrophobicContact CB-CB 3.94Å; D277-R342 HydrophobicContact CB-CG 4.49Å; D277-R342 IonicContact OD1-CZ 3.1Å; D277-R342 IonicContact OD1-NH1 2.68Å; D277-R342 PolarHBondContact OD1-NH1 2.97Å; D277-R342 VanDerWaalsContact OD2-CB 3.26Å; D277-R342 WeakPolarHBondContact OD2-CB 3.34Å; D277-R342 WeakPolarHBondContact OD2-CD 3.12Å; D277-R342 IonicContact OD2-CZ 2.68Å; D277-R342 IonicContact OD2-NE 3.56Å; D277-R342 IonicContact OD2-NH1 2.98Å; D277-R342 PolarHBondContact OD2-NH1 3.04Å; D277-R343 PolarHBondContact N-O 2.97Å
278	H	90.4	Very high	90.3	Very high	74 Å²	74	44.7 Å²	44.7	34%	0.343	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.2	175.8	-67.7	-54.7	0	0	0	112.4	F280 V344 A345	H278-F280 HydrophobicContact CB-CE2 3.9Å; H278-F280 HydrophobicContact CB-CZ 4.07Å; H278-V344 WeakPolarHBondContact O-CA 3.31Å; H278-A345 PolarHBondContact O-N 3.39Å
279	D	91.4	Very high	91.3	Very high	30 Å²	30	40 Å²	40	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.5	166.1	-62.4	-77.1	0	0	0	109.4	R273 F281 A345 H347	R273-D279 VanDerWaalsContact CD-OD1 3.25Å; R273-D279 WeakPolarHBondContact CD-OD1 3.28Å; R273-D279 IonicContact CZ-OD1 3.82Å; R273-D279 IonicContact NE-OD1 2.91Å; R273-D279 IonicContact NH1-OD1 2.73Å; R273-D279 PolarHBondContact NH1-OD1 2.84Å; D279-F281 HydrophobicContact CB-CE2 4Å; D279-F281 HydrophobicContact CB-CZ 4.46Å; D279-A345 WeakPolarHBondContact OD1-CB 3.26Å; D279-H347 IonicContact OD1-CD2 3.15Å; D279-H347 IonicContact OD1-NE2 3.34Å; D279-H347 PolarHBondContact OD1-NE2 2.87Å
280	F	96.4	Very high	92.6	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.9	171.6	-63.5	-66.1	0	0	0	110.7	W149 H278 L336 M338 V344 A345 W346 H347	W149-F280 HydrophobicContact CD2-CD1 4.12Å; W149-F280 AromaticContact CE2-CD1 3.77Å; W149-F280 HydrophobicContact CE3-CD1 4.47Å; W149-F280 HydrophobicContact CH2-CD1 4.33Å; W149-F280 AromaticContact CZ2-CD1 3.9Å; W149-F280 HydrophobicContact CZ2-CD1 3.9Å; W149-F280 HydrophobicContact CZ2-CE1 4.34Å; W149-F280 AromaticContact NE1-CE1 3.88Å; H278-F280 HydrophobicContact CB-CE2 3.9Å; H278-F280 HydrophobicContact CB-CZ 4.07Å; F280-L336 HydrophobicContact CB-CD2 4.45Å; F280-L336 HydrophobicContact CD1-CD2 3.48Å; F280-L336 VanDerWaalsContact CD1-CD2 3.48Å; F280-L336 HydrophobicContact CE1-CD2 3.88Å; F280-L336 HydrophobicContact CG-CD2 4.03Å; F280-M338 HydrophobicContact CD2-CE 4.2Å; F280-M338 HydrophobicContact CE2-CB 4.28Å; F280-M338 HydrophobicContact CE2-CE 3.66Å; F280-M338 HydrophobicContact CZ-CE 4.39Å; F280-V344 HydrophobicContact CD2-CG1 3.55Å; F280-V344 HydrophobicContact CE2-CG1 3.75Å; F280-A345 PolarHBondContact N-O 2.85Å; F280-W346 HydrophobicContact CB-CD2 4.41Å; F280-W346 HydrophobicContact CB-CE3 3.6Å; F280-W346 HydrophobicContact CB-CH2 4.48Å; F280-W346 HydrophobicContact CB-CZ3 3.63Å; F280-W346 HydrophobicContact CD2-CE3 4.23Å; F280-W346 AromaticContact CD2-CH2 3.92Å; F280-W346 HydrophobicContact CD2-CH2 3.92Å; F280-W346 HydrophobicContact CD2-CZ2 4.23Å; F280-W346 AromaticContact CD2-CZ3 3.9Å; F280-W346 HydrophobicContact CD2-CZ3 3.9Å; F280-W346 HydrophobicContact CG-CE3 4.3Å; F280-W346 HydrophobicContact CG-CH2 4.38Å; F280-W346 AromaticContact CG-CZ3 3.97Å; F280-W346 HydrophobicContact CG-CZ3 3.97Å; F280-H347 PolarHBondContact O-N 2.92Å
281	F	97.3	Very high	93.7	Very high	4 Å²	4	33 Å²	33	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.2	179.9	-62.1	-94.8	0	0	0	108.8	W149 L150 V156 P256 I258 D279 N326 H347 F349	W149-F281 AromaticContact CH2-CD2 3.96Å; W149-F281 HydrophobicContact CH2-CD2 3.96Å; W149-F281 HydrophobicContact CZ3-CB 4.19Å; W149-F281 HydrophobicContact CZ3-CD2 4.1Å; L150-F281 HydrophobicContact CD1-CB 4.23Å; V156-F281 HydrophobicContact CB-CE2 4.45Å; V156-F281 HydrophobicContact CG1-CD2 4.41Å; V156-F281 HydrophobicContact CG1-CE1 3.9Å; V156-F281 HydrophobicContact CG1-CE2 3.7Å; V156-F281 HydrophobicContact CG1-CZ 3.41Å; V156-F281 VanDerWaalsContact CG1-CZ 3.41Å; V156-F281 HydrophobicContact CG2-CD2 3.9Å; V156-F281 HydrophobicContact CG2-CE2 3.87Å; V156-F281 HydrophobicContact CG2-CG 4.45Å; V156-F281 HydrophobicContact CG2-CZ 4.38Å; P256-F281 HydrophobicContact CB-CB 4.46Å; P256-F281 HydrophobicContact CB-CD1 3.41Å; P256-F281 VanDerWaalsContact CB-CD1 3.41Å; P256-F281 HydrophobicContact CB-CE1 3.97Å; P256-F281 HydrophobicContact CB-CG 4.12Å; P256-F281 HydrophobicContact CG-CB 4.28Å; P256-F281 HydrophobicContact CG-CD1 3.8Å; P256-F281 HydrophobicContact CG-CE1 4.41Å; P256-F281 HydrophobicContact CG-CG 4.03Å; I258-F281 HydrophobicContact CG2-CE1 3.68Å; I258-F281 HydrophobicContact CG2-CZ 4.05Å; D279-F281 HydrophobicContact CB-CE2 4Å; D279-F281 HydrophobicContact CB-CZ 4.46Å; F281-N326 PolarHBondContact O-ND2 2.83Å; F281-H347 WeakPolarHBondContact CA-O 3.29Å; F281-H347 HydrophobicContact CD1-CB 3.29Å; F281-H347 AromaticContact CD1-CG 3.82Å; F281-H347 HydrophobicContact CE1-CB 3.44Å; F281-H347 VanDerWaalsContact CE1-CB 3.44Å; F281-H347 AromaticContact CE1-CD2 3.59Å; F281-H347 AromaticContact CE1-CG 3.38Å; F281-H347 HydrophobicContact CG-CB 4.02Å; F281-H347 HydrophobicContact CZ-CB 4.25Å; F281-H347 AromaticContact CZ-CD2 3.55Å; F281-H347 AromaticContact CZ-CG 3.87Å; F281-F349 HydrophobicContact CB-CE1 4.5Å
282	L	98	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.6	178.5	-56.6	179.8	0	0	0	110.6	F284 I325 N326 L333 L336 W346 H347 L348 F349 F362	L282-F284 HydrophobicContact CB-CD2 4.27Å; L282-F284 HydrophobicContact CB-CE2 3.81Å; L282-F284 HydrophobicContact CD1-CE2 4.07Å; L282-F284 HydrophobicContact CD1-CZ 4.42Å; L282-I325 HydrophobicContact CB-CG2 4.28Å; L282-I325 HydrophobicContact CD2-CG2 3.87Å; L282-I325 HydrophobicContact CG-CG2 4.47Å; L282-N326 WeakPolarHBondContact CA-OD1 3.46Å; L282-L333 HydrophobicContact CD2-CD2 4.28Å; L282-L336 HydrophobicContact CD2-CD1 4.25Å; L282-W346 HydrophobicContact CD1-CE3 3.9Å; L282-W346 HydrophobicContact CD1-CZ3 3.81Å; L282-W346 HydrophobicContact CG-CE3 4.31Å; L282-W346 HydrophobicContact CG-CZ3 4.31Å; L282-H347 PolarHBondContact N-O 3.01Å; L282-L348 HydrophobicContact CB-CD2 3.78Å; L282-L348 HydrophobicContact CD1-CD2 3.85Å; L282-L348 HydrophobicContact CG-CD2 4.07Å; L282-F349 PolarHBondContact O-N 3.45Å; L282-F349 VanDerWaalsContact O-N 3.08Å; L282-F362 HydrophobicContact CD1-CZ 4.33Å
283	L	98.1	Very high	95	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.1	159.6	173.5	61.8	0	0	0	109.1	F152 L153 I254 I325 N326 F349 M351	F152-L283 HydrophobicContact CE2-CD2 4.24Å; F152-L283 HydrophobicContact CZ-CD2 4.22Å; L153-L283 HydrophobicContact CD1-CB 4.2Å; L153-L283 HydrophobicContact CD2-CB 3.93Å; L153-L283 HydrophobicContact CD2-CD2 3.75Å; L153-L283 HydrophobicContact CD2-CG 4.48Å; I254-L283 HydrophobicContact CD1-CD1 4.47Å; I254-L283 HydrophobicContact CG2-CD2 4.09Å; L283-I325 WeakPolarHBondContact O-CA 3.1Å; L283-N326 PolarHBondContact N-OD1 2.89Å; L283-N326 PolarHBondContact O-N 2.96Å; L283-F349 WeakPolarHBondContact CA-O 3.44Å; L283-F349 HydrophobicContact CB-CD2 4.16Å; L283-F349 HydrophobicContact CB-CE2 3.66Å; L283-F349 HydrophobicContact CB-CZ 3.97Å; L283-F349 HydrophobicContact CD1-CD2 3.67Å; L283-F349 HydrophobicContact CD1-CE2 3.78Å; L283-F349 HydrophobicContact CG-CD2 4.49Å; L283-F349 HydrophobicContact CG-CE2 4.19Å; L283-M351 HydrophobicContact CD1-CB 3.7Å
284	F	98	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.5	163.3	-73.6	-105.8	0	0	0	108.1	L282 I325 L348 F349 G350 M351 H358 A360 I379 V399 C401 M411	L282-F284 HydrophobicContact CB-CD2 4.27Å; L282-F284 HydrophobicContact CB-CE2 3.81Å; L282-F284 HydrophobicContact CD1-CE2 4.07Å; L282-F284 HydrophobicContact CD1-CZ 4.42Å; F284-I325 HydrophobicContact CD1-CD1 4.34Å; F284-I325 HydrophobicContact CD1-CG1 4.08Å; F284-I325 HydrophobicContact CE1-CD1 3.63Å; F284-I325 HydrophobicContact CE1-CG1 3.85Å; F284-I325 HydrophobicContact CZ-CD1 3.89Å; F284-I325 HydrophobicContact CZ-CG1 4.25Å; F284-L348 HydrophobicContact CE2-CD2 4.44Å; F284-F349 PolarHBondContact N-O 2.76Å; F284-G350 WeakPolarHBondContact O-CA 3.45Å; F284-M351 PolarHBondContact O-N 3.33Å; F284-H358 HydrophobicContact CB-CB 4.1Å; F284-A360 HydrophobicContact CD1-CB 4.35Å; F284-A360 HydrophobicContact CD2-CB 4.46Å; F284-A360 HydrophobicContact CE1-CB 3.71Å; F284-A360 HydrophobicContact CE2-CB 3.84Å; F284-A360 HydrophobicContact CZ-CB 3.43Å; F284-A360 VanDerWaalsContact CZ-CB 3.43Å; F284-I379 HydrophobicContact CD2-CD1 3.78Å; F284-I379 HydrophobicContact CE2-CD1 4.26Å; F284-I379 HydrophobicContact CG-CD1 4.23Å; F284-V399 HydrophobicContact CZ-CG2 4.31Å; F284-C401 HydrophobicContact CD1-CB 4.43Å; F284-M411 HydrophobicContact CB-SD 4.34Å; F284-M411 HydrophobicContact CD1-CG 4.07Å; F284-M411 HydrophobicContact CD1-SD 3.78Å
285	S	97.3	Very high	95.7	Very high	8 Å²	8	21.8 Å²	21.8	6%	0.056	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	136.4	-174.4	-178.6	0	0	0	0	112	V287 A324 M351 D356 M411	S285-V287 PolarHBondContact O-N 3.31Å; S285-A324 PolarHBondContact N-O 3.23Å; S285-A324 PolarHBondContact O-N 2.83Å; S285-M351 WeakPolarHBondContact CA-O 3.25Å; S285-M351 WeakPolarHBondContact CB-O 3.44Å; S285-M351 PolarHBondContact OG-O 3.42Å; S285-D356 WeakPolarHBondContact CA-OD1 3.18Å; S285-M411 WeakPolarHBondContact O-CE 3.39Å
286	V	97.6	Very high	96	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	87	161.3	-175.6	0	0	0	0	107.2	D288 K321 V355 D356 M411	V286-D288 PolarHBondContact O-N 3.12Å; V286-K321 HydrophobicContact CG1-CB 3.78Å; V286-K321 HydrophobicContact CG1-CD 4.33Å; V286-K321 HydrophobicContact CG1-CG 4.3Å; V286-V355 HydrophobicContact CB-CG2 4.11Å; V286-V355 HydrophobicContact CG1-CG2 4.29Å; V286-V355 HydrophobicContact CG2-CG2 4.14Å; V286-D356 PolarHBondContact N-OD1 2.71Å; V286-M411 HydrophobicContact CG2-CE 4.15Å
287	V	97.7	Very high	96.2	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	96	-173.5	-172.2	0	0	0	0	109.3	Y93 F152 S285 E289 M322 A324	Y93-V287 HydrophobicContact CE1-CB 4.35Å; Y93-V287 VanDerWaalsContact OH-CG1 3.24Å; Y93-V287 WeakPolarHBondContact OH-CG1 3.32Å; F152-V287 HydrophobicContact CE1-CG2 4.11Å; F152-V287 HydrophobicContact CZ-CG1 4.45Å; F152-V287 HydrophobicContact CZ-CG2 3.96Å; S285-V287 PolarHBondContact O-N 3.31Å; V287-E289 PolarHBondContact O-N 2.88Å; V287-M322 HydrophobicContact CB-CB 4.35Å; V287-M322 PolarHBondContact N-O 3.17Å; V287-M322 PolarHBondContact O-N 3.12Å; V287-A324 HydrophobicContact CG2-CB 4.45Å
288	D	97.6	Very high	96.6	Very high	29 Å²	29	24.1 Å²	24.1	16%	0.155	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.3	-179.6	-170.6	-58.6	0	0	0	111.3	V286 N290 L291 K321	V286-D288 PolarHBondContact O-N 3.12Å; D288-N290 VanDerWaalsContact CG-ND2 3.33Å; D288-N290 PolarHBondContact O-N 3.25Å; D288-N290 VanDerWaalsContact OD1-CA 3.26Å; D288-N290 WeakPolarHBondContact OD1-CA 3.05Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.07Å; D288-N290 PolarHBondContact OD1-ND2 2.92Å; D288-N290 PolarHBondContact OD2-ND2 3.34Å; D288-N290 VanDerWaalsContact OD2-ND2 3.14Å; D288-L291 HydrophobicContact CB-CD1 4.37Å; D288-L291 PolarHBondContact OD1-N 3.5Å; D288-K321 HydrophobicContact CB-CG 4.28Å; D288-K321 VanDerWaalsContact OD2-CE 3.26Å; D288-K321 WeakPolarHBondContact OD2-CE 3.38Å; D288-K321 WeakPolarHBondContact OD2-CG 3.34Å
289	E	97.8	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.8	178.3	-67.2	-87.4	-156.7	0	0	113.5	Y93 Y127 K129 V287 S292 N320	Y93-E289 PolarHBondContact OH-OE1 2.68Å; Y127-E289 WeakPolarHBondContact CB-OE1 2.95Å; Y127-E289 HydrophobicContact CD1-CB 3.59Å; Y127-E289 HydrophobicContact CD1-CG 3.5Å; Y127-E289 HydrophobicContact CD2-CG 4.22Å; Y127-E289 HydrophobicContact CE1-CB 3.41Å; Y127-E289 VanDerWaalsContact CE1-CB 3.41Å; Y127-E289 HydrophobicContact CE1-CG 3.65Å; Y127-E289 HydrophobicContact CE2-CG 4.33Å; Y127-E289 HydrophobicContact CG-CB 4.41Å; Y127-E289 HydrophobicContact CG-CG 3.83Å; K129-E289 WeakPolarHBondContact CD-OE1 3.4Å; K129-E289 IonicContact NZ-OE1 3.68Å; K129-E289 PolarHBondContact NZ-OE1 2.89Å; K129-E289 IonicContact NZ-OE2 3.93Å; K129-E289 PolarHBondContact NZ-OE2 3.01Å; V287-E289 PolarHBondContact O-N 2.88Å; E289-S292 VanDerWaalsContact O-CB 3.23Å; E289-S292 WeakPolarHBondContact O-CB 3.01Å; E289-S292 WeakPolarHBondContact OE2-CB 3.29Å; E289-S292 PolarHBondContact OE2-OG 2.75Å; E289-N320 HydrophobicContact CB-CB 4.27Å; E289-N320 PolarHBondContact N-O 3.37Å
290	N	96.9	Very high	97.2	Very high	25 Å²	25	23 Å²	23	13%	0.134	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-37.4	170.7	-45.2	-73.2	0	0	0	111	D288 S292 Q317 N320	D288-N290 VanDerWaalsContact CG-ND2 3.33Å; D288-N290 PolarHBondContact O-N 3.25Å; D288-N290 VanDerWaalsContact OD1-CA 3.26Å; D288-N290 WeakPolarHBondContact OD1-CA 3.05Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.07Å; D288-N290 PolarHBondContact OD1-ND2 2.92Å; D288-N290 PolarHBondContact OD2-ND2 3.34Å; D288-N290 VanDerWaalsContact OD2-ND2 3.14Å; N290-S292 VanDerWaalsContact C-N 3.3Å; N290-Q317 PolarHBondContact ND2-O 2.81Å; N290-Q317 WeakPolarHBondContact OD1-CA 3.38Å; N290-N320 WeakPolarHBondContact OD1-CB 3.44Å; N290-N320 PolarHBondContact OD1-ND2 3.32Å
291	L	95.9	Very high	97.1	Very high	44 Å²	44	27 Å²	27	23%	0.23	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.7	174.1	-63.2	177.2	0	0	0	112.8	R247 A250 D288 T1103	R247-L291 PolarHBondContact NE-O 3.1Å; R247-L291 PolarHBondContact NH2-O 3.02Å; A250-L291 HydrophobicContact CB-CB 3.86Å; D288-L291 HydrophobicContact CB-CD1 4.37Å; D288-L291 PolarHBondContact OD1-N 3.5Å; L291-T1103 HydrophobicContact CD1-CG2 3.78Å
292	S	96.8	Very high	97	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	16%	0.158	C	C	.	.	S	Bend	trans	-49.4	134.2	-179.6	-167.6	0	0	0	0	113.2	E289 N290 H294 L295	E289-S292 VanDerWaalsContact O-CB 3.23Å; E289-S292 WeakPolarHBondContact O-CB 3.01Å; E289-S292 WeakPolarHBondContact OE2-CB 3.29Å; E289-S292 PolarHBondContact OE2-OG 2.75Å; N290-S292 VanDerWaalsContact C-N 3.3Å; S292-H294 PolarHBondContact O-N 2.9Å; S292-L295 PolarHBondContact O-N 3.1Å
293	W	96.7	Very high	96.9	Very high	65 Å²	65	29.5 Å²	29.5	25%	0.246	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.7	178.2	-72.4	117.5	0	0	0	113.6	R175 Y177 D244 R247 D248 T251	R175-W293 VanDerWaalsContact NH2-CE2 3.35Å; R175-W293 VanDerWaalsContact NH2-CZ3 3.35Å; Y177-W293 AromaticContact CE1-CD1 3.82Å; D244-W293 HydrophobicContact CB-CZ2 3.88Å; R247-W293 HydrophobicContact CB-CD2 4.46Å; R247-W293 HydrophobicContact CB-CZ2 3.95Å; R247-W293 HydrophobicContact CG-CZ2 4.49Å; D248-W293 PolarHBondContact OD1-NE1 2.92Å; T251-W293 HydrophobicContact CG2-CB 4.28Å; T251-W293 VanDerWaalsContact OG1-CD1 3.23Å; T251-W293 PolarHBondContact OG1-N 3.13Å
294	H	97.4	Very high	96.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7.8	179.4	-54.6	-64.4	0	0	0	114.3	D88 K128 T130 S292 D296 E297 N298	D88-H294 IonicContact OD1-CE1 2.61Å; D88-H294 IonicContact OD1-NE2 2.74Å; D88-H294 IonicContact OD2-CE1 2.85Å; K128-H294 HydrophobicContact CB-CB 4.16Å; K128-H294 HydrophobicContact CD-CB 4.16Å; K128-H294 WeakPolarHBondContact CE-ND1 3.42Å; K128-H294 HydrophobicContact CG-CB 4.37Å; K128-H294 PolarHBondContact NZ-CE1 2.88Å; K128-H294 PolarHBondContact NZ-ND1 3.1Å; K128-H294 PolarHBondContact O-CD2 3.3Å; T130-H294 PolarHBondContact OG1-NE2 3.41Å; S292-H294 PolarHBondContact O-N 2.9Å; H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 PolarHBondContact O-N 2.93Å; H294-E297 HydrophobicContact CB-CB 4.49Å; H294-E297 WeakPolarHBondContact O-CA 3.43Å; H294-E297 PolarHBondContact O-N 2.81Å; H294-N298 PolarHBondContact O-N 3.34Å; H294-N298 PolarHBondContact O-ND2 2.86Å
295	L	97.1	Very high	96.5	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-47.7	-50.9	-177.2	175.8	64.1	0	0	0	112.8	I123 S292 E297 N298 I299 K311 F316	I123-L295 HydrophobicContact CD1-CD1 4.15Å; S292-L295 PolarHBondContact O-N 3.1Å; L295-E297 PolarHBondContact O-N 3.15Å; L295-N298 PolarHBondContact O-N 3.28Å; L295-I299 HydrophobicContact CD1-CD1 3.87Å; L295-I299 HydrophobicContact CD1-CG1 4.15Å; L295-I299 HydrophobicContact CD2-CD1 4.41Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.47Å; L295-I299 WeakPolarHBondContact O-CG1 3.34Å; L295-I299 PolarHBondContact O-N 2.69Å; L295-K311 HydrophobicContact CD2-CD 4.12Å; L295-F316 HydrophobicContact CD1-CE1 4.38Å; L295-F316 HydrophobicContact CD1-CZ 4.14Å
296	D	96.6	Very high	96.3	Very high	100 Å²	100	39.9 Å²	39.9	54%	0.535	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-33.6	-179.9	-75.3	-65.1	0	0	0	113.4	H294 A300 K311	H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 PolarHBondContact O-N 2.93Å; D296-A300 VanDerWaalsContact O-CB 3.27Å; D296-A300 WeakPolarHBondContact O-CB 3.4Å; D296-A300 PolarHBondContact O-N 2.86Å; D296-K311 VanDerWaalsContact OD1-CE 3.29Å; D296-K311 WeakPolarHBondContact OD1-CE 3.21Å; D296-K311 IonicContact OD1-NZ 2.74Å; D296-K311 PolarHBondContact OD1-NZ 3.05Å; D296-K311 IonicContact OD2-NZ 2.69Å; D296-K311 PolarHBondContact OD2-NZ 3.2Å
297	E	96.1	Very high	96.1	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-67.1	-37.8	171.8	-68.8	-168.5	-145.9	0	0	111.2	K128 H294 L295 A300 T301	K128-E297 HydrophobicContact CD-CB 4.5Å; K128-E297 WeakPolarHBondContact CD-OE2 3.34Å; K128-E297 WeakPolarHBondContact CE-OE2 3.34Å; K128-E297 IonicContact NZ-OE1 3.66Å; K128-E297 PolarHBondContact NZ-OE1 2.8Å; K128-E297 VanDerWaalsContact NZ-OE1 3.08Å; K128-E297 IonicContact NZ-OE2 3.49Å; K128-E297 PolarHBondContact NZ-OE2 3.27Å; H294-E297 HydrophobicContact CB-CB 4.49Å; H294-E297 WeakPolarHBondContact O-CA 3.43Å; H294-E297 PolarHBondContact O-N 2.81Å; L295-E297 PolarHBondContact O-N 3.15Å; E297-A300 PolarHBondContact O-N 2.67Å; E297-T301 WeakPolarHBondContact O-CB 3.42Å; E297-T301 PolarHBondContact O-N 2.66Å; E297-T301 PolarHBondContact O-OG1 3.42Å
298	N	97.4	Very high	95.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-46.2	178.2	-70.8	-34.4	0	0	0	111.6	I123 Y127 K128 H294 L295 A300 T301 Y302	I123-N298 HydrophobicContact CD1-CB 3.97Å; I123-N298 HydrophobicContact CG2-CB 4.37Å; Y127-N298 HydrophobicContact CD1-CB 4.31Å; K128-N298 WeakPolarHBondContact CB-OD1 3.38Å; K128-N298 PolarHBondContact N-OD1 3.36Å; K128-N298 PolarHBondContact O-ND2 2.79Å; H294-N298 PolarHBondContact O-N 3.34Å; H294-N298 PolarHBondContact O-ND2 2.86Å; L295-N298 PolarHBondContact O-N 3.28Å; N298-A300 VanDerWaalsContact C-N 3.34Å; N298-A300 PolarHBondContact O-N 3.01Å; N298-T301 PolarHBondContact O-N 2.88Å; N298-Y302 HydrophobicContact CB-CD2 4.28Å; N298-Y302 WeakPolarHBondContact O-CD2 3.47Å; N298-Y302 PolarHBondContact O-N 2.91Å
299	I	97.4	Very high	95.6	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-54.8	-50.3	171.6	-70.8	166.3	0	0	0	110.1	I123 L295 T301 C303 P306 V309 F316	I123-I299 HydrophobicContact CD1-CG1 4.11Å; I123-I299 HydrophobicContact CG1-CG1 4.49Å; L295-I299 HydrophobicContact CD1-CD1 3.87Å; L295-I299 HydrophobicContact CD1-CG1 4.15Å; L295-I299 HydrophobicContact CD2-CD1 4.41Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.47Å; L295-I299 WeakPolarHBondContact O-CG1 3.34Å; L295-I299 PolarHBondContact O-N 2.69Å; I299-T301 VanDerWaalsContact C-N 3.27Å; I299-T301 PolarHBondContact O-N 2.94Å; I299-C303 VanDerWaalsContact O-CB 3.29Å; I299-C303 WeakPolarHBondContact O-CB 3.47Å; I299-C303 PolarHBondContact O-N 2.96Å; I299-P306 HydrophobicContact CG2-CB 3.96Å; I299-V309 HydrophobicContact CD1-CG1 4.05Å; I299-V309 HydrophobicContact CG1-CG1 4.41Å; I299-V309 HydrophobicContact CG2-CB 4.31Å; I299-V309 HydrophobicContact CG2-CG2 4.02Å; I299-F316 HydrophobicContact CD1-CE1 4.33Å; I299-F316 HydrophobicContact CD1-CZ 3.84Å; I299-F316 HydrophobicContact CG1-CZ 3.86Å
300	A	96.3	Very high	95.5	Very high	69 Å²	69	50.8 Å²	50.8	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-69	-20.2	-178.6	0	0	0	0	0	114.5	D296 E297 N298	D296-A300 VanDerWaalsContact O-CB 3.27Å; D296-A300 WeakPolarHBondContact O-CB 3.4Å; D296-A300 PolarHBondContact O-N 2.86Å; E297-A300 PolarHBondContact O-N 2.67Å; N298-A300 VanDerWaalsContact C-N 3.34Å; N298-A300 PolarHBondContact O-N 3.01Å
301	T	95.8	Very high	95.3	Very high	89 Å²	89	52.8 Å²	52.8	55%	0.546	31%	0.31	S	S	.	.	H	α-helix	trans	-94.8	-38.3	-177	-60	0	0	0	0	113.2	E297 N298 I299	E297-T301 WeakPolarHBondContact O-CB 3.42Å; E297-T301 PolarHBondContact O-N 2.66Å; E297-T301 PolarHBondContact O-OG1 3.42Å; N298-T301 PolarHBondContact O-N 2.88Å; I299-T301 VanDerWaalsContact C-N 3.27Å; I299-T301 PolarHBondContact O-N 2.94Å
302	Y	95.6	Very high	95.1	Very high	49 Å²	49	57.5 Å²	57.5	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-115.9	-28.6	-167.1	-56.9	-70.5	0	0	0	114.7	I123 I126 N298	I123-Y302 HydrophobicContact CG2-CD2 3.89Å; I123-Y302 HydrophobicContact CG2-CG 4.25Å; I126-Y302 HydrophobicContact CB-CE1 4.23Å; I126-Y302 HydrophobicContact CG2-CE1 3.96Å; I126-Y302 WeakPolarHBondContact O-CD2 3.07Å; I126-Y302 WeakPolarHBondContact O-CE2 3.38Å; N298-Y302 HydrophobicContact CB-CD2 4.28Å; N298-Y302 WeakPolarHBondContact O-CD2 3.47Å; N298-Y302 PolarHBondContact O-N 2.91Å
303	C	95.2	Very high	95	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.054	34%	0.341	C	S	.	.			trans	-71.7	132.8	173.5	-65.1	0	0	0	0	109.9	K120 R122 I299 P306 V309	K120-C303 WeakPolarHBondContact O-CB 3.41Å; R122-C303 VanDerWaalsContact C-SG 3.52Å; I299-C303 VanDerWaalsContact O-CB 3.29Å; I299-C303 WeakPolarHBondContact O-CB 3.47Å; I299-C303 PolarHBondContact O-N 2.96Å; C303-P306 HydrophobicContact CB-CG 4.38Å; C303-P306 WeakPolarHBondContact O-CD 3.13Å; C303-P306 WeakPolarHBondContact O-CG 3.46Å; C303-V309 HydrophobicContact CB-CG2 4.23Å
304	S	93.7	Very high	94.7	Very high	94 Å²	94	63.8 Å²	63.8	66%	0.657	36%	0.364	S	S	*	.	S	Bend	trans	-80.8	-13	-177.2	63.4	0	0	0	0	114.8	D119 K120	D119-S304 PolarHBondContact O-N 2.93Å; D119-S304 PolarHBondContact O-OG 3.45Å; K120-S304 VanDerWaalsContact CA-OG 3.28Å; K120-S304 WeakPolarHBondContact CA-OG 3.16Å; K120-S304 PolarHBondContact N-OG 3.22Å
305	D	94.1	Very high	94.5	Very high	79 Å²	79	67.6 Å²	67.6	42%	0.422	39%	0.387	S	S	.	.	S	Bend	trans	-138	81.2	164	-175.1	1.9	0	0	0	110	K120 A307 S308	K120-D305 HydrophobicContact CB-CB 4.22Å; K120-D305 CarbonylContact O-C 3.6Å; K120-D305 VanDerWaalsContact O-C 3.31Å; K120-D305 PolarHBondContact O-N 2.84Å; K120-D305 VanDerWaalsContact O-O 3.04Å; D305-A307 PolarHBondContact O-N 2.68Å; D305-A307 VanDerWaalsContact O-N 3.07Å; D305-A307 PolarHBondContact OD1-N 3.41Å; D305-S308 WeakPolarHBondContact O-CB 3.35Å; D305-S308 PolarHBondContact O-N 2.86Å; D305-S308 PolarHBondContact O-OG 3.25Å
306	P	92.7	Very high	94.4	Very high	56 Å²	56	66.9 Å²	66.9	36%	0.364	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-57.6	-23.2	-177.4	-27.5	36.9	0	0	0	114.5	I299 C303 S308	I299-P306 HydrophobicContact CG2-CB 3.96Å; C303-P306 HydrophobicContact CB-CG 4.38Å; C303-P306 WeakPolarHBondContact O-CD 3.13Å; C303-P306 WeakPolarHBondContact O-CG 3.46Å; P306-S308 PolarHBondContact O-N 3.44Å
307	A	92.5	Very high	94.4	Very high	100 Å²	100	65.1 Å²	65.1	83%	0.826	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-79.3	-4.8	176.8	0	0	0	0	0	113.3	D305	D305-A307 PolarHBondContact O-N 2.68Å; D305-A307 VanDerWaalsContact O-N 3.07Å; D305-A307 PolarHBondContact OD1-N 3.41Å
308	S	92.3	Very high	94.3	Very high	42 Å²	42	64.2 Å²	64.2	29%	0.294	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-100.9	1.2	174.4	77.1	0	0	0	0	114	D305 P306	D305-S308 WeakPolarHBondContact O-CB 3.35Å; D305-S308 PolarHBondContact O-N 2.86Å; D305-S308 PolarHBondContact O-OG 3.25Å; P306-S308 PolarHBondContact O-N 3.44Å
309	V	93.8	Very high	94.3	Very high	28 Å²	28	64.6 Å²	64.6	17%	0.17	37%	0.37	C	S	.	.			trans	-81	119.4	174.1	176.2	0	0	0	0	109.2	N121 I299 C303 F316	N121-V309 HydrophobicContact CB-CG2 3.98Å; I299-V309 HydrophobicContact CD1-CG1 4.05Å; I299-V309 HydrophobicContact CG1-CG1 4.41Å; I299-V309 HydrophobicContact CG2-CB 4.31Å; I299-V309 HydrophobicContact CG2-CG2 4.02Å; C303-V309 HydrophobicContact CB-CG2 4.23Å; V309-F316 HydrophobicContact CG1-CD1 4.17Å; V309-F316 HydrophobicContact CG1-CD2 4.17Å; V309-F316 HydrophobicContact CG1-CE1 3.86Å; V309-F316 HydrophobicContact CG1-CE2 3.86Å; V309-F316 HydrophobicContact CG1-CG 4.31Å; V309-F316 HydrophobicContact CG1-CZ 3.69Å
310	D	94.4	Very high	94.3	Very high	98 Å²	98	64 Å²	64	52%	0.524	37%	0.367	S	S	.	.			trans	-90	139.2	155.9	-159.4	-28.9	0	0	0	107.8	E312 D313 F316	D310-E312 PolarHBondContact OD1-N 3.29Å; D310-D313 HydrophobicContact CB-CB 4.09Å; D310-F316 WeakPolarHBondContact O-CD1 3.23Å
311	K	94.3	Very high	94.3	Very high	68 Å²	68	62.8 Å²	62.8	30%	0.296	35%	0.349	S	S	.	.	S	Bend	trans	-87.8	-20.8	177.1	-70	-172.7	-179.1	-177.9	0	112.1	L295 D296 F316 Q317	L295-K311 HydrophobicContact CD2-CD 4.12Å; D296-K311 VanDerWaalsContact OD1-CE 3.29Å; D296-K311 WeakPolarHBondContact OD1-CE 3.21Å; D296-K311 IonicContact OD1-NZ 2.74Å; D296-K311 PolarHBondContact OD1-NZ 3.05Å; D296-K311 IonicContact OD2-NZ 2.69Å; D296-K311 PolarHBondContact OD2-NZ 3.2Å; K311-F316 HydrophobicContact CG-CE1 4.5Å; K311-Q317 VanDerWaalsContact O-CG 3.23Å; K311-Q317 WeakPolarHBondContact O-CG 3.41Å; K311-Q317 PolarHBondContact O-NE2 2.58Å
312	E	91.6	Very high	94.4	Very high	143 Å²	143	58.6 Å²	58.6	67%	0.668	32%	0.324	S	S	*	.	S	Bend	trans	-93.2	0.9	179	-39.6	-45.9	134.6	0	0	111.8	D310 E314	D310-E312 PolarHBondContact OD1-N 3.29Å; E312-E314 PolarHBondContact O-N 3.29Å; E312-E314 VanDerWaalsContact O-N 3.13Å
313	D	93.7	Very high	94.5	Very high	42 Å²	42	56.7 Å²	56.7	23%	0.225	32%	0.316	C	S	.	.			trans	-65.8	104.8	167.1	168	32	0	0	0	109.2	R122 D310 T315 F316 Q317	R122-D313 IonicContact CZ-OD2 2.76Å; R122-D313 IonicContact NH1-OD2 2.82Å; R122-D313 PolarHBondContact NH1-OD2 2.96Å; R122-D313 IonicContact NH2-OD2 3.85Å; D310-D313 HydrophobicContact CB-CB 4.09Å; D313-T315 PolarHBondContact O-N 2.9Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 2.95Å; D313-T315 PolarHBondContact OD1-OG1 3.15Å; D313-T315 PolarHBondContact OD2-OG1 2.58Å; D313-T315 VanDerWaalsContact OD2-OG1 3.08Å; D313-F316 HydrophobicContact CB-CB 3.92Å; D313-F316 WeakPolarHBondContact O-CA 3.38Å; D313-F316 VanDerWaalsContact O-CB 3.32Å; D313-F316 WeakPolarHBondContact O-CB 3.37Å; D313-F316 PolarHBondContact O-N 3.17Å; D313-F316 WeakPolarHBondContact OD2-CB 3.26Å; D313-F316 PolarHBondContact OD2-N 2.8Å; D313-F316 VanDerWaalsContact OD2-N 3.12Å; D313-Q317 PolarHBondContact O-N 3.04Å
314	E	91.5	Very high	94.6	Very high	156 Å²	156	56.3 Å²	56.3	73%	0.729	31%	0.314	S	S	*	.	H	α-helix	trans	-43.6	-41.2	173.1	-61	-179.1	150.4	0	0	111.8	E312 F316 Q317 E318	E312-E314 PolarHBondContact O-N 3.29Å; E312-E314 VanDerWaalsContact O-N 3.13Å; E314-F316 VanDerWaalsContact C-N 3.27Å; E314-F316 PolarHBondContact O-N 3.09Å; E314-Q317 PolarHBondContact O-N 2.83Å; E314-E318 VanDerWaalsContact O-CB 3.28Å; E314-E318 WeakPolarHBondContact O-CB 3.47Å; E314-E318 PolarHBondContact O-N 2.92Å
315	T	92.8	Very high	94.8	Very high	81 Å²	81	51.9 Å²	51.9	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-75.3	-18.3	-175	74.9	0	0	0	0	112.6	R122 D313	R122-T315 VanDerWaalsContact CZ-C 3.48Å; R122-T315 PolarHBondContact NE-O 3.27Å; R122-T315 VanDerWaalsContact NH2-CB 3.32Å; R122-T315 PolarHBondContact NH2-O 3.13Å; R122-T315 PolarHBondContact NH2-OG1 3.33Å; D313-T315 PolarHBondContact O-N 2.9Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 2.95Å; D313-T315 PolarHBondContact OD1-OG1 3.15Å; D313-T315 PolarHBondContact OD2-OG1 2.58Å; D313-T315 VanDerWaalsContact OD2-OG1 3.08Å
316	F	95.7	Very high	95	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-80.2	-50.9	165.9	171.9	-107.8	0	0	0	110.3	N121 I123 L295 I299 V309 D310 K311 D313 E314 E318 S319 N320	N121-F316 WeakPolarHBondContact O-CD2 3.38Å; I123-F316 HydrophobicContact CD1-CE2 4.29Å; I123-F316 HydrophobicContact CD1-CZ 4.22Å; I123-F316 HydrophobicContact CG1-CE2 4.42Å; L295-F316 HydrophobicContact CD1-CE1 4.38Å; L295-F316 HydrophobicContact CD1-CZ 4.14Å; I299-F316 HydrophobicContact CD1-CE1 4.33Å; I299-F316 HydrophobicContact CD1-CZ 3.84Å; I299-F316 HydrophobicContact CG1-CZ 3.86Å; V309-F316 HydrophobicContact CG1-CD1 4.17Å; V309-F316 HydrophobicContact CG1-CD2 4.17Å; V309-F316 HydrophobicContact CG1-CE1 3.86Å; V309-F316 HydrophobicContact CG1-CE2 3.86Å; V309-F316 HydrophobicContact CG1-CG 4.31Å; V309-F316 HydrophobicContact CG1-CZ 3.69Å; D310-F316 WeakPolarHBondContact O-CD1 3.23Å; K311-F316 HydrophobicContact CG-CE1 4.5Å; D313-F316 HydrophobicContact CB-CB 3.92Å; D313-F316 WeakPolarHBondContact O-CA 3.38Å; D313-F316 VanDerWaalsContact O-CB 3.32Å; D313-F316 WeakPolarHBondContact O-CB 3.37Å; D313-F316 PolarHBondContact O-N 3.17Å; D313-F316 WeakPolarHBondContact OD2-CB 3.26Å; D313-F316 PolarHBondContact OD2-N 2.8Å; D313-F316 VanDerWaalsContact OD2-N 3.12Å; E314-F316 VanDerWaalsContact C-N 3.27Å; E314-F316 PolarHBondContact O-N 3.09Å; F316-E318 VanDerWaalsContact C-N 3.32Å; F316-E318 PolarHBondContact O-N 2.85Å; F316-S319 PolarHBondContact O-N 2.94Å; F316-S319 VanDerWaalsContact O-N 3.09Å; F316-S319 PolarHBondContact O-OG 2.96Å; F316-N320 VanDerWaalsContact CE1-ND2 3.28Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.28Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.31Å; F316-N320 WeakPolarHBondContact CZ-ND2 3.26Å; F316-N320 PolarHBondContact O-N 3.29Å; F316-N320 PolarHBondContact O-ND2 3.03Å
317	Q	95.8	Very high	95.2	Very high	62 Å²	62	45.5 Å²	45.5	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-55.2	-48.6	-179.6	-66.2	-173.5	0.7	0	0	111.7	N290 K311 D313 E314 S319 N320 K321	N290-Q317 PolarHBondContact ND2-O 2.81Å; N290-Q317 WeakPolarHBondContact OD1-CA 3.38Å; K311-Q317 VanDerWaalsContact O-CG 3.23Å; K311-Q317 WeakPolarHBondContact O-CG 3.41Å; K311-Q317 PolarHBondContact O-NE2 2.58Å; D313-Q317 PolarHBondContact O-N 3.04Å; E314-Q317 PolarHBondContact O-N 2.83Å; Q317-S319 VanDerWaalsContact C-N 3.32Å; Q317-S319 PolarHBondContact O-N 3.49Å; Q317-N320 WeakPolarHBondContact O-CB 3.42Å; Q317-N320 PolarHBondContact O-N 3.38Å; Q317-K321 PolarHBondContact O-N 3.02Å
318	E	94.9	Very high	95.5	Very high	71 Å²	71	41.4 Å²	41.4	33%	0.332	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-65	-34.2	179.5	-163.3	61.1	-155.7	0	0	112.1	F115 E314 F316 N320 K321 H323	F115-E318 VanDerWaalsContact CE1-O 3.24Å; F115-E318 WeakPolarHBondContact CE1-O 3.45Å; E314-E318 VanDerWaalsContact O-CB 3.28Å; E314-E318 WeakPolarHBondContact O-CB 3.47Å; E314-E318 PolarHBondContact O-N 2.92Å; F316-E318 VanDerWaalsContact C-N 3.32Å; F316-E318 PolarHBondContact O-N 2.85Å; E318-N320 PolarHBondContact O-N 3.42Å; E318-N320 VanDerWaalsContact O-N 3.16Å; E318-K321 PolarHBondContact O-N 3.26Å; E318-K321 VanDerWaalsContact O-N 3.09Å; E318-K321 WeakPolarHBondContact OE2-CD 3.44Å; E318-K321 WeakPolarHBondContact OE2-CE 3.27Å; E318-K321 IonicContact OE2-NZ 2.92Å; E318-K321 PolarHBondContact OE2-NZ 3.27Å; E318-H323 IonicContact OE1-CE1 3.5Å
319	S	96	Very high	95.7	Very high	8 Å²	8	39.5 Å²	39.5	6%	0.056	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.5	-17.1	175.1	73.9	0	0	0	0	113.9	S114 R122 F316 Q317	S114-S319 WeakPolarHBondContact O-CB 3.4Å; R122-S319 WeakPolarHBondContact CD-OG 3.48Å; F316-S319 PolarHBondContact O-N 2.94Å; F316-S319 VanDerWaalsContact O-N 3.09Å; F316-S319 PolarHBondContact O-OG 2.96Å; Q317-S319 VanDerWaalsContact C-N 3.32Å; Q317-S319 PolarHBondContact O-N 3.49Å
320	N	97.6	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-98.4	-0.7	177.6	-54.7	-30.7	0	0	0	112.9	Y127 E289 N290 F316 Q317 E318 M322	Y127-N320 WeakPolarHBondContact OH-CA 3.43Å; Y127-N320 PolarHBondContact OH-OD1 2.92Å; Y127-N320 VanDerWaalsContact OH-OD1 3.11Å; E289-N320 HydrophobicContact CB-CB 4.27Å; E289-N320 PolarHBondContact N-O 3.37Å; N290-N320 WeakPolarHBondContact OD1-CB 3.44Å; N290-N320 PolarHBondContact OD1-ND2 3.32Å; F316-N320 VanDerWaalsContact CE1-ND2 3.28Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.28Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.31Å; F316-N320 WeakPolarHBondContact CZ-ND2 3.26Å; F316-N320 PolarHBondContact O-N 3.29Å; F316-N320 PolarHBondContact O-ND2 3.03Å; Q317-N320 WeakPolarHBondContact O-CB 3.42Å; Q317-N320 PolarHBondContact O-N 3.38Å; E318-N320 PolarHBondContact O-N 3.42Å; E318-N320 VanDerWaalsContact O-N 3.16Å; N320-M322 PolarHBondContact O-N 3.08Å
321	K	97.3	Very high	95.9	Very high	44 Å²	44	33.6 Å²	33.6	19%	0.191	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	95.9	176.6	-72.6	-173.2	-157.1	156.2	0	111.5	V286 D288 Q317 E318 H323	V286-K321 HydrophobicContact CG1-CB 3.78Å; V286-K321 HydrophobicContact CG1-CD 4.33Å; V286-K321 HydrophobicContact CG1-CG 4.3Å; D288-K321 HydrophobicContact CB-CG 4.28Å; D288-K321 VanDerWaalsContact OD2-CE 3.26Å; D288-K321 WeakPolarHBondContact OD2-CE 3.38Å; D288-K321 WeakPolarHBondContact OD2-CG 3.34Å; Q317-K321 PolarHBondContact O-N 3.02Å; E318-K321 PolarHBondContact O-N 3.26Å; E318-K321 VanDerWaalsContact O-N 3.09Å; E318-K321 WeakPolarHBondContact OE2-CD 3.44Å; E318-K321 WeakPolarHBondContact OE2-CE 3.27Å; E318-K321 IonicContact OE2-NZ 2.92Å; E318-K321 PolarHBondContact OE2-NZ 3.27Å; K321-H323 PolarHBondContact O-N 2.96Å; K321-H323 PolarHBondContact O-ND1 3.28Å
322	M	97.5	Very high	96	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	92.1	-170.4	-57.2	-55.3	-69	0	0	111.4	Y93 F115 L116 Y127 V287 N320 A324 V329	Y93-M322 HydrophobicContact CD1-CB 3.62Å; Y93-M322 HydrophobicContact CD1-CE 4.06Å; Y93-M322 HydrophobicContact CD1-CG 4.05Å; Y93-M322 HydrophobicContact CD2-CE 3.92Å; Y93-M322 HydrophobicContact CD2-CG 4.04Å; Y93-M322 HydrophobicContact CE1-CB 3.35Å; Y93-M322 HydrophobicContact CE1-CG 3.85Å; Y93-M322 HydrophobicContact CE2-CB 4.29Å; Y93-M322 HydrophobicContact CE2-CG 3.84Å; Y93-M322 HydrophobicContact CG-CB 4.22Å; Y93-M322 HydrophobicContact CG-CE 3.59Å; Y93-M322 HydrophobicContact CG-CG 4.16Å; F115-M322 HydrophobicContact CB-CE 4.45Å; F115-M322 HydrophobicContact CB-SD 4.29Å; L116-M322 HydrophobicContact CD2-CE 3.8Å; Y127-M322 HydrophobicContact CE2-CG 4.3Å; Y127-M322 HydrophobicContact CE2-SD 4.28Å; V287-M322 HydrophobicContact CB-CB 4.35Å; V287-M322 PolarHBondContact N-O 3.17Å; V287-M322 PolarHBondContact O-N 3.12Å; N320-M322 PolarHBondContact O-N 3.08Å; M322-A324 VanDerWaalsContact C-N 3.34Å; M322-A324 VanDerWaalsContact O-CB 3.27Å; M322-A324 WeakPolarHBondContact O-CB 3.23Å; M322-A324 PolarHBondContact O-N 2.78Å; M322-V329 HydrophobicContact CE-CG1 4.26Å; M322-V329 HydrophobicContact CE-CG2 4.31Å
323	H	97.4	Very high	96.3	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	78.6	178.7	-70.3	85.6	0	0	0	113.2	E318 K321 V329 H406 D409 G410 M411	E318-H323 IonicContact OE1-CE1 3.5Å; K321-H323 PolarHBondContact O-N 2.96Å; K321-H323 PolarHBondContact O-ND1 3.28Å; H323-V329 WeakPolarHBondContact O-CG1 3.36Å; H323-H406 AromaticContact CD2-CD2 3.39Å; H323-H406 PolarHBondContact CD2-CD2 3.01Å; H323-H406 AromaticContact CD2-CG 3.99Å; H323-H406 AromaticContact NE2-CD2 3.59Å; H323-D409 HydrophobicContact CB-CB 4.29Å; H323-G410 CarbonylContact O-C 3.51Å; H323-M411 HydrophobicContact CB-CB 4.48Å; H323-M411 HydrophobicContact CB-CE 4.25Å; H323-M411 WeakPolarHBondContact O-CA 3.23Å; H323-M411 PolarHBondContact O-N 3.07Å
324	A	97.2	Very high	96.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.2	-158	0	0	0	0	0	115.3	Y93 S285 V287 M322 F328 V329	Y93-A324 HydrophobicContact CD1-CB 4.3Å; Y93-A324 HydrophobicContact CE1-CB 4.32Å; S285-A324 PolarHBondContact N-O 3.23Å; S285-A324 PolarHBondContact O-N 2.83Å; V287-A324 HydrophobicContact CG2-CB 4.45Å; M322-A324 VanDerWaalsContact C-N 3.34Å; M322-A324 VanDerWaalsContact O-CB 3.27Å; M322-A324 WeakPolarHBondContact O-CB 3.23Å; M322-A324 PolarHBondContact O-N 2.78Å; A324-F328 WeakPolarHBondContact CA-O 3.38Å; A324-V329 HydrophobicContact CB-CG1 3.94Å
325	I	98.3	Very high	96.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118	164.2	-57.1	175.6	0	0	0	107.6	L282 L283 F284 G327 F328 L333 M411 A413	L282-I325 HydrophobicContact CB-CG2 4.28Å; L282-I325 HydrophobicContact CD2-CG2 3.87Å; L282-I325 HydrophobicContact CG-CG2 4.47Å; L283-I325 WeakPolarHBondContact O-CA 3.1Å; F284-I325 HydrophobicContact CD1-CD1 4.34Å; F284-I325 HydrophobicContact CD1-CG1 4.08Å; F284-I325 HydrophobicContact CE1-CD1 3.63Å; F284-I325 HydrophobicContact CE1-CG1 3.85Å; F284-I325 HydrophobicContact CZ-CD1 3.89Å; F284-I325 HydrophobicContact CZ-CG1 4.25Å; I325-G327 PolarHBondContact O-N 3.37Å; I325-G327 VanDerWaalsContact O-N 3.12Å; I325-F328 PolarHBondContact N-O 2.63Å; I325-F328 PolarHBondContact O-N 2.88Å; I325-L333 HydrophobicContact CG2-CD2 4.32Å; I325-M411 HydrophobicContact CD1-CG 4.36Å; I325-M411 HydrophobicContact CG1-CG 3.83Å; I325-A413 HydrophobicContact CD1-CB 3.99Å
326	N	97.9	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.6	-171.6	-65.4	-5	0	0	0	114.3	W149 G151 F152 L153 F281 L282 L283 L333	W149-N326 PolarHBondContact O-ND2 3.11Å; G151-N326 WeakPolarHBondContact CA-O 3.48Å; F152-N326 PolarHBondContact N-O 3.21Å; L153-N326 HydrophobicContact CD1-CB 4.49Å; L153-N326 WeakPolarHBondContact CD1-OD1 3.27Å; F281-N326 PolarHBondContact O-ND2 2.83Å; L282-N326 WeakPolarHBondContact CA-OD1 3.46Å; L283-N326 PolarHBondContact N-OD1 2.89Å; L283-N326 PolarHBondContact O-N 2.96Å; N326-L333 HydrophobicContact CB-CD1 4.13Å
327	G	97.1	Very high	96.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	14.6	-175.2	0	0	0	0	0	115.6	W91 Y93 I325	W91-G327 PolarHBondContact NE1-O 3.2Å; Y93-G327 WeakPolarHBondContact CA-O 3.45Å; Y93-G327 WeakPolarHBondContact CD1-O 3.48Å; I325-G327 PolarHBondContact O-N 3.37Å; I325-G327 VanDerWaalsContact O-N 3.12Å
328	F	98.4	Very high	96.1	Very high	13 Å²	13	16.6 Å²	16.6	6%	0.057	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-114.9	141.6	171.6	-58.6	-80.1	0	0	0	112.5	W91 Y93 P95 A324 I325 N332 L333 P334	W91-F328 AromaticContact CH2-CE1 3.81Å; W91-F328 HydrophobicContact CH2-CE1 3.81Å; W91-F328 AromaticContact CH2-CE2 3.92Å; W91-F328 HydrophobicContact CH2-CE2 3.92Å; W91-F328 AromaticContact CH2-CZ 3.43Å; W91-F328 HydrophobicContact CH2-CZ 3.43Å; W91-F328 VanDerWaalsContact CH2-CZ 3.43Å; W91-F328 HydrophobicContact CZ2-CD1 4.08Å; W91-F328 HydrophobicContact CZ2-CD2 4.29Å; W91-F328 AromaticContact CZ2-CE1 3.68Å; W91-F328 HydrophobicContact CZ2-CE1 3.68Å; W91-F328 AromaticContact CZ2-CE2 3.96Å; W91-F328 HydrophobicContact CZ2-CE2 3.96Å; W91-F328 HydrophobicContact CZ2-CG 4.39Å; W91-F328 AromaticContact CZ2-CZ 3.65Å; W91-F328 HydrophobicContact CZ2-CZ 3.65Å; Y93-F328 WeakPolarHBondContact O-CA 3.44Å; P95-F328 HydrophobicContact CG-CD1 4.24Å; P95-F328 HydrophobicContact CG-CE1 3.96Å; A324-F328 WeakPolarHBondContact CA-O 3.38Å; I325-F328 PolarHBondContact N-O 2.63Å; I325-F328 PolarHBondContact O-N 2.88Å; F328-N332 HydrophobicContact CB-CB 4.21Å; F328-N332 HydrophobicContact CD1-CB 4.31Å; F328-L333 HydrophobicContact CB-CB 4.26Å; F328-L333 HydrophobicContact CD2-CB 4.35Å; F328-L333 HydrophobicContact CD2-CD1 3.39Å; F328-L333 HydrophobicContact CD2-CG 4.44Å; F328-L333 HydrophobicContact CE2-CD1 3.84Å; F328-L333 HydrophobicContact CG-CD1 4.32Å; F328-P334 HydrophobicContact CE2-CG 4.45Å; F328-P334 HydrophobicContact CZ-CG 4.2Å
329	V	97.5	Very high	96	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	8%	0.077	C	C	.	.			trans	-117.7	161.9	-180	-59	0	0	0	0	112.3	Y93 A94 L116 M322 H323 A324 G331 N332 G410	Y93-V329 HydrophobicContact CD1-CG1 4.38Å; Y93-V329 PolarHBondContact O-N 3.21Å; A94-V329 HydrophobicContact CB-CG2 4.28Å; L116-V329 HydrophobicContact CD1-CG2 4.13Å; L116-V329 HydrophobicContact CD2-CG2 3.85Å; L116-V329 HydrophobicContact CG-CG2 4.36Å; M322-V329 HydrophobicContact CE-CG1 4.26Å; M322-V329 HydrophobicContact CE-CG2 4.31Å; H323-V329 WeakPolarHBondContact O-CG1 3.36Å; A324-V329 HydrophobicContact CB-CG1 3.94Å; V329-G331 VanDerWaalsContact C-N 3.3Å; V329-G331 PolarHBondContact O-N 3.22Å; V329-N332 WeakPolarHBondContact O-CB 3.38Å; V329-N332 PolarHBondContact O-N 3.41Å; V329-N332 PolarHBondContact O-ND2 2.93Å; V329-G410 CarbonylContact C-O 3.49Å
330	F	96.6	Very high	95.8	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	43.9	175.7	-55.3	-77	0	0	0	114	N99 V100 V111 A112 F115 L116 N332 D409 G410	N99-F330 HydrophobicContact CB-CB 4.08Å; V100-F330 WeakPolarHBondContact CB-O 3.33Å; V100-F330 PolarHBondContact N-O 2.89Å; V111-F330 HydrophobicContact CG1-CE1 4.24Å; V111-F330 HydrophobicContact CG1-CZ 4.24Å; A112-F330 HydrophobicContact CB-CD1 4.25Å; A112-F330 HydrophobicContact CB-CD2 4.01Å; A112-F330 HydrophobicContact CB-CE1 4.16Å; A112-F330 HydrophobicContact CB-CE2 3.95Å; A112-F330 HydrophobicContact CB-CG 4.19Å; A112-F330 HydrophobicContact CB-CZ 4.03Å; F115-F330 HydrophobicContact CD2-CE2 4.41Å; F115-F330 HydrophobicContact CD2-CZ 4.11Å; L116-F330 HydrophobicContact CD1-CD2 3.78Å; L116-F330 HydrophobicContact CD1-CE2 4.11Å; L116-F330 HydrophobicContact CG-CE2 4.47Å; F330-N332 VanDerWaalsContact C-N 3.32Å; F330-N332 PolarHBondContact O-N 2.88Å; F330-N332 PolarHBondContact O-ND2 2.91Å; F330-D409 VanDerWaalsContact CZ-C 3.47Å; F330-D409 WeakPolarHBondContact CZ-O 3.4Å; F330-G410 PolarHBondContact N-O 3.14Å
331	G	95.6	Very high	95.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	15.7	-179.5	0	0	0	0	0	115.4	K96 V100 V329 L333 Q412	K96-G331 PolarHBondContact NZ-O 3.47Å; V100-G331 WeakPolarHBondContact CB-O 3.37Å; V100-G331 WeakPolarHBondContact CG2-O 3.09Å; V329-G331 VanDerWaalsContact C-N 3.3Å; V329-G331 PolarHBondContact O-N 3.22Å; G331-L333 VanDerWaalsContact C-N 3.28Å; G331-L333 PolarHBondContact O-N 2.03Å; G331-Q412 WeakPolarHBondContact CA-O 3.41Å; G331-Q412 PolarHBondContact N-O 3.24Å
332	N	96.6	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.			trans	-73.8	-12.9	-178.4	-81.7	-92.8	0	0	0	114.9	A94 K96 R98 F328 V329 F330	A94-N332 VanDerWaalsContact C-OD1 3.29Å; A94-N332 VanDerWaalsContact CA-CG 3.42Å; A94-N332 WeakPolarHBondContact CA-OD1 3.33Å; K96-N332 WeakPolarHBondContact CB-OD1 3.26Å; K96-N332 WeakPolarHBondContact CE-O 3.34Å; K96-N332 WeakPolarHBondContact CG-OD1 3.36Å; K96-N332 PolarHBondContact N-OD1 2.91Å; K96-N332 VanDerWaalsContact NZ-C 3.32Å; K96-N332 PolarHBondContact NZ-O 2.79Å; R98-N332 PolarHBondContact O-ND2 2.89Å; F328-N332 HydrophobicContact CB-CB 4.21Å; F328-N332 HydrophobicContact CD1-CB 4.31Å; V329-N332 WeakPolarHBondContact O-CB 3.38Å; V329-N332 PolarHBondContact O-N 3.41Å; V329-N332 PolarHBondContact O-ND2 2.93Å; F330-N332 VanDerWaalsContact C-N 3.32Å; F330-N332 PolarHBondContact O-N 2.88Å; F330-N332 PolarHBondContact O-ND2 2.91Å
333	L	97.1	Very high	94.8	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	13%	0.13	C	C	.	.	S	Bend	trans	-48	136.5	173.7	-168.4	68.4	0	0	0	111.5	K96 W149 L282 I325 N326 F328 G331 L336 A413	K96-L333 PolarHBondContact NZ-O 3.5Å; W149-L333 WeakPolarHBondContact O-CD1 3.26Å; L282-L333 HydrophobicContact CD2-CD2 4.28Å; I325-L333 HydrophobicContact CG2-CD2 4.32Å; N326-L333 HydrophobicContact CB-CD1 4.13Å; F328-L333 HydrophobicContact CB-CB 4.26Å; F328-L333 HydrophobicContact CD2-CB 4.35Å; F328-L333 HydrophobicContact CD2-CD1 3.39Å; F328-L333 HydrophobicContact CD2-CG 4.44Å; F328-L333 HydrophobicContact CE2-CD1 3.84Å; F328-L333 HydrophobicContact CG-CD1 4.32Å; G331-L333 VanDerWaalsContact C-N 3.28Å; G331-L333 PolarHBondContact O-N 2.03Å; L333-L336 HydrophobicContact CD2-CD1 3.65Å; L333-L336 HydrophobicContact CD2-CG 4.05Å; L333-A413 HydrophobicContact CB-CB 3.8Å; L333-A413 HydrophobicContact CD2-CB 3.51Å; L333-A413 HydrophobicContact CG-CB 4.3Å
334	P	94.8	Very high	94.6	Very high	37 Å²	37	27.9 Å²	27.9	24%	0.24	13%	0.129	C	C	.	.			trans	-62.6	155.5	171.5	-30.1	40.8	0	0	0	113.3	A148 F328 L336	A148-P334 HydrophobicContact CB-CB 4.13Å; A148-P334 HydrophobicContact CB-CG 4.12Å; A148-P334 WeakPolarHBondContact O-CG 3.45Å; F328-P334 HydrophobicContact CE2-CG 4.45Å; F328-P334 HydrophobicContact CZ-CG 4.2Å; P334-L336 PolarHBondContact O-N 3.5Å
335	E	87.4	Confident	94.6	Very high	109 Å²	109	27.8 Å²	27.8	51%	0.509	13%	0.128	S	C	.	.			trans	-61.8	109	-170.1	-66.8	-167.1	153.4	0	0	113.6	N337 K416	E335-N337 WeakPolarHBondContact CB-ND2 3.4Å; E335-N337 PolarHBondContact O-N 3.4Å; E335-N337 VanDerWaalsContact O-N 3.12Å; E335-N337 PolarHBondContact O-ND2 3.31Å; E335-N337 PolarHBondContact OE2-ND2 3.09Å; E335-K416 IonicContact OE1-NZ 3.99Å; E335-K416 PolarHBondContact OE1-NZ 3.35Å
336	L	94.6	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	101	165.7	-65.6	166.5	0	0	0	109.3	W149 F280 L282 L333 P334 W346 Y415 K416	W149-L336 HydrophobicContact CB-CD2 3.76Å; W149-L336 HydrophobicContact CD2-CD2 4.09Å; W149-L336 HydrophobicContact CE3-CD2 4.49Å; W149-L336 HydrophobicContact CG-CD2 3.76Å; F280-L336 HydrophobicContact CB-CD2 4.45Å; F280-L336 HydrophobicContact CD1-CD2 3.48Å; F280-L336 VanDerWaalsContact CD1-CD2 3.48Å; F280-L336 HydrophobicContact CE1-CD2 3.88Å; F280-L336 HydrophobicContact CG-CD2 4.03Å; L282-L336 HydrophobicContact CD2-CD1 4.25Å; L333-L336 HydrophobicContact CD2-CD1 3.65Å; L333-L336 HydrophobicContact CD2-CG 4.05Å; P334-L336 PolarHBondContact O-N 3.5Å; L336-W346 HydrophobicContact CD1-CH2 4.17Å; L336-W346 HydrophobicContact CD1-CZ3 4.07Å; L336-Y415 CarbonylContact O-C 3.57Å; L336-Y415 WeakPolarHBondContact O-CA 3.24Å; L336-K416 PolarHBondContact O-N 3.12Å
337	N	94.4	Very high	94.5	Very high	43 Å²	43	27.8 Å²	27.8	23%	0.23	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	-172.6	-85	-84.1	0	0	0	111.7	E335 K418	E335-N337 WeakPolarHBondContact CB-ND2 3.4Å; E335-N337 PolarHBondContact O-N 3.4Å; E335-N337 VanDerWaalsContact O-N 3.12Å; E335-N337 PolarHBondContact O-ND2 3.31Å; E335-N337 PolarHBondContact OE2-ND2 3.09Å; N337-K418 WeakPolarHBondContact OD1-CE 3.3Å; N337-K418 PolarHBondContact OD1-NZ 2.93Å
338	M	94.4	Very high	94.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	170.3	-179	66.3	-166.8	66.4	0	0	112.6	F280 V344 W346 P391 Y415 K416 V417 K418	F280-M338 HydrophobicContact CD2-CE 4.2Å; F280-M338 HydrophobicContact CE2-CB 4.28Å; F280-M338 HydrophobicContact CE2-CE 3.66Å; F280-M338 HydrophobicContact CZ-CE 4.39Å; M338-V344 HydrophobicContact CB-CG2 4.14Å; M338-V344 HydrophobicContact SD-CG2 4.26Å; M338-W346 HydrophobicContact CE-CH2 3.6Å; M338-W346 HydrophobicContact CE-CZ2 3.38Å; M338-W346 HydrophobicContact SD-CZ2 4.28Å; M338-P391 HydrophobicContact CG-CG 4.18Å; M338-P391 HydrophobicContact SD-CB 4.19Å; M338-P391 HydrophobicContact SD-CG 3.91Å; M338-Y415 HydrophobicContact CE-CD2 3.64Å; M338-Y415 HydrophobicContact CE-CE2 4.46Å; M338-Y415 HydrophobicContact CE-CG 4.22Å; M338-Y415 HydrophobicContact SD-CD2 3.89Å; M338-Y415 HydrophobicContact SD-CE2 4.28Å; M338-K416 PolarHBondContact N-O 2.9Å; M338-V417 HydrophobicContact CG-CG2 3.98Å; M338-V417 HydrophobicContact SD-CG2 4.05Å; M338-K418 PolarHBondContact O-N 2.67Å
339	C	92.3	Very high	94.5	Very high	29 Å²	29	27.1 Å²	27.1	20%	0.196	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.8	-179.7	-75.9	0	0	0	0	112.1	R342 P391 K418 C420	C339-R342 HydrophobicContact CB-CB 4.05Å; C339-R342 HydrophobicContact CB-CG 3.62Å; C339-R342 WeakPolarHBondContact O-CB 3.45Å; C339-R342 PolarHBondContact O-N 2.78Å; C339-P391 WeakPolarHBondContact O-CG 3.01Å; C339-K418 WeakPolarHBondContact CA-O 3.11Å; C339-C420 VanDerWaalsContact CA-SG 3.54Å; C339-C420 HydrophobicContact CB-CB 3.57Å; C339-C420 WeakPolarHBondContact CB-SG 3.12Å; C339-C420 WeakPolarHBondContact SG-CB 3.12Å; C339-C420 CovalentContact SG-SG 2.03Å; C339-C420 PolarHBondContact SG-SG 3.05Å
340	A	91	Very high	94.4	Very high	6 Å²	6	27 Å²	27	5%	0.05	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	145.1	171.4	0	0	0	0	0	111.3	R342 P391 V417 K418	A340-R342 PolarHBondContact O-N 2.9Å; A340-R342 VanDerWaalsContact O-N 3.17Å; A340-P391 CarbonylContact C-O 3.3Å; A340-P391 WeakPolarHBondContact CA-O 2.99Å; A340-V417 HydrophobicContact CB-CG1 3.85Å; A340-K418 PolarHBondContact N-O 2.81Å
341	Q	87.7	Confident	94.3	Very high	80 Å²	80	27 Å²	27	37%	0.374	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	17.9	-179.7	-56.1	174.3	-8.9	0	0	114.5	P391 W392	Q341-P391 PolarHBondContact N-O 2.94Å; Q341-W392 HydrophobicContact CG-CE3 4.06Å; Q341-W392 HydrophobicContact CG-CZ3 4.09Å
342	R	90.8	Very high	94.2	Very high	111 Å²	111	27.5 Å²	27.5	42%	0.419	13%	0.129	S	C	.	.	S	Bend	trans	-108.7	152	173.7	-66.3	-40.4	-155.5	102.1	9.3	111	D277 C339 A340 P391	D277-R342 HydrophobicContact CB-CB 3.94Å; D277-R342 HydrophobicContact CB-CG 4.49Å; D277-R342 IonicContact OD1-CZ 3.1Å; D277-R342 IonicContact OD1-NH1 2.68Å; D277-R342 PolarHBondContact OD1-NH1 2.97Å; D277-R342 VanDerWaalsContact OD2-CB 3.26Å; D277-R342 WeakPolarHBondContact OD2-CB 3.34Å; D277-R342 WeakPolarHBondContact OD2-CD 3.12Å; D277-R342 IonicContact OD2-CZ 2.68Å; D277-R342 IonicContact OD2-NE 3.56Å; D277-R342 IonicContact OD2-NH1 2.98Å; D277-R342 PolarHBondContact OD2-NH1 3.04Å; C339-R342 HydrophobicContact CB-CB 4.05Å; C339-R342 HydrophobicContact CB-CG 3.62Å; C339-R342 WeakPolarHBondContact O-CB 3.45Å; C339-R342 PolarHBondContact O-N 2.78Å; A340-R342 PolarHBondContact O-N 2.9Å; A340-R342 VanDerWaalsContact O-N 3.17Å; R342-P391 WeakPolarHBondContact O-CD 3.48Å
343	R	92.8	Very high	94	Very high	142 Å²	142	29 Å²	29	54%	0.536	14%	0.138	S	C	.	.			trans	-81.5	134.3	-178.2	-68	-180	-177.6	-130.2	3.7	109.9	D275 V276 D277 V390	D275-R343 VanDerWaalsContact O-CD 3.26Å; D275-R343 WeakPolarHBondContact O-CD 3.45Å; V276-R343 HydrophobicContact CB-CB 4.33Å; V276-R343 HydrophobicContact CG1-CB 4.06Å; D277-R343 PolarHBondContact N-O 2.97Å; R343-V390 HydrophobicContact CG-CG2 4.14Å
344	V	95	Very high	93.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.9	176.6	-179.9	0	0	0	0	107.9	H278 F280 M338 W346 M389 P391	H278-V344 WeakPolarHBondContact O-CA 3.31Å; F280-V344 HydrophobicContact CD2-CG1 3.55Å; F280-V344 HydrophobicContact CE2-CG1 3.75Å; M338-V344 HydrophobicContact CB-CG2 4.14Å; M338-V344 HydrophobicContact SD-CG2 4.26Å; V344-W346 HydrophobicContact CG1-CD2 4.5Å; V344-W346 HydrophobicContact CG1-CZ2 4.4Å; V344-M389 HydrophobicContact CB-CB 4.5Å; V344-M389 PolarHBondContact N-O 3.44Å; V344-M389 PolarHBondContact O-N 2.73Å; V344-P391 HydrophobicContact CG2-CG 4.46Å
345	A	95.9	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.5	166.6	0	0	0	0	0	110.3	V276 H278 D279 F280	V276-A345 HydrophobicContact CG1-CB 4.05Å; V276-A345 HydrophobicContact CG2-CB 4.43Å; H278-A345 PolarHBondContact O-N 3.39Å; D279-A345 WeakPolarHBondContact OD1-CB 3.26Å; F280-A345 PolarHBondContact N-O 2.85Å
346	W	97.3	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.5	172.5	-63.5	97.6	0	0	0	108.5	F280 L282 L336 M338 V344 L348 F362 A387 M389	F280-W346 HydrophobicContact CB-CD2 4.41Å; F280-W346 HydrophobicContact CB-CE3 3.6Å; F280-W346 HydrophobicContact CB-CH2 4.48Å; F280-W346 HydrophobicContact CB-CZ3 3.63Å; F280-W346 HydrophobicContact CD2-CE3 4.23Å; F280-W346 AromaticContact CD2-CH2 3.92Å; F280-W346 HydrophobicContact CD2-CH2 3.92Å; F280-W346 HydrophobicContact CD2-CZ2 4.23Å; F280-W346 AromaticContact CD2-CZ3 3.9Å; F280-W346 HydrophobicContact CD2-CZ3 3.9Å; F280-W346 HydrophobicContact CG-CE3 4.3Å; F280-W346 HydrophobicContact CG-CH2 4.38Å; F280-W346 AromaticContact CG-CZ3 3.97Å; F280-W346 HydrophobicContact CG-CZ3 3.97Å; L282-W346 HydrophobicContact CD1-CE3 3.9Å; L282-W346 HydrophobicContact CD1-CZ3 3.81Å; L282-W346 HydrophobicContact CG-CE3 4.31Å; L282-W346 HydrophobicContact CG-CZ3 4.31Å; L336-W346 HydrophobicContact CD1-CH2 4.17Å; L336-W346 HydrophobicContact CD1-CZ3 4.07Å; M338-W346 HydrophobicContact CE-CH2 3.6Å; M338-W346 HydrophobicContact CE-CZ2 3.38Å; M338-W346 HydrophobicContact SD-CZ2 4.28Å; V344-W346 HydrophobicContact CG1-CD2 4.5Å; V344-W346 HydrophobicContact CG1-CZ2 4.4Å; W346-L348 HydrophobicContact CB-CD1 4.37Å; W346-L348 HydrophobicContact CB-CD2 3.97Å; W346-L348 HydrophobicContact CB-CG 4Å; W346-F362 AromaticContact CD2-CE1 3.7Å; W346-F362 HydrophobicContact CD2-CE1 3.7Å; W346-F362 AromaticContact CD2-CZ 4Å; W346-F362 HydrophobicContact CD2-CZ 4Å; W346-F362 AromaticContact CE2-CE1 3.61Å; W346-F362 AromaticContact CE3-CE1 3.85Å; W346-F362 HydrophobicContact CE3-CE1 3.85Å; W346-F362 HydrophobicContact CE3-CZ 4.09Å; W346-F362 HydrophobicContact CG-CE1 4.33Å; W346-F362 HydrophobicContact CG-CZ 4.31Å; W346-F362 AromaticContact CH2-CE1 3.85Å; W346-F362 HydrophobicContact CH2-CE1 3.85Å; W346-F362 HydrophobicContact CZ2-CD1 4.18Å; W346-F362 AromaticContact CZ2-CE1 3.68Å; W346-F362 HydrophobicContact CZ2-CE1 3.68Å; W346-F362 AromaticContact CZ3-CE1 3.95Å; W346-F362 HydrophobicContact CZ3-CE1 3.95Å; W346-A387 HydrophobicContact CB-CB 4.33Å; W346-A387 PolarHBondContact N-O 2.8Å; W346-A387 PolarHBondContact O-N 2.94Å; W346-M389 HydrophobicContact CZ2-CE 4.47Å; W346-M389 HydrophobicContact CZ2-SD 4.36Å; W346-M389 PolarHBondContact NE1-SD 3.04Å
347	H	97.6	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	97.9	173.1	-68	-81.3	0	0	0	107.2	T236 R273 D279 F280 F281 L282	T236-H347 HydrophobicContact CG2-CB 3.95Å; T236-H347 PolarHBondContact OG1-ND1 3.19Å; R273-H347 PolarHBondContact NH1-NE2 3.35Å; D279-H347 IonicContact OD1-CD2 3.15Å; D279-H347 IonicContact OD1-NE2 3.34Å; D279-H347 PolarHBondContact OD1-NE2 2.87Å; F280-H347 PolarHBondContact O-N 2.92Å; F281-H347 WeakPolarHBondContact CA-O 3.29Å; F281-H347 HydrophobicContact CD1-CB 3.29Å; F281-H347 AromaticContact CD1-CG 3.82Å; F281-H347 HydrophobicContact CE1-CB 3.44Å; F281-H347 VanDerWaalsContact CE1-CB 3.44Å; F281-H347 AromaticContact CE1-CD2 3.59Å; F281-H347 AromaticContact CE1-CG 3.38Å; F281-H347 HydrophobicContact CG-CB 4.02Å; F281-H347 HydrophobicContact CZ-CB 4.25Å; F281-H347 AromaticContact CZ-CD2 3.55Å; F281-H347 AromaticContact CZ-CG 3.87Å; L282-H347 PolarHBondContact N-O 3.01Å
348	L	97.7	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.2	-171.9	-52.5	178.9	0	0	0	109.1	L282 F284 W346 F362 A377 I379 V385	L282-L348 HydrophobicContact CB-CD2 3.78Å; L282-L348 HydrophobicContact CD1-CD2 3.85Å; L282-L348 HydrophobicContact CG-CD2 4.07Å; F284-L348 HydrophobicContact CE2-CD2 4.44Å; W346-L348 HydrophobicContact CB-CD1 4.37Å; W346-L348 HydrophobicContact CB-CD2 3.97Å; W346-L348 HydrophobicContact CB-CG 4Å; L348-F362 HydrophobicContact CD1-CE2 3.96Å; L348-F362 HydrophobicContact CD1-CZ 4.19Å; L348-F362 HydrophobicContact CD2-CZ 4.17Å; L348-A377 HydrophobicContact CD1-CB 3.6Å; L348-I379 HydrophobicContact CB-CD1 3.94Å; L348-V385 HydrophobicContact CB-CB 4.26Å; L348-V385 PolarHBondContact N-O 2.72Å; L348-V385 PolarHBondContact O-N 3.34Å
349	F	96.8	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.4	178	56	-83	0	0	0	111.7	L153 T236 I238 I254 P256 F281 L282 L283 F284 I379 T383 F384	L153-F349 HydrophobicContact CD1-CZ 3.85Å; L153-F349 HydrophobicContact CD2-CE2 4.34Å; L153-F349 HydrophobicContact CD2-CZ 4.21Å; T236-F349 HydrophobicContact CG2-CD1 4.23Å; I238-F349 HydrophobicContact CG2-CB 4.26Å; I238-F349 HydrophobicContact CG2-CD1 4.33Å; I238-F349 HydrophobicContact CG2-CD2 3.41Å; I238-F349 VanDerWaalsContact CG2-CD2 3.41Å; I238-F349 HydrophobicContact CG2-CE2 3.66Å; I238-F349 HydrophobicContact CG2-CG 3.77Å; I238-F349 HydrophobicContact CG2-CZ 4.24Å; I254-F349 HydrophobicContact CD1-CD2 4.39Å; I254-F349 HydrophobicContact CD1-CE2 4.04Å; I254-F349 HydrophobicContact CG1-CE2 4.38Å; P256-F349 HydrophobicContact CB-CE1 4.09Å; P256-F349 HydrophobicContact CB-CZ 4.24Å; F281-F349 HydrophobicContact CB-CE1 4.5Å; L282-F349 PolarHBondContact O-N 3.45Å; L282-F349 VanDerWaalsContact O-N 3.08Å; L283-F349 WeakPolarHBondContact CA-O 3.44Å; L283-F349 HydrophobicContact CB-CD2 4.16Å; L283-F349 HydrophobicContact CB-CE2 3.66Å; L283-F349 HydrophobicContact CB-CZ 3.97Å; L283-F349 HydrophobicContact CD1-CD2 3.67Å; L283-F349 HydrophobicContact CD1-CE2 3.78Å; L283-F349 HydrophobicContact CG-CD2 4.49Å; L283-F349 HydrophobicContact CG-CE2 4.19Å; F284-F349 PolarHBondContact N-O 2.76Å; F349-I379 VanDerWaalsContact C-CG2 3.42Å; F349-T383 WeakPolarHBondContact CA-O 3.32Å; F349-F384 HydrophobicContact CB-CD1 3.89Å; F349-F384 HydrophobicContact CB-CE1 4.48Å
350	G	95.9	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.1	-177.1	0	0	0	0	0	110.9	F284 F380 A382 T383	F284-G350 WeakPolarHBondContact O-CA 3.45Å; G350-F380 CarbonylContact C-O 3.21Å; G350-F380 WeakPolarHBondContact CA-O 3.2Å; G350-A382 PolarHBondContact O-N 3.42Å; G350-T383 PolarHBondContact N-O 3.45Å
351	M	94.6	Very high	94.9	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	10%	0.103	C	C	.	.			trans	-159.9	139.5	174.3	-165.2	54.4	68.8	0	0	112.1	I238 I249 I254 L283 F284 S285 A382 H1101	I238-M351 HydrophobicContact CD1-CE 3.29Å; I249-M351 HydrophobicContact CD1-CE 4.28Å; I249-M351 HydrophobicContact CD1-CG 4.08Å; I249-M351 HydrophobicContact CD1-SD 3.86Å; I249-M351 HydrophobicContact CG2-CB 4.5Å; I249-M351 HydrophobicContact CG2-CG 3.4Å; I249-M351 VanDerWaalsContact CG2-CG 3.4Å; I249-M351 HydrophobicContact CG2-SD 4.5Å; I254-M351 HydrophobicContact CD1-CB 4.14Å; I254-M351 HydrophobicContact CD1-CE 4.08Å; I254-M351 HydrophobicContact CD1-CG 4.1Å; L283-M351 HydrophobicContact CD1-CB 3.7Å; F284-M351 PolarHBondContact O-N 3.33Å; S285-M351 WeakPolarHBondContact CA-O 3.25Å; S285-M351 WeakPolarHBondContact CB-O 3.44Å; S285-M351 PolarHBondContact OG-O 3.42Å; M351-A382 HydrophobicContact CE-CB 3.91Å; M351-H1101 PolarHBondContact SD-ND1 3.31Å
352	G	92.9	Very high	95.3	Very high	11 Å²	11	18.9 Å²	18.9	11%	0.113	9%	0.085	C	C	.	.	S	Bend	trans	147.6	-124.2	176	0	0	0	0	0	112.6	D356 T1103	G352-D356 VanDerWaalsContact CA-OD2 3.3Å; G352-D356 WeakPolarHBondContact CA-OD2 3.43Å; G352-T1103 WeakPolarHBondContact O-CB 3.43Å; G352-T1103 PolarHBondContact O-N 3.11Å; G352-T1103 VanDerWaalsContact O-N 3.1Å; G352-T1103 PolarHBondContact O-OG1 2.8Å
353	N	93.7	Very high	95.5	Very high	32 Å²	32	13.7 Å²	13.7	17%	0.171	7%	0.065	C	C	.	.	S	Bend	trans	-131.9	-167	-164.9	-156.6	11.1	0	0	0	113.2	V355 D356 T1103 D1104	N353-V355 PolarHBondContact O-N 2.83Å; N353-V355 VanDerWaalsContact O-N 3.13Å; N353-D356 PolarHBondContact N-OD2 2.74Å; N353-D356 WeakPolarHBondContact O-CB 3Å; N353-D356 PolarHBondContact O-N 2.8Å; N353-T1103 WeakPolarHBondContact OD1-CB 3.16Å; N353-D1104 PolarHBondContact ND2-OD1 2.92Å; N353-D1104 PolarHBondContact ND2-OD2 2.67Å; N353-D1104 WeakPolarHBondContact OD1-CB 3.33Å; N353-D1104 PolarHBondContact OD1-N 3.43Å; N353-D1104 PolarHBondContact OD1-OD1 2.83Å; N353-D1104 PolarHBondContact OD1-OD2 3.1Å
354	E	92.6	Very high	95.4	Very high	44 Å²	44	7 Å²	7	21%	0.206	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.3	178.6	-63.7	-176.7	175.9	0	0	112.9	D356 V1051 V1102 H1105	E354-D356 VanDerWaalsContact C-N 3.26Å; E354-D356 PolarHBondContact O-N 3.09Å; E354-V1051 WeakPolarHBondContact OE2-CG1 3.44Å; E354-V1102 HydrophobicContact CG-CG1 4.18Å; E354-H1105 IonicContact OE1-CD2 3.65Å; E354-H1105 IonicContact OE1-NE2 3.31Å; E354-H1105 PolarHBondContact OE1-NE2 3.07Å
355	V	92.4	Very high	95.3	Very high	50 Å²	50	7.3 Å²	7.3	30%	0.303	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.4	177.7	-62.5	0	0	0	0	113.7	V286 N353 V357 H406	V286-V355 HydrophobicContact CB-CG2 4.11Å; V286-V355 HydrophobicContact CG1-CG2 4.29Å; V286-V355 HydrophobicContact CG2-CG2 4.14Å; N353-V355 PolarHBondContact O-N 2.83Å; N353-V355 VanDerWaalsContact O-N 3.13Å; V355-V357 PolarHBondContact O-N 2.87Å; V355-H406 PolarHBondContact O-CE1 3.08Å; V355-H406 PolarHBondContact O-NE2 2.94Å
356	D	95.4	Very high	95.1	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.045	C	C	.	.			trans	-78.4	40.5	-169.9	-77.5	-86.4	0	0	0	115	S285 V286 G352 N353 E354 H358 P381	S285-D356 WeakPolarHBondContact CA-OD1 3.18Å; V286-D356 PolarHBondContact N-OD1 2.71Å; G352-D356 VanDerWaalsContact CA-OD2 3.3Å; G352-D356 WeakPolarHBondContact CA-OD2 3.43Å; N353-D356 PolarHBondContact N-OD2 2.74Å; N353-D356 WeakPolarHBondContact O-CB 3Å; N353-D356 PolarHBondContact O-N 2.8Å; E354-D356 VanDerWaalsContact C-N 3.26Å; E354-D356 PolarHBondContact O-N 3.09Å; D356-H358 WeakPolarHBondContact CA-NE2 3.44Å; D356-H358 PolarHBondContact O-CD2 3.46Å; D356-H358 VanDerWaalsContact O-CD2 3.25Å; D356-H358 PolarHBondContact O-N 3.18Å; D356-H358 IonicContact OD1-CD2 3.1Å; D356-H358 IonicContact OD1-CE1 3.12Å; D356-H358 IonicContact OD1-NE2 2.71Å; D356-H358 PolarHBondContact OD1-NE2 3.03Å; D356-P381 HydrophobicContact CB-CG 3.88Å
357	V	95.7	Very high	95	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.			trans	-71.1	112.6	160.6	173.7	0	0	0	0	108.4	V355 F380 V403 H406 V709 F732 L1053	V355-V357 PolarHBondContact O-N 2.87Å; V357-F380 HydrophobicContact CB-CD1 4.49Å; V357-F380 HydrophobicContact CB-CE1 4.44Å; V357-F380 HydrophobicContact CG1-CE1 4.05Å; V357-F380 HydrophobicContact CG2-CD1 4.19Å; V357-F380 HydrophobicContact CG2-CE1 4.25Å; V357-V403 HydrophobicContact CG1-CG2 4.24Å; V357-V403 WeakPolarHBondContact O-CG2 3.2Å; V357-H406 PolarHBondContact O-CE1 3.45Å; V357-H406 PolarHBondContact O-ND1 3.13Å; V357-V709 HydrophobicContact CG2-CG2 3.94Å; V357-F732 HydrophobicContact CG1-CB 4.38Å; V357-F732 HydrophobicContact CG1-CD1 4.12Å; V357-L1053 HydrophobicContact CG2-CD2 3.98Å
358	H	96.9	Very high	94.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.1	-179.2	-63.3	-57.3	0	0	0	113.4	F284 D356 I379 H406 M411	F284-H358 HydrophobicContact CB-CB 4.1Å; D356-H358 WeakPolarHBondContact CA-NE2 3.44Å; D356-H358 PolarHBondContact O-CD2 3.46Å; D356-H358 VanDerWaalsContact O-CD2 3.25Å; D356-H358 PolarHBondContact O-N 3.18Å; D356-H358 IonicContact OD1-CD2 3.1Å; D356-H358 IonicContact OD1-CE1 3.12Å; D356-H358 IonicContact OD1-NE2 2.71Å; D356-H358 PolarHBondContact OD1-NE2 3.03Å; H358-I379 WeakPolarHBondContact CA-O 3.4Å; H358-I379 HydrophobicContact CB-CB 4.21Å; H358-I379 WeakPolarHBondContact CB-O 3.5Å; H358-I379 PolarHBondContact N-O 3.18Å; H358-I379 PolarHBondContact O-N 3.27Å; H358-H406 AromaticContact CE1-CE1 3.41Å; H358-H406 PolarHBondContact CE1-CE1 3.25Å; H358-H406 VanDerWaalsContact CE1-CE1 3.41Å; H358-H406 AromaticContact CE1-ND1 3.21Å; H358-H406 PolarHBondContact CE1-ND1 3.33Å; H358-H406 AromaticContact ND1-CE1 3.66Å; H358-H406 AromaticContact ND1-ND1 3.11Å; H358-H406 PolarHBondContact ND1-ND1 3.39Å; H358-H406 VanDerWaalsContact ND1-ND1 3.11Å; H358-M411 VanDerWaalsContact CE1-CE 3.43Å; H358-M411 WeakPolarHBondContact CE1-CE 3.09Å; H358-M411 PolarHBondContact CE1-SD 3.4Å; H358-M411 PolarHBondContact ND1-SD 3.01Å
359	T	96.6	Very high	94.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	85.9	177.6	55.3	0	0	0	0	110.1	F361 V376 A377 C401 Q402 F732 P733 T735	T359-F361 PolarHBondContact O-N 2.82Å; T359-V376 HydrophobicContact CG2-CG1 4.44Å; T359-A377 CarbonylContact C-O 3.5Å; T359-A377 WeakPolarHBondContact CA-O 3.45Å; T359-C401 PolarHBondContact N-SG 3.26Å; T359-C401 VanDerWaalsContact N-SG 3.44Å; T359-C401 CarbonylContact O-C 3.57Å; T359-C401 WeakPolarHBondContact O-CA 3.28Å; T359-Q402 PolarHBondContact O-N 2.82Å; T359-Q402 PolarHBondContact OG1-N 3.24Å; T359-F732 HydrophobicContact CG2-CB 3.94Å; T359-P733 WeakPolarHBondContact CB-O 3.5Å; T359-P733 WeakPolarHBondContact CG2-O 3.19Å; T359-P733 PolarHBondContact OG1-O 2.85Å; T359-T735 HydrophobicContact CG2-CG2 4.03Å
360	A	97.3	Very high	94.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	102.3	-173.2	0	0	0	0	0	111.4	F284 F362 V376 A377 I379	F284-A360 HydrophobicContact CD1-CB 4.35Å; F284-A360 HydrophobicContact CD2-CB 4.46Å; F284-A360 HydrophobicContact CE1-CB 3.71Å; F284-A360 HydrophobicContact CE2-CB 3.84Å; F284-A360 HydrophobicContact CZ-CB 3.43Å; F284-A360 VanDerWaalsContact CZ-CB 3.43Å; A360-F362 HydrophobicContact CB-CE2 4.43Å; A360-V376 WeakPolarHBondContact O-CA 3.43Å; A360-A377 HydrophobicContact CB-CB 4.46Å; A360-A377 PolarHBondContact N-O 3.42Å; A360-A377 PolarHBondContact O-N 2.79Å; A360-I379 HydrophobicContact CB-CD1 4.01Å
361	F	97.1	Very high	93.6	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.1	178.2	178.9	-142.5	0	0	0	111.7	T359 H363 D375 V376 V399 S400 Q402 H539	T359-F361 PolarHBondContact O-N 2.82Å; F361-H363 AromaticContact CD1-CD2 3.47Å; F361-H363 VanDerWaalsContact CD1-CD2 3.47Å; F361-H363 WeakPolarHBondContact CD1-CD2 3.36Å; F361-H363 AromaticContact CD1-CE1 3.62Å; F361-H363 AromaticContact CD1-CG 3.92Å; F361-H363 AromaticContact CD1-NE2 3.27Å; F361-H363 VanDerWaalsContact CD1-NE2 3.27Å; F361-H363 WeakPolarHBondContact CD1-NE2 3.47Å; F361-H363 HydrophobicContact CE1-CB 4.48Å; F361-H363 AromaticContact CE1-CD2 3.73Å; F361-H363 AromaticContact CE1-CE1 3.51Å; F361-H363 AromaticContact CE1-CG 3.68Å; F361-H363 AromaticContact CE1-ND1 3.57Å; F361-H363 AromaticContact CE1-NE2 3.64Å; F361-D375 HydrophobicContact CD2-CB 4.15Å; F361-D375 WeakPolarHBondContact CD2-O 3.38Å; F361-D375 HydrophobicContact CE2-CB 3.93Å; F361-D375 WeakPolarHBondContact CE2-OD2 3.47Å; F361-V376 HydrophobicContact CB-CG2 3.94Å; F361-V376 HydrophobicContact CD2-CG2 3.89Å; F361-V376 HydrophobicContact CG-CG2 4.2Å; F361-V399 WeakPolarHBondContact O-CA 3.34Å; F361-S400 PolarHBondContact N-O 2.89Å; F361-S400 PolarHBondContact O-N 2.9Å; F361-Q402 HydrophobicContact CB-CG 3.4Å; F361-Q402 VanDerWaalsContact CB-CG 3.4Å; F361-Q402 HydrophobicContact CD1-CG 4.16Å; F361-Q402 HydrophobicContact CG-CG 4.17Å; F361-H539 AromaticContact CD2-CE1 3.59Å; F361-H539 AromaticContact CD2-ND1 3.83Å; F361-H539 AromaticContact CE2-CE1 3.6Å; F361-H539 AromaticContact CE2-ND1 3.53Å; F361-H539 AromaticContact CG-CE1 3.86Å; F361-H539 AromaticContact CZ-CE1 3.82Å; F361-H539 AromaticContact CZ-ND1 3.97Å
362	F	96.4	Very high	93.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	94.4	175.5	-71.8	-100.5	0	0	0	110.1	L282 W346 L348 A360 G364 Q365 L367 D375 M389 V399 Y415	L282-F362 HydrophobicContact CD1-CZ 4.33Å; W346-F362 AromaticContact CD2-CE1 3.7Å; W346-F362 HydrophobicContact CD2-CE1 3.7Å; W346-F362 AromaticContact CD2-CZ 4Å; W346-F362 HydrophobicContact CD2-CZ 4Å; W346-F362 AromaticContact CE2-CE1 3.61Å; W346-F362 AromaticContact CE3-CE1 3.85Å; W346-F362 HydrophobicContact CE3-CE1 3.85Å; W346-F362 HydrophobicContact CE3-CZ 4.09Å; W346-F362 HydrophobicContact CG-CE1 4.33Å; W346-F362 HydrophobicContact CG-CZ 4.31Å; W346-F362 AromaticContact CH2-CE1 3.85Å; W346-F362 HydrophobicContact CH2-CE1 3.85Å; W346-F362 HydrophobicContact CZ2-CD1 4.18Å; W346-F362 AromaticContact CZ2-CE1 3.68Å; W346-F362 HydrophobicContact CZ2-CE1 3.68Å; W346-F362 AromaticContact CZ3-CE1 3.95Å; W346-F362 HydrophobicContact CZ3-CE1 3.95Å; L348-F362 HydrophobicContact CD1-CE2 3.96Å; L348-F362 HydrophobicContact CD1-CZ 4.19Å; L348-F362 HydrophobicContact CD2-CZ 4.17Å; A360-F362 HydrophobicContact CB-CE2 4.43Å; F362-G364 PolarHBondContact O-N 2.91Å; F362-Q365 PolarHBondContact O-N 2.67Å; F362-L367 HydrophobicContact CD2-CD1 3.77Å; F362-L367 HydrophobicContact CD2-CD2 4.21Å; F362-L367 HydrophobicContact CD2-CG 4.26Å; F362-L367 HydrophobicContact CE2-CD1 3.99Å; F362-L367 HydrophobicContact CE2-CD2 4.47Å; F362-L367 HydrophobicContact CG-CD2 4.37Å; F362-D375 PolarHBondContact N-O 3.05Å; F362-D375 VanDerWaalsContact N-O 3.09Å; F362-M389 HydrophobicContact CB-CE 3.91Å; F362-M389 HydrophobicContact CD1-CE 3.62Å; F362-M389 HydrophobicContact CE1-CE 4.38Å; F362-M389 HydrophobicContact CG-CE 3.89Å; F362-V399 HydrophobicContact CD1-CB 4.21Å; F362-V399 HydrophobicContact CD1-CG2 3.89Å; F362-V399 HydrophobicContact CD2-CG2 4.17Å; F362-V399 HydrophobicContact CE1-CB 4.24Å; F362-V399 HydrophobicContact CE1-CG2 3.68Å; F362-V399 HydrophobicContact CE2-CG2 3.97Å; F362-V399 HydrophobicContact CG-CG2 4.14Å; F362-V399 HydrophobicContact CZ-CG2 3.72Å; F362-Y415 HydrophobicContact CD1-CE1 4.15Å
363	H	94.9	Very high	93.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	130.7	-173.9	-67.8	-118.8	0	0	0	110.7	F361 Q365 W397 L398 S400 Y415 T550	F361-H363 AromaticContact CD1-CD2 3.47Å; F361-H363 VanDerWaalsContact CD1-CD2 3.47Å; F361-H363 WeakPolarHBondContact CD1-CD2 3.36Å; F361-H363 AromaticContact CD1-CE1 3.62Å; F361-H363 AromaticContact CD1-CG 3.92Å; F361-H363 AromaticContact CD1-NE2 3.27Å; F361-H363 VanDerWaalsContact CD1-NE2 3.27Å; F361-H363 WeakPolarHBondContact CD1-NE2 3.47Å; F361-H363 HydrophobicContact CE1-CB 4.48Å; F361-H363 AromaticContact CE1-CD2 3.73Å; F361-H363 AromaticContact CE1-CE1 3.51Å; F361-H363 AromaticContact CE1-CG 3.68Å; F361-H363 AromaticContact CE1-ND1 3.57Å; F361-H363 AromaticContact CE1-NE2 3.64Å; H363-Q365 VanDerWaalsContact C-N 3.33Å; H363-Q365 PolarHBondContact O-N 2.82Å; H363-W397 HydrophobicContact CB-CE3 4.33Å; H363-L398 HydrophobicContact CB-CB 4.33Å; H363-L398 WeakPolarHBondContact CB-O 3.29Å; H363-L398 PolarHBondContact CD2-O 2.89Å; H363-L398 PolarHBondContact N-O 2.85Å; H363-S400 PolarHBondContact NE2-OG 3.18Å; H363-Y415 PolarHBondContact O-OH 3.19Å; H363-T550 PolarHBondContact CE1-OG1 2.93Å; H363-T550 PolarHBondContact ND1-OG1 3.06Å
364	G	90.5	Very high	93.3	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.031	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	8.4	174.2	0	0	0	0	0	117	F362 Y543	F362-G364 PolarHBondContact O-N 2.91Å; G364-Y543 PolarHBondContact N-OH 3.21Å; G364-Y543 VanDerWaalsContact N-OH 3.1Å
365	Q	92.3	Very high	93.3	Very high	7 Å²	7	17 Å²	17	3%	0.033	9%	0.093	C	C	.	.			trans	-133.6	172.6	178.7	-49.3	-62.4	-30.2	0	0	111.2	F362 H363 M389 P391 Y415	F362-Q365 PolarHBondContact O-N 2.67Å; H363-Q365 VanDerWaalsContact C-N 3.33Å; H363-Q365 PolarHBondContact O-N 2.82Å; Q365-M389 HydrophobicContact CB-CE 3.74Å; Q365-M389 HydrophobicContact CB-SD 4.03Å; Q365-M389 HydrophobicContact CG-CE 4.34Å; Q365-M389 HydrophobicContact CG-SD 4.25Å; Q365-P391 VanDerWaalsContact OE1-CA 3.24Å; Q365-Y415 HydrophobicContact CG-CE2 4.23Å; Q365-Y415 WeakPolarHBondContact CG-OH 2.94Å
366	M	92.8	Very high	93.4	Very high	13 Å²	13	14.8 Å²	14.8	6%	0.064	8%	0.08	C	C	.	.			trans	-123.7	138.2	178.7	-167.6	72.8	70.1	0	0	110.1	H373 F542 A579 W591	M366-H373 HydrophobicContact CG-CB 4.27Å; M366-H373 HydrophobicContact SD-CB 4.17Å; M366-F542 HydrophobicContact CB-CE2 3.92Å; M366-F542 HydrophobicContact CB-CZ 3.86Å; M366-A579 HydrophobicContact CE-CB 4.18Å; M366-W591 HydrophobicContact CE-CH2 4.03Å; M366-W591 HydrophobicContact CE-CZ2 4.15Å; M366-W591 HydrophobicContact SD-CH2 3.63Å; M366-W591 HydrophobicContact SD-CZ2 4.26Å; M366-W591 HydrophobicContact SD-CZ3 4.41Å
367	L	94.6	Very high	93.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	155.1	170.7	-56.9	177.5	0	0	0	110.8	F362 H373 T374 A377 A387 E388 M389	F362-L367 HydrophobicContact CD2-CD1 3.77Å; F362-L367 HydrophobicContact CD2-CD2 4.21Å; F362-L367 HydrophobicContact CD2-CG 4.26Å; F362-L367 HydrophobicContact CE2-CD1 3.99Å; F362-L367 HydrophobicContact CE2-CD2 4.47Å; F362-L367 HydrophobicContact CG-CD2 4.37Å; L367-H373 WeakPolarHBondContact O-CA 3.29Å; L367-T374 CarbonylContact C-O 3.6Å; L367-T374 WeakPolarHBondContact CA-O 3.4Å; L367-T374 HydrophobicContact CB-CG2 4.1Å; L367-T374 VanDerWaalsContact CB-O 3.28Å; L367-T374 WeakPolarHBondContact CB-O 3.15Å; L367-T374 HydrophobicContact CD1-CG2 4.49Å; L367-T374 PolarHBondContact N-O 2.93Å; L367-T374 PolarHBondContact O-N 2.94Å; L367-T374 VanDerWaalsContact O-N 3.11Å; L367-T374 VanDerWaalsContact O-O 3.08Å; L367-A377 HydrophobicContact CD1-CB 4.32Å; L367-A387 HydrophobicContact CB-CB 4.29Å; L367-A387 HydrophobicContact CD1-CB 4.14Å; L367-A387 HydrophobicContact CD2-CB 4.15Å; L367-A387 HydrophobicContact CG-CB 4.44Å; L367-E388 CarbonylContact C-O 3.49Å; L367-E388 WeakPolarHBondContact CA-O 3.44Å; L367-M389 HydrophobicContact CD2-CB 4.21Å; L367-M389 HydrophobicContact CD2-CE 3.56Å
368	T	93.4	Very high	93.3	Very high	45 Å²	45	18.3 Å²	18.3	28%	0.276	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.5	163	-50.2	0	0	0	0	109.5	H372 H373 A387 E388	T368-H372 CarbonylContact C-O 3.56Å; T368-H372 VanDerWaalsContact CA-O 3.31Å; T368-H372 WeakPolarHBondContact CA-O 3.48Å; T368-H373 PolarHBondContact OG1-CD2 2.88Å; T368-A387 WeakPolarHBondContact O-CA 3.5Å; T368-E388 PolarHBondContact N-O 2.81Å; T368-E388 PolarHBondContact O-N 2.89Å
369	T	91.8	Very high	93.3	Very high	32 Å²	32	18.3 Å²	18.3	20%	0.196	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	177	49	0	0	0	0	109.7	G371 H372 T374 V385 A387	T369-G371 PolarHBondContact O-N 3.49Å; T369-H372 PolarHBondContact N-O 3.29Å; T369-H372 PolarHBondContact O-N 3.03Å; T369-T374 HydrophobicContact CG2-CG2 4.49Å; T369-V385 HydrophobicContact CG2-CG1 3.83Å; T369-A387 HydrophobicContact CG2-CB 3.56Å
370	R	87.4	Confident	93.2	Very high	104 Å²	104	18.5 Å²	18.5	39%	0.392	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	39.3	-177.3	-61.8	-178.8	179.9	145.9	1	114	H372 Q584 Y1071	R370-H372 PolarHBondContact O-CD2 2.9Å; R370-H372 VanDerWaalsContact O-CD2 3.31Å; R370-H372 PolarHBondContact O-N 2.76Å; R370-Q584 PolarHBondContact O-OE1 2.94Å; R370-Y1071 HydrophobicContact CB-CD1 4.35Å; R370-Y1071 HydrophobicContact CB-CE1 3.91Å; R370-Y1071 HydrophobicContact CG-CD1 4.06Å; R370-Y1071 HydrophobicContact CG-CE1 4.13Å; R370-Y1071 PolarHBondContact O-OH 2.96Å
371	G	85.5	Confident	93.2	Very high	26 Å²	26	18.5 Å²	18.5	27%	0.268	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	2	179.4	0	0	0	0	0	116.9	T369 T582	T369-G371 PolarHBondContact O-N 3.49Å; G371-T582 WeakPolarHBondContact O-CB 3.39Å; G371-T582 WeakPolarHBondContact O-CG2 3.4Å; G371-T582 PolarHBondContact O-OG1 2.83Å
372	H	89.6	Confident	93	Very high	15 Å²	15	18.4 Å²	18.4	7%	0.069	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.6	178.7	-64.2	-73.1	0	0	0	111.6	T368 T369 R370 D585 Q722	T368-H372 CarbonylContact C-O 3.56Å; T368-H372 VanDerWaalsContact CA-O 3.31Å; T368-H372 WeakPolarHBondContact CA-O 3.48Å; T369-H372 PolarHBondContact N-O 3.29Å; T369-H372 PolarHBondContact O-N 3.03Å; R370-H372 PolarHBondContact O-CD2 2.9Å; R370-H372 VanDerWaalsContact O-CD2 3.31Å; R370-H372 PolarHBondContact O-N 2.76Å; H372-D585 WeakPolarHBondContact CB-OD1 3.46Å; H372-D585 IonicContact CE1-OD1 2.67Å; H372-D585 IonicContact CG-OD1 2.72Å; H372-D585 IonicContact ND1-OD1 3.54Å; H372-D585 PolarHBondContact ND1-OD1 3.46Å; H372-Q722 PolarHBondContact ND1-NE2 3.11Å; H372-Q722 PolarHBondContact NE2-OE1 3.06Å
373	H	92.8	Very high	92.9	Very high	34 Å²	34	18.8 Å²	18.8	16%	0.157	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.1	174	-77.8	169.1	0	0	0	112.5	M366 L367 T368 H578 G580 T582 D585 L589	M366-H373 HydrophobicContact CG-CB 4.27Å; M366-H373 HydrophobicContact SD-CB 4.17Å; L367-H373 WeakPolarHBondContact O-CA 3.29Å; T368-H373 PolarHBondContact OG1-CD2 2.88Å; H373-H578 PolarHBondContact CE1-O 3.15Å; H373-G580 PolarHBondContact CE1-O 2.74Å; H373-G580 PolarHBondContact ND1-O 3.28Å; H373-T582 HydrophobicContact CB-CG2 4.23Å; H373-T582 VanDerWaalsContact CD2-CG2 3.41Å; H373-T582 WeakPolarHBondContact CD2-CG2 3.43Å; H373-D585 PolarHBondContact N-OD2 3.46Å; H373-L589 HydrophobicContact CB-CD1 4.16Å
374	T	93.4	Very high	92.9	Very high	18 Å²	18	19.9 Å²	19.9	11%	0.11	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.1	172.4	-173.3	0	0	0	0	109.6	L367 T369 V376	L367-T374 CarbonylContact C-O 3.6Å; L367-T374 WeakPolarHBondContact CA-O 3.4Å; L367-T374 HydrophobicContact CB-CG2 4.1Å; L367-T374 VanDerWaalsContact CB-O 3.28Å; L367-T374 WeakPolarHBondContact CB-O 3.15Å; L367-T374 HydrophobicContact CD1-CG2 4.49Å; L367-T374 PolarHBondContact N-O 2.93Å; L367-T374 PolarHBondContact O-N 2.94Å; L367-T374 VanDerWaalsContact O-N 3.11Å; L367-T374 VanDerWaalsContact O-O 3.08Å; T369-T374 HydrophobicContact CG2-CG2 4.49Å; T374-V376 VanDerWaalsContact CG2-O 3.29Å; T374-V376 WeakPolarHBondContact CG2-O 3.44Å; T374-V376 PolarHBondContact OG1-N 2.78Å; T374-V376 PolarHBondContact OG1-O 3.31Å
375	D	92.1	Very high	93.1	Very high	5 Å²	5	21 Å²	21	3%	0.027	11%	0.11	C	C	.	.	S	Bend	trans	-109.7	-9.3	166	59.5	7.7	0	0	0	112.9	F361 F362 H539 G540 W591 F736	F361-D375 HydrophobicContact CD2-CB 4.15Å; F361-D375 WeakPolarHBondContact CD2-O 3.38Å; F361-D375 HydrophobicContact CE2-CB 3.93Å; F361-D375 WeakPolarHBondContact CE2-OD2 3.47Å; F362-D375 PolarHBondContact N-O 3.05Å; F362-D375 VanDerWaalsContact N-O 3.09Å; D375-H539 VanDerWaalsContact CG-ND1 3.31Å; D375-H539 IonicContact OD1-CE1 3.43Å; D375-H539 IonicContact OD1-CG 3.36Å; D375-H539 IonicContact OD1-ND1 2.67Å; D375-H539 PolarHBondContact OD1-ND1 2.98Å; D375-H539 WeakPolarHBondContact OD2-CA 3.27Å; D375-H539 VanDerWaalsContact OD2-CB 3.25Å; D375-H539 WeakPolarHBondContact OD2-CB 3.38Å; D375-H539 IonicContact OD2-CG 3.52Å; D375-H539 IonicContact OD2-ND1 2.74Å; D375-H539 PolarHBondContact OD2-ND1 2.82Å; D375-H539 VanDerWaalsContact OD2-ND1 3.1Å; D375-G540 PolarHBondContact OD2-N 3.43Å; D375-W591 HydrophobicContact CB-CZ3 4.44Å; D375-F736 WeakPolarHBondContact OD1-CZ 3.44Å
376	V	95	Very high	93.3	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.3	175.7	176.2	0	0	0	0	110.1	T359 A360 F361 T374 H734 F736	T359-V376 HydrophobicContact CG2-CG1 4.44Å; A360-V376 WeakPolarHBondContact O-CA 3.43Å; F361-V376 HydrophobicContact CB-CG2 3.94Å; F361-V376 HydrophobicContact CD2-CG2 3.89Å; F361-V376 HydrophobicContact CG-CG2 4.2Å; T374-V376 VanDerWaalsContact CG2-O 3.29Å; T374-V376 WeakPolarHBondContact CG2-O 3.44Å; T374-V376 PolarHBondContact OG1-N 2.78Å; T374-V376 PolarHBondContact OG1-O 3.31Å; V376-H734 HydrophobicContact CG2-CB 4.39Å; V376-F736 HydrophobicContact CG2-CE1 4.43Å
377	A	95.3	Very high	93.4	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.3	165.4	0	0	0	0	0	110.1	L348 T359 A360 L367 I379	L348-A377 HydrophobicContact CD1-CB 3.6Å; T359-A377 CarbonylContact C-O 3.5Å; T359-A377 WeakPolarHBondContact CA-O 3.45Å; A360-A377 HydrophobicContact CB-CB 4.46Å; A360-A377 PolarHBondContact N-O 3.42Å; A360-A377 PolarHBondContact O-N 2.79Å; L367-A377 HydrophobicContact CD1-CB 4.32Å; A377-I379 HydrophobicContact CB-CD1 4.49Å; A377-I379 HydrophobicContact CB-CG1 4.34Å
378	Q	94.6	Very high	93.4	Very high	72 Å²	72	23.6 Å²	23.6	34%	0.336	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.1	172.3	-64.2	166.5	30.2	0	0	108.6	F380 F732 T735	Q378-F380 HydrophobicContact CB-CE2 4.04Å; Q378-F380 HydrophobicContact CB-CZ 4.22Å; Q378-F732 HydrophobicContact CG-CD2 4.27Å; Q378-T735 HydrophobicContact CG-CG2 3.62Å
379	I	94.9	Very high	93.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	133	-172	-33.5	174	0	0	0	109.2	F284 L348 F349 H358 A360 A377	F284-I379 HydrophobicContact CD2-CD1 3.78Å; F284-I379 HydrophobicContact CE2-CD1 4.26Å; F284-I379 HydrophobicContact CG-CD1 4.23Å; L348-I379 HydrophobicContact CB-CD1 3.94Å; F349-I379 VanDerWaalsContact C-CG2 3.42Å; H358-I379 WeakPolarHBondContact CA-O 3.4Å; H358-I379 HydrophobicContact CB-CB 4.21Å; H358-I379 WeakPolarHBondContact CB-O 3.5Å; H358-I379 PolarHBondContact N-O 3.18Å; H358-I379 PolarHBondContact O-N 3.27Å; A360-I379 HydrophobicContact CB-CD1 4.01Å; A377-I379 HydrophobicContact CB-CD1 4.49Å; A377-I379 HydrophobicContact CB-CG1 4.34Å
380	F	96.1	Very high	93.6	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.018	12%	0.116	C	C	.	.			trans	-132.2	178.6	179.6	-44.2	-89.2	0	0	0	108.8	G350 V357 Q378 A382 T383 F732 T1055 F1079	G350-F380 CarbonylContact C-O 3.21Å; G350-F380 WeakPolarHBondContact CA-O 3.2Å; V357-F380 HydrophobicContact CB-CD1 4.49Å; V357-F380 HydrophobicContact CB-CE1 4.44Å; V357-F380 HydrophobicContact CG1-CE1 4.05Å; V357-F380 HydrophobicContact CG2-CD1 4.19Å; V357-F380 HydrophobicContact CG2-CE1 4.25Å; Q378-F380 HydrophobicContact CB-CE2 4.04Å; Q378-F380 HydrophobicContact CB-CZ 4.22Å; F380-A382 PolarHBondContact O-N 3.29Å; F380-A382 VanDerWaalsContact O-N 3.15Å; F380-T383 WeakPolarHBondContact CA-OG1 3.47Å; F380-T383 VanDerWaalsContact CB-OG1 3.29Å; F380-T383 WeakPolarHBondContact CB-OG1 3.45Å; F380-T383 HydrophobicContact CD2-CG2 4.39Å; F380-T383 WeakPolarHBondContact CD2-OG1 3.3Å; F380-T383 PolarHBondContact N-OG1 2.88Å; F380-T383 WeakPolarHBondContact O-CB 3.39Å; F380-T383 PolarHBondContact O-N 3.12Å; F380-T383 PolarHBondContact O-OG1 3.46Å; F380-F732 AromaticContact CE1-CD1 3.67Å; F380-F732 HydrophobicContact CE1-CD1 3.67Å; F380-F732 AromaticContact CE1-CE1 3.49Å; F380-F732 HydrophobicContact CE1-CE1 3.49Å; F380-F732 VanDerWaalsContact CE1-CE1 3.49Å; F380-F732 HydrophobicContact CE1-CE2 4.45Å; F380-F732 HydrophobicContact CE1-CG 4.22Å; F380-F732 AromaticContact CE1-CZ 3.93Å; F380-F732 HydrophobicContact CE1-CZ 3.93Å; F380-F732 HydrophobicContact CE2-CE2 4.48Å; F380-F732 HydrophobicContact CE2-CZ 4.37Å; F380-F732 AromaticContact CZ-CD1 3.81Å; F380-F732 HydrophobicContact CZ-CD1 3.81Å; F380-F732 AromaticContact CZ-CD2 3.91Å; F380-F732 HydrophobicContact CZ-CD2 3.91Å; F380-F732 AromaticContact CZ-CE1 3.53Å; F380-F732 HydrophobicContact CZ-CE1 3.53Å; F380-F732 AromaticContact CZ-CE2 3.66Å; F380-F732 HydrophobicContact CZ-CE2 3.66Å; F380-F732 AromaticContact CZ-CG 3.99Å; F380-F732 HydrophobicContact CZ-CG 3.99Å; F380-F732 AromaticContact CZ-CZ 3.46Å; F380-F732 HydrophobicContact CZ-CZ 3.46Å; F380-F732 VanDerWaalsContact CZ-CZ 3.46Å; F380-T1055 HydrophobicContact CB-CG2 3.94Å; F380-F1079 AromaticContact CD1-CE1 3.81Å; F380-F1079 HydrophobicContact CD1-CE1 3.81Å; F380-F1079 HydrophobicContact CD1-CZ 4.02Å; F380-F1079 HydrophobicContact CD2-CE1 4.35Å; F380-F1079 AromaticContact CD2-CZ 3.72Å; F380-F1079 HydrophobicContact CD2-CZ 3.72Å; F380-F1079 AromaticContact CE1-CE1 3.65Å; F380-F1079 HydrophobicContact CE1-CE1 3.65Å; F380-F1079 AromaticContact CE1-CZ 3.81Å; F380-F1079 HydrophobicContact CE1-CZ 3.81Å; F380-F1079 HydrophobicContact CE2-CE1 4.24Å; F380-F1079 HydrophobicContact CE2-CE2 4.39Å; F380-F1079 AromaticContact CE2-CZ 3.53Å; F380-F1079 HydrophobicContact CE2-CZ 3.53Å; F380-F1079 HydrophobicContact CG-CE1 4.17Å; F380-F1079 AromaticContact CG-CZ 3.99Å; F380-F1079 HydrophobicContact CG-CZ 3.99Å; F380-F1079 AromaticContact CZ-CE1 3.9Å; F380-F1079 HydrophobicContact CZ-CE1 3.9Å; F380-F1079 AromaticContact CZ-CZ 3.57Å; F380-F1079 HydrophobicContact CZ-CZ 3.57Å
381	P	96.6	Very high	93.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-55.7	118.9	179.1	-30.6	39.5	0	0	0	113.2	D356 T383 T1055 V1102	D356-P381 HydrophobicContact CB-CG 3.88Å; P381-T383 VanDerWaalsContact C-N 3.27Å; P381-T383 PolarHBondContact O-N 2.73Å; P381-T1055 WeakPolarHBondContact O-CB 3.4Å; P381-T1055 VanDerWaalsContact O-CG2 3.23Å; P381-T1055 WeakPolarHBondContact O-CG2 3.48Å; P381-T1055 PolarHBondContact O-OG1 3.42Å; P381-V1102 HydrophobicContact CB-CG2 4.23Å; P381-V1102 HydrophobicContact CG-CG2 4.06Å
382	A	93.1	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.7	-171.7	0	0	0	0	0	117.1	G350 M351 F380 F384 V1075 H1101	G350-A382 PolarHBondContact O-N 3.42Å; M351-A382 HydrophobicContact CE-CB 3.91Å; F380-A382 PolarHBondContact O-N 3.29Å; F380-A382 VanDerWaalsContact O-N 3.15Å; A382-F384 HydrophobicContact CB-CE1 4.26Å; A382-F384 HydrophobicContact CB-CZ 4.03Å; A382-F384 WeakPolarHBondContact O-CD1 3.04Å; A382-F384 VanDerWaalsContact O-CE1 3.27Å; A382-F384 WeakPolarHBondContact O-CE1 3.12Å; A382-F384 WeakPolarHBondContact O-CE2 3.4Å; A382-F384 VanDerWaalsContact O-CZ 3.25Å; A382-F384 WeakPolarHBondContact O-CZ 3.49Å; A382-F384 PolarHBondContact O-N 3.12Å; A382-V1075 HydrophobicContact CB-CG1 4.46Å; A382-V1075 HydrophobicContact CB-CG2 4.18Å; A382-H1101 HydrophobicContact CB-CB 3.6Å
383	T	94.4	Very high	93.7	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.043	11%	0.11	C	C	.	.			trans	-70.7	127.7	166.7	-51	0	0	0	0	109.9	F349 G350 F380 P381 V385 D1077	F349-T383 WeakPolarHBondContact CA-O 3.32Å; G350-T383 PolarHBondContact N-O 3.45Å; F380-T383 WeakPolarHBondContact CA-OG1 3.47Å; F380-T383 VanDerWaalsContact CB-OG1 3.29Å; F380-T383 WeakPolarHBondContact CB-OG1 3.45Å; F380-T383 HydrophobicContact CD2-CG2 4.39Å; F380-T383 WeakPolarHBondContact CD2-OG1 3.3Å; F380-T383 PolarHBondContact N-OG1 2.88Å; F380-T383 WeakPolarHBondContact O-CB 3.39Å; F380-T383 PolarHBondContact O-N 3.12Å; F380-T383 PolarHBondContact O-OG1 3.46Å; P381-T383 VanDerWaalsContact C-N 3.27Å; P381-T383 PolarHBondContact O-N 2.73Å; T383-V385 HydrophobicContact CG2-CG2 4.23Å; T383-D1077 WeakPolarHBondContact CB-OD1 3.4Å; T383-D1077 WeakPolarHBondContact CG2-OD1 3.18Å; T383-D1077 PolarHBondContact OG1-OD1 2.94Å
384	F	95.2	Very high	93.6	Very high	25 Å²	25	24.1 Å²	24.1	11%	0.11	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.6	179.3	-47.2	-48	0	0	0	112.2	H182 T236 W237 I238 F349 A382 D1074 V1075	H182-F384 HydrophobicContact CB-CE2 3.89Å; H182-F384 HydrophobicContact CB-CZ 4.09Å; H182-F384 AromaticContact CE1-CZ 3.85Å; H182-F384 AromaticContact CG-CE2 3.71Å; H182-F384 AromaticContact CG-CZ 3.61Å; H182-F384 AromaticContact ND1-CE2 3.44Å; H182-F384 WeakPolarHBondContact ND1-CE2 3.3Å; H182-F384 AromaticContact ND1-CZ 3.52Å; T236-F384 HydrophobicContact CG2-CB 4.45Å; T236-F384 VanDerWaalsContact O-CB 3.3Å; T236-F384 WeakPolarHBondContact O-CB 3.44Å; W237-F384 AromaticContact CE3-CD2 3.69Å; W237-F384 HydrophobicContact CE3-CD2 3.69Å; W237-F384 HydrophobicContact CE3-CE2 4.14Å; W237-F384 HydrophobicContact CZ3-CD2 4.13Å; I238-F384 HydrophobicContact CB-CE1 4.22Å; I238-F384 HydrophobicContact CD1-CE1 3.84Å; I238-F384 HydrophobicContact CD1-CZ 4.04Å; I238-F384 HydrophobicContact CG1-CE1 3.69Å; I238-F384 HydrophobicContact CG1-CZ 3.73Å; I238-F384 HydrophobicContact CG2-CD1 4.2Å; I238-F384 HydrophobicContact CG2-CE1 3.71Å; F349-F384 HydrophobicContact CB-CD1 3.89Å; F349-F384 HydrophobicContact CB-CE1 4.48Å; A382-F384 HydrophobicContact CB-CE1 4.26Å; A382-F384 HydrophobicContact CB-CZ 4.03Å; A382-F384 WeakPolarHBondContact O-CD1 3.04Å; A382-F384 VanDerWaalsContact O-CE1 3.27Å; A382-F384 WeakPolarHBondContact O-CE1 3.12Å; A382-F384 WeakPolarHBondContact O-CE2 3.4Å; A382-F384 VanDerWaalsContact O-CZ 3.25Å; A382-F384 WeakPolarHBondContact O-CZ 3.49Å; A382-F384 PolarHBondContact O-N 3.12Å; F384-D1074 WeakPolarHBondContact CE2-OD1 3.22Å; F384-V1075 HydrophobicContact CE2-CG2 3.78Å; F384-V1075 HydrophobicContact CZ-CG2 4.27Å
385	V	95.3	Very high	93.6	Very high	25 Å²	25	24.2 Å²	24.2	15%	0.152	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.6	-179.1	179.4	0	0	0	0	110.3	T236 L348 T369 T383 A387	T236-V385 PolarHBondContact OG1-O 3.24Å; L348-V385 HydrophobicContact CB-CB 4.26Å; L348-V385 PolarHBondContact N-O 2.72Å; L348-V385 PolarHBondContact O-N 3.34Å; T369-V385 HydrophobicContact CG2-CG1 3.83Å; T383-V385 HydrophobicContact CG2-CG2 4.23Å; V385-A387 HydrophobicContact CG1-CB 4.46Å
386	T	95.8	Very high	93.7	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.092	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.9	167.1	-43.1	0	0	0	0	108.4	P232 T236	P232-T386 HydrophobicContact CB-CG2 4.34Å; P232-T386 HydrophobicContact CG-CG2 4.34Å; T236-T386 PolarHBondContact N-OG1 2.84Å; T236-T386 PolarHBondContact OG1-OG1 2.94Å
387	A	95.6	Very high	93.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-178.2	0	0	0	0	0	111.2	W346 L367 T368 T369 V385	W346-A387 HydrophobicContact CB-CB 4.33Å; W346-A387 PolarHBondContact N-O 2.8Å; W346-A387 PolarHBondContact O-N 2.94Å; L367-A387 HydrophobicContact CB-CB 4.29Å; L367-A387 HydrophobicContact CD1-CB 4.14Å; L367-A387 HydrophobicContact CD2-CB 4.15Å; L367-A387 HydrophobicContact CG-CB 4.44Å; T368-A387 WeakPolarHBondContact O-CA 3.5Å; T369-A387 HydrophobicContact CG2-CB 3.56Å; V385-A387 HydrophobicContact CG1-CB 4.46Å
388	E	94.6	Very high	93.7	Very high	60 Å²	60	25.1 Å²	25.1	28%	0.28	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.2	173.8	-65.4	-171.8	-170.8	0	0	110.6	L367 T368	L367-E388 CarbonylContact C-O 3.49Å; L367-E388 WeakPolarHBondContact CA-O 3.44Å; T368-E388 PolarHBondContact N-O 2.81Å; T368-E388 PolarHBondContact O-N 2.89Å
389	M	94.6	Very high	93.8	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.02	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.4	176	-177.8	-173.4	-78	0	0	110.4	V344 W346 F362 Q365 L367 P391	V344-M389 HydrophobicContact CB-CB 4.5Å; V344-M389 PolarHBondContact N-O 3.44Å; V344-M389 PolarHBondContact O-N 2.73Å; W346-M389 HydrophobicContact CZ2-CE 4.47Å; W346-M389 HydrophobicContact CZ2-SD 4.36Å; W346-M389 PolarHBondContact NE1-SD 3.04Å; F362-M389 HydrophobicContact CB-CE 3.91Å; F362-M389 HydrophobicContact CD1-CE 3.62Å; F362-M389 HydrophobicContact CE1-CE 4.38Å; F362-M389 HydrophobicContact CG-CE 3.89Å; Q365-M389 HydrophobicContact CB-CE 3.74Å; Q365-M389 HydrophobicContact CB-SD 4.03Å; Q365-M389 HydrophobicContact CG-CE 4.34Å; Q365-M389 HydrophobicContact CG-SD 4.25Å; L367-M389 HydrophobicContact CD2-CB 4.21Å; L367-M389 HydrophobicContact CD2-CE 3.56Å; M389-P391 HydrophobicContact SD-CB 4.16Å
390	V	93.5	Very high	93.8	Very high	51 Å²	51	21.7 Å²	21.7	31%	0.309	12%	0.118	S	C	.	.			trans	-119	107.2	157.9	179.9	0	0	0	0	106.5	R343 W392	R343-V390 HydrophobicContact CG-CG2 4.14Å; V390-W392 HydrophobicContact CG1-CZ2 4.39Å; V390-W392 PolarHBondContact O-NE1 3.45Å
391	P	92.3	Very high	93.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.			trans	-79.2	136.6	-178.4	31.9	-30.2	0	0	0	109.7	M338 C339 A340 Q341 R342 V344 Q365 M389 V417	M338-P391 HydrophobicContact CG-CG 4.18Å; M338-P391 HydrophobicContact SD-CB 4.19Å; M338-P391 HydrophobicContact SD-CG 3.91Å; C339-P391 WeakPolarHBondContact O-CG 3.01Å; A340-P391 CarbonylContact C-O 3.3Å; A340-P391 WeakPolarHBondContact CA-O 2.99Å; Q341-P391 PolarHBondContact N-O 2.94Å; R342-P391 WeakPolarHBondContact O-CD 3.48Å; V344-P391 HydrophobicContact CG2-CG 4.46Å; Q365-P391 VanDerWaalsContact OE1-CA 3.24Å; M389-P391 HydrophobicContact SD-CB 4.16Å; P391-V417 HydrophobicContact CB-CG1 4.01Å; P391-V417 HydrophobicContact CB-CG2 3.75Å; P391-V417 HydrophobicContact CG-CG1 4.36Å; P391-V417 HydrophobicContact CG-CG2 4.45Å
392	W	86.5	Confident	93.9	Very high	76 Å²	76	21.9 Å²	21.9	29%	0.288	12%	0.118	S	C	.	.			trans	-106.4	-60.7	-175.6	-71.5	82.4	0	0	0	112.2	Q341 V390 P394 F542 H578	Q341-W392 HydrophobicContact CG-CE3 4.06Å; Q341-W392 HydrophobicContact CG-CZ3 4.09Å; V390-W392 HydrophobicContact CG1-CZ2 4.39Å; V390-W392 PolarHBondContact O-NE1 3.45Å; W392-P394 WeakPolarHBondContact O-CD 3.39Å; W392-F542 HydrophobicContact CB-CD1 4.42Å; W392-F542 HydrophobicContact CB-CE1 4.13Å; W392-F542 AromaticContact CD1-CE1 3.94Å; W392-F542 HydrophobicContact CG-CE1 4.34Å; W392-H578 AromaticContact CD1-CD2 3.95Å; W392-H578 AromaticContact CD1-CE1 3.78Å; W392-H578 AromaticContact CD1-NE2 3.46Å; W392-H578 AromaticContact CD2-CE1 3.4Å; W392-H578 AromaticContact CD2-NE2 3.86Å; W392-H578 AromaticContact CE2-CE1 3.2Å; W392-H578 AromaticContact CE2-CG 3.94Å; W392-H578 AromaticContact CE2-ND1 3.4Å; W392-H578 AromaticContact CE2-NE2 3.68Å; W392-H578 AromaticContact CE3-CE1 3.9Å; W392-H578 AromaticContact CG-CE1 3.81Å; W392-H578 AromaticContact CG-NE2 3.77Å; W392-H578 AromaticContact CH2-ND1 3.9Å; W392-H578 AromaticContact CZ2-CE1 3.58Å; W392-H578 AromaticContact CZ2-ND1 3.33Å; W392-H578 VanDerWaalsContact CZ2-ND1 3.33Å; W392-H578 WeakPolarHBondContact CZ2-ND1 3.5Å; W392-H578 AromaticContact NE1-CD2 3.59Å; W392-H578 AromaticContact NE1-CE1 3.45Å; W392-H578 PolarHBondContact NE1-CE1 3.01Å; W392-H578 AromaticContact NE1-CG 3.77Å; W392-H578 AromaticContact NE1-ND1 3.7Å; W392-H578 AromaticContact NE1-NE2 3.41Å; W392-H578 PolarHBondContact NE1-NE2 3.21Å
393	E	86.9	Confident	94	Very high	69 Å²	69	21.9 Å²	21.9	32%	0.322	12%	0.118	S	C	.	.	S	Bend	trans	-79.4	119.3	-171	-64	-51.1	138.6	0	0	112.7	G395 W397	E393-G395 PolarHBondContact O-N 3.3Å; E393-W397 HydrophobicContact CB-CZ2 3.75Å; E393-W397 PolarHBondContact O-NE1 3.19Å
394	P	91.1	Very high	94.1	Very high	68 Å²	68	22.1 Å²	22.1	44%	0.442	12%	0.12	S	C	.	.			trans	-68.5	131	178.5	-18.4	32.7	0	0	0	112.2	W392 V417	W392-P394 WeakPolarHBondContact O-CD 3.39Å; P394-V417 WeakPolarHBondContact CA-O 3.37Å
395	G	91.8	Very high	93.9	Very high	20 Å²	20	21.4 Å²	21.4	21%	0.206	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	178.8	-178.1	0	0	0	0	0	113.5	E393 K416 V417	E393-G395 PolarHBondContact O-N 3.3Å; G395-K416 WeakPolarHBondContact O-CA 3.26Å; G395-V417 PolarHBondContact N-O 3.16Å; G395-V417 PolarHBondContact O-N 3.19Å
396	T	94	Very high	94	Very high	29 Å²	29	20.2 Å²	20.2	18%	0.178	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.1	164	-47.3	0	0	0	0	107.9	L414 Y415 K545 D554	T396-L414 HydrophobicContact CG2-CB 4.13Å; T396-L414 HydrophobicContact CG2-CD1 4.22Å; T396-L414 HydrophobicContact CG2-CD2 4.46Å; T396-Y415 CarbonylContact C-O 3.58Å; T396-Y415 WeakPolarHBondContact CA-O 3.2Å; T396-K545 WeakPolarHBondContact O-CE 3.26Å; T396-K545 PolarHBondContact O-NZ 3.05Å; T396-D554 WeakPolarHBondContact CB-O 3.47Å; T396-D554 PolarHBondContact OG1-O 3.38Å
397	W	95.1	Very high	94	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.4	-173.3	-68	103.4	0	0	0	111.2	H363 E393 L414 Y415 Y543 K545 E548	H363-W397 HydrophobicContact CB-CE3 4.33Å; E393-W397 HydrophobicContact CB-CZ2 3.75Å; E393-W397 PolarHBondContact O-NE1 3.19Å; W397-L414 WeakPolarHBondContact O-CA 3.33Å; W397-Y415 HydrophobicContact CB-CD1 3.96Å; W397-Y415 HydrophobicContact CB-CD2 4.12Å; W397-Y415 HydrophobicContact CB-CE1 3.46Å; W397-Y415 VanDerWaalsContact CB-CE1 3.46Å; W397-Y415 HydrophobicContact CB-CE2 3.66Å; W397-Y415 HydrophobicContact CB-CG 4.26Å; W397-Y415 HydrophobicContact CG-CE2 4.17Å; W397-Y415 PolarHBondContact N-O 2.84Å; W397-Y415 VanDerWaalsContact O-CD1 3.29Å; W397-Y415 WeakPolarHBondContact O-CD1 3.46Å; W397-Y415 PolarHBondContact O-N 3.1Å; W397-Y543 HydrophobicContact CH2-CD2 4.34Å; W397-Y543 HydrophobicContact CH2-CE2 4.02Å; W397-Y543 HydrophobicContact CZ3-CD2 4.42Å; W397-Y543 AromaticContact CZ3-CE2 3.66Å; W397-Y543 HydrophobicContact CZ3-CE2 3.66Å; W397-K545 HydrophobicContact CE3-CD 4.47Å; W397-K545 HydrophobicContact CH2-CD 3.74Å; W397-K545 HydrophobicContact CH2-CG 4.46Å; W397-K545 HydrophobicContact CZ2-CD 4.02Å; W397-K545 HydrophobicContact CZ2-CG 4.44Å; W397-K545 HydrophobicContact CZ3-CD 3.98Å; W397-K545 VanDerWaalsContact CZ3-NZ 3.26Å; W397-E548 WeakPolarHBondContact CZ3-OE1 3.36Å
398	L	95.7	Very high	93.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.3	175.1	-179.7	60.5	0	0	0	110.5	I101 H363 Q412 A413 L414 Y415 T550 Y552	I101-L398 HydrophobicContact CD1-CD1 4.14Å; H363-L398 HydrophobicContact CB-CB 4.33Å; H363-L398 WeakPolarHBondContact CB-O 3.29Å; H363-L398 PolarHBondContact CD2-O 2.89Å; H363-L398 PolarHBondContact N-O 2.85Å; L398-Q412 HydrophobicContact CD1-CB 4.18Å; L398-A413 WeakPolarHBondContact CD1-O 3.2Å; L398-L414 HydrophobicContact CB-CD2 4.41Å; L398-L414 HydrophobicContact CD1-CD2 4.18Å; L398-Y415 WeakPolarHBondContact O-CE1 3.21Å; L398-T550 HydrophobicContact CD2-CG2 4.19Å; L398-Y552 HydrophobicContact CB-CD1 4.22Å; L398-Y552 HydrophobicContact CB-CD2 4.17Å; L398-Y552 HydrophobicContact CB-CE1 3.81Å; L398-Y552 HydrophobicContact CB-CE2 3.75Å; L398-Y552 HydrophobicContact CB-CG 4.38Å; L398-Y552 HydrophobicContact CD2-CD1 3.97Å; L398-Y552 HydrophobicContact CD2-CE1 4.21Å; L398-Y552 HydrophobicContact CD2-CG 4.29Å; L398-Y552 PolarHBondContact N-OH 2.96Å; L398-Y552 VanDerWaalsContact N-OH 3.15Å
399	V	96.4	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	156.7	60.7	0	0	0	0	107.6	F284 F361 F362 A413 Y415	F284-V399 HydrophobicContact CZ-CG2 4.31Å; F361-V399 WeakPolarHBondContact O-CA 3.34Å; F362-V399 HydrophobicContact CD1-CB 4.21Å; F362-V399 HydrophobicContact CD1-CG2 3.89Å; F362-V399 HydrophobicContact CD2-CG2 4.17Å; F362-V399 HydrophobicContact CE1-CB 4.24Å; F362-V399 HydrophobicContact CE1-CG2 3.68Å; F362-V399 HydrophobicContact CE2-CG2 3.97Å; F362-V399 HydrophobicContact CG-CG2 4.14Å; F362-V399 HydrophobicContact CZ-CG2 3.72Å; V399-A413 HydrophobicContact CG1-CB 3.9Å; V399-A413 PolarHBondContact N-O 3.45Å; V399-A413 PolarHBondContact O-N 3.15Å; V399-A413 VanDerWaalsContact O-O 3.12Å; V399-Y415 HydrophobicContact CB-CD1 4.1Å; V399-Y415 HydrophobicContact CB-CE1 4.16Å; V399-Y415 HydrophobicContact CG1-CD1 4.22Å
400	S	96	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.9	-172	53.3	0	0	0	0	111.4	F361 H363 Q402	F361-S400 PolarHBondContact N-O 2.89Å; F361-S400 PolarHBondContact O-N 2.9Å; H363-S400 PolarHBondContact NE2-OG 3.18Å; S400-Q402 PolarHBondContact OG-NE2 2.97Å
401	C	97.6	Very high	94.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	142.6	161.8	-168.6	0	0	0	0	108.9	F284 T359 H406 F407 M411	F284-C401 HydrophobicContact CD1-CB 4.43Å; T359-C401 PolarHBondContact N-SG 3.26Å; T359-C401 VanDerWaalsContact N-SG 3.44Å; T359-C401 CarbonylContact O-C 3.57Å; T359-C401 WeakPolarHBondContact O-CA 3.28Å; C401-H406 HydrophobicContact CB-CB 4.06Å; C401-F407 WeakPolarHBondContact O-CD2 3.36Å; C401-M411 HydrophobicContact CB-CB 4.08Å; C401-M411 HydrophobicContact CB-CG 3.9Å; C401-M411 HydrophobicContact CB-SD 3.67Å; C401-M411 PolarHBondContact N-O 3.28Å; C401-M411 VanDerWaalsContact N-O 3.1Å
402	Q	96.1	Very high	94.3	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.037	11%	0.107	C	C	.	.			trans	-108.4	11.3	-179.6	-60	-64.4	-105.7	0	0	114	T359 F361 S400 H734	T359-Q402 PolarHBondContact O-N 2.82Å; T359-Q402 PolarHBondContact OG1-N 3.24Å; F361-Q402 HydrophobicContact CB-CG 3.4Å; F361-Q402 VanDerWaalsContact CB-CG 3.4Å; F361-Q402 HydrophobicContact CD1-CG 4.16Å; F361-Q402 HydrophobicContact CG-CG 4.17Å; S400-Q402 PolarHBondContact OG-NE2 2.97Å; Q402-H734 HydrophobicContact CB-CB 3.67Å; Q402-H734 VanDerWaalsContact CB-CD2 3.47Å; Q402-H734 WeakPolarHBondContact CB-CD2 3.39Å; Q402-H734 VanDerWaalsContact CB-CG 3.41Å; Q402-H734 HydrophobicContact CG-CB 4.06Å
403	V	96.8	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-72.5	127.9	162.9	-176.6	0	0	0	0	108.9	V357 S405 H406 F407 T705 E706 P733	V357-V403 HydrophobicContact CG1-CG2 4.24Å; V357-V403 WeakPolarHBondContact O-CG2 3.2Å; V403-S405 VanDerWaalsContact C-N 3.31Å; V403-S405 WeakPolarHBondContact CG1-OG 3.4Å; V403-S405 PolarHBondContact O-N 3.12Å; V403-H406 HydrophobicContact CB-CB 4.34Å; V403-H406 PolarHBondContact O-N 2.7Å; V403-F407 WeakPolarHBondContact O-CB 3.27Å; V403-F407 PolarHBondContact O-N 3.43Å; V403-T705 VanDerWaalsContact CG1-C 3.45Å; V403-E706 HydrophobicContact CG1-CB 4.19Å; V403-P733 HydrophobicContact CG2-CB 4.15Å; V403-P733 HydrophobicContact CG2-CG 3.98Å
404	N	94.7	Very high	95.2	Very high	13 Å²	13	15.8 Å²	15.8	7%	0.07	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-33.7	-167.4	-85.6	-34.8	0	0	0	114.5	R408 I600 G704 T705	N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.19Å; N404-I600 HydrophobicContact CB-CG1 4.23Å; N404-I600 HydrophobicContact CB-CG2 4.21Å; N404-I600 VanDerWaalsContact O-CD1 3.3Å; N404-I600 WeakPolarHBondContact O-CD1 3.17Å; N404-I600 WeakPolarHBondContact OD1-CG1 3.44Å; N404-G704 WeakPolarHBondContact CB-O 3.48Å; N404-G704 PolarHBondContact N-O 3.46Å; N404-G704 PolarHBondContact ND2-O 3.36Å; N404-T705 HydrophobicContact CB-CG2 3.94Å
405	S	92.8	Very high	95.4	Very high	9 Å²	9	12.6 Å²	12.6	6%	0.063	6%	0.063	C	C	.	.	H	α-helix	trans	-67	-59.1	172.4	47.3	0	0	0	0	111	V403 F407 R408 D409 E706	V403-S405 VanDerWaalsContact C-N 3.31Å; V403-S405 WeakPolarHBondContact CG1-OG 3.4Å; V403-S405 PolarHBondContact O-N 3.12Å; S405-F407 VanDerWaalsContact C-N 3.26Å; S405-F407 PolarHBondContact O-N 3.47Å; S405-R408 WeakPolarHBondContact O-CA 3.26Å; S405-R408 VanDerWaalsContact O-CB 3.26Å; S405-R408 WeakPolarHBondContact O-CB 3.49Å; S405-R408 PolarHBondContact O-N 3.07Å; S405-D409 PolarHBondContact O-N 2.58Å; S405-E706 WeakPolarHBondContact CB-OE2 3.35Å; S405-E706 PolarHBondContact OG-OE2 3.03Å
406	H	96.4	Very high	95.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-36.6	-176.1	-52.1	167.4	0	0	0	112.1	H323 V355 V357 H358 C401 V403 G410 M411	H323-H406 AromaticContact CD2-CD2 3.39Å; H323-H406 PolarHBondContact CD2-CD2 3.01Å; H323-H406 AromaticContact CD2-CG 3.99Å; H323-H406 AromaticContact NE2-CD2 3.59Å; V355-H406 PolarHBondContact O-CE1 3.08Å; V355-H406 PolarHBondContact O-NE2 2.94Å; V357-H406 PolarHBondContact O-CE1 3.45Å; V357-H406 PolarHBondContact O-ND1 3.13Å; H358-H406 AromaticContact CE1-CE1 3.41Å; H358-H406 PolarHBondContact CE1-CE1 3.25Å; H358-H406 VanDerWaalsContact CE1-CE1 3.41Å; H358-H406 AromaticContact CE1-ND1 3.21Å; H358-H406 PolarHBondContact CE1-ND1 3.33Å; H358-H406 AromaticContact ND1-CE1 3.66Å; H358-H406 AromaticContact ND1-ND1 3.11Å; H358-H406 PolarHBondContact ND1-ND1 3.39Å; H358-H406 VanDerWaalsContact ND1-ND1 3.11Å; C401-H406 HydrophobicContact CB-CB 4.06Å; V403-H406 HydrophobicContact CB-CB 4.34Å; V403-H406 PolarHBondContact O-N 2.7Å; H406-G410 PolarHBondContact O-N 2.89Å; H406-M411 HydrophobicContact CB-CB 4.01Å; H406-M411 HydrophobicContact CB-CE 4.45Å; H406-M411 HydrophobicContact CB-SD 4.13Å; H406-M411 VanDerWaalsContact O-CB 3.23Å; H406-M411 WeakPolarHBondContact O-CB 3.27Å; H406-M411 PolarHBondContact O-N 2.88Å
407	F	94.8	Very high	95.6	Very high	29 Å²	29	13.6 Å²	13.6	13%	0.127	6%	0.06	C	C	.	.	H	α-helix	trans	-64.5	-40.9	173.7	-175.1	-87.3	0	0	0	112.5	C401 V403 S405 Q412 P599 I600	C401-F407 WeakPolarHBondContact O-CD2 3.36Å; V403-F407 WeakPolarHBondContact O-CB 3.27Å; V403-F407 PolarHBondContact O-N 3.43Å; S405-F407 VanDerWaalsContact C-N 3.26Å; S405-F407 PolarHBondContact O-N 3.47Å; F407-Q412 HydrophobicContact CD2-CG 4.4Å; F407-Q412 PolarHBondContact O-NE2 2.68Å; F407-P599 HydrophobicContact CD1-CG 4.19Å; F407-P599 HydrophobicContact CE1-CG 3.47Å; F407-P599 VanDerWaalsContact CE1-CG 3.47Å; F407-P599 HydrophobicContact CZ-CG 3.66Å; F407-I600 HydrophobicContact CD1-CD1 4.18Å; F407-I600 HydrophobicContact CD1-CG1 4.41Å
408	R	94.1	Very high	95.4	Very high	110 Å²	110	18.1 Å²	18.1	42%	0.415	8%	0.08	S	C	.	.	H	α-helix	trans	-65.6	-47.3	177.6	-175.1	-173	68.8	-143.2	6.3	111.4	V111 N404 S405 G410 I600	V111-R408 HydrophobicContact CG1-CG 4.27Å; N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.19Å; S405-R408 WeakPolarHBondContact O-CA 3.26Å; S405-R408 VanDerWaalsContact O-CB 3.26Å; S405-R408 WeakPolarHBondContact O-CB 3.49Å; S405-R408 PolarHBondContact O-N 3.07Å; R408-G410 VanDerWaalsContact C-N 3.33Å; R408-G410 PolarHBondContact O-N 3.3Å; R408-I600 HydrophobicContact CB-CD1 3.7Å; R408-I600 HydrophobicContact CG-CD1 4.29Å
409	D	95.3	Very high	95.1	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-93.7	6.6	-166	-58.9	-31.8	0	0	0	113.5	V111 F115 H323 F330 S405	V111-D409 WeakPolarHBondContact CG1-OD1 3.32Å; F115-D409 HydrophobicContact CE2-CB 3.76Å; F115-D409 HydrophobicContact CZ-CB 3.68Å; H323-D409 HydrophobicContact CB-CB 4.29Å; F330-D409 VanDerWaalsContact CZ-C 3.47Å; F330-D409 WeakPolarHBondContact CZ-O 3.4Å; S405-D409 PolarHBondContact O-N 2.58Å
410	G	93.9	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.9	8.6	154.5	0	0	0	0	0	116.7	H323 V329 F330 H406 R408 Q412	H323-G410 CarbonylContact O-C 3.51Å; V329-G410 CarbonylContact C-O 3.49Å; F330-G410 PolarHBondContact N-O 3.14Å; H406-G410 PolarHBondContact O-N 2.89Å; R408-G410 VanDerWaalsContact C-N 3.33Å; R408-G410 PolarHBondContact O-N 3.3Å; G410-Q412 PolarHBondContact O-N 2.93Å
411	M	97.4	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	-77.4	66.2	-175.9	-161.5	174	-74.9	0	0	112.7	F284 S285 V286 H323 I325 H358 C401 H406	F284-M411 HydrophobicContact CB-SD 4.34Å; F284-M411 HydrophobicContact CD1-CG 4.07Å; F284-M411 HydrophobicContact CD1-SD 3.78Å; S285-M411 WeakPolarHBondContact O-CE 3.39Å; V286-M411 HydrophobicContact CG2-CE 4.15Å; H323-M411 HydrophobicContact CB-CB 4.48Å; H323-M411 HydrophobicContact CB-CE 4.25Å; H323-M411 WeakPolarHBondContact O-CA 3.23Å; H323-M411 PolarHBondContact O-N 3.07Å; I325-M411 HydrophobicContact CD1-CG 4.36Å; I325-M411 HydrophobicContact CG1-CG 3.83Å; H358-M411 VanDerWaalsContact CE1-CE 3.43Å; H358-M411 WeakPolarHBondContact CE1-CE 3.09Å; H358-M411 PolarHBondContact CE1-SD 3.4Å; H358-M411 PolarHBondContact ND1-SD 3.01Å; C401-M411 HydrophobicContact CB-CB 4.08Å; C401-M411 HydrophobicContact CB-CG 3.9Å; C401-M411 HydrophobicContact CB-SD 3.67Å; C401-M411 PolarHBondContact N-O 3.28Å; C401-M411 VanDerWaalsContact N-O 3.1Å; H406-M411 HydrophobicContact CB-CB 4.01Å; H406-M411 HydrophobicContact CB-CE 4.45Å; H406-M411 HydrophobicContact CB-SD 4.13Å; H406-M411 VanDerWaalsContact O-CB 3.23Å; H406-M411 WeakPolarHBondContact O-CB 3.27Å; H406-M411 PolarHBondContact O-N 2.88Å
412	Q	96.6	Very high	91.4	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.056	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.8	-169.7	-62.2	177.3	-33.2	0	0	110.3	I101 G331 L398 F407 G410	I101-Q412 HydrophobicContact CD1-CB 4.24Å; I101-Q412 HydrophobicContact CG1-CB 3.9Å; G331-Q412 WeakPolarHBondContact CA-O 3.41Å; G331-Q412 PolarHBondContact N-O 3.24Å; L398-Q412 HydrophobicContact CD1-CB 4.18Å; F407-Q412 HydrophobicContact CD2-CG 4.4Å; F407-Q412 PolarHBondContact O-NE2 2.68Å; G410-Q412 PolarHBondContact O-N 2.93Å
413	A	96.8	Very high	89.1	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.9	175.5	0	0	0	0	0	112.4	I325 L333 L398 V399	I325-A413 HydrophobicContact CD1-CB 3.99Å; L333-A413 HydrophobicContact CB-CB 3.8Å; L333-A413 HydrophobicContact CD2-CB 3.51Å; L333-A413 HydrophobicContact CG-CB 4.3Å; L398-A413 WeakPolarHBondContact CD1-O 3.2Å; V399-A413 HydrophobicContact CG1-CB 3.9Å; V399-A413 PolarHBondContact N-O 3.45Å; V399-A413 PolarHBondContact O-N 3.15Å; V399-A413 VanDerWaalsContact O-O 3.12Å
414	L	95.9	Very high	86.7	Confident	26 Å²	26	48.1 Å²	48.1	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.5	-179.2	-61.2	177.2	0	0	0	111.1	V100 I101 T396 W397 L398 Y552	V100-L414 HydrophobicContact CG1-CD1 4.23Å; I101-L414 HydrophobicContact CD1-CD1 4.18Å; I101-L414 HydrophobicContact CD1-CD2 3.82Å; I101-L414 HydrophobicContact CD1-CG 3.75Å; T396-L414 HydrophobicContact CG2-CB 4.13Å; T396-L414 HydrophobicContact CG2-CD1 4.22Å; T396-L414 HydrophobicContact CG2-CD2 4.46Å; W397-L414 WeakPolarHBondContact O-CA 3.33Å; L398-L414 HydrophobicContact CB-CD2 4.41Å; L398-L414 HydrophobicContact CD1-CD2 4.18Å; L414-Y552 HydrophobicContact CD2-CD2 3.89Å; L414-Y552 HydrophobicContact CD2-CE2 4.04Å
415	Y	95.3	Very high	84.6	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	163	171.1	70.3	-83.8	0	0	0	111.4	L336 M338 F362 H363 Q365 T396 W397 L398 V399 V417	L336-Y415 CarbonylContact O-C 3.57Å; L336-Y415 WeakPolarHBondContact O-CA 3.24Å; M338-Y415 HydrophobicContact CE-CD2 3.64Å; M338-Y415 HydrophobicContact CE-CE2 4.46Å; M338-Y415 HydrophobicContact CE-CG 4.22Å; M338-Y415 HydrophobicContact SD-CD2 3.89Å; M338-Y415 HydrophobicContact SD-CE2 4.28Å; F362-Y415 HydrophobicContact CD1-CE1 4.15Å; H363-Y415 PolarHBondContact O-OH 3.19Å; Q365-Y415 HydrophobicContact CG-CE2 4.23Å; Q365-Y415 WeakPolarHBondContact CG-OH 2.94Å; T396-Y415 CarbonylContact C-O 3.58Å; T396-Y415 WeakPolarHBondContact CA-O 3.2Å; W397-Y415 HydrophobicContact CB-CD1 3.96Å; W397-Y415 HydrophobicContact CB-CD2 4.12Å; W397-Y415 HydrophobicContact CB-CE1 3.46Å; W397-Y415 VanDerWaalsContact CB-CE1 3.46Å; W397-Y415 HydrophobicContact CB-CE2 3.66Å; W397-Y415 HydrophobicContact CB-CG 4.26Å; W397-Y415 HydrophobicContact CG-CE2 4.17Å; W397-Y415 PolarHBondContact N-O 2.84Å; W397-Y415 VanDerWaalsContact O-CD1 3.29Å; W397-Y415 WeakPolarHBondContact O-CD1 3.46Å; W397-Y415 PolarHBondContact O-N 3.1Å; L398-Y415 WeakPolarHBondContact O-CE1 3.21Å; V399-Y415 HydrophobicContact CB-CD1 4.1Å; V399-Y415 HydrophobicContact CB-CE1 4.16Å; V399-Y415 HydrophobicContact CG1-CD1 4.22Å; Y415-V417 HydrophobicContact CD2-CG2 4.18Å; Y415-V417 HydrophobicContact CE2-CG2 4.02Å
416	K	94.9	Very high	82.8	Confident	65 Å²	65	58.8 Å²	58.8	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	110.2	-165.2	-162.6	168.6	-165.4	153.7	0	112.1	E335 L336 M338 G395	E335-K416 IonicContact OE1-NZ 3.99Å; E335-K416 PolarHBondContact OE1-NZ 3.35Å; L336-K416 PolarHBondContact O-N 3.12Å; M338-K416 PolarHBondContact N-O 2.9Å; G395-K416 WeakPolarHBondContact O-CA 3.26Å
417	V	94.4	Very high	80.8	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.3	179.3	-178.9	0	0	0	0	108.9	M338 A340 P391 P394 G395 Y415	M338-V417 HydrophobicContact CG-CG2 3.98Å; M338-V417 HydrophobicContact SD-CG2 4.05Å; A340-V417 HydrophobicContact CB-CG1 3.85Å; P391-V417 HydrophobicContact CB-CG1 4.01Å; P391-V417 HydrophobicContact CB-CG2 3.75Å; P391-V417 HydrophobicContact CG-CG1 4.36Å; P391-V417 HydrophobicContact CG-CG2 4.45Å; P394-V417 WeakPolarHBondContact CA-O 3.37Å; G395-V417 PolarHBondContact N-O 3.16Å; G395-V417 PolarHBondContact O-N 3.19Å; Y415-V417 HydrophobicContact CD2-CG2 4.18Å; Y415-V417 HydrophobicContact CE2-CG2 4.02Å
418	K	92.4	Very high	79.4	Confident	96 Å²	96	69.9 Å²	69.9	42%	0.417	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.1	-179.6	-67.8	173.3	-179.2	164.8	0	111.5	N337 M338 C339 A340 C420	N337-K418 WeakPolarHBondContact OD1-CE 3.3Å; N337-K418 PolarHBondContact OD1-NZ 2.93Å; M338-K418 PolarHBondContact O-N 2.67Å; C339-K418 WeakPolarHBondContact CA-O 3.11Å; A340-K418 PolarHBondContact N-O 2.81Å; K418-C420 PolarHBondContact O-N 3.32Å; K418-C420 PolarHBondContact O-SG 3.15Å
419	S	89	Confident	78.6	Confident	93 Å²	93	67.3 Å²	67.3	65%	0.65	38%	0.382	S	S	*	.			trans	-73.3	111.7	165.7	-173.5	0	0	0	0	109.6
420	C	82.9	Confident	77.8	Confident	68 Å²	68	73.6 Å²	73.6	46%	0.459	42%	0.42	S	S	.	.			trans	-116.9	0.5	-175.2	-58.6	0	0	0	0	113.9	C339 K418	C339-C420 VanDerWaalsContact CA-SG 3.54Å; C339-C420 HydrophobicContact CB-CB 3.57Å; C339-C420 WeakPolarHBondContact CB-SG 3.12Å; C339-C420 WeakPolarHBondContact SG-CB 3.12Å; C339-C420 CovalentContact SG-SG 2.03Å; C339-C420 PolarHBondContact SG-SG 3.05Å; K418-C420 PolarHBondContact O-N 3.32Å; K418-C420 PolarHBondContact O-SG 3.15Å
421	S	72.7	Confident	77.3	Confident	46 Å²	46	75.4 Å²	75.4	32%	0.322	44%	0.439	S	S	.	.	S	Bend	trans	-134.6	146.9	-172.7	41.3	0	0	0	0	110.1	A423	S421-A423 PolarHBondContact O-N 3.32Å
422	M	56.9	Low	77	Confident	185 Å²	185	81.8 Å²	81.8	91%	0.911	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-71.5	129.6	168.5	-69.4	-169.9	-179	0	0	108.7	H424	M422-H424 PolarHBondContact O-N 3Å; M422-H424 VanDerWaalsContact O-N 3.15Å
423	A	47.6	Very low	76.9	Confident	98 Å²	98	85.6 Å²	85.6	81%	0.81	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.2	117.2	-168.2	0	0	0	0	0	113.3	S421	S421-A423 PolarHBondContact O-N 3.32Å
424	H	46.5	Very low	76.8	Confident	148 Å²	148	87.5 Å²	87.5	69%	0.685	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-69.7	161.6	150.9	-86.5	-62.9	0	0	0	109.7	M422 V426	M422-H424 PolarHBondContact O-N 3Å; M422-H424 VanDerWaalsContact O-N 3.15Å; H424-V426 PolarHBondContact O-N 3.27Å
425	P	49.7	Very low	76.8	Confident	110 Å²	110	91.8 Å²	91.8	71%	0.714	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-57.1	134.1	-176.3	-23.4	34	0	0	0	111.6	D427	P425-D427 PolarHBondContact O-N 3.14Å
426	V	54.9	Low	76.8	Confident	136 Å²	136	94.1 Å²	94.1	82%	0.824	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-59.6	124.5	159.5	179.4	0	0	0	0	106.6	H424 L428	H424-V426 PolarHBondContact O-N 3.27Å; V426-L428 PolarHBondContact O-N 3.09Å
427	D	55.9	Low	76.9	Confident	109 Å²	109	92.7 Å²	92.7	58%	0.583	52%	0.52	S	S	*	.			trans	-58.8	113.5	175.8	-89.1	-37.2	0	0	0	108.7	P425 L429	P425-D427 PolarHBondContact O-N 3.14Å; D427-L429 PolarHBondContact O-N 2.91Å
428	L	63.6	Low	77.1	Confident	155 Å²	155	92.5 Å²	92.5	81%	0.812	52%	0.519	S	S	*	.			trans	-68.3	104.7	-174.1	-163	89.8	0	0	0	108.6	V426 T430	V426-L428 PolarHBondContact O-N 3.09Å; L428-T430 VanDerWaalsContact O-CG2 3.23Å; L428-T430 WeakPolarHBondContact O-CG2 3.4Å; L428-T430 PolarHBondContact O-N 3.06Å
429	L	77.5	Confident	77.3	Confident	56 Å²	56	88 Å²	88	29%	0.293	50%	0.5	S	S	.	.			trans	-50.5	110.4	-178.3	-66.5	177.1	0	0	0	110.7	D427 G519 T574 P576	D427-L429 PolarHBondContact O-N 2.91Å; L429-G519 WeakPolarHBondContact CB-O 3.49Å; L429-T574 HydrophobicContact CD1-CG2 3.66Å; L429-P576 HydrophobicContact CD2-CB 4.43Å
430	T	78.3	Confident	77.7	Confident	136 Å²	136	83.6 Å²	83.6	83%	0.834	47%	0.469	S	S	*	.			trans	-92.1	-2.4	-172.5	53.6	0	0	0	0	113.9	L428	L428-T430 VanDerWaalsContact O-CG2 3.23Å; L428-T430 WeakPolarHBondContact O-CG2 3.4Å; L428-T430 PolarHBondContact O-N 3.06Å
431	G	84.5	Confident	78.3	Confident	38 Å²	38	81.8 Å²	81.8	39%	0.392	45%	0.453	S	S	.	.	S	Bend	trans	-80.8	-158.3	178	0	0	0	0	0	113.4	G519 D520	G431-G519 WeakPolarHBondContact CA-O 3.37Å; G431-G519 PolarHBondContact N-O 3.05Å; G431-D520 WeakPolarHBondContact CA-OD1 3.05Å
432	K	91.6	Very high	79.5	Confident	135 Å²	135	83.1 Å²	83.1	59%	0.587	45%	0.454	S	S	*	.			trans	-99.8	150.1	-176.2	-58.9	167.6	-169.4	160.2	0	110.2	D520 T521	K432-D520 PolarHBondContact N-OD1 3.3Å; K432-D520 WeakPolarHBondContact O-CA 3.44Å; K432-D520 WeakPolarHBondContact O-CB 3.48Å; K432-T521 PolarHBondContact O-N 2.98Å
433	V	94.3	Very high	81.3	Confident	91 Å²	91	75.9 Å²	75.9	55%	0.552	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.5	159	-174.3	0	0	0	0	107.7	Q435 T521 Q523	V433-Q435 HydrophobicContact CG1-CG 4.27Å; V433-T521 CarbonylContact C-O 3.53Å; V433-T521 WeakPolarHBondContact CA-O 3.42Å; V433-Q523 HydrophobicContact CG1-CB 4.23Å
434	R	94.1	Very high	83.7	Confident	40 Å²	40	77.2 Å²	77.2	15%	0.151	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.3	176.1	-61.4	-171.7	-175.5	-136.2	0.5	109.1	Y436 R515 D520 T521 Q523	R434-Y436 HydrophobicContact CB-CD2 4.49Å; R434-Y436 HydrophobicContact CB-CE2 3.85Å; R434-R515 WeakPolarHBondContact CD-O 3.44Å; R434-R515 PolarHBondContact NE-O 3.29Å; R434-R515 PolarHBondContact NH1-O 2.89Å; R434-D520 IonicContact CZ-OD2 3.45Å; R434-D520 IonicContact NE-OD2 2.75Å; R434-D520 PolarHBondContact NE-OD2 3.14Å; R434-D520 IonicContact NH2-OD2 2.74Å; R434-D520 PolarHBondContact NH2-OD2 3.21Å; R434-T521 PolarHBondContact N-O 2.84Å; R434-Q523 PolarHBondContact O-N 3.48Å
435	Q	95.4	Very high	86.1	Confident	116 Å²	116	71.5 Å²	71.5	54%	0.542	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.2	179.6	-72.3	179.1	-23.4	0	0	110.6	V433 F437 Q523	V433-Q435 HydrophobicContact CG1-CG 4.27Å; Q435-F437 HydrophobicContact CB-CE2 4.48Å; Q435-F437 HydrophobicContact CB-CZ 4.41Å; Q435-Q523 CarbonylContact C-O 3.53Å; Q435-Q523 WeakPolarHBondContact CA-O 3.15Å; Q435-Q523 HydrophobicContact CG-CB 4.17Å; Q435-Q523 HydrophobicContact CG-CG 4.47Å
436	Y	96.4	Very high	88.4	Confident	51 Å²	51	69.1 Å²	69.1	20%	0.2	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.4	176.2	-69.6	-89.1	0	0	0	109.3	R434 I514 R515 I522 Q523 V524 V525	R434-Y436 HydrophobicContact CB-CD2 4.49Å; R434-Y436 HydrophobicContact CB-CE2 3.85Å; Y436-I514 HydrophobicContact CD1-CG1 4.44Å; Y436-I514 HydrophobicContact CD2-CG2 4.39Å; Y436-I514 HydrophobicContact CE2-CG2 3.97Å; Y436-R515 PolarHBondContact OH-N 2.7Å; Y436-R515 PolarHBondContact OH-O 2.74Å; Y436-I522 HydrophobicContact CD2-CG2 4.09Å; Y436-I522 HydrophobicContact CE2-CG2 4.25Å; Y436-Q523 PolarHBondContact N-O 2.87Å; Y436-V524 WeakPolarHBondContact O-CA 3.38Å; Y436-V525 PolarHBondContact O-N 3.29Å
437	F	97.4	Very high	90.4	Very high	35 Å²	35	62.6 Å²	62.6	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.2	175.5	-52.6	-84.7	0	0	0	107.9	Q435 A489 F490 D492 E493 F495 V525	Q435-F437 HydrophobicContact CB-CE2 4.48Å; Q435-F437 HydrophobicContact CB-CZ 4.41Å; F437-A489 WeakPolarHBondContact O-CA 3.26Å; F437-F490 HydrophobicContact CB-CB 4.34Å; F437-F490 PolarHBondContact O-N 2.73Å; F437-D492 VanDerWaalsContact CG-C 3.47Å; F437-E493 HydrophobicContact CD1-CB 3.92Å; F437-E493 HydrophobicContact CD1-CG 4.06Å; F437-E493 HydrophobicContact CE1-CB 3.7Å; F437-E493 HydrophobicContact CE1-CG 3.96Å; F437-F495 HydrophobicContact CB-CE1 4.08Å; F437-F495 HydrophobicContact CB-CZ 4.1Å; F437-V525 HydrophobicContact CD1-CB 3.83Å; F437-V525 HydrophobicContact CD1-CG1 4.42Å; F437-V525 HydrophobicContact CD1-CG2 4.09Å; F437-V525 HydrophobicContact CE1-CB 4.23Å; F437-V525 HydrophobicContact CE1-CG2 3.96Å
438	I	97.4	Very high	92.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.7	-171.5	-61.6	178.9	0	0	0	110	Y487 E488 P512 I514 V524 V525 F526 Y527 M536	I438-Y487 HydrophobicContact CG2-CD1 3.77Å; I438-Y487 HydrophobicContact CG2-CG 4.19Å; I438-E488 WeakPolarHBondContact CA-O 3.31Å; I438-P512 HydrophobicContact CD1-CG 3.81Å; I438-P512 HydrophobicContact CG1-CG 4.06Å; I438-I514 HydrophobicContact CD1-CD1 4.06Å; I438-I514 HydrophobicContact CD1-CG1 4.38Å; I438-V524 HydrophobicContact CB-CG1 4.34Å; I438-V524 HydrophobicContact CD1-CG1 3.93Å; I438-V524 HydrophobicContact CG1-CG1 4.22Å; I438-V525 PolarHBondContact N-O 2.82Å; I438-F526 HydrophobicContact CG2-CD2 4.43Å; I438-F526 WeakPolarHBondContact O-CA 2.92Å; I438-F526 WeakPolarHBondContact O-CD2 3.24Å; I438-Y527 PolarHBondContact O-N 2.82Å; I438-M536 HydrophobicContact CD1-CE 3.98Å; I438-M536 HydrophobicContact CG2-CE 4.34Å
439	E	96.9	Very high	93.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.5	174.4	-170.6	174.5	105.6	0	0	110	H441 Y487 E488 F490 F495 Y527 R529	E439-H441 HydrophobicContact CG-CB 4.34Å; E439-Y487 CarbonylContact O-C 3.58Å; E439-Y487 WeakPolarHBondContact O-CA 3.49Å; E439-E488 PolarHBondContact N-O 2.7Å; E439-E488 PolarHBondContact O-N 3.36Å; E439-F490 HydrophobicContact CB-CD2 4.15Å; E439-F490 HydrophobicContact CB-CE2 3.61Å; E439-F490 HydrophobicContact CB-CZ 4.5Å; E439-F495 HydrophobicContact CB-CD1 3.99Å; E439-F495 HydrophobicContact CB-CE1 4.33Å; E439-Y527 CarbonylContact C-O 3.55Å; E439-Y527 VanDerWaalsContact CA-O 3.29Å; E439-Y527 WeakPolarHBondContact CA-O 3.27Å; E439-Y527 HydrophobicContact CG-CD1 3.92Å; E439-Y527 WeakPolarHBondContact OE2-CD1 3.33Å; E439-Y527 WeakPolarHBondContact OE2-CE1 3.42Å; E439-R529 HydrophobicContact CG-CB 3.95Å; E439-R529 WeakPolarHBondContact OE1-CD 3.26Å; E439-R529 IonicContact OE1-CZ 2.66Å; E439-R529 IonicContact OE1-NE 3.83Å; E439-R529 IonicContact OE1-NH1 3.14Å; E439-R529 PolarHBondContact OE1-NH1 3.1Å; E439-R529 WeakPolarHBondContact OE2-CD 3.25Å; E439-R529 IonicContact OE2-NH1 3.4Å; E439-R529 PolarHBondContact OE2-NH1 2.87Å
440	A	97.4	Very high	94.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.1	160.9	0	0	0	0	0	109.1	V485 Y487 F526 Y527 R529 A530 F534 L607	A440-V485 HydrophobicContact CB-CG2 4.23Å; A440-Y487 HydrophobicContact CB-CD1 4.44Å; A440-F526 HydrophobicContact CB-CE2 3.57Å; A440-F526 HydrophobicContact CB-CZ 3.55Å; A440-Y527 PolarHBondContact N-O 2.82Å; A440-R529 WeakPolarHBondContact O-CA 3.47Å; A440-R529 WeakPolarHBondContact O-CB 3.45Å; A440-R529 PolarHBondContact O-N 3.5Å; A440-A530 PolarHBondContact O-N 2.97Å; A440-F534 HydrophobicContact CB-CD2 4.45Å; A440-L607 HydrophobicContact CB-CD2 4.26Å
441	H	95.8	Very high	95.3	Very high	30 Å²	30	50.6 Å²	50.6	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.7	-178	74.5	-50.8	0	0	0	112.8	E439 V485 R486 K498	E439-H441 HydrophobicContact CG-CB 4.34Å; H441-V485 WeakPolarHBondContact O-CA 3.5Å; H441-V485 WeakPolarHBondContact O-CG2 3.45Å; H441-R486 PolarHBondContact N-O 2.97Å; H441-R486 VanDerWaalsContact N-O 3.12Å; H441-R486 PolarHBondContact ND1-O 3.25Å; H441-R486 PolarHBondContact O-N 3.15Å; H441-K498 PolarHBondContact NE2-NZ 2.96Å
442	E	96.7	Very high	95.8	Very high	74 Å²	74	52.5 Å²	52.5	35%	0.346	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.5	-177.8	-72	169.6	-178.6	0	0	111.6	K484 A530 S531 Y646	E442-K484 WeakPolarHBondContact CA-O 3.2Å; E442-A530 HydrophobicContact CG-CB 3.93Å; E442-S531 VanDerWaalsContact OE1-CB 3.25Å; E442-S531 WeakPolarHBondContact OE1-CB 3.39Å; E442-S531 PolarHBondContact OE1-N 3.3Å; E442-S531 PolarHBondContact OE1-OG 3.38Å; E442-Y646 HydrophobicContact CG-CE1 3.91Å; E442-Y646 VanDerWaalsContact CG-OH 3.27Å; E442-Y646 WeakPolarHBondContact CG-OH 3.29Å; E442-Y646 VanDerWaalsContact OE1-CE1 3.25Å; E442-Y646 WeakPolarHBondContact OE1-CE1 3.27Å; E442-Y646 PolarHBondContact OE1-OH 2.91Å
443	I	96.3	Very high	95.9	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152	-177.2	63.1	170.7	0	0	0	110.8	W445 W483 K484 R486 I509	I443-W445 HydrophobicContact CD1-CE3 3.87Å; I443-W483 WeakPolarHBondContact O-CA 3.36Å; I443-K484 HydrophobicContact CG1-CB 4.42Å; I443-K484 PolarHBondContact N-O 3.22Å; I443-K484 PolarHBondContact O-N 2.86Å; I443-K484 VanDerWaalsContact O-O 3.1Å; I443-R486 HydrophobicContact CD1-CB 3.66Å; I443-R486 HydrophobicContact CD1-CG 4.42Å; I443-R486 HydrophobicContact CG1-CB 4.29Å; I443-I509 HydrophobicContact CD1-CD1 4.09Å
444	Q	96.6	Very high	95.6	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	109.5	165.1	-171.4	173.5	34	0	0	108.6	T481 W483	Q444-T481 HydrophobicContact CG-CG2 3.71Å; Q444-W483 HydrophobicContact CB-CD2 4.48Å; Q444-W483 HydrophobicContact CB-CE3 4.32Å; Q444-W483 HydrophobicContact CB-CH2 4.4Å; Q444-W483 HydrophobicContact CB-CZ3 4.29Å
445	W	97.5	Very high	95.2	Very high	29 Å²	29	43.4 Å²	43.4	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.4	-179.7	-170.7	-105.9	0	0	0	111.3	I443 Y447 T481 Y482 K484 I509 G679 F680	I443-W445 HydrophobicContact CD1-CE3 3.87Å; W445-Y447 AromaticContact CD1-CD2 3.87Å; W445-Y447 AromaticContact CD1-CE2 3.76Å; W445-Y447 AromaticContact CD1-CZ 3.88Å; W445-Y447 AromaticContact NE1-CD1 3.98Å; W445-T481 CarbonylContact O-C 3.57Å; W445-T481 VanDerWaalsContact O-CA 3.23Å; W445-T481 WeakPolarHBondContact O-CA 3.47Å; W445-T481 WeakPolarHBondContact O-CG2 3.44Å; W445-Y482 PolarHBondContact N-O 2.96Å; W445-Y482 PolarHBondContact O-N 2.94Å; W445-K484 HydrophobicContact CB-CB 4.2Å; W445-K484 HydrophobicContact CB-CD 3.7Å; W445-K484 HydrophobicContact CB-CG 3.86Å; W445-K484 HydrophobicContact CG-CD 3.9Å; W445-I509 HydrophobicContact CD2-CD1 3.89Å; W445-I509 HydrophobicContact CE3-CD1 3.91Å; W445-I509 HydrophobicContact CG-CD1 4.24Å; W445-I509 HydrophobicContact CH2-CB 4.31Å; W445-I509 VanDerWaalsContact CH2-N 3.32Å; W445-I509 HydrophobicContact CZ2-CB 4.09Å; W445-I509 HydrophobicContact CZ3-CD1 4.41Å; W445-G679 PolarHBondContact NE1-O 3.3Å; W445-F680 HydrophobicContact CH2-CE1 4.03Å; W445-F680 AromaticContact CH2-CE2 3.93Å; W445-F680 HydrophobicContact CH2-CE2 3.93Å; W445-F680 AromaticContact CH2-CZ 3.46Å; W445-F680 HydrophobicContact CH2-CZ 3.46Å; W445-F680 VanDerWaalsContact CH2-CZ 3.46Å; W445-F680 HydrophobicContact CZ2-CD1 4.22Å; W445-F680 HydrophobicContact CZ2-CD2 4.32Å; W445-F680 AromaticContact CZ2-CE1 3.66Å; W445-F680 HydrophobicContact CZ2-CE1 3.66Å; W445-F680 AromaticContact CZ2-CE2 3.82Å; W445-F680 HydrophobicContact CZ2-CE2 3.82Å; W445-F680 AromaticContact CZ2-CZ 3.46Å; W445-F680 HydrophobicContact CZ2-CZ 3.46Å; W445-F680 VanDerWaalsContact CZ2-CZ 3.46Å
446	N	97	Very high	94.8	Very high	59 Å²	59	41.6 Å²	41.6	32%	0.316	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.9	174.9	177.8	-2.1	0	0	0	108.8	G448 G480 T481	N446-G448 VanDerWaalsContact C-N 3.32Å; N446-G448 PolarHBondContact O-N 2.97Å; N446-G448 PolarHBondContact OD1-N 2.92Å; N446-G480 PolarHBondContact OD1-O 3.49Å; N446-G480 VanDerWaalsContact OD1-O 3.13Å; N446-T481 HydrophobicContact CB-CG2 4.38Å
447	Y	97.4	Very high	94.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-76.2	-17.7	-176.6	-72.7	-90	0	0	0	113.7	W445 G480 Y482 K484 L639 E641 M674 A676 G679 F680 L681	W445-Y447 AromaticContact CD1-CD2 3.87Å; W445-Y447 AromaticContact CD1-CE2 3.76Å; W445-Y447 AromaticContact CD1-CZ 3.88Å; W445-Y447 AromaticContact NE1-CD1 3.98Å; Y447-G480 PolarHBondContact N-O 2.94Å; Y447-G480 VanDerWaalsContact N-O 3.08Å; Y447-Y482 AromaticContact CD2-CD2 3.85Å; Y447-Y482 HydrophobicContact CD2-CD2 3.85Å; Y447-Y482 HydrophobicContact CD2-CE2 4.2Å; Y447-Y482 AromaticContact CE2-CD2 3.54Å; Y447-Y482 HydrophobicContact CE2-CD2 3.54Å; Y447-Y482 HydrophobicContact CE2-CE2 4.07Å; Y447-Y482 HydrophobicContact CE2-CG 4.36Å; Y447-K484 PolarHBondContact OH-NZ 2.93Å; Y447-K484 VanDerWaalsContact OH-NZ 3.09Å; Y447-L639 HydrophobicContact CE1-CD1 3.92Å; Y447-E641 WeakPolarHBondContact CE2-OE1 3.3Å; Y447-E641 PolarHBondContact OH-OE1 2.98Å; Y447-M674 HydrophobicContact CD1-CB 3.93Å; Y447-M674 HydrophobicContact CD1-CE 4.08Å; Y447-M674 HydrophobicContact CD1-CG 4.36Å; Y447-M674 HydrophobicContact CD2-CE 3.64Å; Y447-M674 HydrophobicContact CD2-CG 4.22Å; Y447-M674 HydrophobicContact CE1-CB 3.55Å; Y447-M674 HydrophobicContact CE1-CG 4.05Å; Y447-M674 HydrophobicContact CE2-CB 4.33Å; Y447-M674 HydrophobicContact CE2-CE 4.27Å; Y447-M674 HydrophobicContact CE2-CG 3.88Å; Y447-M674 HydrophobicContact CG-CB 4.47Å; Y447-M674 HydrophobicContact CG-CE 3.53Å; Y447-M674 HydrophobicContact CG-CG 4.45Å; Y447-A676 HydrophobicContact CD1-CB 4.39Å; Y447-A676 HydrophobicContact CE1-CB 4.3Å; Y447-G679 WeakPolarHBondContact CD1-O 3.39Å; Y447-F680 WeakPolarHBondContact O-CA 3.3Å; Y447-L681 HydrophobicContact CD1-CD1 3.67Å; Y447-L681 HydrophobicContact CE1-CD1 4.47Å; Y447-L681 HydrophobicContact CG-CD1 4.3Å; Y447-L681 PolarHBondContact O-N 2.85Å
448	G	96.2	Very high	94.2	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	26%	0.264	C	S	.	.			trans	-135.9	61.5	-177.4	0	0	0	0	0	112.5	N446 M450 G451 N684	N446-G448 VanDerWaalsContact C-N 3.32Å; N446-G448 PolarHBondContact O-N 2.97Å; N446-G448 PolarHBondContact OD1-N 2.92Å; G448-M450 PolarHBondContact O-N 3.19Å; G448-M450 VanDerWaalsContact O-N 3.12Å; G448-G451 PolarHBondContact O-N 3.02Å; G448-N684 VanDerWaalsContact CA-OD1 3.31Å; G448-N684 WeakPolarHBondContact CA-OD1 3.42Å
449	P	95.8	Very high	94.1	Very high	71 Å²	71	50 Å²	50	46%	0.461	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.1	-175.4	25.6	-38	0	0	0	115.3	F680 N684	P449-F680 HydrophobicContact CG-CD1 4.04Å; P449-F680 HydrophobicContact CG-CE1 3.82Å; P449-N684 WeakPolarHBondContact CD-OD1 3.29Å; P449-N684 HydrophobicContact CG-CB 4.29Å
450	M	93.9	Very high	94	Very high	89 Å²	89	50 Å²	50	44%	0.438	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.4	177.2	-62.6	170.3	47.7	0	0	112.7	G448 H452 N684	G448-M450 PolarHBondContact O-N 3.19Å; G448-M450 VanDerWaalsContact O-N 3.12Å; M450-H452 VanDerWaalsContact CE-NE2 3.33Å; M450-H452 WeakPolarHBondContact CE-NE2 3.04Å; M450-H452 PolarHBondContact O-N 2.91Å; M450-H452 VanDerWaalsContact O-N 3.15Å; M450-H452 PolarHBondContact O-ND1 2.62Å; M450-N684 VanDerWaalsContact CB-OD1 3.23Å; M450-N684 WeakPolarHBondContact CB-OD1 3.43Å; M450-N684 PolarHBondContact N-OD1 3.43Å
451	G	93.7	Very high	93.8	Very high	38 Å²	38	56.2 Å²	56.2	39%	0.392	31%	0.309	S	S	.	.	S	Bend	trans	69.7	-1.6	-175.2	0	0	0	0	0	115.1	G448 N459 L460	G448-G451 PolarHBondContact O-N 3.02Å; G451-N459 PolarHBondContact O-OD1 3.36Å; G451-L460 PolarHBondContact O-N 2.8Å; G451-L460 VanDerWaalsContact O-N 3.17Å
452	H	94.2	Very high	93.6	Very high	78 Å²	78	59 Å²	59	36%	0.361	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-134.3	158.5	173.8	57.7	-78.9	0	0	0	109.6	M450 K458 N684	M450-H452 VanDerWaalsContact CE-NE2 3.33Å; M450-H452 WeakPolarHBondContact CE-NE2 3.04Å; M450-H452 PolarHBondContact O-N 2.91Å; M450-H452 VanDerWaalsContact O-N 3.15Å; M450-H452 PolarHBondContact O-ND1 2.62Å; H452-K458 CarbonylContact C-O 3.58Å; H452-K458 WeakPolarHBondContact CA-O 3.15Å; H452-K458 WeakPolarHBondContact CB-O 3.26Å; H452-N684 PolarHBondContact O-ND2 2.95Å
453	D	92.6	Very high	93.2	Very high	5 Å²	5	61 Å²	61	3%	0.027	34%	0.342	C	S	.	.			trans	-67.3	127.3	170.3	170.9	22.8	0	0	0	109.7	S455 T456 G457 K458 L460 F682 R764	D453-S455 VanDerWaalsContact C-N 3.27Å; D453-S455 PolarHBondContact O-N 3.12Å; D453-S455 PolarHBondContact OD1-N 2.82Å; D453-S455 VanDerWaalsContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 2.95Å; D453-T456 VanDerWaalsContact OD2-CB 3.27Å; D453-T456 WeakPolarHBondContact OD2-CB 3.36Å; D453-T456 VanDerWaalsContact OD2-CG2 3.23Å; D453-T456 WeakPolarHBondContact OD2-CG2 3.44Å; D453-T456 PolarHBondContact OD2-N 2.83Å; D453-T456 VanDerWaalsContact OD2-N 3.13Å; D453-T456 PolarHBondContact OD2-OG1 2.96Å; D453-G457 VanDerWaalsContact O-CA 3.28Å; D453-G457 WeakPolarHBondContact O-CA 3.46Å; D453-G457 PolarHBondContact O-N 2.87Å; D453-K458 PolarHBondContact N-O 3.02Å; D453-L460 HydrophobicContact CB-CD2 4.15Å; D453-F682 WeakPolarHBondContact CA-O 3.34Å; D453-F682 HydrophobicContact CB-CB 4Å; D453-F682 VanDerWaalsContact OD1-O 3.12Å; D453-R764 IonicContact OD1-CZ 2.75Å; D453-R764 IonicContact OD1-NE 3.81Å; D453-R764 PolarHBondContact OD1-NE 3.5Å; D453-R764 IonicContact OD1-NH2 3.66Å; D453-R764 IonicContact OD2-CZ 3.2Å; D453-R764 IonicContact OD2-NE 2.69Å; D453-R764 IonicContact OD2-NH2 3.78Å; D453-R764 PolarHBondContact OD2-NH2 3.39Å
454	G	88.7	Confident	92.6	Very high	26 Å²	26	63.4 Å²	63.4	27%	0.268	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.2	-177	0	0	0	0	0	114.4	F682 I766	G454-F682 PolarHBondContact N-O 3.34Å; G454-I766 VanDerWaalsContact O-CD1 3.26Å; G454-I766 WeakPolarHBondContact O-CD1 3.34Å
455	S	85.8	Confident	92.3	Very high	44 Å²	44	58.8 Å²	58.8	31%	0.308	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-45.4	177.7	58	0	0	0	0	114.3	D453 E750 R764	D453-S455 VanDerWaalsContact C-N 3.27Å; D453-S455 PolarHBondContact O-N 3.12Å; D453-S455 PolarHBondContact OD1-N 2.82Å; D453-S455 VanDerWaalsContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 2.95Å; S455-E750 WeakPolarHBondContact CB-OE1 3.48Å; S455-E750 PolarHBondContact OG-OE1 2.81Å; S455-R764 WeakPolarHBondContact OG-CD 3.49Å; S455-R764 PolarHBondContact OG-NE 2.68Å
456	T	87.1	Confident	91.8	Very high	79 Å²	79	61.5 Å²	61.5	49%	0.485	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.8	179.5	68.3	0	0	0	0	114.7	D453 K458	D453-T456 VanDerWaalsContact OD2-CB 3.27Å; D453-T456 WeakPolarHBondContact OD2-CB 3.36Å; D453-T456 VanDerWaalsContact OD2-CG2 3.23Å; D453-T456 WeakPolarHBondContact OD2-CG2 3.44Å; D453-T456 PolarHBondContact OD2-N 2.83Å; D453-T456 VanDerWaalsContact OD2-N 3.13Å; D453-T456 PolarHBondContact OD2-OG1 2.96Å; T456-K458 PolarHBondContact O-N 3.18Å; T456-K458 PolarHBondContact OG1-N 2.68Å
457	G	89.2	Confident	91.6	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	36%	0.361	S	S	.	.			trans	72.3	1.6	-174.5	0	0	0	0	0	115	D453	D453-G457 VanDerWaalsContact O-CA 3.28Å; D453-G457 WeakPolarHBondContact O-CA 3.46Å; D453-G457 PolarHBondContact O-N 2.87Å
458	K	92.6	Very high	91.4	Very high	122 Å²	122	60 Å²	60	53%	0.53	37%	0.365	S	S	.	.			trans	-70	151.1	177.7	-67.9	-174.9	178.3	-174.1	0	111.8	H452 D453 T456	H452-K458 CarbonylContact C-O 3.58Å; H452-K458 WeakPolarHBondContact CA-O 3.15Å; H452-K458 WeakPolarHBondContact CB-O 3.26Å; D453-K458 PolarHBondContact N-O 3.02Å; T456-K458 PolarHBondContact O-N 3.18Å; T456-K458 PolarHBondContact OG1-N 2.68Å
459	N	94.5	Very high	91.2	Very high	89 Å²	89	64.2 Å²	64.2	48%	0.476	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-71.8	131.8	177.7	-176.1	-17.5	0	0	0	109.9	G451 R461 E462	G451-N459 PolarHBondContact O-OD1 3.36Å; N459-R461 PolarHBondContact O-N 2.89Å; N459-R461 VanDerWaalsContact O-N 3.08Å; N459-R461 PolarHBondContact OD1-N 3.03Å; N459-E462 WeakPolarHBondContact O-CB 3.4Å; N459-E462 PolarHBondContact O-N 2.97Å; N459-E462 VanDerWaalsContact O-N 3.12Å
460	L	94.4	Very high	91.2	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.8	179.9	-60.9	176.2	0	0	0	113.1	G451 D453 S467 D468 F471 F682	G451-L460 PolarHBondContact O-N 2.8Å; G451-L460 VanDerWaalsContact O-N 3.17Å; D453-L460 HydrophobicContact CB-CD2 4.15Å; L460-S467 CarbonylContact O-C 3.42Å; L460-D468 WeakPolarHBondContact O-CA 3.43Å; L460-D468 PolarHBondContact O-N 3.12Å; L460-F471 HydrophobicContact CB-CB 3.95Å; L460-F471 HydrophobicContact CB-CD1 4.29Å; L460-F471 HydrophobicContact CB-CD2 4.04Å; L460-F471 HydrophobicContact CB-CG 3.8Å; L460-F471 HydrophobicContact CD1-CD1 4.02Å; L460-F471 HydrophobicContact CD1-CD2 4.23Å; L460-F471 HydrophobicContact CD1-CE1 3.9Å; L460-F471 HydrophobicContact CD1-CE2 4.12Å; L460-F471 HydrophobicContact CD1-CG 4.19Å; L460-F471 HydrophobicContact CD1-CZ 3.95Å; L460-F471 WeakPolarHBondContact O-CB 3.38Å; L460-F682 HydrophobicContact CD2-CB 3.63Å; L460-F682 HydrophobicContact CD2-CD2 3.74Å; L460-F682 HydrophobicContact CD2-CG 3.8Å
461	R	93.3	Very high	91.2	Very high	129 Å²	129	57.1 Å²	57.1	49%	0.487	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	36	175.9	-62.1	179.8	176.8	140.7	5.6	112.8	N459 P463 D468 F471	N459-R461 PolarHBondContact O-N 2.89Å; N459-R461 VanDerWaalsContact O-N 3.08Å; N459-R461 PolarHBondContact OD1-N 3.03Å; R461-P463 WeakPolarHBondContact O-CD 3.27Å; R461-D468 WeakPolarHBondContact CA-OD1 3.43Å; R461-F471 HydrophobicContact CG-CB 4.08Å; R461-F471 PolarHBondContact NE-O 2.79Å
462	E	92.3	Very high	91.1	Very high	89 Å²	89	59 Å²	59	42%	0.416	34%	0.34	S	S	.	.			trans	-76.8	114.5	170.6	-176.1	165.4	-157.5	0	0	108.7	N459 G464 S465	N459-E462 WeakPolarHBondContact O-CB 3.4Å; N459-E462 PolarHBondContact O-N 2.97Å; N459-E462 VanDerWaalsContact O-N 3.12Å; E462-G464 PolarHBondContact O-N 2.98Å; E462-S465 WeakPolarHBondContact O-CB 3.49Å; E462-S465 PolarHBondContact O-N 2.86Å; E462-S465 PolarHBondContact O-OG 2.92Å
463	P	89.1	Confident	90.9	Very high	117 Å²	117	61.1 Å²	61.1	76%	0.76	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	128.9	-170.9	-25.6	35.6	0	0	0	112.5	R461 S465	R461-P463 WeakPolarHBondContact O-CD 3.27Å; P463-S465 VanDerWaalsContact C-N 3.32Å
464	G	83.1	Confident	90.7	Very high	83 Å²	83	62.7 Å²	62.7	86%	0.856	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	4	-174.4	0	0	0	0	0	114.9	E462	E462-G464 PolarHBondContact O-N 2.98Å
465	S	89	Confident	90.5	Very high	27 Å²	27	64.3 Å²	64.3	19%	0.189	37%	0.367	C	S	.	.	S	Bend	trans	-78.6	151.4	164.6	70	0	0	0	0	111.4	E462 P463 S467 D468	E462-S465 WeakPolarHBondContact O-CB 3.49Å; E462-S465 PolarHBondContact O-N 2.86Å; E462-S465 PolarHBondContact O-OG 2.92Å; P463-S465 VanDerWaalsContact C-N 3.32Å; S465-S467 PolarHBondContact O-N 2.79Å; S465-S467 PolarHBondContact OG-OG 3.44Å; S465-D468 WeakPolarHBondContact O-CB 3.5Å; S465-D468 PolarHBondContact O-N 2.85Å; S465-D468 PolarHBondContact OG-N 2.93Å
466	I	87.9	Confident	90.6	Very high	86 Å²	86	63.4 Å²	63.4	44%	0.441	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.2	175.2	-55.9	172.4	0	0	0	111.1	D468 K469 F470 E760	I466-D468 VanDerWaalsContact C-N 3.32Å; I466-D468 PolarHBondContact O-N 3.26Å; I466-K469 VanDerWaalsContact O-CB 3.28Å; I466-K469 WeakPolarHBondContact O-CB 3.09Å; I466-K469 PolarHBondContact O-N 3.21Å; I466-F470 HydrophobicContact CG2-CE2 4.43Å; I466-E760 HydrophobicContact CD1-CB 4.07Å; I466-E760 HydrophobicContact CD1-CG 4.39Å; I466-E760 WeakPolarHBondContact CG2-O 3.19Å
467	S	92.8	Very high	90.7	Very high	12 Å²	12	61.1 Å²	61.1	8%	0.084	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.3	175.2	42.7	0	0	0	0	114.2	L460 S465 K469 F470 F471	L460-S467 CarbonylContact O-C 3.42Å; S465-S467 PolarHBondContact O-N 2.79Å; S465-S467 PolarHBondContact OG-OG 3.44Å; S467-K469 PolarHBondContact O-N 2.85Å; S467-F470 PolarHBondContact O-N 3.44Å; S467-F471 WeakPolarHBondContact O-CD2 3.48Å; S467-F471 PolarHBondContact O-N 2.9Å
468	D	92.8	Very high	90.9	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.08	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-30.2	179.8	-162.8	51.8	0	0	0	110.9	L460 R461 S465 I466 F470 F471 Q472	L460-D468 WeakPolarHBondContact O-CA 3.43Å; L460-D468 PolarHBondContact O-N 3.12Å; R461-D468 WeakPolarHBondContact CA-OD1 3.43Å; S465-D468 WeakPolarHBondContact O-CB 3.5Å; S465-D468 PolarHBondContact O-N 2.85Å; S465-D468 PolarHBondContact OG-N 2.93Å; I466-D468 VanDerWaalsContact C-N 3.32Å; I466-D468 PolarHBondContact O-N 3.26Å; D468-F470 PolarHBondContact O-N 2.92Å; D468-F470 VanDerWaalsContact O-N 3.07Å; D468-F471 PolarHBondContact O-N 2.95Å; D468-Q472 WeakPolarHBondContact O-CB 3.28Å; D468-Q472 PolarHBondContact O-N 3.1Å; D468-Q472 WeakPolarHBondContact OD1-CB 3.49Å; D468-Q472 PolarHBondContact OD2-NE2 2.78Å
469	K	92.2	Very high	91	Very high	95 Å²	95	53.5 Å²	53.5	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-49	-38.4	173.7	-174.5	177.5	176.7	178.5	0	112.9	I466 S467 D670 S671	I466-K469 VanDerWaalsContact O-CB 3.28Å; I466-K469 WeakPolarHBondContact O-CB 3.09Å; I466-K469 PolarHBondContact O-N 3.21Å; S467-K469 PolarHBondContact O-N 2.85Å; K469-D670 WeakPolarHBondContact CE-OD2 3.38Å; K469-D670 IonicContact NZ-OD2 2.87Å; K469-D670 PolarHBondContact NZ-OD2 2.76Å; K469-S671 WeakPolarHBondContact O-CA 3.29Å; K469-S671 WeakPolarHBondContact O-CB 3.45Å
470	F	95.1	Very high	91	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-102.6	-22.4	-176.2	-48.5	-80.9	0	0	0	113.5	I466 S467 D468 G479 G480 R673 M674 L681 F682 A761	I466-F470 HydrophobicContact CG2-CE2 4.43Å; S467-F470 PolarHBondContact O-N 3.44Å; D468-F470 PolarHBondContact O-N 2.92Å; D468-F470 VanDerWaalsContact O-N 3.07Å; F470-G479 CarbonylContact O-C 3.59Å; F470-G479 WeakPolarHBondContact O-CA 3.39Å; F470-G480 PolarHBondContact O-N 3.36Å; F470-R673 WeakPolarHBondContact CD1-O 3.48Å; F470-R673 VanDerWaalsContact CE1-O 3.26Å; F470-R673 WeakPolarHBondContact CE1-O 2.99Å; F470-M674 HydrophobicContact CB-CE 4.21Å; F470-M674 HydrophobicContact CB-SD 4.19Å; F470-M674 HydrophobicContact CD1-SD 4.31Å; F470-L681 HydrophobicContact CB-CD2 4.37Å; F470-L681 HydrophobicContact CG-CD2 4.37Å; F470-F682 HydrophobicContact CD2-CE2 4.2Å; F470-F682 HydrophobicContact CD2-CZ 4.28Å; F470-A761 HydrophobicContact CE2-CB 4.06Å; F470-A761 HydrophobicContact CZ-CB 3.74Å
471	F	95.4	Very high	91.1	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-110	-13.4	-173.1	-75.6	-84.8	0	0	0	115.1	L460 R461 S467 D468 M674 L681 F682	L460-F471 HydrophobicContact CB-CB 3.95Å; L460-F471 HydrophobicContact CB-CD1 4.29Å; L460-F471 HydrophobicContact CB-CD2 4.04Å; L460-F471 HydrophobicContact CB-CG 3.8Å; L460-F471 HydrophobicContact CD1-CD1 4.02Å; L460-F471 HydrophobicContact CD1-CD2 4.23Å; L460-F471 HydrophobicContact CD1-CE1 3.9Å; L460-F471 HydrophobicContact CD1-CE2 4.12Å; L460-F471 HydrophobicContact CD1-CG 4.19Å; L460-F471 HydrophobicContact CD1-CZ 3.95Å; L460-F471 WeakPolarHBondContact O-CB 3.38Å; R461-F471 HydrophobicContact CG-CB 4.08Å; R461-F471 PolarHBondContact NE-O 2.79Å; S467-F471 WeakPolarHBondContact O-CD2 3.48Å; S467-F471 PolarHBondContact O-N 2.9Å; D468-F471 PolarHBondContact O-N 2.95Å; F471-M674 HydrophobicContact CZ-CE 4.43Å; F471-L681 HydrophobicContact CE2-CB 4.12Å; F471-L681 HydrophobicContact CE2-CD2 4.02Å; F471-L681 HydrophobicContact CZ-CB 4.22Å; F471-F682 HydrophobicContact CD2-CD2 4.34Å; F471-F682 HydrophobicContact CD2-CE2 4.28Å; F471-F682 AromaticContact CE2-CD2 3.81Å; F471-F682 HydrophobicContact CE2-CD2 3.81Å; F471-F682 AromaticContact CE2-CE2 3.99Å; F471-F682 HydrophobicContact CE2-CE2 3.99Å
472	Q	91.5	Very high	91.3	Very high	77 Å²	77	45.3 Å²	45.3	36%	0.36	26%	0.264	S	S	.	.			trans	-57.2	140.2	171.6	-169.9	-177.2	106	0	0	110.6	D468 G479	D468-Q472 WeakPolarHBondContact O-CB 3.28Å; D468-Q472 PolarHBondContact O-N 3.1Å; D468-Q472 WeakPolarHBondContact OD1-CB 3.49Å; D468-Q472 PolarHBondContact OD2-NE2 2.78Å; Q472-G479 WeakPolarHBondContact O-CA 3.23Å; Q472-G479 PolarHBondContact O-N 3.19Å
473	K	89.9	Confident	91.6	Very high	122 Å²	122	45.8 Å²	45.8	53%	0.53	26%	0.262	S	S	.	.			trans	-124.6	121.8	172.2	-178.1	162.4	-174.7	155.4	0	109.8
474	S	87.6	Confident	92	Very high	38 Å²	38	40.2 Å²	40.2	27%	0.266	23%	0.226	S	C	.	.	S	Bend	trans	-143.4	-173.1	-175.4	75.6	0	0	0	0	110.2	S476 R477	S474-S476 PolarHBondContact O-N 3.47Å; S474-S476 PolarHBondContact OG-N 3.5Å; S474-S476 PolarHBondContact OG-OG 2.86Å; S474-R477 PolarHBondContact N-O 2.86Å; S474-R477 VanDerWaalsContact N-O 3.11Å; S474-R477 WeakPolarHBondContact OG-CB 3.4Å; S474-R477 PolarHBondContact OG-N 3.39Å
475	S	85.4	Confident	92.7	Very high	61 Å²	61	36.2 Å²	36.2	43%	0.427	19%	0.185	S	C	.	.	S	Bend	trans	-72.6	-4.7	168.9	45.1	0	0	0	0	114	L656 D657 L660	S475-L656 CarbonylContact O-C 3.51Å; S475-L656 WeakPolarHBondContact O-CA 3.27Å; S475-D657 PolarHBondContact O-N 2.84Å; S475-L660 WeakPolarHBondContact OG-CD1 3.39Å
476	S	86.5	Confident	93	Very high	24 Å²	24	36.9 Å²	36.9	17%	0.168	18%	0.183	C	C	.	.	S	Bend	trans	-128.4	6.8	178	59.5	0	0	0	0	113.8	S474 F668	S474-S476 PolarHBondContact O-N 3.47Å; S474-S476 PolarHBondContact OG-N 3.5Å; S474-S476 PolarHBondContact OG-OG 2.86Å; S476-F668 WeakPolarHBondContact O-CD2 3.35Å
477	R	90.7	Very high	93.5	Very high	32 Å²	32	32.8 Å²	32.8	12%	0.121	16%	0.162	C	C	.	.			trans	-142.8	129.8	-177.6	-64.9	-63.9	-169	-78.6	-4.5	111.8	S474 D664 G667 S671	S474-R477 PolarHBondContact N-O 2.86Å; S474-R477 VanDerWaalsContact N-O 3.11Å; S474-R477 WeakPolarHBondContact OG-CB 3.4Å; S474-R477 PolarHBondContact OG-N 3.39Å; R477-D664 IonicContact CZ-OD2 3.11Å; R477-D664 IonicContact NH1-OD2 3.5Å; R477-D664 PolarHBondContact NH1-OD2 3.04Å; R477-D664 IonicContact NH2-OD1 3.92Å; R477-D664 IonicContact NH2-OD2 3.53Å; R477-D664 PolarHBondContact NH2-OD2 2.95Å; R477-G667 PolarHBondContact NE-O 2.85Å; R477-G667 VanDerWaalsContact NE-O 3.14Å; R477-G667 PolarHBondContact NH2-O 3.08Å; R477-S671 VanDerWaalsContact CD-CB 3.48Å; R477-S671 WeakPolarHBondContact CD-OG 3.32Å
478	I	93.4	Very high	93.6	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	16%	0.163	C	C	.	.			trans	-72.2	-43.8	-179.6	-61.3	167.4	0	0	0	110.5	Y482 N650 Q651 A654 L656 F668	I478-Y482 HydrophobicContact CB-CE1 3.95Å; I478-Y482 HydrophobicContact CD1-CD1 4.45Å; I478-Y482 HydrophobicContact CD1-CE1 3.8Å; I478-Y482 HydrophobicContact CG1-CE1 4.47Å; I478-Y482 HydrophobicContact CG2-CD1 3.96Å; I478-Y482 HydrophobicContact CG2-CE1 3.62Å; I478-N650 HydrophobicContact CD1-CB 4.11Å; I478-Q651 HydrophobicContact CD1-CG 4.23Å; I478-A654 HydrophobicContact CB-CB 4.28Å; I478-A654 HydrophobicContact CG1-CB 3.98Å; I478-A654 HydrophobicContact CG2-CB 4.23Å; I478-L656 HydrophobicContact CG1-CD1 3.91Å; I478-F668 HydrophobicContact CD1-CE2 4.07Å; I478-F668 HydrophobicContact CD1-CZ 4.17Å; I478-F668 HydrophobicContact CG1-CE2 4.22Å
479	G	94.1	Very high	93.7	Very high	4 Å²	4	33 Å²	33	4%	0.041	16%	0.164	C	C	.	.			trans	75.7	167.2	-170.1	0	0	0	0	0	112.4	F470 Q472 T481 Y482	F470-G479 CarbonylContact O-C 3.59Å; F470-G479 WeakPolarHBondContact O-CA 3.39Å; Q472-G479 WeakPolarHBondContact O-CA 3.23Å; Q472-G479 PolarHBondContact O-N 3.19Å; G479-T481 PolarHBondContact O-N 3.45Å; G479-Y482 VanDerWaalsContact O-CE2 3.23Å; G479-Y482 WeakPolarHBondContact O-CE2 3.45Å
480	G	94.8	Very high	93.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-62.1	39.8	-169.8	0	0	0	0	0	119.7	N446 Y447 F470	N446-G480 PolarHBondContact OD1-O 3.49Å; N446-G480 VanDerWaalsContact OD1-O 3.13Å; Y447-G480 PolarHBondContact N-O 2.94Å; Y447-G480 VanDerWaalsContact N-O 3.08Å; F470-G480 PolarHBondContact O-N 3.36Å
481	T	96.6	Very high	93.7	Very high	48 Å²	48	33.6 Å²	33.6	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	114	173.7	-58.2	0	0	0	0	111.3	Q444 W445 N446 G479	Q444-T481 HydrophobicContact CG-CG2 3.71Å; W445-T481 CarbonylContact O-C 3.57Å; W445-T481 VanDerWaalsContact O-CA 3.23Å; W445-T481 WeakPolarHBondContact O-CA 3.47Å; W445-T481 WeakPolarHBondContact O-CG2 3.44Å; N446-T481 HydrophobicContact CB-CG2 4.38Å; G479-T481 PolarHBondContact O-N 3.45Å
482	Y	97.6	Very high	93.6	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.2	-167.4	-63.5	-98.6	0	0	0	111.1	W445 Y447 I478 G479 E641 N650 S671 N672 M674	W445-Y482 PolarHBondContact N-O 2.96Å; W445-Y482 PolarHBondContact O-N 2.94Å; Y447-Y482 AromaticContact CD2-CD2 3.85Å; Y447-Y482 HydrophobicContact CD2-CD2 3.85Å; Y447-Y482 HydrophobicContact CD2-CE2 4.2Å; Y447-Y482 AromaticContact CE2-CD2 3.54Å; Y447-Y482 HydrophobicContact CE2-CD2 3.54Å; Y447-Y482 HydrophobicContact CE2-CE2 4.07Å; Y447-Y482 HydrophobicContact CE2-CG 4.36Å; I478-Y482 HydrophobicContact CB-CE1 3.95Å; I478-Y482 HydrophobicContact CD1-CD1 4.45Å; I478-Y482 HydrophobicContact CD1-CE1 3.8Å; I478-Y482 HydrophobicContact CG1-CE1 4.47Å; I478-Y482 HydrophobicContact CG2-CD1 3.96Å; I478-Y482 HydrophobicContact CG2-CE1 3.62Å; G479-Y482 VanDerWaalsContact O-CE2 3.23Å; G479-Y482 WeakPolarHBondContact O-CE2 3.45Å; Y482-E641 WeakPolarHBondContact CB-OE1 3.36Å; Y482-E641 HydrophobicContact CD1-CB 3.81Å; Y482-E641 HydrophobicContact CD1-CG 3.71Å; Y482-E641 HydrophobicContact CD2-CG 4.18Å; Y482-E641 HydrophobicContact CE1-CB 3.75Å; Y482-E641 HydrophobicContact CE1-CG 3.88Å; Y482-E641 HydrophobicContact CE2-CG 4.3Å; Y482-E641 HydrophobicContact CG-CB 4.49Å; Y482-E641 HydrophobicContact CG-CG 3.89Å; Y482-N650 HydrophobicContact CD1-CB 4.11Å; Y482-S671 PolarHBondContact OH-O 3.27Å; Y482-N672 PolarHBondContact OH-OD1 3.36Å; Y482-M674 HydrophobicContact CE2-CE 4.41Å; Y482-M674 HydrophobicContact CE2-CG 4.37Å; Y482-M674 HydrophobicContact CE2-SD 4.19Å
483	W	97.7	Very high	93.6	Very high	98 Å²	98	38 Å²	38	37%	0.371	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.5	160.4	-71	100.2	0	0	0	109.7	I443 Q444 Y646 N650	I443-W483 WeakPolarHBondContact O-CA 3.36Å; Q444-W483 HydrophobicContact CB-CD2 4.48Å; Q444-W483 HydrophobicContact CB-CE3 4.32Å; Q444-W483 HydrophobicContact CB-CH2 4.4Å; Q444-W483 HydrophobicContact CB-CZ3 4.29Å; W483-Y646 HydrophobicContact CB-CD1 4.4Å; W483-Y646 HydrophobicContact CB-CG 4.31Å; W483-Y646 VanDerWaalsContact O-CB 3.29Å; W483-Y646 WeakPolarHBondContact O-CB 3.47Å; W483-N650 VanDerWaalsContact CB-OD1 3.3Å; W483-N650 WeakPolarHBondContact CB-OD1 3.19Å; W483-N650 PolarHBondContact N-OD1 3.21Å; W483-N650 PolarHBondContact O-ND2 2.91Å
484	K	97.6	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	174.5	-180	-62.9	-160.7	79.5	78.1	0	109.1	E442 I443 W445 Y447 I509 N604 S605 E641	E442-K484 WeakPolarHBondContact CA-O 3.2Å; I443-K484 HydrophobicContact CG1-CB 4.42Å; I443-K484 PolarHBondContact N-O 3.22Å; I443-K484 PolarHBondContact O-N 2.86Å; I443-K484 VanDerWaalsContact O-O 3.1Å; W445-K484 HydrophobicContact CB-CB 4.2Å; W445-K484 HydrophobicContact CB-CD 3.7Å; W445-K484 HydrophobicContact CB-CG 3.86Å; W445-K484 HydrophobicContact CG-CD 3.9Å; Y447-K484 PolarHBondContact OH-NZ 2.93Å; Y447-K484 VanDerWaalsContact OH-NZ 3.09Å; K484-I509 HydrophobicContact CB-CD1 4.42Å; K484-I509 HydrophobicContact CD-CD1 4.11Å; K484-N604 PolarHBondContact NZ-O 3.23Å; K484-S605 WeakPolarHBondContact CA-O 3.48Å; K484-S605 WeakPolarHBondContact CB-O 3.27Å; K484-S605 WeakPolarHBondContact CE-O 3.38Å; K484-E641 WeakPolarHBondContact CD-OE1 3.43Å; K484-E641 IonicContact NZ-OE1 2.68Å; K484-E641 PolarHBondContact NZ-OE1 3.24Å; K484-E641 IonicContact NZ-OE2 3.1Å; K484-E641 PolarHBondContact NZ-OE2 3.01Å
485	V	97.4	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.8	170.4	62.5	0	0	0	0	109.3	A440 H441 A530 F534 S605 G606 L607 Y646	A440-V485 HydrophobicContact CB-CG2 4.23Å; H441-V485 WeakPolarHBondContact O-CA 3.5Å; H441-V485 WeakPolarHBondContact O-CG2 3.45Å; V485-A530 HydrophobicContact CG2-CB 3.87Å; V485-F534 HydrophobicContact CB-CE2 4.32Å; V485-F534 HydrophobicContact CB-CZ 4.5Å; V485-F534 HydrophobicContact CG1-CE2 4.05Å; V485-F534 HydrophobicContact CG1-CZ 3.83Å; V485-F534 HydrophobicContact CG2-CE2 3.87Å; V485-F534 HydrophobicContact CG2-CZ 4.5Å; V485-S605 PolarHBondContact N-O 3.43Å; V485-G606 CarbonylContact O-C 3.51Å; V485-G606 WeakPolarHBondContact O-CA 3.2Å; V485-L607 HydrophobicContact CB-CD2 4.32Å; V485-L607 HydrophobicContact CG1-CD1 4.19Å; V485-L607 HydrophobicContact CG1-CD2 3.72Å; V485-L607 HydrophobicContact CG1-CG 3.59Å; V485-L607 HydrophobicContact CG2-CD2 3.89Å; V485-L607 HydrophobicContact CG2-CG 4.5Å; V485-Y646 HydrophobicContact CB-CE2 3.99Å; V485-Y646 HydrophobicContact CG1-CE2 4.06Å
486	R	96.2	Very high	94.1	Very high	40 Å²	40	39.9 Å²	39.9	15%	0.151	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.4	-178.8	179.4	165	-175.7	-99.3	-6.3	112.6	H441 I443 E488 G508 I509 L510	H441-R486 PolarHBondContact N-O 2.97Å; H441-R486 VanDerWaalsContact N-O 3.12Å; H441-R486 PolarHBondContact ND1-O 3.25Å; H441-R486 PolarHBondContact O-N 3.15Å; I443-R486 HydrophobicContact CD1-CB 3.66Å; I443-R486 HydrophobicContact CD1-CG 4.42Å; I443-R486 HydrophobicContact CG1-CB 4.29Å; R486-E488 IonicContact CZ-OE2 2.68Å; R486-E488 IonicContact NH1-OE2 3.99Å; R486-E488 PolarHBondContact NH1-OE2 3.2Å; R486-E488 IonicContact NH2-OE2 2.62Å; R486-G508 PolarHBondContact NE-O 2.98Å; R486-G508 PolarHBondContact NH2-O 2.97Å; R486-I509 HydrophobicContact CB-CD1 4.49Å; R486-I509 VanDerWaalsContact CD-O 3.22Å; R486-I509 WeakPolarHBondContact CD-O 3.4Å; R486-I509 WeakPolarHBondContact CG-O 3.34Å; R486-I509 PolarHBondContact NE-O 3.45Å; R486-I509 VanDerWaalsContact NE-O 3.1Å; R486-L510 PolarHBondContact NE-O 3.04Å; R486-L510 VanDerWaalsContact NE-O 3.11Å; R486-L510 PolarHBondContact NH2-O 3.21Å
487	Y	97.6	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.2	166.4	-67.2	-58	0	0	0	111.3	I438 E439 A440 F526 S535 M536 Y593 S595 L607	I438-Y487 HydrophobicContact CG2-CD1 3.77Å; I438-Y487 HydrophobicContact CG2-CG 4.19Å; E439-Y487 CarbonylContact O-C 3.58Å; E439-Y487 WeakPolarHBondContact O-CA 3.49Å; A440-Y487 HydrophobicContact CB-CD1 4.44Å; Y487-F526 AromaticContact CD1-CE2 3.95Å; Y487-F526 HydrophobicContact CD1-CE2 3.95Å; Y487-F526 HydrophobicContact CE1-CD2 4.44Å; Y487-F526 AromaticContact CE1-CE2 3.67Å; Y487-F526 HydrophobicContact CE1-CE2 3.67Å; Y487-F526 HydrophobicContact CE1-CZ 4.05Å; Y487-S535 PolarHBondContact OH-O 3.15Å; Y487-M536 HydrophobicContact CD1-CE 4.38Å; Y487-M536 HydrophobicContact CE1-CE 4.04Å; Y487-M536 HydrophobicContact CE1-CG 4.06Å; Y487-M536 HydrophobicContact CE1-SD 4.32Å; Y487-Y593 HydrophobicContact CD2-CD2 4.33Å; Y487-Y593 AromaticContact CD2-CE2 3.62Å; Y487-Y593 HydrophobicContact CD2-CE2 3.62Å; Y487-Y593 AromaticContact CE2-CD2 3.92Å; Y487-Y593 HydrophobicContact CE2-CD2 3.92Å; Y487-Y593 AromaticContact CE2-CE2 3.68Å; Y487-Y593 HydrophobicContact CE2-CE2 3.68Å; Y487-Y593 HydrophobicContact CG-CE2 4.12Å; Y487-S595 WeakPolarHBondContact OH-CB 3.32Å; Y487-S595 PolarHBondContact OH-N 2.99Å; Y487-S595 VanDerWaalsContact OH-N 3.16Å; Y487-L607 HydrophobicContact CD1-CD2 4.04Å; Y487-L607 HydrophobicContact CD2-CB 4.41Å; Y487-L607 HydrophobicContact CD2-CD2 4.12Å; Y487-L607 HydrophobicContact CE1-CD1 4.46Å; Y487-L607 HydrophobicContact CE1-CD2 4Å; Y487-L607 VanDerWaalsContact CE2-C 3.4Å; Y487-L607 HydrophobicContact CE2-CB 3.72Å; Y487-L607 HydrophobicContact CE2-CD2 4.1Å; Y487-L607 HydrophobicContact CE2-CG 4.43Å; Y487-L607 HydrophobicContact CG-CD2 4.1Å
488	E	95.6	Very high	94.2	Very high	21 Å²	21	47.2 Å²	47.2	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.6	179.7	-168.5	84.9	137	0	0	111.1	I438 E439 R486 F490 K498	I438-E488 WeakPolarHBondContact CA-O 3.31Å; E439-E488 PolarHBondContact N-O 2.7Å; E439-E488 PolarHBondContact O-N 3.36Å; R486-E488 IonicContact CZ-OE2 2.68Å; R486-E488 IonicContact NH1-OE2 3.99Å; R486-E488 PolarHBondContact NH1-OE2 3.2Å; R486-E488 IonicContact NH2-OE2 2.62Å; E488-F490 HydrophobicContact CB-CE2 4.08Å; E488-F490 HydrophobicContact CG-CE2 4Å; E488-F490 HydrophobicContact CG-CZ 4.5Å; E488-K498 HydrophobicContact CG-CD 4.03Å; E488-K498 HydrophobicContact CG-CG 4.31Å; E488-K498 WeakPolarHBondContact OE1-CD 3.38Å; E488-K498 WeakPolarHBondContact OE1-CE 3.46Å; E488-K498 IonicContact OE1-NZ 2.74Å; E488-K498 PolarHBondContact OE1-NZ 2.88Å
489	A	94.9	Very high	93.7	Very high	12 Å²	12	51.9 Å²	51.9	10%	0.099	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	143.4	177.6	0	0	0	0	0	113.4	F437 K498 M499 P512	F437-A489 WeakPolarHBondContact O-CA 3.26Å; A489-K498 WeakPolarHBondContact O-CA 3.46Å; A489-M499 HydrophobicContact CB-CB 3.92Å; A489-M499 PolarHBondContact O-N 3.13Å; A489-P512 HydrophobicContact CB-CB 3.65Å; A489-P512 HydrophobicContact CB-CG 3.8Å
490	F	95.2	Very high	92.6	Very high	7 Å²	7	59.4 Å²	59.4	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.3	173.9	-71	-98.6	0	0	0	111.1	F437 E439 E488 F495 E497 K498	F437-F490 HydrophobicContact CB-CB 4.34Å; F437-F490 PolarHBondContact O-N 2.73Å; E439-F490 HydrophobicContact CB-CD2 4.15Å; E439-F490 HydrophobicContact CB-CE2 3.61Å; E439-F490 HydrophobicContact CB-CZ 4.5Å; E488-F490 HydrophobicContact CB-CE2 4.08Å; E488-F490 HydrophobicContact CG-CE2 4Å; E488-F490 HydrophobicContact CG-CZ 4.5Å; F490-F495 HydrophobicContact CB-CD1 4.17Å; F490-F495 HydrophobicContact CD1-CB 4.29Å; F490-F495 AromaticContact CD2-CD1 3.69Å; F490-F495 HydrophobicContact CD2-CD1 3.69Å; F490-F495 HydrophobicContact CD2-CE1 4.41Å; F490-F495 VanDerWaalsContact CE1-C 3.43Å; F490-F495 HydrophobicContact CE1-CB 4.44Å; F490-F495 WeakPolarHBondContact CE1-O 3.3Å; F490-F495 HydrophobicContact CE2-CD1 4.24Å; F490-F495 HydrophobicContact CG-CB 4.35Å; F490-F495 AromaticContact CG-CD1 3.93Å; F490-F495 HydrophobicContact CG-CD1 3.93Å; F490-E497 WeakPolarHBondContact CA-O 3.45Å; F490-K498 HydrophobicContact CD1-CG 4.09Å; F490-K498 HydrophobicContact CE1-CG 3.52Å; F490-K498 HydrophobicContact CE2-CG 4.4Å; F490-K498 HydrophobicContact CZ-CD 4.43Å; F490-K498 HydrophobicContact CZ-CG 3.71Å
491	Q	92.3	Very high	91.8	Very high	104 Å²	104	64.1 Å²	64.1	49%	0.486	31%	0.309	S	S	.	.	S	Bend	trans	-70.7	-30.1	-177.7	-66.6	-175.7	31.3	0	0	113.3	E497 M499	Q491-E497 PolarHBondContact N-O 3.2Å; Q491-E497 PolarHBondContact NE2-OE1 3.5Å; Q491-M499 HydrophobicContact CB-CG 4.42Å; Q491-M499 HydrophobicContact CG-CG 3.59Å; Q491-M499 HydrophobicContact CG-SD 4.41Å
492	D	92.8	Very high	90.8	Very high	70 Å²	70	68 Å²	68	37%	0.374	32%	0.324	S	S	.	.	S	Bend	trans	-150.5	178.8	-177	73	15.8	0	0	0	113.2	F437 T494 F495	F437-D492 VanDerWaalsContact CG-C 3.47Å; D492-T494 PolarHBondContact O-N 3.26Å; D492-T494 VanDerWaalsContact O-N 3.09Å; D492-T494 WeakPolarHBondContact OD1-CA 3.48Å; D492-T494 WeakPolarHBondContact OD1-CB 3.41Å; D492-T494 WeakPolarHBondContact OD1-CG2 3.26Å; D492-T494 PolarHBondContact OD1-N 2.9Å; D492-T494 PolarHBondContact OD1-OG1 3.48Å; D492-F495 PolarHBondContact O-N 3.42Å
493	E	92.1	Very high	89.7	Confident	106 Å²	106	71.8 Å²	71.8	50%	0.495	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-1.4	-177.7	-143.7	-141.3	120.5	0	0	114.6	F437 F495 V525 K568	F437-E493 HydrophobicContact CD1-CB 3.92Å; F437-E493 HydrophobicContact CD1-CG 4.06Å; F437-E493 HydrophobicContact CE1-CB 3.7Å; F437-E493 HydrophobicContact CE1-CG 3.96Å; E493-F495 HydrophobicContact CG-CE2 4.38Å; E493-F495 VanDerWaalsContact O-CD2 3.22Å; E493-F495 WeakPolarHBondContact O-CD2 3.45Å; E493-F495 WeakPolarHBondContact O-CE2 3.41Å; E493-V525 HydrophobicContact CG-CG1 4Å; E493-K568 PolarHBondContact O-NZ 2.86Å; E493-K568 IonicContact OE1-NZ 3.72Å; E493-K568 PolarHBondContact OE1-NZ 3.39Å
494	T	90.9	Very high	89.1	Confident	78 Å²	78	69 Å²	69	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-20	176.2	73.3	0	0	0	0	112.9	D492 Q496	D492-T494 PolarHBondContact O-N 3.26Å; D492-T494 VanDerWaalsContact O-N 3.09Å; D492-T494 WeakPolarHBondContact OD1-CA 3.48Å; D492-T494 WeakPolarHBondContact OD1-CB 3.41Å; D492-T494 WeakPolarHBondContact OD1-CG2 3.26Å; D492-T494 PolarHBondContact OD1-N 2.9Å; D492-T494 PolarHBondContact OD1-OG1 3.48Å; T494-Q496 PolarHBondContact O-N 3.02Å; T494-Q496 PolarHBondContact OG1-N 3.09Å
495	F	90.9	Very high	88.6	Confident	18 Å²	18	74.6 Å²	74.6	8%	0.079	36%	0.355	C	S	.	.			trans	54.7	37.5	-175.6	-61.4	-89.5	0	0	0	113.3	F437 E439 F490 D492 E493 V525 Y527 K568	F437-F495 HydrophobicContact CB-CE1 4.08Å; F437-F495 HydrophobicContact CB-CZ 4.1Å; E439-F495 HydrophobicContact CB-CD1 3.99Å; E439-F495 HydrophobicContact CB-CE1 4.33Å; F490-F495 HydrophobicContact CB-CD1 4.17Å; F490-F495 HydrophobicContact CD1-CB 4.29Å; F490-F495 AromaticContact CD2-CD1 3.69Å; F490-F495 HydrophobicContact CD2-CD1 3.69Å; F490-F495 HydrophobicContact CD2-CE1 4.41Å; F490-F495 VanDerWaalsContact CE1-C 3.43Å; F490-F495 HydrophobicContact CE1-CB 4.44Å; F490-F495 WeakPolarHBondContact CE1-O 3.3Å; F490-F495 HydrophobicContact CE2-CD1 4.24Å; F490-F495 HydrophobicContact CG-CB 4.35Å; F490-F495 AromaticContact CG-CD1 3.93Å; F490-F495 HydrophobicContact CG-CD1 3.93Å; D492-F495 PolarHBondContact O-N 3.42Å; E493-F495 HydrophobicContact CG-CE2 4.38Å; E493-F495 VanDerWaalsContact O-CD2 3.22Å; E493-F495 WeakPolarHBondContact O-CD2 3.45Å; E493-F495 WeakPolarHBondContact O-CE2 3.41Å; F495-V525 HydrophobicContact CZ-CG1 4.38Å; F495-Y527 HydrophobicContact CB-CD1 4.46Å; F495-Y527 HydrophobicContact CD1-CD1 4.35Å; F495-Y527 HydrophobicContact CD2-CD1 4.25Å; F495-Y527 HydrophobicContact CG-CD1 4.09Å; F495-K568 HydrophobicContact CE2-CD 4.3Å
496	Q	90.4	Very high	88.4	Confident	165 Å²	165	75.2 Å²	75.2	77%	0.771	36%	0.358	S	S	*	.			trans	-104	-48.6	177.5	-62	-171.8	17.2	0	0	113.4	T494	T494-Q496 PolarHBondContact O-N 3.02Å; T494-Q496 PolarHBondContact OG1-N 3.09Å
497	E	90.9	Very high	88.3	Confident	121 Å²	121	73.4 Å²	73.4	57%	0.565	35%	0.351	S	S	*	.	S	Bend	trans	-98.9	111.1	-178.2	-160.2	170.7	145.1	0	0	111.5	F490 Q491	F490-E497 WeakPolarHBondContact CA-O 3.45Å; Q491-E497 PolarHBondContact N-O 3.2Å; Q491-E497 PolarHBondContact NE2-OE1 3.5Å
498	K	88.6	Confident	88.1	Confident	89 Å²	89	73.9 Å²	73.9	39%	0.387	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-68.7	141.9	178.7	-71.5	-173.9	166.5	-156	0	111.4	H441 E488 A489 F490	H441-K498 PolarHBondContact NE2-NZ 2.96Å; E488-K498 HydrophobicContact CG-CD 4.03Å; E488-K498 HydrophobicContact CG-CG 4.31Å; E488-K498 WeakPolarHBondContact OE1-CD 3.38Å; E488-K498 WeakPolarHBondContact OE1-CE 3.46Å; E488-K498 IonicContact OE1-NZ 2.74Å; E488-K498 PolarHBondContact OE1-NZ 2.88Å; A489-K498 WeakPolarHBondContact O-CA 3.46Å; F490-K498 HydrophobicContact CD1-CG 4.09Å; F490-K498 HydrophobicContact CE1-CG 3.52Å; F490-K498 HydrophobicContact CE2-CG 4.4Å; F490-K498 HydrophobicContact CZ-CD 4.43Å; F490-K498 HydrophobicContact CZ-CG 3.71Å
499	M	84.4	Confident	88.1	Confident	107 Å²	107	73.1 Å²	73.1	53%	0.527	35%	0.353	S	S	.	.			trans	-89	102.3	166.8	-70.6	-179.1	66.5	0	0	109.3	A489 Q491	A489-M499 HydrophobicContact CB-CB 3.92Å; A489-M499 PolarHBondContact O-N 3.13Å; Q491-M499 HydrophobicContact CB-CG 4.42Å; Q491-M499 HydrophobicContact CG-CG 3.59Å; Q491-M499 HydrophobicContact CG-SD 4.41Å
500	Q	71.1	Confident	88.2	Confident	162 Å²	162	72.6 Å²	72.6	76%	0.757	35%	0.348	S	S	*	.			trans	-127.2	107.2	178.4	-167	170.4	36.4	0	0	110.9
501	L	77.3	Confident	88.3	Confident	100 Å²	100	72.3 Å²	72.3	52%	0.524	35%	0.347	S	S	.	.			trans	-92.2	144.2	173.9	-65.9	167.1	0	0	0	110	E503 D504	L501-E503 PolarHBondContact O-N 2.92Å; L501-D504 HydrophobicContact CB-CB 4.26Å; L501-D504 PolarHBondContact O-N 3.2Å
502	E	74.6	Confident	88.4	Confident	129 Å²	129	68.2 Å²	68.2	60%	0.603	33%	0.33	S	S	*	.	S	Bend	trans	-67.6	-25.8	176	-173.9	165.9	-160.6	0	0	112	R505 R687	E502-R505 WeakPolarHBondContact O-CB 3.38Å; E502-R505 VanDerWaalsContact O-CG 3.25Å; E502-R505 WeakPolarHBondContact O-CG 3.49Å; E502-R505 PolarHBondContact O-N 2.96Å; E502-R505 IonicContact OE1-NH1 3.63Å; E502-R687 IonicContact OE1-CZ 2.97Å; E502-R687 IonicContact OE1-NH1 3.47Å; E502-R687 PolarHBondContact OE1-NH1 2.75Å
503	E	75.5	Confident	88.5	Confident	80 Å²	80	65.3 Å²	65.3	37%	0.374	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-70.8	-30.9	175.8	-63.9	-175.8	114.2	0	0	112.7	L501 R505 H506 K624 K630	L501-E503 PolarHBondContact O-N 2.92Å; E503-R505 PolarHBondContact O-N 2.77Å; E503-H506 PolarHBondContact O-CE1 3.28Å; E503-H506 PolarHBondContact O-ND1 2.98Å; E503-H506 PolarHBondContact O-NE2 3.21Å; E503-K624 IonicContact OE1-NZ 3.71Å; E503-K624 PolarHBondContact OE1-NZ 3.09Å; E503-K624 VanDerWaalsContact OE1-NZ 3.1Å; E503-K624 WeakPolarHBondContact OE2-CE 3.47Å; E503-K624 IonicContact OE2-NZ 2.72Å; E503-K624 PolarHBondContact OE2-NZ 2.97Å; E503-K630 IonicContact OE1-NZ 3.68Å; E503-K630 PolarHBondContact OE1-NZ 3.41Å
504	D	84.1	Confident	88.7	Confident	40 Å²	40	60.2 Å²	60.2	21%	0.214	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-76.4	-0.4	179	-71.3	-19	0	0	0	113.1	L501 H506 L507	L501-D504 HydrophobicContact CB-CB 4.26Å; L501-D504 PolarHBondContact O-N 3.2Å; D504-H506 PolarHBondContact O-N 3.23Å; D504-H506 VanDerWaalsContact O-N 3.13Å; D504-L507 HydrophobicContact CB-CD1 3.83Å; D504-L507 HydrophobicContact CB-CG 4.33Å; D504-L507 VanDerWaalsContact O-CB 3.28Å; D504-L507 WeakPolarHBondContact O-CB 3.25Å; D504-L507 VanDerWaalsContact O-CG 3.29Å; D504-L507 WeakPolarHBondContact O-CG 3.23Å; D504-L507 PolarHBondContact O-N 3.31Å
505	R	87.4	Confident	88.9	Confident	118 Å²	118	58.5 Å²	58.5	45%	0.445	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.4	-178.9	-75.6	-176.3	65.5	178.1	0.3	114.4	E502 E503 L507	E502-R505 WeakPolarHBondContact O-CB 3.38Å; E502-R505 VanDerWaalsContact O-CG 3.25Å; E502-R505 WeakPolarHBondContact O-CG 3.49Å; E502-R505 PolarHBondContact O-N 2.96Å; E502-R505 IonicContact OE1-NH1 3.63Å; E503-R505 PolarHBondContact O-N 2.77Å; R505-L507 VanDerWaalsContact C-N 3.28Å; R505-L507 PolarHBondContact O-N 2.71Å
506	H	93.1	Very high	89.1	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.056	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.9	-20.6	177.3	71.5	-87.1	0	0	0	112.8	E503 D504 G508 E631 F632 F633 N678 L685 L688	E503-H506 PolarHBondContact O-CE1 3.28Å; E503-H506 PolarHBondContact O-ND1 2.98Å; E503-H506 PolarHBondContact O-NE2 3.21Å; D504-H506 PolarHBondContact O-N 3.23Å; D504-H506 VanDerWaalsContact O-N 3.13Å; H506-G508 PolarHBondContact O-N 2.82Å; H506-G508 VanDerWaalsContact O-N 3.16Å; H506-E631 PolarHBondContact NE2-O 2.04Å; H506-F632 AromaticContact ND1-CD1 3.99Å; H506-F633 PolarHBondContact CD2-O 3.38Å; H506-N678 PolarHBondContact O-ND2 2.88Å; H506-L685 WeakPolarHBondContact O-CD1 3.38Å; H506-L688 HydrophobicContact CB-CD2 3.92Å
507	L	94.3	Very high	89.4	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.8	-25.6	-176.9	-65.4	-179.3	0	0	0	113.3	D504 R505 I509 L510 V513 F633 N678	D504-L507 HydrophobicContact CB-CD1 3.83Å; D504-L507 HydrophobicContact CB-CG 4.33Å; D504-L507 VanDerWaalsContact O-CB 3.28Å; D504-L507 WeakPolarHBondContact O-CB 3.25Å; D504-L507 VanDerWaalsContact O-CG 3.29Å; D504-L507 WeakPolarHBondContact O-CG 3.23Å; D504-L507 PolarHBondContact O-N 3.31Å; R505-L507 VanDerWaalsContact C-N 3.28Å; R505-L507 PolarHBondContact O-N 2.71Å; L507-I509 PolarHBondContact O-N 2.66Å; L507-L510 HydrophobicContact CB-CB 4.21Å; L507-L510 HydrophobicContact CD2-CD1 4.45Å; L507-L510 VanDerWaalsContact O-CB 3.25Å; L507-L510 WeakPolarHBondContact O-CB 3.35Å; L507-L510 PolarHBondContact O-N 3.33Å; L507-V513 HydrophobicContact CD1-CG2 4.08Å; L507-V513 HydrophobicContact CD2-CG2 4.24Å; L507-F633 HydrophobicContact CD2-CB 3.72Å; L507-F633 HydrophobicContact CD2-CD2 4.34Å; L507-F633 HydrophobicContact CD2-CG 4.33Å; L507-N678 WeakPolarHBondContact O-CB 3.39Å
508	G	94.4	Very high	89.6	Confident	10 Å²	10	46.6 Å²	46.6	10%	0.103	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-119.4	175.5	0	0	0	0	0	112.6	R486 H506 L510	R486-G508 PolarHBondContact NE-O 2.98Å; R486-G508 PolarHBondContact NH2-O 2.97Å; H506-G508 PolarHBondContact O-N 2.82Å; H506-G508 VanDerWaalsContact O-N 3.16Å; G508-L510 VanDerWaalsContact C-N 3.28Å; G508-L510 PolarHBondContact O-N 3.45Å
509	I	95.4	Very high	89.8	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.7	177.1	-165.8	60.2	0	0	0	112.7	I443 W445 K484 R486 L507 N678	I443-I509 HydrophobicContact CD1-CD1 4.09Å; W445-I509 HydrophobicContact CD2-CD1 3.89Å; W445-I509 HydrophobicContact CE3-CD1 3.91Å; W445-I509 HydrophobicContact CG-CD1 4.24Å; W445-I509 HydrophobicContact CH2-CB 4.31Å; W445-I509 VanDerWaalsContact CH2-N 3.32Å; W445-I509 HydrophobicContact CZ2-CB 4.09Å; W445-I509 HydrophobicContact CZ3-CD1 4.41Å; K484-I509 HydrophobicContact CB-CD1 4.42Å; K484-I509 HydrophobicContact CD-CD1 4.11Å; R486-I509 HydrophobicContact CB-CD1 4.49Å; R486-I509 VanDerWaalsContact CD-O 3.22Å; R486-I509 WeakPolarHBondContact CD-O 3.4Å; R486-I509 WeakPolarHBondContact CG-O 3.34Å; R486-I509 PolarHBondContact NE-O 3.45Å; R486-I509 VanDerWaalsContact NE-O 3.1Å; L507-I509 PolarHBondContact O-N 2.66Å; I509-N678 WeakPolarHBondContact CG2-O 3.3Å; I509-N678 PolarHBondContact N-O 3.15Å
510	L	96.8	Very high	90.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-60.2	149	-175.2	-69.7	174.8	0	0	0	112.9	R486 L507 G508 V608 L635 N678	R486-L510 PolarHBondContact NE-O 3.04Å; R486-L510 VanDerWaalsContact NE-O 3.11Å; R486-L510 PolarHBondContact NH2-O 3.21Å; L507-L510 HydrophobicContact CB-CB 4.21Å; L507-L510 HydrophobicContact CD2-CD1 4.45Å; L507-L510 VanDerWaalsContact O-CB 3.25Å; L507-L510 WeakPolarHBondContact O-CB 3.35Å; L507-L510 PolarHBondContact O-N 3.33Å; G508-L510 VanDerWaalsContact C-N 3.28Å; G508-L510 PolarHBondContact O-N 3.45Å; L510-V608 HydrophobicContact CD2-CB 3.99Å; L510-V608 HydrophobicContact CD2-CG1 3.84Å; L510-L635 HydrophobicContact CD1-CB 4.14Å; L510-L635 HydrophobicContact CD2-CB 3.94Å; L510-L635 HydrophobicContact CD2-CD2 3.8Å; L510-L635 HydrophobicContact CD2-CG 4.47Å; L510-L635 HydrophobicContact CG-CB 4.3Å; L510-N678 VanDerWaalsContact CD1-OD1 3.22Å; L510-N678 WeakPolarHBondContact CD1-OD1 3.47Å
511	G	96.3	Very high	91.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-67.5	173.7	167.8	0	0	0	0	0	114.5	V608 P610	G511-V608 PolarHBondContact N-O 3.07Å; G511-P610 WeakPolarHBondContact O-CD 3.35Å
512	P	95.6	Very high	92.5	Very high	19 Å²	19	25.9 Å²	25.9	12%	0.123	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-64.3	147.4	178.2	29.1	-38.3	0	0	0	112.9	I438 A489 I514 Y593	I438-P512 HydrophobicContact CD1-CG 3.81Å; I438-P512 HydrophobicContact CG1-CG 4.06Å; A489-P512 HydrophobicContact CB-CB 3.65Å; A489-P512 HydrophobicContact CB-CG 3.8Å; P512-I514 PolarHBondContact O-N 2.66Å; P512-Y593 VanDerWaalsContact CD-OH 3.23Å; P512-Y593 WeakPolarHBondContact CD-OH 3.33Å; P512-Y593 WeakPolarHBondContact O-CE1 3.48Å; P512-Y593 PolarHBondContact O-OH 3.14Å
513	V	95.4	Very high	93.5	Very high	8 Å²	8	22.3 Å²	22.3	5%	0.048	11%	0.108	C	C	.	.			trans	-74.4	110.9	179.1	-165.7	0	0	0	0	111.7	L507 R515 P610 F633	L507-V513 HydrophobicContact CD1-CG2 4.08Å; L507-V513 HydrophobicContact CD2-CG2 4.24Å; V513-R515 HydrophobicContact CG1-CG 3.97Å; V513-P610 WeakPolarHBondContact CA-O 3.44Å; V513-P610 HydrophobicContact CB-CG 4.13Å; V513-P610 HydrophobicContact CG1-CB 4.4Å; V513-P610 HydrophobicContact CG1-CG 4.11Å; V513-P610 HydrophobicContact CG2-CG 3.77Å; V513-F633 HydrophobicContact CG1-CD1 4.34Å; V513-F633 HydrophobicContact CG1-CE1 3.75Å; V513-F633 HydrophobicContact CG1-CE2 4.1Å; V513-F633 HydrophobicContact CG1-CZ 3.64Å; V513-F633 HydrophobicContact CG2-CD2 3.94Å; V513-F633 HydrophobicContact CG2-CE2 3.97Å; V513-F633 HydrophobicContact CG2-CG 4.32Å; V513-F633 HydrophobicContact CG2-CZ 4.36Å
514	I	96.1	Very high	94.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.1	171.5	-64	179.4	0	0	0	108.7	Y436 I438 P512 I522 V524 W573 Y593 P610 L611 L612	Y436-I514 HydrophobicContact CD1-CG1 4.44Å; Y436-I514 HydrophobicContact CD2-CG2 4.39Å; Y436-I514 HydrophobicContact CE2-CG2 3.97Å; I438-I514 HydrophobicContact CD1-CD1 4.06Å; I438-I514 HydrophobicContact CD1-CG1 4.38Å; P512-I514 PolarHBondContact O-N 2.66Å; I514-I522 HydrophobicContact CG2-CD1 4.09Å; I514-I522 HydrophobicContact CG2-CG2 3.93Å; I514-V524 HydrophobicContact CD1-CG2 4.05Å; I514-W573 HydrophobicContact CD1-CH2 4.35Å; I514-W573 HydrophobicContact CD1-CZ3 3.88Å; I514-Y593 HydrophobicContact CB-CE1 4.31Å; I514-Y593 HydrophobicContact CD1-CD1 3.68Å; I514-Y593 HydrophobicContact CD1-CE1 3.52Å; I514-Y593 HydrophobicContact CD1-CG 4.26Å; I514-Y593 HydrophobicContact CG1-CD1 4.18Å; I514-Y593 HydrophobicContact CG1-CE1 3.68Å; I514-P610 PolarHBondContact N-O 3.14Å; I514-L611 HydrophobicContact CB-CD1 4.34Å; I514-L611 HydrophobicContact CB-CG 4.2Å; I514-L611 HydrophobicContact CG2-CD1 4.03Å; I514-L611 HydrophobicContact CG2-CG 4.1Å; I514-L611 CarbonylContact O-C 3.58Å; I514-L611 WeakPolarHBondContact O-CA 3.4Å; I514-L612 PolarHBondContact O-N 3.36Å
515	R	95.1	Very high	95.3	Very high	41 Å²	41	17.2 Å²	17.2	16%	0.155	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127.1	-174.8	-59.5	-171.3	173.5	84.6	-7.9	112.3	R434 Y436 V513 L612 L619 G623 E631	R434-R515 WeakPolarHBondContact CD-O 3.44Å; R434-R515 PolarHBondContact NE-O 3.29Å; R434-R515 PolarHBondContact NH1-O 2.89Å; Y436-R515 PolarHBondContact OH-N 2.7Å; Y436-R515 PolarHBondContact OH-O 2.74Å; V513-R515 HydrophobicContact CG1-CG 3.97Å; R515-L612 WeakPolarHBondContact CA-O 3.36Å; R515-L612 HydrophobicContact CG-CB 4.12Å; R515-L612 HydrophobicContact CG-CD2 4.33Å; R515-L619 HydrophobicContact CB-CD1 4.13Å; R515-G623 WeakPolarHBondContact CD-O 3.42Å; R515-E631 IonicContact NE-OE1 3.88Å; R515-E631 IonicContact NH2-OE1 3.8Å
516	A	95.4	Very high	95.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.7	178.5	0	0	0	0	0	112.7	D520 I522 V575 L612 C614	A516-D520 HydrophobicContact CB-CB 4.38Å; A516-I522 HydrophobicContact CB-CD1 3.82Å; A516-I522 HydrophobicContact CB-CG1 3.86Å; A516-V575 HydrophobicContact CB-CG2 3.74Å; A516-L612 PolarHBondContact N-O 2.72Å; A516-C614 PolarHBondContact O-N 3.39Å
517	E	95.6	Very high	96	Very high	22 Å²	22	13.3 Å²	13.3	10%	0.103	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	157.6	164	-69.8	-173.1	159.9	0	0	111	G519 D520 C614 G617 A618 L619	E517-G519 PolarHBondContact O-N 3.46Å; E517-D520 WeakPolarHBondContact CB-OD2 3.46Å; E517-D520 PolarHBondContact N-OD2 3.22Å; E517-D520 WeakPolarHBondContact O-CB 3.48Å; E517-D520 PolarHBondContact O-N 2.69Å; E517-C614 CarbonylContact C-O 3.55Å; E517-C614 VanDerWaalsContact CA-O 3.25Å; E517-C614 WeakPolarHBondContact CA-O 3.28Å; E517-C614 HydrophobicContact CG-CB 4.3Å; E517-G617 VanDerWaalsContact OE1-C 3.24Å; E517-G617 WeakPolarHBondContact OE1-CA 3.06Å; E517-G617 PolarHBondContact OE1-N 2.7Å; E517-G617 VanDerWaalsContact OE1-N 3.13Å; E517-G617 PolarHBondContact OE2-N 3.5Å; E517-A618 PolarHBondContact OE1-N 3.33Å; E517-L619 HydrophobicContact CG-CB 4.21Å; E517-L619 HydrophobicContact CG-CD1 4.03Å; E517-L619 HydrophobicContact CG-CG 4.03Å; E517-L619 WeakPolarHBondContact OE1-CA 3.45Å; E517-L619 WeakPolarHBondContact OE1-CB 3.18Å; E517-L619 PolarHBondContact OE1-N 3.39Å
518	V	94.9	Very high	96.1	Very high	33 Å²	33	13.1 Å²	13.1	20%	0.2	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	125.8	169.7	174.4	0	0	0	0	111	V575 C614 A616	V518-V575 HydrophobicContact CG2-CG1 4.27Å; V518-C614 WeakPolarHBondContact CG2-O 3.28Å; V518-C614 PolarHBondContact N-O 3.14Å; V518-A616 HydrophobicContact CB-CB 4.37Å
519	G	93.2	Very high	96.2	Very high	5 Å²	5	18.8 Å²	18.8	5%	0.052	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-9.9	-174.5	0	0	0	0	0	114.3	L429 G431 E517 V575	L429-G519 WeakPolarHBondContact CB-O 3.49Å; G431-G519 WeakPolarHBondContact CA-O 3.37Å; G431-G519 PolarHBondContact N-O 3.05Å; E517-G519 PolarHBondContact O-N 3.46Å; G519-V575 WeakPolarHBondContact CA-O 3.29Å; G519-V575 PolarHBondContact N-O 3.3Å
520	D	95.3	Very high	96.2	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.086	C	C	.	.			trans	-79.2	160.4	179.1	-68.1	-23.3	0	0	0	113.1	G431 K432 R434 A516 E517 V575	G431-D520 WeakPolarHBondContact CA-OD1 3.05Å; K432-D520 PolarHBondContact N-OD1 3.3Å; K432-D520 WeakPolarHBondContact O-CA 3.44Å; K432-D520 WeakPolarHBondContact O-CB 3.48Å; R434-D520 IonicContact CZ-OD2 3.45Å; R434-D520 IonicContact NE-OD2 2.75Å; R434-D520 PolarHBondContact NE-OD2 3.14Å; R434-D520 IonicContact NH2-OD2 2.74Å; R434-D520 PolarHBondContact NH2-OD2 3.21Å; A516-D520 HydrophobicContact CB-CB 4.38Å; E517-D520 WeakPolarHBondContact CB-OD2 3.46Å; E517-D520 PolarHBondContact N-OD2 3.22Å; E517-D520 WeakPolarHBondContact O-CB 3.48Å; E517-D520 PolarHBondContact O-N 2.69Å; D520-V575 PolarHBondContact O-N 2.66Å; D520-V575 VanDerWaalsContact O-N 3.08Å
521	T	95.9	Very high	96.1	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.086	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.3	166.9	-60	0	0	0	0	108.8	K432 V433 R434 R572 W573 T574	K432-T521 PolarHBondContact O-N 2.98Å; V433-T521 CarbonylContact C-O 3.53Å; V433-T521 WeakPolarHBondContact CA-O 3.42Å; R434-T521 PolarHBondContact N-O 2.84Å; T521-R572 HydrophobicContact CG2-CG 3.97Å; T521-W573 CarbonylContact C-O 3.55Å; T521-T574 HydrophobicContact CG2-CG2 4.41Å
522	I	97.1	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.4	173.7	-50.9	173	0	0	0	107.7	Y436 I514 A516 V524 V541 R572 W573 V575 L611	Y436-I522 HydrophobicContact CD2-CG2 4.09Å; Y436-I522 HydrophobicContact CE2-CG2 4.25Å; I514-I522 HydrophobicContact CG2-CD1 4.09Å; I514-I522 HydrophobicContact CG2-CG2 3.93Å; A516-I522 HydrophobicContact CB-CD1 3.82Å; A516-I522 HydrophobicContact CB-CG1 3.86Å; I522-V524 HydrophobicContact CG2-CG2 3.88Å; I522-V541 HydrophobicContact CD1-CG1 4.14Å; I522-R572 WeakPolarHBondContact O-CA 3.38Å; I522-W573 HydrophobicContact CB-CB 4.31Å; I522-W573 HydrophobicContact CB-CE3 4.19Å; I522-W573 HydrophobicContact CD1-CE3 4.24Å; I522-W573 HydrophobicContact CG2-CE3 3.85Å; I522-W573 HydrophobicContact CG2-CZ3 4.3Å; I522-W573 PolarHBondContact N-O 3.15Å; I522-W573 PolarHBondContact O-N 3.35Å; I522-V575 HydrophobicContact CD1-CG2 4.47Å; I522-L611 HydrophobicContact CD1-CD1 4.39Å
523	Q	97.5	Very high	96.2	Very high	55 Å²	55	25.6 Å²	25.6	26%	0.257	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.3	173.5	-177.4	-178.1	3.7	0	0	108.7	V433 R434 Q435 Y436 T570 Y571	V433-Q523 HydrophobicContact CG1-CB 4.23Å; R434-Q523 PolarHBondContact O-N 3.48Å; Q435-Q523 CarbonylContact C-O 3.53Å; Q435-Q523 WeakPolarHBondContact CA-O 3.15Å; Q435-Q523 HydrophobicContact CG-CB 4.17Å; Q435-Q523 HydrophobicContact CG-CG 4.47Å; Y436-Q523 PolarHBondContact N-O 2.87Å; Q523-T570 HydrophobicContact CG-CG2 3.76Å; Q523-Y571 WeakPolarHBondContact CA-O 3.41Å
524	V	97.8	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.5	-179	-175.4	0	0	0	0	109.1	Y436 I438 I514 I522 F526 M536 T570 Y571 W573	Y436-V524 WeakPolarHBondContact O-CA 3.38Å; I438-V524 HydrophobicContact CB-CG1 4.34Å; I438-V524 HydrophobicContact CD1-CG1 3.93Å; I438-V524 HydrophobicContact CG1-CG1 4.22Å; I514-V524 HydrophobicContact CD1-CG2 4.05Å; I522-V524 HydrophobicContact CG2-CG2 3.88Å; V524-F526 PolarHBondContact O-N 2.91Å; V524-M536 HydrophobicContact CG1-CE 4.22Å; V524-M536 HydrophobicContact CG1-SD 3.67Å; V524-T570 CarbonylContact O-C 3.58Å; V524-T570 WeakPolarHBondContact O-CA 3.48Å; V524-Y571 PolarHBondContact N-O 3.03Å; V524-Y571 PolarHBondContact O-N 2.86Å; V524-W573 HydrophobicContact CG2-CE3 4.37Å; V524-W573 HydrophobicContact CG2-CH2 4Å; V524-W573 HydrophobicContact CG2-CZ3 3.83Å
525	V	97.8	Very high	96.3	Very high	12 Å²	12	25.2 Å²	25.2	7%	0.073	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.5	167.9	-176.3	0	0	0	0	107.2	Y436 F437 I438 E493 F495 T570	Y436-V525 PolarHBondContact O-N 3.29Å; F437-V525 HydrophobicContact CD1-CB 3.83Å; F437-V525 HydrophobicContact CD1-CG1 4.42Å; F437-V525 HydrophobicContact CD1-CG2 4.09Å; F437-V525 HydrophobicContact CE1-CB 4.23Å; F437-V525 HydrophobicContact CE1-CG2 3.96Å; I438-V525 PolarHBondContact N-O 2.82Å; E493-V525 HydrophobicContact CG-CG1 4Å; F495-V525 HydrophobicContact CZ-CG1 4.38Å; V525-T570 HydrophobicContact CG2-CG2 4.28Å
526	F	98	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128	-177.9	178.4	-126.6	0	0	0	110	I438 A440 Y487 V524 N528 F534 M536 A563 K568 V569 Y571	I438-F526 HydrophobicContact CG2-CD2 4.43Å; I438-F526 WeakPolarHBondContact O-CA 2.92Å; I438-F526 WeakPolarHBondContact O-CD2 3.24Å; A440-F526 HydrophobicContact CB-CE2 3.57Å; A440-F526 HydrophobicContact CB-CZ 3.55Å; Y487-F526 AromaticContact CD1-CE2 3.95Å; Y487-F526 HydrophobicContact CD1-CE2 3.95Å; Y487-F526 HydrophobicContact CE1-CD2 4.44Å; Y487-F526 AromaticContact CE1-CE2 3.67Å; Y487-F526 HydrophobicContact CE1-CE2 3.67Å; Y487-F526 HydrophobicContact CE1-CZ 4.05Å; V524-F526 PolarHBondContact O-N 2.91Å; F526-N528 HydrophobicContact CE1-CB 4.13Å; F526-N528 HydrophobicContact CZ-CB 4.25Å; F526-F534 HydrophobicContact CE1-CB 4.33Å; F526-F534 HydrophobicContact CZ-CB 4.22Å; F526-M536 HydrophobicContact CB-CG 4.43Å; F526-M536 HydrophobicContact CB-SD 3.8Å; F526-M536 HydrophobicContact CD1-CG 4.15Å; F526-M536 HydrophobicContact CD1-SD 4.48Å; F526-M536 HydrophobicContact CD2-CG 4.09Å; F526-M536 HydrophobicContact CD2-SD 3.59Å; F526-M536 VanDerWaalsContact CD2-SD 3.59Å; F526-M536 HydrophobicContact CE1-CG 4.44Å; F526-M536 HydrophobicContact CE2-CG 4.4Å; F526-M536 HydrophobicContact CE2-SD 4.29Å; F526-M536 HydrophobicContact CG-CG 3.97Å; F526-M536 HydrophobicContact CG-SD 3.71Å; F526-A563 HydrophobicContact CD1-CB 3.81Å; F526-A563 HydrophobicContact CE1-CB 3.84Å; F526-K568 WeakPolarHBondContact O-CA 3.4Å; F526-V569 HydrophobicContact CB-CG2 3.93Å; F526-V569 HydrophobicContact CD1-CG2 3.9Å; F526-V569 HydrophobicContact CG-CG2 4.42Å; F526-V569 PolarHBondContact N-O 2.93Å; F526-V569 PolarHBondContact O-N 3.2Å; F526-Y571 HydrophobicContact CB-CD2 4.08Å; F526-Y571 HydrophobicContact CB-CE2 3.76Å; F526-Y571 AromaticContact CD1-CE2 3.99Å; F526-Y571 HydrophobicContact CD1-CE2 3.99Å; F526-Y571 HydrophobicContact CG-CE2 4.18Å
527	Y	97.6	Very high	96.5	Very high	48 Å²	48	23.3 Å²	23.3	19%	0.188	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.2	173.3	177.9	-136.9	0	0	0	109.5	I438 E439 A440 F495 R529 K568	I438-Y527 PolarHBondContact O-N 2.82Å; E439-Y527 CarbonylContact C-O 3.55Å; E439-Y527 VanDerWaalsContact CA-O 3.29Å; E439-Y527 WeakPolarHBondContact CA-O 3.27Å; E439-Y527 HydrophobicContact CG-CD1 3.92Å; E439-Y527 WeakPolarHBondContact OE2-CD1 3.33Å; E439-Y527 WeakPolarHBondContact OE2-CE1 3.42Å; A440-Y527 PolarHBondContact N-O 2.82Å; F495-Y527 HydrophobicContact CB-CD1 4.46Å; F495-Y527 HydrophobicContact CD1-CD1 4.35Å; F495-Y527 HydrophobicContact CD2-CD1 4.25Å; F495-Y527 HydrophobicContact CG-CD1 4.09Å; Y527-R529 HydrophobicContact CD1-CB 4.46Å; Y527-R529 HydrophobicContact CE1-CB 4.04Å; Y527-R529 HydrophobicContact CE1-CG 4.13Å; Y527-K568 HydrophobicContact CD2-CG 3.61Å; Y527-K568 HydrophobicContact CE2-CG 4.44Å; Y527-K568 HydrophobicContact CG-CG 4.1Å
528	N	97.5	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.8	174.5	-177.5	6	0	0	0	109.6	F526 A530 Q532 F534 A563 F566 E567	F526-N528 HydrophobicContact CE1-CB 4.13Å; F526-N528 HydrophobicContact CZ-CB 4.25Å; N528-A530 PolarHBondContact OD1-N 2.71Å; N528-Q532 PolarHBondContact ND2-O 3.17Å; N528-F534 PolarHBondContact ND2-N 2.82Å; N528-A563 HydrophobicContact CB-CB 3.75Å; N528-A563 PolarHBondContact ND2-O 2.92Å; N528-F566 WeakPolarHBondContact O-CA 3.48Å; N528-F566 PolarHBondContact O-N 3.41Å; N528-E567 PolarHBondContact N-O 3.38Å; N528-E567 VanDerWaalsContact N-O 3.08Å
529	R	96.4	Very high	96.7	Very high	128 Å²	128	20.7 Å²	20.7	48%	0.483	10%	0.104	S	C	.	.			trans	-113.7	1.2	178.4	-164.1	-174.6	174.4	175	0.4	112.5	E439 A440 Y527 F566	E439-R529 HydrophobicContact CG-CB 3.95Å; E439-R529 WeakPolarHBondContact OE1-CD 3.26Å; E439-R529 IonicContact OE1-CZ 2.66Å; E439-R529 IonicContact OE1-NE 3.83Å; E439-R529 IonicContact OE1-NH1 3.14Å; E439-R529 PolarHBondContact OE1-NH1 3.1Å; E439-R529 WeakPolarHBondContact OE2-CD 3.25Å; E439-R529 IonicContact OE2-NH1 3.4Å; E439-R529 PolarHBondContact OE2-NH1 2.87Å; A440-R529 WeakPolarHBondContact O-CA 3.47Å; A440-R529 WeakPolarHBondContact O-CB 3.45Å; A440-R529 PolarHBondContact O-N 3.5Å; Y527-R529 HydrophobicContact CD1-CB 4.46Å; Y527-R529 HydrophobicContact CE1-CB 4.04Å; Y527-R529 HydrophobicContact CE1-CG 4.13Å; R529-F566 HydrophobicContact CG-CD1 4.32Å; R529-F566 HydrophobicContact CG-CE1 4.08Å
530	A	95.8	Very high	96.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	10%	0.102	C	C	.	.	S	Bend	trans	-83.4	172.3	176.4	0	0	0	0	0	111.7	A440 E442 V485 N528 F534 P565	A440-A530 PolarHBondContact O-N 2.97Å; E442-A530 HydrophobicContact CG-CB 3.93Å; V485-A530 HydrophobicContact CG2-CB 3.87Å; N528-A530 PolarHBondContact OD1-N 2.71Å; A530-F534 HydrophobicContact CB-CD2 4.03Å; A530-F534 HydrophobicContact CB-CE2 3.6Å; A530-P565 WeakPolarHBondContact O-CB 3.36Å
531	S	94.6	Very high	96.6	Very high	62 Å²	62	20.8 Å²	20.8	43%	0.434	10%	0.104	S	C	.	.	S	Bend	trans	-78.2	-17.2	-177.6	58.6	0	0	0	0	115.1	E442 P565	E442-S531 VanDerWaalsContact OE1-CB 3.25Å; E442-S531 WeakPolarHBondContact OE1-CB 3.39Å; E442-S531 PolarHBondContact OE1-N 3.3Å; E442-S531 PolarHBondContact OE1-OG 3.38Å; S531-P565 VanDerWaalsContact O-CG 3.26Å; S531-P565 WeakPolarHBondContact O-CG 3.09Å
532	Q	96.1	Very high	96.6	Very high	54 Å²	54	20.3 Å²	20.3	25%	0.252	10%	0.101	S	C	.	.	S	Bend	trans	-106.5	153.7	179.8	-56.8	-56.2	-24.8	0	0	111.7	N528 F534 W645	N528-Q532 PolarHBondContact ND2-O 3.17Å; Q532-F534 HydrophobicContact CB-CE1 4.03Å; Q532-F534 HydrophobicContact CB-CE2 3.95Å; Q532-F534 HydrophobicContact CB-CZ 3.67Å; Q532-F534 HydrophobicContact CG-CZ 4.32Å; Q532-F534 WeakPolarHBondContact O-CD2 3.41Å; Q532-W645 HydrophobicContact CG-CB 4.05Å; Q532-W645 HydrophobicContact CG-CD2 4Å; Q532-W645 HydrophobicContact CG-CE3 4.32Å; Q532-W645 HydrophobicContact CG-CG 3.91Å
533	P	96.4	Very high	96.4	Very high	52 Å²	52	20.7 Å²	20.7	34%	0.338	10%	0.102	S	C	.	.			trans	-70.3	136.2	169.4	31.4	-34.4	0	0	0	110.6	V562 A563	P533-V562 HydrophobicContact CB-CG1 3.99Å; P533-A563 WeakPolarHBondContact CA-O 3.33Å
534	F	97.5	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.9	-176.3	-68	-51.9	0	0	0	111	A440 V485 F526 N528 A530 Q532 V562 A563 D602 L607 W645	A440-F534 HydrophobicContact CB-CD2 4.45Å; V485-F534 HydrophobicContact CB-CE2 4.32Å; V485-F534 HydrophobicContact CB-CZ 4.5Å; V485-F534 HydrophobicContact CG1-CE2 4.05Å; V485-F534 HydrophobicContact CG1-CZ 3.83Å; V485-F534 HydrophobicContact CG2-CE2 3.87Å; V485-F534 HydrophobicContact CG2-CZ 4.5Å; F526-F534 HydrophobicContact CE1-CB 4.33Å; F526-F534 HydrophobicContact CZ-CB 4.22Å; N528-F534 PolarHBondContact ND2-N 2.82Å; A530-F534 HydrophobicContact CB-CD2 4.03Å; A530-F534 HydrophobicContact CB-CE2 3.6Å; Q532-F534 HydrophobicContact CB-CE1 4.03Å; Q532-F534 HydrophobicContact CB-CE2 3.95Å; Q532-F534 HydrophobicContact CB-CZ 3.67Å; Q532-F534 HydrophobicContact CG-CZ 4.32Å; Q532-F534 WeakPolarHBondContact O-CD2 3.41Å; F534-V562 WeakPolarHBondContact O-CG1 3.16Å; F534-A563 PolarHBondContact N-O 2.95Å; F534-A563 PolarHBondContact O-N 2.91Å; F534-D602 WeakPolarHBondContact CD1-OD1 3.5Å; F534-D602 HydrophobicContact CE1-CB 4.49Å; F534-D602 VanDerWaalsContact CE1-OD1 3.28Å; F534-D602 WeakPolarHBondContact CE1-OD1 3.21Å; F534-L607 HydrophobicContact CB-CD1 3.72Å; F534-L607 HydrophobicContact CD1-CD1 3.38Å; F534-L607 HydrophobicContact CD2-CD1 3.68Å; F534-L607 HydrophobicContact CE1-CD1 3.77Å; F534-L607 HydrophobicContact CE2-CD1 4.04Å; F534-L607 HydrophobicContact CG-CD1 3.32Å; F534-L607 HydrophobicContact CZ-CD1 4.07Å; F534-W645 AromaticContact CE1-CD1 3.82Å; F534-W645 AromaticContact CE1-NE1 3.83Å
535	S	97.3	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-176.1	179.9	70.2	0	0	0	0	112.1	Y487 G549 L561 Y571 S595 A596 A597	Y487-S535 PolarHBondContact OH-O 3.15Å; S535-G549 VanDerWaalsContact CB-O 3.23Å; S535-G549 WeakPolarHBondContact CB-O 3.48Å; S535-G549 PolarHBondContact OG-O 2.96Å; S535-L561 WeakPolarHBondContact CB-O 3.43Å; S535-Y571 VanDerWaalsContact CA-OH 3.26Å; S535-Y571 WeakPolarHBondContact CA-OH 3.41Å; S535-S595 PolarHBondContact N-OG 2.64Å; S535-S595 WeakPolarHBondContact O-CA 3.47Å; S535-S595 VanDerWaalsContact O-CB 3.23Å; S535-S595 WeakPolarHBondContact O-CB 3.47Å; S535-S595 PolarHBondContact O-OG 2.93Å; S535-A596 PolarHBondContact OG-N 2.95Å; S535-A597 PolarHBondContact OG-N 3.35Å
536	M	97.6	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.			trans	-134.1	107.3	168.3	-57.5	-171.3	74.9	0	0	109.9	I438 Y487 V524 F526 Y571 W573 Y593 F594	I438-M536 HydrophobicContact CD1-CE 3.98Å; I438-M536 HydrophobicContact CG2-CE 4.34Å; Y487-M536 HydrophobicContact CD1-CE 4.38Å; Y487-M536 HydrophobicContact CE1-CE 4.04Å; Y487-M536 HydrophobicContact CE1-CG 4.06Å; Y487-M536 HydrophobicContact CE1-SD 4.32Å; V524-M536 HydrophobicContact CG1-CE 4.22Å; V524-M536 HydrophobicContact CG1-SD 3.67Å; F526-M536 HydrophobicContact CB-CG 4.43Å; F526-M536 HydrophobicContact CB-SD 3.8Å; F526-M536 HydrophobicContact CD1-CG 4.15Å; F526-M536 HydrophobicContact CD1-SD 4.48Å; F526-M536 HydrophobicContact CD2-CG 4.09Å; F526-M536 HydrophobicContact CD2-SD 3.59Å; F526-M536 VanDerWaalsContact CD2-SD 3.59Å; F526-M536 HydrophobicContact CE1-CG 4.44Å; F526-M536 HydrophobicContact CE2-CG 4.4Å; F526-M536 HydrophobicContact CE2-SD 4.29Å; F526-M536 HydrophobicContact CG-CG 3.97Å; F526-M536 HydrophobicContact CG-SD 3.71Å; M536-Y571 HydrophobicContact CB-CD2 3.9Å; M536-Y571 HydrophobicContact CB-CE1 4.44Å; M536-Y571 HydrophobicContact CB-CE2 3.62Å; M536-Y571 HydrophobicContact CB-CG 4.44Å; M536-Y571 HydrophobicContact CG-CD2 4.2Å; M536-Y571 HydrophobicContact CG-CE2 3.73Å; M536-Y571 VanDerWaalsContact N-CZ 3.35Å; M536-Y571 PolarHBondContact N-OH 2.97Å; M536-Y571 VanDerWaalsContact N-OH 3.11Å; M536-Y571 WeakPolarHBondContact O-CE1 3.43Å; M536-Y571 HydrophobicContact SD-CD2 4.28Å; M536-Y571 HydrophobicContact SD-CE2 4.26Å; M536-W573 HydrophobicContact CB-CH2 4.27Å; M536-W573 HydrophobicContact CB-CZ2 4.05Å; M536-Y593 HydrophobicContact CE-CD2 3.32Å; M536-Y593 HydrophobicContact CE-CE2 3.29Å; M536-Y593 HydrophobicContact CE-CG 4.26Å; M536-F594 CarbonylContact C-O 3.47Å; M536-F594 WeakPolarHBondContact CA-O 3.28Å
537	Q	97.4	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.7	173.7	176.4	56.3	41.5	0	0	109.4	Y543 T550 Y593 F594 A596	Q537-Y543 PolarHBondContact NE2-OH 2.94Å; Q537-T550 WeakPolarHBondContact CG-OG1 3.04Å; Q537-T550 PolarHBondContact OE1-OG1 2.88Å; Q537-Y593 CarbonylContact O-C 3.45Å; Q537-Y593 VanDerWaalsContact O-CA 3.22Å; Q537-Y593 WeakPolarHBondContact O-CA 3.38Å; Q537-F594 HydrophobicContact CB-CD1 4.47Å; Q537-F594 HydrophobicContact CB-CE1 4.07Å; Q537-F594 HydrophobicContact CB-CE2 4.3Å; Q537-F594 HydrophobicContact CB-CZ 3.97Å; Q537-F594 HydrophobicContact CG-CE1 3.72Å; Q537-F594 HydrophobicContact CG-CE2 4.29Å; Q537-F594 HydrophobicContact CG-CZ 3.55Å; Q537-F594 PolarHBondContact N-O 3.37Å; Q537-F594 WeakPolarHBondContact O-CD1 3.48Å; Q537-F594 PolarHBondContact O-N 3.13Å; Q537-A596 HydrophobicContact CB-CB 3.69Å; Q537-A596 HydrophobicContact CG-CB 4.29Å
538	P	97	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	158.8	176.8	39.3	-38.7	0	0	0	112.9	V541 Y543 W573 L611	P538-V541 HydrophobicContact CB-CG2 3.56Å; P538-V541 HydrophobicContact CG-CG2 3.45Å; P538-V541 VanDerWaalsContact CG-CG2 3.45Å; P538-Y543 HydrophobicContact CG-CD1 4.05Å; P538-Y543 HydrophobicContact CG-CE1 4.17Å; P538-W573 HydrophobicContact CB-CD2 4.08Å; P538-W573 HydrophobicContact CB-CE3 4.04Å; P538-W573 HydrophobicContact CB-CH2 4.14Å; P538-W573 HydrophobicContact CB-CZ2 4.16Å; P538-W573 HydrophobicContact CB-CZ3 4.07Å; P538-W573 HydrophobicContact CG-CD2 3.75Å; P538-W573 HydrophobicContact CG-CE3 4.24Å; P538-W573 HydrophobicContact CG-CG 4.05Å; P538-W573 HydrophobicContact CG-CH2 4.48Å; P538-W573 HydrophobicContact CG-CZ2 4.01Å; P538-L611 HydrophobicContact CB-CD1 4.18Å
539	H	96.4	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-98	159.6	156.1	-78.5	-95.8	0	0	0	110.7	F361 D375 V541 W591 M592 F594 H734	F361-H539 AromaticContact CD2-CE1 3.59Å; F361-H539 AromaticContact CD2-ND1 3.83Å; F361-H539 AromaticContact CE2-CE1 3.6Å; F361-H539 AromaticContact CE2-ND1 3.53Å; F361-H539 AromaticContact CG-CE1 3.86Å; F361-H539 AromaticContact CZ-CE1 3.82Å; F361-H539 AromaticContact CZ-ND1 3.97Å; D375-H539 VanDerWaalsContact CG-ND1 3.31Å; D375-H539 IonicContact OD1-CE1 3.43Å; D375-H539 IonicContact OD1-CG 3.36Å; D375-H539 IonicContact OD1-ND1 2.67Å; D375-H539 PolarHBondContact OD1-ND1 2.98Å; D375-H539 WeakPolarHBondContact OD2-CA 3.27Å; D375-H539 VanDerWaalsContact OD2-CB 3.25Å; D375-H539 WeakPolarHBondContact OD2-CB 3.38Å; D375-H539 IonicContact OD2-CG 3.52Å; D375-H539 IonicContact OD2-ND1 2.74Å; D375-H539 PolarHBondContact OD2-ND1 2.82Å; D375-H539 VanDerWaalsContact OD2-ND1 3.1Å; H539-V541 PolarHBondContact O-N 3.14Å; H539-W591 HydrophobicContact CB-CB 4.08Å; H539-W591 HydrophobicContact CB-CE3 4.11Å; H539-M592 PolarHBondContact N-O 3.26Å; H539-M592 WeakPolarHBondContact NE2-CE 3.41Å; H539-F594 AromaticContact CD2-CE1 3.65Å; H539-F594 AromaticContact NE2-CE1 3.52Å; H539-H734 AromaticContact CE1-ND1 3.73Å; H539-H734 AromaticContact NE2-CG 3.89Å; H539-H734 AromaticContact NE2-ND1 3.01Å; H539-H734 PolarHBondContact NE2-ND1 2.9Å
540	G	93.1	Very high	94.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	76.1	8.1	165.6	0	0	0	0	0	117.2	D375 W591	D375-G540 PolarHBondContact OD2-N 3.43Å; G540-W591 VanDerWaalsContact CA-CE3 3.47Å
541	V	94.6	Very high	94.7	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.048	15%	0.152	C	C	.	.	S	Bend	trans	-142	152.5	-173.6	-59.6	0	0	0	0	112.1	I522 P538 H539 Y543 W573 V575 L611 V613	I522-V541 HydrophobicContact CD1-CG1 4.14Å; P538-V541 HydrophobicContact CB-CG2 3.56Å; P538-V541 HydrophobicContact CG-CG2 3.45Å; P538-V541 VanDerWaalsContact CG-CG2 3.45Å; H539-V541 PolarHBondContact O-N 3.14Å; V541-Y543 WeakPolarHBondContact O-CD1 3.34Å; V541-W573 HydrophobicContact CB-CB 4.26Å; V541-W573 HydrophobicContact CG2-CB 3.75Å; V541-W573 HydrophobicContact CG2-CD2 4.36Å; V541-W573 HydrophobicContact CG2-CE3 4.46Å; V541-W573 HydrophobicContact CG2-CG 4.08Å; V541-V575 HydrophobicContact CG1-CG2 4.09Å; V541-L611 HydrophobicContact CG1-CD2 4.03Å; V541-V613 HydrophobicContact CG1-CG2 3.93Å
542	F	94.2	Very high	94.6	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.022	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-94.7	140.5	-179.1	-77.7	-100.1	0	0	0	111.8	M366 W392 W573 T574 P576 H578 A579	M366-F542 HydrophobicContact CB-CE2 3.92Å; M366-F542 HydrophobicContact CB-CZ 3.86Å; W392-F542 HydrophobicContact CB-CD1 4.42Å; W392-F542 HydrophobicContact CB-CE1 4.13Å; W392-F542 AromaticContact CD1-CE1 3.94Å; W392-F542 HydrophobicContact CG-CE1 4.34Å; F542-W573 CarbonylContact O-C 3.49Å; F542-T574 PolarHBondContact N-O 2.95Å; F542-T574 PolarHBondContact O-N 2.75Å; F542-T574 PolarHBondContact O-OG1 3.48Å; F542-P576 HydrophobicContact CB-CG 4.32Å; F542-P576 HydrophobicContact CD2-CG 3.8Å; F542-P576 HydrophobicContact CE2-CG 4.41Å; F542-P576 HydrophobicContact CG-CG 4.15Å; F542-H578 AromaticContact CE2-CD2 3.76Å; F542-H578 AromaticContact CE2-NE2 3.76Å; F542-H578 AromaticContact CZ-CD2 3.86Å; F542-H578 AromaticContact CZ-NE2 3.75Å; F542-A579 HydrophobicContact CD2-CB 3.68Å; F542-A579 HydrophobicContact CE2-CB 3.7Å
543	Y	93.6	Very high	94.3	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.027	14%	0.135	C	C	.	.			trans	-148.3	147.1	-177	55.2	-94.1	0	0	0	111.9	G364 W397 Q537 P538 V541 E548	G364-Y543 PolarHBondContact N-OH 3.21Å; G364-Y543 VanDerWaalsContact N-OH 3.1Å; W397-Y543 HydrophobicContact CH2-CD2 4.34Å; W397-Y543 HydrophobicContact CH2-CE2 4.02Å; W397-Y543 HydrophobicContact CZ3-CD2 4.42Å; W397-Y543 AromaticContact CZ3-CE2 3.66Å; W397-Y543 HydrophobicContact CZ3-CE2 3.66Å; Q537-Y543 PolarHBondContact NE2-OH 2.94Å; P538-Y543 HydrophobicContact CG-CD1 4.05Å; P538-Y543 HydrophobicContact CG-CE1 4.17Å; V541-Y543 WeakPolarHBondContact O-CD1 3.34Å; Y543-E548 HydrophobicContact CD2-CB 4.02Å; Y543-E548 HydrophobicContact CE2-CB 3.61Å; Y543-E548 HydrophobicContact CE2-CG 3.62Å
544	E	91.3	Very high	93.8	Very high	103 Å²	103	24.8 Å²	24.8	48%	0.481	13%	0.125	S	C	.	.			trans	-75.4	158.6	172.8	-60.3	169.6	-133.3	0	0	110.2	D546 Y547 E548	E544-D546 VanDerWaalsContact C-N 3.27Å; E544-D546 PolarHBondContact O-N 3.05Å; E544-Y547 HydrophobicContact CB-CD2 4.02Å; E544-Y547 HydrophobicContact CB-CE2 4.44Å; E544-Y547 PolarHBondContact O-N 2.76Å; E544-E548 PolarHBondContact O-N 2.95Å
545	K	90.5	Very high	93	Very high	40 Å²	40	28 Å²	28	17%	0.174	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57	-35.6	-177.5	-76.1	-55.2	-160	-178.7	0	114.7	T396 W397 Y547 E548 Y552	T396-K545 WeakPolarHBondContact O-CE 3.26Å; T396-K545 PolarHBondContact O-NZ 3.05Å; W397-K545 HydrophobicContact CE3-CD 4.47Å; W397-K545 HydrophobicContact CH2-CD 3.74Å; W397-K545 HydrophobicContact CH2-CG 4.46Å; W397-K545 HydrophobicContact CZ2-CD 4.02Å; W397-K545 HydrophobicContact CZ2-CG 4.44Å; W397-K545 HydrophobicContact CZ3-CD 3.98Å; W397-K545 VanDerWaalsContact CZ3-NZ 3.26Å; K545-Y547 PolarHBondContact O-N 3.08Å; K545-E548 VanDerWaalsContact CD-OE2 3.26Å; K545-E548 WeakPolarHBondContact CD-OE2 3.4Å; K545-E548 IonicContact NZ-OE1 2.73Å; K545-E548 PolarHBondContact NZ-OE1 2.74Å; K545-E548 IonicContact NZ-OE2 3.79Å; K545-E548 PolarHBondContact NZ-OE2 2.89Å; K545-E548 PolarHBondContact O-N 3.45Å; K545-Y552 PolarHBondContact NZ-OH 2.83Å
546	D	90.6	Very high	92	Very high	131 Å²	131	30.9 Å²	30.9	70%	0.701	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-63.3	-8	175.7	-69.7	10.8	0	0	0	113.4	E544	E544-D546 VanDerWaalsContact C-N 3.27Å; E544-D546 PolarHBondContact O-N 3.05Å
547	Y	94	Very high	90.3	Very high	62 Å²	62	35.7 Å²	35.7	24%	0.243	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-122.9	9.9	179.2	-53.5	-60.8	0	0	0	114.3	E544 K545 L561 R572	E544-Y547 HydrophobicContact CB-CD2 4.02Å; E544-Y547 HydrophobicContact CB-CE2 4.44Å; E544-Y547 PolarHBondContact O-N 2.76Å; K545-Y547 PolarHBondContact O-N 3.08Å; Y547-L561 HydrophobicContact CD1-CD2 4.22Å; Y547-R572 HydrophobicContact CD1-CB 4.08Å; Y547-R572 HydrophobicContact CD2-CB 3.86Å; Y547-R572 HydrophobicContact CE1-CB 3.97Å; Y547-R572 HydrophobicContact CE2-CB 3.76Å; Y547-R572 HydrophobicContact CE2-CG 4.35Å; Y547-R572 HydrophobicContact CG-CB 4.03Å
548	E	94.8	Very high	88.6	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.028	25%	0.246	C	C	.	.			trans	-71	135.1	175.2	-174.7	161.1	-136	0	0	111.1	W397 Y543 E544 K545 Y552 L561	W397-E548 WeakPolarHBondContact CZ3-OE1 3.36Å; Y543-E548 HydrophobicContact CD2-CB 4.02Å; Y543-E548 HydrophobicContact CE2-CB 3.61Å; Y543-E548 HydrophobicContact CE2-CG 3.62Å; E544-E548 PolarHBondContact O-N 2.95Å; K545-E548 VanDerWaalsContact CD-OE2 3.26Å; K545-E548 WeakPolarHBondContact CD-OE2 3.4Å; K545-E548 IonicContact NZ-OE1 2.73Å; K545-E548 PolarHBondContact NZ-OE1 2.74Å; K545-E548 IonicContact NZ-OE2 3.79Å; K545-E548 PolarHBondContact NZ-OE2 2.89Å; K545-E548 PolarHBondContact O-N 3.45Å; E548-Y552 VanDerWaalsContact CD-OH 3.27Å; E548-Y552 HydrophobicContact CG-CE1 4.47Å; E548-Y552 WeakPolarHBondContact OE1-CE1 3.49Å; E548-Y552 PolarHBondContact OE1-OH 2.9Å; E548-Y552 PolarHBondContact OE2-OH 2.87Å; E548-L561 PolarHBondContact O-N 3.47Å
549	G	94.8	Very high	87.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.			trans	-88.1	-20.8	-177.7	0	0	0	0	0	114.4	S535	S535-G549 VanDerWaalsContact CB-O 3.23Å; S535-G549 WeakPolarHBondContact CB-O 3.48Å; S535-G549 PolarHBondContact OG-O 2.96Å
550	T	94.4	Very high	86.6	Confident	4 Å²	4	47 Å²	47	3%	0.025	28%	0.275	C	S	.	.	S	Bend	trans	-83.5	136.3	-177.7	-44.2	0	0	0	0	111.9	H363 L398 Q537 Y552 A596	H363-T550 PolarHBondContact CE1-OG1 2.93Å; H363-T550 PolarHBondContact ND1-OG1 3.06Å; L398-T550 HydrophobicContact CD2-CG2 4.19Å; Q537-T550 WeakPolarHBondContact CG-OG1 3.04Å; Q537-T550 PolarHBondContact OE1-OG1 2.88Å; T550-Y552 HydrophobicContact CG2-CD1 3.86Å; T550-Y552 HydrophobicContact CG2-CE1 4.23Å; T550-A596 HydrophobicContact CG2-CB 4.35Å
551	V	91.8	Very high	86.6	Confident	68 Å²	68	48.9 Å²	48.9	41%	0.412	29%	0.285	S	S	.	.			trans	-93.8	113.3	175.6	-178.5	0	0	0	0	111.1	P559 V562 A596	V551-P559 HydrophobicContact CG1-CB 4.46Å; V551-V562 HydrophobicContact CG2-CG2 3.41Å; V551-V562 VanDerWaalsContact CG2-CG2 3.41Å; V551-A596 PolarHBondContact N-O 3.4Å
552	Y	92.6	Very high	86.6	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.027	29%	0.292	C	S	.	.			trans	-153.5	160.8	170.9	58.9	-83.5	0	0	0	112.8	L398 L414 K545 E548 T550 D554 P559	L398-Y552 HydrophobicContact CB-CD1 4.22Å; L398-Y552 HydrophobicContact CB-CD2 4.17Å; L398-Y552 HydrophobicContact CB-CE1 3.81Å; L398-Y552 HydrophobicContact CB-CE2 3.75Å; L398-Y552 HydrophobicContact CB-CG 4.38Å; L398-Y552 HydrophobicContact CD2-CD1 3.97Å; L398-Y552 HydrophobicContact CD2-CE1 4.21Å; L398-Y552 HydrophobicContact CD2-CG 4.29Å; L398-Y552 PolarHBondContact N-OH 2.96Å; L398-Y552 VanDerWaalsContact N-OH 3.15Å; L414-Y552 HydrophobicContact CD2-CD2 3.89Å; L414-Y552 HydrophobicContact CD2-CE2 4.04Å; K545-Y552 PolarHBondContact NZ-OH 2.83Å; E548-Y552 VanDerWaalsContact CD-OH 3.27Å; E548-Y552 HydrophobicContact CG-CE1 4.47Å; E548-Y552 WeakPolarHBondContact OE1-CE1 3.49Å; E548-Y552 PolarHBondContact OE1-OH 2.9Å; E548-Y552 PolarHBondContact OE2-OH 2.87Å; T550-Y552 HydrophobicContact CG2-CD1 3.86Å; T550-Y552 HydrophobicContact CG2-CE1 4.23Å; Y552-D554 VanDerWaalsContact C-N 3.33Å; Y552-D554 HydrophobicContact CD2-CB 4.18Å; Y552-D554 HydrophobicContact CE2-CB 3.98Å; Y552-D554 PolarHBondContact O-N 2.68Å; Y552-P559 WeakPolarHBondContact O-CB 3.38Å
553	N	90.2	Very high	86.7	Confident	53 Å²	53	49.9 Å²	49.9	28%	0.283	29%	0.291	S	S	.	.			trans	-73.3	79.7	176.9	175.5	46.6	0	0	0	111.9	V100 I101 N103 G555	V100-N553 WeakPolarHBondContact O-CB 3.36Å; V100-N553 PolarHBondContact O-ND2 2.86Å; I101-N553 WeakPolarHBondContact O-CB 3.41Å; I101-N553 PolarHBondContact O-N 3.35Å; N103-N553 HydrophobicContact CB-CB 4.23Å; N553-G555 VanDerWaalsContact C-N 3.31Å
554	D	85.3	Confident	86.8	Confident	25 Å²	25	55 Å²	55	13%	0.134	31%	0.314	C	S	.	.	S	Bend	trans	-77.6	-16.4	173.7	78.6	-41.9	0	0	0	113.3	T396 Y552 S556	T396-D554 WeakPolarHBondContact CB-O 3.47Å; T396-D554 PolarHBondContact OG1-O 3.38Å; Y552-D554 VanDerWaalsContact C-N 3.33Å; Y552-D554 HydrophobicContact CD2-CB 4.18Å; Y552-D554 HydrophobicContact CE2-CB 3.98Å; Y552-D554 PolarHBondContact O-N 2.68Å; D554-S556 WeakPolarHBondContact OD1-CB 3.35Å; D554-S556 PolarHBondContact OD1-N 2.62Å; D554-S556 PolarHBondContact OD1-OG 2.8Å; D554-S556 WeakPolarHBondContact OD2-CB 3.34Å; D554-S556 PolarHBondContact OD2-OG 2.95Å
555	G	80.6	Confident	87.1	Confident	66 Å²	66	52.5 Å²	52.5	68%	0.68	31%	0.307	S	S	*	.	S	Bend	trans	100.3	4.6	-175.1	0	0	0	0	0	114.8	N553	N553-G555 VanDerWaalsContact C-N 3.31Å
556	S	77.1	Confident	87.3	Confident	61 Å²	61	57.3 Å²	57.3	43%	0.427	33%	0.328	S	S	.	.	S	Bend	trans	-79.7	-179	173.8	74	0	0	0	0	112.9	D554 H558	D554-S556 WeakPolarHBondContact OD1-CB 3.35Å; D554-S556 PolarHBondContact OD1-N 2.62Å; D554-S556 PolarHBondContact OD1-OG 2.8Å; D554-S556 WeakPolarHBondContact OD2-CB 3.34Å; D554-S556 PolarHBondContact OD2-OG 2.95Å; S556-H558 PolarHBondContact OG-N 2.93Å; S556-H558 PolarHBondContact OG-O 2.92Å
557	S	62.5	Low	87.5	Confident	101 Å²	101	54.2 Å²	54.2	71%	0.706	31%	0.309	S	S	*	.	S	Bend	trans	-93.5	-6.6	171.5	53.7	0	0	0	0	114.5
558	H	61.8	Low	87.6	Confident	156 Å²	156	55.4 Å²	55.4	72%	0.722	32%	0.315	S	S	*	.	S	Bend	trans	-143.7	84.2	-177.6	-60.6	114	0	0	0	109.6	S556 G560	S556-H558 PolarHBondContact OG-N 2.93Å; S556-H558 PolarHBondContact OG-O 2.92Å; H558-G560 PolarHBondContact O-N 3.25Å
559	P	71.1	Confident	87.7	Confident	59 Å²	59	55.9 Å²	55.9	38%	0.383	32%	0.318	S	S	.	.			trans	-72.8	99.3	-176.4	29.2	-34.9	0	0	0	111.4	V551 Y552	V551-P559 HydrophobicContact CG1-CB 4.46Å; Y552-P559 WeakPolarHBondContact O-CB 3.38Å
560	G	80.8	Confident	87.8	Confident	24 Å²	24	58.5 Å²	58.5	25%	0.247	34%	0.335	C	S	.	.	S	Bend	trans	80.4	151.5	177	0	0	0	0	0	115	H558	H558-G560 PolarHBondContact O-N 3.25Å
561	L	92.4	Very high	87.9	Confident	40 Å²	40	58.3 Å²	58.3	21%	0.209	33%	0.333	C	S	.	.			trans	-93.6	100.7	175.8	-179.7	58.8	0	0	0	110	S535 Y547 E548 V569 Y571	S535-L561 WeakPolarHBondContact CB-O 3.43Å; Y547-L561 HydrophobicContact CD1-CD2 4.22Å; E548-L561 PolarHBondContact O-N 3.47Å; L561-V569 HydrophobicContact CD1-CB 4.07Å; L561-V569 HydrophobicContact CD1-CG1 4Å; L561-V569 HydrophobicContact CD2-CB 4.48Å; L561-V569 HydrophobicContact CG-CB 4.29Å; L561-V569 HydrophobicContact CG-CG2 4.49Å; L561-Y571 HydrophobicContact CB-CE1 3.88Å; L561-Y571 HydrophobicContact CD2-CD1 3.77Å; L561-Y571 HydrophobicContact CD2-CE1 3.69Å; L561-Y571 HydrophobicContact CD2-CG 4.39Å; L561-Y571 HydrophobicContact CG-CD1 4.34Å; L561-Y571 HydrophobicContact CG-CE1 3.75Å; L561-Y571 WeakPolarHBondContact O-CE1 3.46Å; L561-Y571 PolarHBondContact O-OH 3.42Å
562	V	94.9	Very high	88.1	Confident	34 Å²	34	60.2 Å²	60.2	21%	0.206	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	-179.9	-172.6	0	0	0	0	110.4	P533 F534 V551 A597	P533-V562 HydrophobicContact CB-CG1 3.99Å; F534-V562 WeakPolarHBondContact O-CG1 3.16Å; V551-V562 HydrophobicContact CG2-CG2 3.41Å; V551-V562 VanDerWaalsContact CG2-CG2 3.41Å; V562-A597 HydrophobicContact CG1-CB 3.87Å; V562-A597 HydrophobicContact CG2-CB 4.4Å
563	A	96.1	Very high	88.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122	173.3	0	0	0	0	0	110.8	F526 N528 P533 F534 V569	F526-A563 HydrophobicContact CD1-CB 3.81Å; F526-A563 HydrophobicContact CE1-CB 3.84Å; N528-A563 HydrophobicContact CB-CB 3.75Å; N528-A563 PolarHBondContact ND2-O 2.92Å; P533-A563 WeakPolarHBondContact CA-O 3.33Å; F534-A563 PolarHBondContact N-O 2.95Å; F534-A563 PolarHBondContact O-N 2.91Å; A563-V569 HydrophobicContact CB-CB 4.49Å; A563-V569 HydrophobicContact CB-CG1 3.82Å; A563-V569 HydrophobicContact CB-CG2 3.91Å
564	K	96	Very high	88.5	Confident	116 Å²	116	58.6 Å²	58.6	50%	0.504	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70.7	164.1	171.4	-61.2	171.5	-146.4	74	0	110.7	F566 E567	K564-F566 PolarHBondContact O-N 2.88Å; K564-E567 HydrophobicContact CB-CB 4.16Å; K564-E567 VanDerWaalsContact CB-OE2 3.26Å; K564-E567 WeakPolarHBondContact CB-OE2 3.49Å; K564-E567 VanDerWaalsContact CG-OE2 3.22Å; K564-E567 WeakPolarHBondContact CG-OE2 3.36Å; K564-E567 PolarHBondContact N-OE2 2.85Å; K564-E567 IonicContact NZ-OE1 3.57Å; K564-E567 PolarHBondContact NZ-OE1 3.09Å; K564-E567 IonicContact NZ-OE2 3.8Å; K564-E567 PolarHBondContact NZ-OE2 2.9Å; K564-E567 WeakPolarHBondContact O-CB 3.23Å; K564-E567 PolarHBondContact O-N 2.85Å
565	P	96.6	Very high	89	Confident	50 Å²	50	57.4 Å²	57.4	33%	0.325	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	125.1	170.9	-31.6	38.6	0	0	0	112.6	A530 S531 E567	A530-P565 WeakPolarHBondContact O-CB 3.36Å; S531-P565 VanDerWaalsContact O-CG 3.26Å; S531-P565 WeakPolarHBondContact O-CG 3.09Å; P565-E567 VanDerWaalsContact C-N 3.29Å; P565-E567 PolarHBondContact O-N 2.87Å
566	F	94.8	Very high	89.5	Confident	140 Å²	140	55 Å²	55	61%	0.614	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	17.8	-175.6	-44.5	-71.9	0	0	0	115.9	N528 R529 K564	N528-F566 WeakPolarHBondContact O-CA 3.48Å; N528-F566 PolarHBondContact O-N 3.41Å; R529-F566 HydrophobicContact CG-CD1 4.32Å; R529-F566 HydrophobicContact CG-CE1 4.08Å; K564-F566 PolarHBondContact O-N 2.88Å
567	E	96	Very high	90	Very high	66 Å²	66	55.8 Å²	55.8	31%	0.308	30%	0.296	S	S	.	.			trans	-94.8	145.8	173.6	-163.7	165.5	-135.3	0	0	111.4	N528 K564 P565	N528-E567 PolarHBondContact N-O 3.38Å; N528-E567 VanDerWaalsContact N-O 3.08Å; K564-E567 HydrophobicContact CB-CB 4.16Å; K564-E567 VanDerWaalsContact CB-OE2 3.26Å; K564-E567 WeakPolarHBondContact CB-OE2 3.49Å; K564-E567 VanDerWaalsContact CG-OE2 3.22Å; K564-E567 WeakPolarHBondContact CG-OE2 3.36Å; K564-E567 PolarHBondContact N-OE2 2.85Å; K564-E567 IonicContact NZ-OE1 3.57Å; K564-E567 PolarHBondContact NZ-OE1 3.09Å; K564-E567 IonicContact NZ-OE2 3.8Å; K564-E567 PolarHBondContact NZ-OE2 2.9Å; K564-E567 WeakPolarHBondContact O-CB 3.23Å; K564-E567 PolarHBondContact O-N 2.85Å; P565-E567 VanDerWaalsContact C-N 3.29Å; P565-E567 PolarHBondContact O-N 2.87Å
568	K	95.4	Very high	91.1	Very high	88 Å²	88	53.5 Å²	53.5	38%	0.383	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.1	167.3	-71.2	-168.1	-175.9	-173.8	0	109.7	E493 F495 F526 Y527	E493-K568 PolarHBondContact O-NZ 2.86Å; E493-K568 IonicContact OE1-NZ 3.72Å; E493-K568 PolarHBondContact OE1-NZ 3.39Å; F495-K568 HydrophobicContact CE2-CD 4.3Å; F526-K568 WeakPolarHBondContact O-CA 3.4Å; Y527-K568 HydrophobicContact CD2-CG 3.61Å; Y527-K568 HydrophobicContact CE2-CG 4.44Å; Y527-K568 HydrophobicContact CG-CG 4.1Å
569	V	96.4	Very high	92.2	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	171.6	170.7	-58.4	0	0	0	0	110.2	F526 L561 A563 Y571	F526-V569 HydrophobicContact CB-CG2 3.93Å; F526-V569 HydrophobicContact CD1-CG2 3.9Å; F526-V569 HydrophobicContact CG-CG2 4.42Å; F526-V569 PolarHBondContact N-O 2.93Å; F526-V569 PolarHBondContact O-N 3.2Å; L561-V569 HydrophobicContact CD1-CB 4.07Å; L561-V569 HydrophobicContact CD1-CG1 4Å; L561-V569 HydrophobicContact CD2-CB 4.48Å; L561-V569 HydrophobicContact CG-CB 4.29Å; L561-V569 HydrophobicContact CG-CG2 4.49Å; A563-V569 HydrophobicContact CB-CB 4.49Å; A563-V569 HydrophobicContact CB-CG1 3.82Å; A563-V569 HydrophobicContact CB-CG2 3.91Å; V569-Y571 HydrophobicContact CG2-CD2 4.26Å; V569-Y571 HydrophobicContact CG2-CE2 3.52Å
570	T	96.8	Very high	93	Very high	55 Å²	55	43.5 Å²	43.5	34%	0.337	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	111	177.6	-62.4	0	0	0	0	110.3	Q523 V524 V525	Q523-T570 HydrophobicContact CG-CG2 3.76Å; V524-T570 CarbonylContact O-C 3.58Å; V524-T570 WeakPolarHBondContact O-CA 3.48Å; V525-T570 HydrophobicContact CG2-CG2 4.28Å
571	Y	97.4	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.9	173.2	-60.6	-82.6	0	0	0	110.4	Q523 V524 F526 S535 M536 L561 V569 W573	Q523-Y571 WeakPolarHBondContact CA-O 3.41Å; V524-Y571 PolarHBondContact N-O 3.03Å; V524-Y571 PolarHBondContact O-N 2.86Å; F526-Y571 HydrophobicContact CB-CD2 4.08Å; F526-Y571 HydrophobicContact CB-CE2 3.76Å; F526-Y571 AromaticContact CD1-CE2 3.99Å; F526-Y571 HydrophobicContact CD1-CE2 3.99Å; F526-Y571 HydrophobicContact CG-CE2 4.18Å; S535-Y571 VanDerWaalsContact CA-OH 3.26Å; S535-Y571 WeakPolarHBondContact CA-OH 3.41Å; M536-Y571 HydrophobicContact CB-CD2 3.9Å; M536-Y571 HydrophobicContact CB-CE1 4.44Å; M536-Y571 HydrophobicContact CB-CE2 3.62Å; M536-Y571 HydrophobicContact CB-CG 4.44Å; M536-Y571 HydrophobicContact CG-CD2 4.2Å; M536-Y571 HydrophobicContact CG-CE2 3.73Å; M536-Y571 VanDerWaalsContact N-CZ 3.35Å; M536-Y571 PolarHBondContact N-OH 2.97Å; M536-Y571 VanDerWaalsContact N-OH 3.11Å; M536-Y571 WeakPolarHBondContact O-CE1 3.43Å; M536-Y571 HydrophobicContact SD-CD2 4.28Å; M536-Y571 HydrophobicContact SD-CE2 4.26Å; L561-Y571 HydrophobicContact CB-CE1 3.88Å; L561-Y571 HydrophobicContact CD2-CD1 3.77Å; L561-Y571 HydrophobicContact CD2-CE1 3.69Å; L561-Y571 HydrophobicContact CD2-CG 4.39Å; L561-Y571 HydrophobicContact CG-CD1 4.34Å; L561-Y571 HydrophobicContact CG-CE1 3.75Å; L561-Y571 WeakPolarHBondContact O-CE1 3.46Å; L561-Y571 PolarHBondContact O-OH 3.42Å; V569-Y571 HydrophobicContact CG2-CD2 4.26Å; V569-Y571 HydrophobicContact CG2-CE2 3.52Å; Y571-W573 HydrophobicContact CD1-CZ2 4.45Å; Y571-W573 HydrophobicContact CG-CZ2 4.07Å
572	R	96.4	Very high	93.5	Very high	108 Å²	108	42.4 Å²	42.4	41%	0.408	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	118	171.8	177.1	-176.9	173.5	155.5	-0.6	109	T521 I522 Y547	T521-R572 HydrophobicContact CG2-CG 3.97Å; I522-R572 WeakPolarHBondContact O-CA 3.38Å; Y547-R572 HydrophobicContact CD1-CB 4.08Å; Y547-R572 HydrophobicContact CD2-CB 3.86Å; Y547-R572 HydrophobicContact CE1-CB 3.97Å; Y547-R572 HydrophobicContact CE2-CB 3.76Å; Y547-R572 HydrophobicContact CE2-CG 4.35Å; Y547-R572 HydrophobicContact CG-CB 4.03Å
573	W	96.3	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.3	177.1	-43	-42.6	0	0	0	109.8	I514 T521 I522 V524 M536 P538 V541 F542 Y571 L611	I514-W573 HydrophobicContact CD1-CH2 4.35Å; I514-W573 HydrophobicContact CD1-CZ3 3.88Å; T521-W573 CarbonylContact C-O 3.55Å; I522-W573 HydrophobicContact CB-CB 4.31Å; I522-W573 HydrophobicContact CB-CE3 4.19Å; I522-W573 HydrophobicContact CD1-CE3 4.24Å; I522-W573 HydrophobicContact CG2-CE3 3.85Å; I522-W573 HydrophobicContact CG2-CZ3 4.3Å; I522-W573 PolarHBondContact N-O 3.15Å; I522-W573 PolarHBondContact O-N 3.35Å; V524-W573 HydrophobicContact CG2-CE3 4.37Å; V524-W573 HydrophobicContact CG2-CH2 4Å; V524-W573 HydrophobicContact CG2-CZ3 3.83Å; M536-W573 HydrophobicContact CB-CH2 4.27Å; M536-W573 HydrophobicContact CB-CZ2 4.05Å; P538-W573 HydrophobicContact CB-CD2 4.08Å; P538-W573 HydrophobicContact CB-CE3 4.04Å; P538-W573 HydrophobicContact CB-CH2 4.14Å; P538-W573 HydrophobicContact CB-CZ2 4.16Å; P538-W573 HydrophobicContact CB-CZ3 4.07Å; P538-W573 HydrophobicContact CG-CD2 3.75Å; P538-W573 HydrophobicContact CG-CE3 4.24Å; P538-W573 HydrophobicContact CG-CG 4.05Å; P538-W573 HydrophobicContact CG-CH2 4.48Å; P538-W573 HydrophobicContact CG-CZ2 4.01Å; V541-W573 HydrophobicContact CB-CB 4.26Å; V541-W573 HydrophobicContact CG2-CB 3.75Å; V541-W573 HydrophobicContact CG2-CD2 4.36Å; V541-W573 HydrophobicContact CG2-CE3 4.46Å; V541-W573 HydrophobicContact CG2-CG 4.08Å; F542-W573 CarbonylContact O-C 3.49Å; Y571-W573 HydrophobicContact CD1-CZ2 4.45Å; Y571-W573 HydrophobicContact CG-CZ2 4.07Å; W573-L611 HydrophobicContact CE3-CD1 4.29Å; W573-L611 HydrophobicContact CZ3-CD1 4.07Å
574	T	95.1	Very high	92.7	Very high	27 Å²	27	50.1 Å²	50.1	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.9	-172.9	60.7	0	0	0	0	111.3	L429 T521 F542 P576	L429-T574 HydrophobicContact CD1-CG2 3.66Å; T521-T574 HydrophobicContact CG2-CG2 4.41Å; F542-T574 PolarHBondContact N-O 2.95Å; F542-T574 PolarHBondContact O-N 2.75Å; F542-T574 PolarHBondContact O-OG1 3.48Å; T574-P576 VanDerWaalsContact C-CD 3.41Å; T574-P576 VanDerWaalsContact O-CD 3.27Å; T574-P576 WeakPolarHBondContact O-CD 3.4Å
575	V	94.4	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.			trans	-115.4	77.5	174.3	-171.1	0	0	0	0	108.9	A516 V518 G519 D520 I522 V541 A579 V613	A516-V575 HydrophobicContact CB-CG2 3.74Å; V518-V575 HydrophobicContact CG2-CG1 4.27Å; G519-V575 WeakPolarHBondContact CA-O 3.29Å; G519-V575 PolarHBondContact N-O 3.3Å; D520-V575 PolarHBondContact O-N 2.66Å; D520-V575 VanDerWaalsContact O-N 3.08Å; I522-V575 HydrophobicContact CD1-CG2 4.47Å; V541-V575 HydrophobicContact CG1-CG2 4.09Å; V575-A579 HydrophobicContact CG1-CB 4.49Å; V575-V613 HydrophobicContact CG1-CG1 3.51Å; V575-V613 HydrophobicContact CG2-CG2 4.5Å
576	P	91.4	Very high	92.1	Very high	15 Å²	15	44.5 Å²	44.5	10%	0.097	24%	0.241	C	C	.	.			trans	-65.2	164.2	176.6	28.4	-35.8	0	0	0	111.9	L429 F542 T574 H578 A579	L429-P576 HydrophobicContact CD2-CB 4.43Å; F542-P576 HydrophobicContact CB-CG 4.32Å; F542-P576 HydrophobicContact CD2-CG 3.8Å; F542-P576 HydrophobicContact CE2-CG 4.41Å; F542-P576 HydrophobicContact CG-CG 4.15Å; T574-P576 VanDerWaalsContact C-CD 3.41Å; T574-P576 VanDerWaalsContact O-CD 3.27Å; T574-P576 WeakPolarHBondContact O-CD 3.4Å; P576-H578 WeakPolarHBondContact CG-NE2 3.07Å; P576-H578 PolarHBondContact O-N 3.41Å; P576-A579 HydrophobicContact CG-CB 3.86Å; P576-A579 PolarHBondContact O-N 3.11Å
577	P	87.9	Confident	92	Very high	78 Å²	78	40.1 Å²	40.1	51%	0.506	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.8	-178.1	-29.5	37	0	0	0	115.5
578	H	85	Confident	91.9	Very high	53 Å²	53	37 Å²	37	25%	0.245	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.2	178.7	59.4	-107.3	0	0	0	114.4	H373 W392 F542 P576	H373-H578 PolarHBondContact CE1-O 3.15Å; W392-H578 AromaticContact CD1-CD2 3.95Å; W392-H578 AromaticContact CD1-CE1 3.78Å; W392-H578 AromaticContact CD1-NE2 3.46Å; W392-H578 AromaticContact CD2-CE1 3.4Å; W392-H578 AromaticContact CD2-NE2 3.86Å; W392-H578 AromaticContact CE2-CE1 3.2Å; W392-H578 AromaticContact CE2-CG 3.94Å; W392-H578 AromaticContact CE2-ND1 3.4Å; W392-H578 AromaticContact CE2-NE2 3.68Å; W392-H578 AromaticContact CE3-CE1 3.9Å; W392-H578 AromaticContact CG-CE1 3.81Å; W392-H578 AromaticContact CG-NE2 3.77Å; W392-H578 AromaticContact CH2-ND1 3.9Å; W392-H578 AromaticContact CZ2-CE1 3.58Å; W392-H578 AromaticContact CZ2-ND1 3.33Å; W392-H578 VanDerWaalsContact CZ2-ND1 3.33Å; W392-H578 WeakPolarHBondContact CZ2-ND1 3.5Å; W392-H578 AromaticContact NE1-CD2 3.59Å; W392-H578 AromaticContact NE1-CE1 3.45Å; W392-H578 PolarHBondContact NE1-CE1 3.01Å; W392-H578 AromaticContact NE1-CG 3.77Å; W392-H578 AromaticContact NE1-ND1 3.7Å; W392-H578 AromaticContact NE1-NE2 3.41Å; W392-H578 PolarHBondContact NE1-NE2 3.21Å; F542-H578 AromaticContact CE2-CD2 3.76Å; F542-H578 AromaticContact CE2-NE2 3.76Å; F542-H578 AromaticContact CZ-CD2 3.86Å; F542-H578 AromaticContact CZ-NE2 3.75Å; P576-H578 WeakPolarHBondContact CG-NE2 3.07Å; P576-H578 PolarHBondContact O-N 3.41Å
579	A	85.5	Confident	91.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.6	175.2	0	0	0	0	0	113.1	M366 F542 V575 P576	M366-A579 HydrophobicContact CE-CB 4.18Å; F542-A579 HydrophobicContact CD2-CB 3.68Å; F542-A579 HydrophobicContact CE2-CB 3.7Å; V575-A579 HydrophobicContact CG1-CB 4.49Å; P576-A579 HydrophobicContact CG-CB 3.86Å; P576-A579 PolarHBondContact O-N 3.11Å
580	G	87.4	Confident	91.8	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	20%	0.199	C	C	.	.	S	Bend	trans	-72.8	167.8	179.2	0	0	0	0	0	113.8	H373 T582	H373-G580 PolarHBondContact CE1-O 2.74Å; H373-G580 PolarHBondContact ND1-O 3.28Å; G580-T582 PolarHBondContact O-N 3.25Å
581	P	92.7	Very high	91.8	Very high	13 Å²	13	30.7 Å²	30.7	8%	0.084	18%	0.183	C	C	.	.			trans	-57.6	135.6	172.1	-20	31.6	0	0	0	111.4	D585 P586 L589 R615	P581-D585 WeakPolarHBondContact CA-OD2 3.35Å; P581-D585 HydrophobicContact CB-CB 3.64Å; P581-P586 WeakPolarHBondContact CB-O 3.04Å; P581-L589 HydrophobicContact CB-CD1 4.09Å; P581-L589 HydrophobicContact CB-CG 4.07Å; P581-L589 HydrophobicContact CG-CD1 4.18Å; P581-L589 HydrophobicContact CG-CG 4Å; P581-R615 HydrophobicContact CB-CG 4.06Å; P581-R615 HydrophobicContact CG-CG 4.03Å
582	T	91.4	Very high	91.8	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.172	18%	0.183	C	C	.	.			trans	-64.5	-167.8	-178.3	75.5	0	0	0	0	112.6	G371 H373 G580 Q584 D585 R615	G371-T582 WeakPolarHBondContact O-CB 3.39Å; G371-T582 WeakPolarHBondContact O-CG2 3.4Å; G371-T582 PolarHBondContact O-OG1 2.83Å; H373-T582 HydrophobicContact CB-CG2 4.23Å; H373-T582 VanDerWaalsContact CD2-CG2 3.41Å; H373-T582 WeakPolarHBondContact CD2-CG2 3.43Å; G580-T582 PolarHBondContact O-N 3.25Å; T582-Q584 PolarHBondContact OG1-N 3.37Å; T582-D585 WeakPolarHBondContact CG2-OD2 3.23Å; T582-D585 PolarHBondContact N-OD2 3.2Å; T582-D585 PolarHBondContact OG1-N 3.35Å; T582-D585 PolarHBondContact OG1-OD2 3.16Å; T582-R615 PolarHBondContact O-NE 3.17Å; T582-R615 PolarHBondContact O-NH2 3.39Å
583	A	87.6	Confident	91.8	Very high	105 Å²	105	25.6 Å²	25.6	87%	0.868	16%	0.164	S	C	*	.	S	Bend	trans	-73.8	-24.9	169.3	0	0	0	0	0	113.6
584	Q	86.4	Confident	91.9	Very high	92 Å²	92	25.6 Å²	25.6	43%	0.43	16%	0.164	S	C	.	.	S	Bend	trans	-92.9	-22.8	-177.5	-62.8	-176.6	-1.3	0	0	112.6	R370 T582	R370-Q584 PolarHBondContact O-OE1 2.94Å; T582-Q584 PolarHBondContact OG1-N 3.37Å
585	D	90.1	Very high	92	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	16%	0.156	C	C	.	.	S	Bend	trans	-64.7	164.4	179.3	-74.1	-31.9	0	0	0	114.8	H372 H373 P581 T582 L589 R615	H372-D585 WeakPolarHBondContact CB-OD1 3.46Å; H372-D585 IonicContact CE1-OD1 2.67Å; H372-D585 IonicContact CG-OD1 2.72Å; H372-D585 IonicContact ND1-OD1 3.54Å; H372-D585 PolarHBondContact ND1-OD1 3.46Å; H373-D585 PolarHBondContact N-OD2 3.46Å; P581-D585 WeakPolarHBondContact CA-OD2 3.35Å; P581-D585 HydrophobicContact CB-CB 3.64Å; T582-D585 WeakPolarHBondContact CG2-OD2 3.23Å; T582-D585 PolarHBondContact N-OD2 3.2Å; T582-D585 PolarHBondContact OG1-N 3.35Å; T582-D585 PolarHBondContact OG1-OD2 3.16Å; D585-L589 HydrophobicContact CB-CD2 4.26Å; D585-R615 PolarHBondContact O-NH2 3.32Å
586	P	90.4	Very high	92.1	Very high	38 Å²	38	24.4 Å²	24.4	25%	0.247	16%	0.157	C	C	.	.			trans	-57.3	171.8	160.5	24.9	-35.3	0	0	0	113.3	P581 C588 L589 R615 M738	P581-P586 WeakPolarHBondContact CB-O 3.04Å; P586-C588 VanDerWaalsContact CG-O 3.25Å; P586-C588 WeakPolarHBondContact CG-O 3.41Å; P586-C588 PolarHBondContact O-N 2.83Å; P586-L589 HydrophobicContact CG-CD2 3.99Å; P586-R615 PolarHBondContact O-NH1 3.45Å; P586-M738 HydrophobicContact CB-SD 3.76Å; P586-M738 HydrophobicContact CG-SD 4.05Å
587	A	91.9	Very high	92.2	Very high	47 Å²	47	25.2 Å²	25.2	39%	0.388	17%	0.165	S	C	.	.	S	Bend	trans	-67.2	-20.9	178.3	0	0	0	0	0	113.8	R615 A618	A587-R615 PolarHBondContact O-N 2.8Å; A587-A618 HydrophobicContact CB-CB 4.44Å
588	C	93.9	Very high	92.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145	173.5	-57.9	0	0	0	0	109.7	P586 L612 V613 C614	P586-C588 VanDerWaalsContact CG-O 3.25Å; P586-C588 WeakPolarHBondContact CG-O 3.41Å; P586-C588 PolarHBondContact O-N 2.83Å; C588-L612 HydrophobicContact CB-CD1 3.88Å; C588-L612 HydrophobicContact CB-CD2 4.3Å; C588-L612 HydrophobicContact CB-CG 4.01Å; C588-V613 CarbonylContact C-O 3.58Å; C588-V613 VanDerWaalsContact CA-O 3.25Å; C588-V613 WeakPolarHBondContact CA-O 3.35Å; C588-C614 HydrophobicContact CB-CB 4.05Å; C588-C614 WeakPolarHBondContact CB-SG 3.46Å; C588-C614 WeakPolarHBondContact SG-CB 3.46Å; C588-C614 CovalentContact SG-SG 2.03Å; C588-C614 PolarHBondContact SG-SG 3.3Å
589	L	94.4	Very high	92.9	Very high	21 Å²	21	21.5 Å²	21.5	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.6	172	-71.8	170.3	0	0	0	110.1	H373 P581 D585 P586 W591 V613	H373-L589 HydrophobicContact CB-CD1 4.16Å; P581-L589 HydrophobicContact CB-CD1 4.09Å; P581-L589 HydrophobicContact CB-CG 4.07Å; P581-L589 HydrophobicContact CG-CD1 4.18Å; P581-L589 HydrophobicContact CG-CG 4Å; D585-L589 HydrophobicContact CB-CD2 4.26Å; P586-L589 HydrophobicContact CG-CD2 3.99Å; L589-W591 HydrophobicContact CB-CZ2 3.96Å; L589-W591 HydrophobicContact CD1-CH2 4.49Å; L589-W591 HydrophobicContact CD1-CZ2 3.69Å; L589-W591 HydrophobicContact CG-CZ2 4.46Å; L589-W591 VanDerWaalsContact O-CD1 3.26Å; L589-V613 PolarHBondContact N-O 3Å; L589-V613 PolarHBondContact O-N 3.07Å; L589-V613 VanDerWaalsContact O-N 3.08Å
590	T	95.7	Very high	93.4	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.9	169.3	-47.9	0	0	0	0	109.3	H699 L701 F736 V737	T590-H699 HydrophobicContact CG2-CB 3.86Å; T590-H699 PolarHBondContact OG1-ND1 3.44Å; T590-L701 HydrophobicContact CG2-CD2 3.67Å; T590-F736 HydrophobicContact CG2-CB 4.05Å; T590-F736 WeakPolarHBondContact O-CD2 3.38Å; T590-F736 WeakPolarHBondContact O-CG 3.22Å; T590-V737 PolarHBondContact OG1-O 3.05Å; T590-V737 VanDerWaalsContact OG1-O 3.1Å
591	W	96.5	Very high	93.8	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-173	169.6	-49.2	95.5	0	0	0	108.5	M366 D375 H539 G540 L589 L611 F736	M366-W591 HydrophobicContact CE-CH2 4.03Å; M366-W591 HydrophobicContact CE-CZ2 4.15Å; M366-W591 HydrophobicContact SD-CH2 3.63Å; M366-W591 HydrophobicContact SD-CZ2 4.26Å; M366-W591 HydrophobicContact SD-CZ3 4.41Å; D375-W591 HydrophobicContact CB-CZ3 4.44Å; H539-W591 HydrophobicContact CB-CB 4.08Å; H539-W591 HydrophobicContact CB-CE3 4.11Å; G540-W591 VanDerWaalsContact CA-CE3 3.47Å; L589-W591 HydrophobicContact CB-CZ2 3.96Å; L589-W591 HydrophobicContact CD1-CH2 4.49Å; L589-W591 HydrophobicContact CD1-CZ2 3.69Å; L589-W591 HydrophobicContact CG-CZ2 4.46Å; L589-W591 VanDerWaalsContact O-CD1 3.26Å; W591-L611 CarbonylContact C-O 3.6Å; W591-L611 WeakPolarHBondContact CA-O 3.13Å; W591-L611 HydrophobicContact CB-CB 4.17Å; W591-L611 HydrophobicContact CB-CD2 4.01Å; W591-L611 HydrophobicContact CG-CD2 4.29Å; W591-L611 PolarHBondContact N-O 3.17Å; W591-L611 PolarHBondContact O-N 3.29Å; W591-F736 HydrophobicContact CD2-CE2 4.3Å; W591-F736 HydrophobicContact CE3-CD1 4.42Å; W591-F736 HydrophobicContact CE3-CD2 4.02Å; W591-F736 AromaticContact CE3-CE1 3.88Å; W591-F736 HydrophobicContact CE3-CE1 3.88Å; W591-F736 AromaticContact CE3-CE2 3.42Å; W591-F736 HydrophobicContact CE3-CE2 3.42Å; W591-F736 VanDerWaalsContact CE3-CE2 3.42Å; W591-F736 AromaticContact CE3-CZ 3.36Å; W591-F736 HydrophobicContact CE3-CZ 3.36Å; W591-F736 HydrophobicContact CH2-CE2 4.26Å; W591-F736 HydrophobicContact CZ3-CD2 4.39Å; W591-F736 HydrophobicContact CZ3-CE1 4.27Å; W591-F736 AromaticContact CZ3-CE2 3.41Å; W591-F736 HydrophobicContact CZ3-CE2 3.41Å; W591-F736 VanDerWaalsContact CZ3-CE2 3.41Å; W591-F736 AromaticContact CZ3-CZ 3.35Å; W591-F736 HydrophobicContact CZ3-CZ 3.35Å
592	M	96.4	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	171.6	172.8	65.1	177.4	-173.9	0	0	112.2	H539 F594 V608 G609 L701 L703 H734	H539-M592 PolarHBondContact N-O 3.26Å; H539-M592 WeakPolarHBondContact NE2-CE 3.41Å; M592-F594 HydrophobicContact CE-CD1 4.25Å; M592-V608 HydrophobicContact SD-CG1 4.45Å; M592-G609 CarbonylContact C-O 3.49Å; M592-G609 VanDerWaalsContact CA-O 3.28Å; M592-G609 WeakPolarHBondContact CA-O 3.28Å; M592-G609 WeakPolarHBondContact CB-O 3.46Å; M592-L701 HydrophobicContact CB-CD1 4.27Å; M592-L701 HydrophobicContact CB-CD2 4.2Å; M592-L703 HydrophobicContact CE-CD2 3.66Å; M592-L703 HydrophobicContact CE-CG 4.47Å; M592-L703 HydrophobicContact SD-CD1 4.37Å; M592-L703 HydrophobicContact SD-CD2 4.02Å; M592-L703 HydrophobicContact SD-CG 4.21Å; M592-H734 HydrophobicContact CE-CB 3.74Å; M592-H734 WeakPolarHBondContact CE-ND1 3.21Å
593	Y	97.9	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.1	163.3	64	-87.8	0	0	0	109.5	Y487 P512 I514 M536 Q537 V608 G609 P610 L611	Y487-Y593 HydrophobicContact CD2-CD2 4.33Å; Y487-Y593 AromaticContact CD2-CE2 3.62Å; Y487-Y593 HydrophobicContact CD2-CE2 3.62Å; Y487-Y593 AromaticContact CE2-CD2 3.92Å; Y487-Y593 HydrophobicContact CE2-CD2 3.92Å; Y487-Y593 AromaticContact CE2-CE2 3.68Å; Y487-Y593 HydrophobicContact CE2-CE2 3.68Å; Y487-Y593 HydrophobicContact CG-CE2 4.12Å; P512-Y593 VanDerWaalsContact CD-OH 3.23Å; P512-Y593 WeakPolarHBondContact CD-OH 3.33Å; P512-Y593 WeakPolarHBondContact O-CE1 3.48Å; P512-Y593 PolarHBondContact O-OH 3.14Å; I514-Y593 HydrophobicContact CB-CE1 4.31Å; I514-Y593 HydrophobicContact CD1-CD1 3.68Å; I514-Y593 HydrophobicContact CD1-CE1 3.52Å; I514-Y593 HydrophobicContact CD1-CG 4.26Å; I514-Y593 HydrophobicContact CG1-CD1 4.18Å; I514-Y593 HydrophobicContact CG1-CE1 3.68Å; M536-Y593 HydrophobicContact CE-CD2 3.32Å; M536-Y593 HydrophobicContact CE-CE2 3.29Å; M536-Y593 HydrophobicContact CE-CG 4.26Å; Q537-Y593 CarbonylContact O-C 3.45Å; Q537-Y593 VanDerWaalsContact O-CA 3.22Å; Q537-Y593 WeakPolarHBondContact O-CA 3.38Å; Y593-V608 CarbonylContact O-C 3.57Å; Y593-G609 VanDerWaalsContact CD1-O 3.23Å; Y593-G609 WeakPolarHBondContact CD1-O 3.48Å; Y593-G609 VanDerWaalsContact CE1-C 3.46Å; Y593-G609 PolarHBondContact N-O 2.96Å; Y593-G609 PolarHBondContact O-N 2.86Å; Y593-P610 WeakPolarHBondContact CE1-O 3.19Å; Y593-L611 HydrophobicContact CD1-CB 4.32Å
594	F	97.6	Very high	94.7	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.4	-176.4	60.5	-75	0	0	0	109.9	M536 Q537 H539 M592 A596 P599 T603 L607 H734	M536-F594 CarbonylContact C-O 3.47Å; M536-F594 WeakPolarHBondContact CA-O 3.28Å; Q537-F594 HydrophobicContact CB-CD1 4.47Å; Q537-F594 HydrophobicContact CB-CE1 4.07Å; Q537-F594 HydrophobicContact CB-CE2 4.3Å; Q537-F594 HydrophobicContact CB-CZ 3.97Å; Q537-F594 HydrophobicContact CG-CE1 3.72Å; Q537-F594 HydrophobicContact CG-CE2 4.29Å; Q537-F594 HydrophobicContact CG-CZ 3.55Å; Q537-F594 PolarHBondContact N-O 3.37Å; Q537-F594 WeakPolarHBondContact O-CD1 3.48Å; Q537-F594 PolarHBondContact O-N 3.13Å; H539-F594 AromaticContact CD2-CE1 3.65Å; H539-F594 AromaticContact NE2-CE1 3.52Å; M592-F594 HydrophobicContact CE-CD1 4.25Å; F594-A596 HydrophobicContact CD2-CB 4.13Å; F594-A596 HydrophobicContact CE2-CB 3.67Å; F594-A596 HydrophobicContact CZ-CB 4.4Å; F594-P599 HydrophobicContact CD2-CB 4.44Å; F594-P599 HydrophobicContact CE2-CB 4.14Å; F594-T603 HydrophobicContact CB-CG2 4.09Å; F594-T603 HydrophobicContact CD2-CG2 4.29Å; F594-L607 VanDerWaalsContact CA-O 3.25Å; F594-L607 WeakPolarHBondContact CA-O 3.22Å; F594-H734 AromaticContact CE1-CE1 3.69Å; F594-H734 AromaticContact CE1-ND1 3.92Å; F594-H734 AromaticContact CE2-CE1 3.68Å; F594-H734 AromaticContact CZ-CE1 3.5Å
595	S	97.7	Very high	95.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.092	C	C	.	.			trans	-86.6	136.4	166.7	174.5	0	0	0	0	109.5	Y487 S535 D602 L607	Y487-S595 WeakPolarHBondContact OH-CB 3.32Å; Y487-S595 PolarHBondContact OH-N 2.99Å; Y487-S595 VanDerWaalsContact OH-N 3.16Å; S535-S595 PolarHBondContact N-OG 2.64Å; S535-S595 WeakPolarHBondContact O-CA 3.47Å; S535-S595 VanDerWaalsContact O-CB 3.23Å; S535-S595 WeakPolarHBondContact O-CB 3.47Å; S535-S595 PolarHBondContact O-OG 2.93Å; S595-D602 WeakPolarHBondContact CB-OD2 3.46Å; S595-D602 WeakPolarHBondContact O-CB 3.45Å; S595-D602 PolarHBondContact OG-OD2 2.53Å; S595-L607 VanDerWaalsContact CB-CD1 3.47Å; S595-L607 PolarHBondContact N-O 2.83Å
596	A	95.5	Very high	95.5	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.017	9%	0.091	C	C	.	.			trans	-128.5	28.9	-173.6	0	0	0	0	0	111.9	S535 Q537 T550 V551 F594 P599	S535-A596 PolarHBondContact OG-N 2.95Å; Q537-A596 HydrophobicContact CB-CB 3.69Å; Q537-A596 HydrophobicContact CG-CB 4.29Å; T550-A596 HydrophobicContact CG2-CB 4.35Å; V551-A596 PolarHBondContact N-O 3.4Å; F594-A596 HydrophobicContact CD2-CB 4.13Å; F594-A596 HydrophobicContact CE2-CB 3.67Å; F594-A596 HydrophobicContact CZ-CB 4.4Å; A596-P599 HydrophobicContact CB-CB 4.47Å
597	A	94.4	Very high	95.9	Very high	31 Å²	31	13 Å²	13	26%	0.256	8%	0.079	S	C	.	.	S	Bend	trans	-75.8	-40.1	169.8	0	0	0	0	0	110.1	S535 V562 D602	S535-A597 PolarHBondContact OG-N 3.35Å; V562-A597 HydrophobicContact CG1-CB 3.87Å; V562-A597 HydrophobicContact CG2-CB 4.4Å; A597-D602 PolarHBondContact N-OD2 3.16Å; A597-D602 VanDerWaalsContact N-OD2 3.08Å
598	D	94.4	Very high	96.1	Very high	38 Å²	38	11 Å²	11	20%	0.203	6%	0.062	C	C	.	.	S	Bend	trans	-141.3	88.2	159.2	-176.3	-37.4	0	0	0	107.2	I600 K601 D602 W645	D598-I600 PolarHBondContact O-N 2.78Å; D598-K601 HydrophobicContact CB-CB 4.32Å; D598-K601 PolarHBondContact O-N 3.01Å; D598-K601 VanDerWaalsContact O-N 3.09Å; D598-K601 PolarHBondContact OD1-N 2.99Å; D598-K601 VanDerWaalsContact OD1-N 3.17Å; D598-K601 IonicContact OD2-NZ 2.72Å; D598-K601 PolarHBondContact OD2-NZ 2.86Å; D598-D602 PolarHBondContact N-OD2 2.94Å; D598-D602 WeakPolarHBondContact O-CB 3.08Å; D598-D602 PolarHBondContact O-N 3.06Å; D598-W645 HydrophobicContact CB-CZ2 3.66Å
599	P	93.6	Very high	96.3	Very high	16 Å²	16	11 Å²	11	10%	0.104	6%	0.062	C	C	.	.	H	α-helix	trans	-58.8	-30	-165.2	21.5	-32.8	0	0	0	113.5	F407 F594 A596 T603	F407-P599 HydrophobicContact CD1-CG 4.19Å; F407-P599 HydrophobicContact CE1-CG 3.47Å; F407-P599 VanDerWaalsContact CE1-CG 3.47Å; F407-P599 HydrophobicContact CZ-CG 3.66Å; F594-P599 HydrophobicContact CD2-CB 4.44Å; F594-P599 HydrophobicContact CE2-CB 4.14Å; A596-P599 HydrophobicContact CB-CB 4.47Å; P599-T603 WeakPolarHBondContact O-CB 3.33Å; P599-T603 VanDerWaalsContact O-CG2 3.23Å; P599-T603 WeakPolarHBondContact O-CG2 3.48Å; P599-T603 PolarHBondContact O-N 2.94Å; P599-T603 PolarHBondContact O-OG1 2.71Å
600	I	94.8	Very high	96.4	Very high	25 Å²	25	10 Å²	10	13%	0.128	6%	0.056	C	C	.	.	H	α-helix	trans	-70.8	-49	178.4	-57.6	163.3	0	0	0	110.3	N404 F407 R408 D598 T603 N604	N404-I600 HydrophobicContact CB-CG1 4.23Å; N404-I600 HydrophobicContact CB-CG2 4.21Å; N404-I600 VanDerWaalsContact O-CD1 3.3Å; N404-I600 WeakPolarHBondContact O-CD1 3.17Å; N404-I600 WeakPolarHBondContact OD1-CG1 3.44Å; F407-I600 HydrophobicContact CD1-CD1 4.18Å; F407-I600 HydrophobicContact CD1-CG1 4.41Å; R408-I600 HydrophobicContact CB-CD1 3.7Å; R408-I600 HydrophobicContact CG-CD1 4.29Å; D598-I600 PolarHBondContact O-N 2.78Å; I600-T603 PolarHBondContact O-OG1 3.18Å; I600-N604 WeakPolarHBondContact O-CB 3.2Å; I600-N604 PolarHBondContact O-N 3.07Å; I600-N604 PolarHBondContact O-ND2 3.27Å
601	K	96.4	Very high	96.5	Very high	71 Å²	71	9.8 Å²	9.8	31%	0.309	6%	0.055	S	C	.	.	H	α-helix	trans	-74.7	-37.9	179.9	-60.6	-157	-162.6	77.9	0	112.3	D598 S605 K643 W645	D598-K601 HydrophobicContact CB-CB 4.32Å; D598-K601 PolarHBondContact O-N 3.01Å; D598-K601 VanDerWaalsContact O-N 3.09Å; D598-K601 PolarHBondContact OD1-N 2.99Å; D598-K601 VanDerWaalsContact OD1-N 3.17Å; D598-K601 IonicContact OD2-NZ 2.72Å; D598-K601 PolarHBondContact OD2-NZ 2.86Å; K601-S605 VanDerWaalsContact O-CB 3.22Å; K601-S605 WeakPolarHBondContact O-CB 3.39Å; K601-S605 PolarHBondContact O-N 3.49Å; K601-S605 PolarHBondContact O-OG 3.05Å; K601-S605 VanDerWaalsContact O-OG 3.04Å; K601-K643 VanDerWaalsContact CG-O 3.26Å; K601-K643 WeakPolarHBondContact CG-O 3.47Å; K601-W645 HydrophobicContact CB-CD2 4.06Å; K601-W645 HydrophobicContact CB-CG 4.09Å; K601-W645 HydrophobicContact CB-CZ2 4.26Å; K601-W645 HydrophobicContact CD-CD2 3.78Å; K601-W645 HydrophobicContact CD-CE3 3.85Å; K601-W645 HydrophobicContact CD-CG 4.39Å; K601-W645 HydrophobicContact CD-CH2 4.11Å; K601-W645 HydrophobicContact CD-CZ2 4.05Å; K601-W645 HydrophobicContact CD-CZ3 4.01Å
602	D	97.4	Very high	96.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.8	-46.6	-175.5	-70	-3.5	0	0	0	112.3	F534 S595 A597 D598 S605 G606 L607 W645	F534-D602 WeakPolarHBondContact CD1-OD1 3.5Å; F534-D602 HydrophobicContact CE1-CB 4.49Å; F534-D602 VanDerWaalsContact CE1-OD1 3.28Å; F534-D602 WeakPolarHBondContact CE1-OD1 3.21Å; S595-D602 WeakPolarHBondContact CB-OD2 3.46Å; S595-D602 WeakPolarHBondContact O-CB 3.45Å; S595-D602 PolarHBondContact OG-OD2 2.53Å; A597-D602 PolarHBondContact N-OD2 3.16Å; A597-D602 VanDerWaalsContact N-OD2 3.08Å; D598-D602 PolarHBondContact N-OD2 2.94Å; D598-D602 WeakPolarHBondContact O-CB 3.08Å; D598-D602 PolarHBondContact O-N 3.06Å; D602-S605 PolarHBondContact O-N 3.39Å; D602-G606 PolarHBondContact O-N 2.51Å; D602-G606 VanDerWaalsContact O-N 3.15Å; D602-L607 PolarHBondContact O-N 2.67Å; D602-W645 PolarHBondContact OD1-NE1 3.19Å
603	T	96.4	Very high	96.4	Very high	7 Å²	7	9.8 Å²	9.8	4%	0.043	6%	0.055	C	C	.	.	H	α-helix	trans	-66	-48.7	177.2	54.3	0	0	0	0	111	F594 P599 I600 S605 G606 V608 L703	F594-T603 HydrophobicContact CB-CG2 4.09Å; F594-T603 HydrophobicContact CD2-CG2 4.29Å; P599-T603 WeakPolarHBondContact O-CB 3.33Å; P599-T603 VanDerWaalsContact O-CG2 3.23Å; P599-T603 WeakPolarHBondContact O-CG2 3.48Å; P599-T603 PolarHBondContact O-N 2.94Å; P599-T603 PolarHBondContact O-OG1 2.71Å; I600-T603 PolarHBondContact O-OG1 3.18Å; T603-S605 VanDerWaalsContact C-N 3.25Å; T603-S605 PolarHBondContact O-N 2.88Å; T603-G606 WeakPolarHBondContact O-CA 3.44Å; T603-G606 PolarHBondContact O-N 3.42Å; T603-V608 HydrophobicContact CG2-CG2 4.15Å; T603-L703 HydrophobicContact CG2-CD1 4.35Å
604	N	97.1	Very high	96.3	Very high	6 Å²	6	9.8 Å²	9.8	3%	0.032	6%	0.055	C	C	.	.	H	α-helix	trans	-60.7	-32	175.1	-80	-67.7	0	0	0	112.8	K484 I600 G606 D640 K643	K484-N604 PolarHBondContact NZ-O 3.23Å; I600-N604 WeakPolarHBondContact O-CB 3.2Å; I600-N604 PolarHBondContact O-N 3.07Å; I600-N604 PolarHBondContact O-ND2 3.27Å; N604-G606 VanDerWaalsContact C-N 3.31Å; N604-G606 PolarHBondContact O-N 3.27Å; N604-D640 PolarHBondContact OD1-N 3.37Å; N604-K643 HydrophobicContact CB-CB 4.44Å
605	S	97.3	Very high	96.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-74.2	-15.7	171.8	-71.9	0	0	0	0	114.5	K484 V485 K601 D602 T603 S644 W645	K484-S605 WeakPolarHBondContact CA-O 3.48Å; K484-S605 WeakPolarHBondContact CB-O 3.27Å; K484-S605 WeakPolarHBondContact CE-O 3.38Å; V485-S605 PolarHBondContact N-O 3.43Å; K601-S605 VanDerWaalsContact O-CB 3.22Å; K601-S605 WeakPolarHBondContact O-CB 3.39Å; K601-S605 PolarHBondContact O-N 3.49Å; K601-S605 PolarHBondContact O-OG 3.05Å; K601-S605 VanDerWaalsContact O-OG 3.04Å; D602-S605 PolarHBondContact O-N 3.39Å; T603-S605 VanDerWaalsContact C-N 3.25Å; T603-S605 PolarHBondContact O-N 2.88Å; S605-S644 WeakPolarHBondContact OG-CA 3.26Å; S605-S644 PolarHBondContact OG-OG 2.91Å; S605-W645 PolarHBondContact OG-N 3.2Å
606	G	96.2	Very high	95.9	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.031	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.7	4.8	169.6	0	0	0	0	0	116.7	V485 D602 T603 N604 V608	V485-G606 CarbonylContact O-C 3.51Å; V485-G606 WeakPolarHBondContact O-CA 3.2Å; D602-G606 PolarHBondContact O-N 2.51Å; D602-G606 VanDerWaalsContact O-N 3.15Å; T603-G606 WeakPolarHBondContact O-CA 3.44Å; T603-G606 PolarHBondContact O-N 3.42Å; N604-G606 VanDerWaalsContact C-N 3.31Å; N604-G606 PolarHBondContact O-N 3.27Å; G606-V608 PolarHBondContact O-N 3.46Å
607	L	97.7	Very high	95.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.			trans	-84.4	76.1	-175.9	-67.5	-169.4	0	0	0	113.9	A440 V485 Y487 F534 F594 S595 D602	A440-L607 HydrophobicContact CB-CD2 4.26Å; V485-L607 HydrophobicContact CB-CD2 4.32Å; V485-L607 HydrophobicContact CG1-CD1 4.19Å; V485-L607 HydrophobicContact CG1-CD2 3.72Å; V485-L607 HydrophobicContact CG1-CG 3.59Å; V485-L607 HydrophobicContact CG2-CD2 3.89Å; V485-L607 HydrophobicContact CG2-CG 4.5Å; Y487-L607 HydrophobicContact CD1-CD2 4.04Å; Y487-L607 HydrophobicContact CD2-CB 4.41Å; Y487-L607 HydrophobicContact CD2-CD2 4.12Å; Y487-L607 HydrophobicContact CE1-CD1 4.46Å; Y487-L607 HydrophobicContact CE1-CD2 4Å; Y487-L607 VanDerWaalsContact CE2-C 3.4Å; Y487-L607 HydrophobicContact CE2-CB 3.72Å; Y487-L607 HydrophobicContact CE2-CD2 4.1Å; Y487-L607 HydrophobicContact CE2-CG 4.43Å; Y487-L607 HydrophobicContact CG-CD2 4.1Å; F534-L607 HydrophobicContact CB-CD1 3.72Å; F534-L607 HydrophobicContact CD1-CD1 3.38Å; F534-L607 HydrophobicContact CD2-CD1 3.68Å; F534-L607 HydrophobicContact CE1-CD1 3.77Å; F534-L607 HydrophobicContact CE2-CD1 4.04Å; F534-L607 HydrophobicContact CG-CD1 3.32Å; F534-L607 HydrophobicContact CZ-CD1 4.07Å; F594-L607 VanDerWaalsContact CA-O 3.25Å; F594-L607 WeakPolarHBondContact CA-O 3.22Å; S595-L607 VanDerWaalsContact CB-CD1 3.47Å; S595-L607 PolarHBondContact N-O 2.83Å; D602-L607 PolarHBondContact O-N 2.67Å
608	V	97.4	Very high	95.7	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.03	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.8	175.8	-172	0	0	0	0	109.9	L510 G511 M592 Y593 T603 G606 L635 L703	L510-V608 HydrophobicContact CD2-CB 3.99Å; L510-V608 HydrophobicContact CD2-CG1 3.84Å; G511-V608 PolarHBondContact N-O 3.07Å; M592-V608 HydrophobicContact SD-CG1 4.45Å; Y593-V608 CarbonylContact O-C 3.57Å; T603-V608 HydrophobicContact CG2-CG2 4.15Å; G606-V608 PolarHBondContact O-N 3.46Å; V608-L635 HydrophobicContact CB-CD2 4.3Å; V608-L635 HydrophobicContact CG1-CD2 4.1Å; V608-L635 HydrophobicContact CG2-CD2 4.43Å; V608-L703 HydrophobicContact CB-CD1 4.14Å; V608-L703 HydrophobicContact CG1-CD1 3.63Å; V608-L703 HydrophobicContact CG2-CD1 3.35Å
609	G	97.1	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	153.3	169.7	0	0	0	0	0	113.1	M592 Y593	M592-G609 CarbonylContact C-O 3.49Å; M592-G609 VanDerWaalsContact CA-O 3.28Å; M592-G609 WeakPolarHBondContact CA-O 3.28Å; M592-G609 WeakPolarHBondContact CB-O 3.46Å; Y593-G609 VanDerWaalsContact CD1-O 3.23Å; Y593-G609 WeakPolarHBondContact CD1-O 3.48Å; Y593-G609 VanDerWaalsContact CE1-C 3.46Å; Y593-G609 PolarHBondContact N-O 2.96Å; Y593-G609 PolarHBondContact O-N 2.86Å
610	P	97.2	Very high	95.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	146.5	-178.6	30	-33.6	0	0	0	113	G511 V513 I514 Y593 F633 L701	G511-P610 WeakPolarHBondContact O-CD 3.35Å; V513-P610 WeakPolarHBondContact CA-O 3.44Å; V513-P610 HydrophobicContact CB-CG 4.13Å; V513-P610 HydrophobicContact CG1-CB 4.4Å; V513-P610 HydrophobicContact CG1-CG 4.11Å; V513-P610 HydrophobicContact CG2-CG 3.77Å; I514-P610 PolarHBondContact N-O 3.14Å; Y593-P610 WeakPolarHBondContact CE1-O 3.19Å; P610-F633 HydrophobicContact CB-CB 4.33Å; P610-F633 HydrophobicContact CB-CD1 3.48Å; P610-F633 VanDerWaalsContact CB-CD1 3.48Å; P610-F633 HydrophobicContact CB-CE1 4.15Å; P610-F633 HydrophobicContact CB-CG 4.14Å; P610-F633 HydrophobicContact CG-CB 4.13Å; P610-F633 HydrophobicContact CG-CD1 3.87Å; P610-F633 HydrophobicContact CG-CG 4.06Å; P610-L701 HydrophobicContact CB-CD1 4.19Å
611	L	96.9	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.4	173.7	-171.4	150.2	0	0	0	109.2	I514 I522 P538 V541 W573 W591 Y593 V613	I514-L611 HydrophobicContact CB-CD1 4.34Å; I514-L611 HydrophobicContact CB-CG 4.2Å; I514-L611 HydrophobicContact CG2-CD1 4.03Å; I514-L611 HydrophobicContact CG2-CG 4.1Å; I514-L611 CarbonylContact O-C 3.58Å; I514-L611 WeakPolarHBondContact O-CA 3.4Å; I522-L611 HydrophobicContact CD1-CD1 4.39Å; P538-L611 HydrophobicContact CB-CD1 4.18Å; V541-L611 HydrophobicContact CG1-CD2 4.03Å; W573-L611 HydrophobicContact CE3-CD1 4.29Å; W573-L611 HydrophobicContact CZ3-CD1 4.07Å; W591-L611 CarbonylContact C-O 3.6Å; W591-L611 WeakPolarHBondContact CA-O 3.13Å; W591-L611 HydrophobicContact CB-CB 4.17Å; W591-L611 HydrophobicContact CB-CD2 4.01Å; W591-L611 HydrophobicContact CG-CD2 4.29Å; W591-L611 PolarHBondContact N-O 3.17Å; W591-L611 PolarHBondContact O-N 3.29Å; Y593-L611 HydrophobicContact CD1-CB 4.32Å; L611-V613 HydrophobicContact CD2-CG2 3.62Å
612	L	96.2	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.2	-177.8	-168.8	77.5	0	0	0	110.6	I514 R515 A516 C588 L619 Q625 H699	I514-L612 PolarHBondContact O-N 3.36Å; R515-L612 WeakPolarHBondContact CA-O 3.36Å; R515-L612 HydrophobicContact CG-CB 4.12Å; R515-L612 HydrophobicContact CG-CD2 4.33Å; A516-L612 PolarHBondContact N-O 2.72Å; C588-L612 HydrophobicContact CB-CD1 3.88Å; C588-L612 HydrophobicContact CB-CD2 4.3Å; C588-L612 HydrophobicContact CB-CG 4.01Å; L612-L619 HydrophobicContact CD2-CD2 4.44Å; L612-Q625 HydrophobicContact CD2-CG 3.95Å; L612-H699 VanDerWaalsContact CD1-CE1 3.41Å; L612-H699 WeakPolarHBondContact CD1-CE1 3.48Å
613	V	95.8	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.9	176.3	177.5	0	0	0	0	109.8	V541 V575 C588 L589 L611	V541-V613 HydrophobicContact CG1-CG2 3.93Å; V575-V613 HydrophobicContact CG1-CG1 3.51Å; V575-V613 HydrophobicContact CG2-CG2 4.5Å; C588-V613 CarbonylContact C-O 3.58Å; C588-V613 VanDerWaalsContact CA-O 3.25Å; C588-V613 WeakPolarHBondContact CA-O 3.35Å; L589-V613 PolarHBondContact N-O 3Å; L589-V613 PolarHBondContact O-N 3.07Å; L589-V613 VanDerWaalsContact O-N 3.08Å; L611-V613 HydrophobicContact CD2-CG2 3.62Å
614	C	95.6	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.1	-173.7	-68.6	0	0	0	0	113.1	A516 E517 V518 C588 A618 L619	A516-C614 PolarHBondContact O-N 3.39Å; E517-C614 CarbonylContact C-O 3.55Å; E517-C614 VanDerWaalsContact CA-O 3.25Å; E517-C614 WeakPolarHBondContact CA-O 3.28Å; E517-C614 HydrophobicContact CG-CB 4.3Å; V518-C614 WeakPolarHBondContact CG2-O 3.28Å; V518-C614 PolarHBondContact N-O 3.14Å; C588-C614 HydrophobicContact CB-CB 4.05Å; C588-C614 WeakPolarHBondContact CB-SG 3.46Å; C588-C614 WeakPolarHBondContact SG-CB 3.46Å; C588-C614 CovalentContact SG-SG 2.03Å; C588-C614 PolarHBondContact SG-SG 3.3Å; C614-A618 HydrophobicContact CB-CB 4.24Å; C614-L619 HydrophobicContact CB-CD1 4.39Å; C614-L619 HydrophobicContact CB-CD2 4.26Å; C614-L619 HydrophobicContact CB-CG 3.95Å; C614-L619 WeakPolarHBondContact SG-CD2 3.33Å
615	R	94.8	Very high	92.7	Very high	81 Å²	81	28 Å²	28	31%	0.306	19%	0.189	S	C	.	.			trans	-58	149.2	167.9	-64.4	-174.2	-175.9	122.8	-3.1	110.6	P581 T582 D585 P586 A587 G617 A618	P581-R615 HydrophobicContact CB-CG 4.06Å; P581-R615 HydrophobicContact CG-CG 4.03Å; T582-R615 PolarHBondContact O-NE 3.17Å; T582-R615 PolarHBondContact O-NH2 3.39Å; D585-R615 PolarHBondContact O-NH2 3.32Å; P586-R615 PolarHBondContact O-NH1 3.45Å; A587-R615 PolarHBondContact O-N 2.8Å; R615-G617 PolarHBondContact O-N 2.78Å; R615-A618 HydrophobicContact CB-CB 4.39Å; R615-A618 WeakPolarHBondContact O-CB 3.05Å; R615-A618 PolarHBondContact O-N 2.99Å
616	A	92.6	Very high	92.5	Very high	74 Å²	74	34.1 Å²	34.1	61%	0.612	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	125.5	-179.5	0	0	0	0	0	111.9	V518	V518-A616 HydrophobicContact CB-CB 4.37Å
617	G	91.3	Very high	92.2	Very high	40 Å²	40	37.1 Å²	37.1	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	11.7	-175.6	0	0	0	0	0	116.4	E517 R615 K626	E517-G617 VanDerWaalsContact OE1-C 3.24Å; E517-G617 WeakPolarHBondContact OE1-CA 3.06Å; E517-G617 PolarHBondContact OE1-N 2.7Å; E517-G617 VanDerWaalsContact OE1-N 3.13Å; E517-G617 PolarHBondContact OE2-N 3.5Å; R615-G617 PolarHBondContact O-N 2.78Å; G617-K626 PolarHBondContact O-NZ 3.3Å
618	A	93.3	Very high	91.9	Very high	18 Å²	18	38.3 Å²	38.3	15%	0.149	25%	0.254	C	S	.	.			trans	-81.5	-18.9	174.8	0	0	0	0	0	114.1	E517 A587 C614 R615 K626	E517-A618 PolarHBondContact OE1-N 3.33Å; A587-A618 HydrophobicContact CB-CB 4.44Å; C614-A618 HydrophobicContact CB-CB 4.24Å; R615-A618 HydrophobicContact CB-CB 4.39Å; R615-A618 WeakPolarHBondContact O-CB 3.05Å; R615-A618 PolarHBondContact O-N 2.99Å; A618-K626 WeakPolarHBondContact O-CB 3.15Å; A618-K626 WeakPolarHBondContact O-CG 3.08Å; A618-K626 PolarHBondContact O-N 2.88Å
619	L	93.5	Very high	91.7	Very high	6 Å²	6	42 Å²	42	3%	0.031	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-90.3	147.8	176.1	-64.6	-178	0	0	0	112.6	R515 E517 L612 C614 G623 K624 Q625 K626	R515-L619 HydrophobicContact CB-CD1 4.13Å; E517-L619 HydrophobicContact CG-CB 4.21Å; E517-L619 HydrophobicContact CG-CD1 4.03Å; E517-L619 HydrophobicContact CG-CG 4.03Å; E517-L619 WeakPolarHBondContact OE1-CA 3.45Å; E517-L619 WeakPolarHBondContact OE1-CB 3.18Å; E517-L619 PolarHBondContact OE1-N 3.39Å; L612-L619 HydrophobicContact CD2-CD2 4.44Å; C614-L619 HydrophobicContact CB-CD1 4.39Å; C614-L619 HydrophobicContact CB-CD2 4.26Å; C614-L619 HydrophobicContact CB-CG 3.95Å; C614-L619 WeakPolarHBondContact SG-CD2 3.33Å; L619-G623 WeakPolarHBondContact CD2-O 3.21Å; L619-K624 CarbonylContact C-O 3.59Å; L619-K624 VanDerWaalsContact CA-O 3.3Å; L619-K624 WeakPolarHBondContact CA-O 3.49Å; L619-K624 WeakPolarHBondContact CD2-O 3.21Å; L619-Q625 HydrophobicContact CD2-CG 3.99Å; L619-K626 WeakPolarHBondContact O-CE 3.32Å; L619-K626 PolarHBondContact O-NZ 2.91Å
620	G	89.1	Confident	91.5	Very high	24 Å²	24	44.8 Å²	44.8	25%	0.247	29%	0.286	C	S	.	.			trans	-72.2	177.9	173	0	0	0	0	0	113.5	D622 G623 K624	G620-D622 VanDerWaalsContact CA-OD1 3.32Å; G620-D622 WeakPolarHBondContact CA-OD1 3.26Å; G620-D622 PolarHBondContact O-N 2.78Å; G620-G623 PolarHBondContact O-N 2.91Å; G620-G623 VanDerWaalsContact O-N 3.14Å; G620-K624 PolarHBondContact N-O 3.36Å
621	A	83.4	Confident	91.3	Very high	121 Å²	121	45.8 Å²	45.8	100%	1	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-19	174.6	0	0	0	0	0	112.8
622	D	81.3	Confident	91.2	Very high	118 Å²	118	46.2 Å²	46.2	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.3	168.4	57.1	-9.2	0	0	0	113.4	G620 K624	G620-D622 VanDerWaalsContact CA-OD1 3.32Å; G620-D622 WeakPolarHBondContact CA-OD1 3.26Å; G620-D622 PolarHBondContact O-N 2.78Å; D622-K624 PolarHBondContact OD1-N 2.81Å
623	G	81.8	Confident	91.3	Very high	17 Å²	17	46.2 Å²	46.2	18%	0.175	29%	0.292	C	S	.	.	S	Bend	trans	82	4.6	-177.3	0	0	0	0	0	115.3	R515 L619 G620	R515-G623 WeakPolarHBondContact CD-O 3.42Å; L619-G623 WeakPolarHBondContact CD2-O 3.21Å; G620-G623 PolarHBondContact O-N 2.91Å; G620-G623 VanDerWaalsContact O-N 3.14Å
624	K	86.8	Confident	91.3	Very high	68 Å²	68	46.2 Å²	46.2	30%	0.296	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-82.1	164.4	174.6	-69.5	-170.7	176.7	-174.3	0	112.6	E503 L619 G620 D622 E631	E503-K624 IonicContact OE1-NZ 3.71Å; E503-K624 PolarHBondContact OE1-NZ 3.09Å; E503-K624 VanDerWaalsContact OE1-NZ 3.1Å; E503-K624 WeakPolarHBondContact OE2-CE 3.47Å; E503-K624 IonicContact OE2-NZ 2.72Å; E503-K624 PolarHBondContact OE2-NZ 2.97Å; L619-K624 CarbonylContact C-O 3.59Å; L619-K624 VanDerWaalsContact CA-O 3.3Å; L619-K624 WeakPolarHBondContact CA-O 3.49Å; L619-K624 WeakPolarHBondContact CD2-O 3.21Å; G620-K624 PolarHBondContact N-O 3.36Å; D622-K624 PolarHBondContact OD1-N 2.81Å; K624-E631 WeakPolarHBondContact CA-OE2 3.43Å; K624-E631 WeakPolarHBondContact CB-OE2 3.45Å
625	Q	92.3	Very high	91.5	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.056	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-73.5	132.1	177.7	-67.9	177.1	70.9	0	0	112.6	L612 L619 G627 V628 E631 H699	L612-Q625 HydrophobicContact CD2-CG 3.95Å; L619-Q625 HydrophobicContact CD2-CG 3.99Å; Q625-G627 PolarHBondContact O-N 2.86Å; Q625-V628 HydrophobicContact CB-CB 3.97Å; Q625-V628 HydrophobicContact CB-CG2 3.8Å; Q625-V628 PolarHBondContact O-N 2.69Å; Q625-E631 PolarHBondContact N-OE2 2.85Å; Q625-E631 VanDerWaalsContact NE2-CD 3.31Å; Q625-E631 PolarHBondContact NE2-OE1 2.72Å; Q625-H699 PolarHBondContact NE2-CE1 2.84Å; Q625-H699 PolarHBondContact NE2-NE2 2.75Å
626	K	92.4	Very high	91.6	Very high	130 Å²	130	42.5 Å²	42.5	57%	0.565	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	123.5	177.8	-74.2	168.4	174.5	138.7	0	111.4	G617 A618 L619	G617-K626 PolarHBondContact O-NZ 3.3Å; A618-K626 WeakPolarHBondContact O-CB 3.15Å; A618-K626 WeakPolarHBondContact O-CG 3.08Å; A618-K626 PolarHBondContact O-N 2.88Å; L619-K626 WeakPolarHBondContact O-CE 3.32Å; L619-K626 PolarHBondContact O-NZ 2.91Å
627	G	89.3	Confident	91.8	Very high	65 Å²	65	39.2 Å²	39.2	67%	0.67	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	12.6	-178.9	0	0	0	0	0	114.1	Q625	Q625-G627 PolarHBondContact O-N 2.86Å
628	V	92.8	Very high	92.1	Very high	26 Å²	26	37.8 Å²	37.8	16%	0.158	23%	0.234	C	C	.	.			trans	-115.2	129	169.7	178.4	0	0	0	0	107.5	Q625 K630 E631 A697	Q625-V628 HydrophobicContact CB-CB 3.97Å; Q625-V628 HydrophobicContact CB-CG2 3.8Å; Q625-V628 PolarHBondContact O-N 2.69Å; V628-K630 WeakPolarHBondContact CG1-O 3.43Å; V628-E631 HydrophobicContact CG1-CG 3.81Å; V628-A697 HydrophobicContact CG1-CB 3.69Å; V628-A697 HydrophobicContact CG2-CB 4.32Å
629	D	92.2	Very high	92.2	Very high	81 Å²	81	37.2 Å²	37.2	43%	0.433	23%	0.229	S	C	.	.	S	Bend	trans	-90.7	-29.7	-179	-57.6	-71.4	0	0	0	111.6	D694 T695	D629-D694 HydrophobicContact CB-CB 3.99Å; D629-T695 PolarHBondContact N-O 2.99Å; D629-T695 PolarHBondContact OD2-N 2.91Å
630	K	92.3	Very high	92.4	Very high	59 Å²	59	37.9 Å²	37.9	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132	175.3	-69.4	-67.1	168.7	-174.8	0	112.3	E503 V628 F632 T695 V696 A697	E503-K630 IonicContact OE1-NZ 3.68Å; E503-K630 PolarHBondContact OE1-NZ 3.41Å; V628-K630 WeakPolarHBondContact CG1-O 3.43Å; K630-F632 HydrophobicContact CB-CD2 4.47Å; K630-F632 HydrophobicContact CB-CE2 3.86Å; K630-F632 HydrophobicContact CB-CZ 4.28Å; K630-F632 HydrophobicContact CD-CZ 4.47Å; K630-F632 HydrophobicContact CG-CE2 4.45Å; K630-F632 HydrophobicContact CG-CZ 4.49Å; K630-T695 PolarHBondContact N-O 3.1Å; K630-V696 HydrophobicContact CB-CG1 4.19Å; K630-V696 HydrophobicContact CB-CG2 4.31Å; K630-V696 CarbonylContact O-C 3.57Å; K630-V696 WeakPolarHBondContact O-CA 3.21Å; K630-A697 PolarHBondContact O-N 3.16Å
631	E	93.5	Very high	92.8	Very high	21 Å²	21	36.9 Å²	36.9	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.3	171.7	-63.8	174.4	61.1	0	0	107.9	H506 R515 K624 Q625 V628 F633 A697	H506-E631 PolarHBondContact NE2-O 2.04Å; R515-E631 IonicContact NE-OE1 3.88Å; R515-E631 IonicContact NH2-OE1 3.8Å; K624-E631 WeakPolarHBondContact CA-OE2 3.43Å; K624-E631 WeakPolarHBondContact CB-OE2 3.45Å; Q625-E631 PolarHBondContact N-OE2 2.85Å; Q625-E631 VanDerWaalsContact NE2-CD 3.31Å; Q625-E631 PolarHBondContact NE2-OE1 2.72Å; V628-E631 HydrophobicContact CG1-CG 3.81Å; E631-F633 HydrophobicContact CB-CE2 3.93Å; E631-F633 HydrophobicContact CB-CZ 4.46Å; E631-A697 WeakPolarHBondContact CA-O 3.3Å
632	F	96.1	Very high	93.3	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	174	-65	-68.7	0	0	0	110	H506 K630 L688 M690 V696 A697 W698 H699	H506-F632 AromaticContact ND1-CD1 3.99Å; K630-F632 HydrophobicContact CB-CD2 4.47Å; K630-F632 HydrophobicContact CB-CE2 3.86Å; K630-F632 HydrophobicContact CB-CZ 4.28Å; K630-F632 HydrophobicContact CD-CZ 4.47Å; K630-F632 HydrophobicContact CG-CE2 4.45Å; K630-F632 HydrophobicContact CG-CZ 4.49Å; F632-L688 HydrophobicContact CB-CD2 4.43Å; F632-L688 HydrophobicContact CD1-CD2 3.47Å; F632-L688 VanDerWaalsContact CD1-CD2 3.47Å; F632-L688 HydrophobicContact CE1-CD2 3.79Å; F632-L688 HydrophobicContact CG-CD2 3.98Å; F632-M690 HydrophobicContact CD2-CE 4.44Å; F632-M690 HydrophobicContact CE2-CE 3.72Å; F632-M690 HydrophobicContact CZ-CE 4.34Å; F632-V696 HydrophobicContact CD2-CG1 3.67Å; F632-V696 HydrophobicContact CE2-CG1 3.81Å; F632-A697 PolarHBondContact N-O 2.74Å; F632-W698 HydrophobicContact CB-CD2 4.44Å; F632-W698 HydrophobicContact CB-CE3 3.64Å; F632-W698 HydrophobicContact CB-CZ3 3.83Å; F632-W698 HydrophobicContact CD2-CD2 4.36Å; F632-W698 HydrophobicContact CD2-CE3 4.03Å; F632-W698 AromaticContact CD2-CH2 3.98Å; F632-W698 HydrophobicContact CD2-CH2 3.98Å; F632-W698 HydrophobicContact CD2-CZ2 4.31Å; F632-W698 AromaticContact CD2-CZ3 3.81Å; F632-W698 HydrophobicContact CD2-CZ3 3.81Å; F632-W698 HydrophobicContact CE2-CH2 4.42Å; F632-W698 HydrophobicContact CG-CE3 4.16Å; F632-W698 AromaticContact CG-CZ3 3.95Å; F632-W698 HydrophobicContact CG-CZ3 3.95Å; F632-H699 PolarHBondContact O-N 2.76Å
633	F	96.6	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.1	178.8	-60.2	-99.2	0	0	0	109.3	H506 L507 V513 P610 E631 N678 H699	H506-F633 PolarHBondContact CD2-O 3.38Å; L507-F633 HydrophobicContact CD2-CB 3.72Å; L507-F633 HydrophobicContact CD2-CD2 4.34Å; L507-F633 HydrophobicContact CD2-CG 4.33Å; V513-F633 HydrophobicContact CG1-CD1 4.34Å; V513-F633 HydrophobicContact CG1-CE1 3.75Å; V513-F633 HydrophobicContact CG1-CE2 4.1Å; V513-F633 HydrophobicContact CG1-CZ 3.64Å; V513-F633 HydrophobicContact CG2-CD2 3.94Å; V513-F633 HydrophobicContact CG2-CE2 3.97Å; V513-F633 HydrophobicContact CG2-CG 4.32Å; V513-F633 HydrophobicContact CG2-CZ 4.36Å; P610-F633 HydrophobicContact CB-CB 4.33Å; P610-F633 HydrophobicContact CB-CD1 3.48Å; P610-F633 VanDerWaalsContact CB-CD1 3.48Å; P610-F633 HydrophobicContact CB-CE1 4.15Å; P610-F633 HydrophobicContact CB-CG 4.14Å; P610-F633 HydrophobicContact CG-CB 4.13Å; P610-F633 HydrophobicContact CG-CD1 3.87Å; P610-F633 HydrophobicContact CG-CG 4.06Å; E631-F633 HydrophobicContact CB-CE2 3.93Å; E631-F633 HydrophobicContact CB-CZ 4.46Å; F633-N678 PolarHBondContact O-ND2 2.88Å; F633-H699 CarbonylContact C-O 3.54Å; F633-H699 VanDerWaalsContact CA-O 3.31Å; F633-H699 WeakPolarHBondContact CA-O 3.34Å; F633-H699 HydrophobicContact CB-CB 4.44Å; F633-H699 HydrophobicContact CD1-CB 3.29Å; F633-H699 AromaticContact CD1-CG 3.77Å; F633-H699 HydrophobicContact CE1-CB 3.54Å; F633-H699 AromaticContact CE1-CD2 3.64Å; F633-H699 AromaticContact CE1-CG 3.43Å; F633-H699 VanDerWaalsContact CE1-CG 3.43Å; F633-H699 HydrophobicContact CG-CB 3.94Å; F633-H699 HydrophobicContact CZ-CB 4.34Å; F633-H699 AromaticContact CZ-CD2 3.61Å; F633-H699 AromaticContact CZ-CG 3.92Å
634	L	97.8	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120	-175.7	-57.1	179.3	0	0	0	111	F636 I677 N678 L685 L688 W698 H699 L700 L701 I751	L634-F636 HydrophobicContact CB-CD2 4.3Å; L634-F636 HydrophobicContact CB-CE2 3.83Å; L634-F636 HydrophobicContact CD1-CE2 4.16Å; L634-I677 HydrophobicContact CB-CG2 4.3Å; L634-I677 HydrophobicContact CD2-CG2 4.1Å; L634-N678 WeakPolarHBondContact CA-OD1 3.24Å; L634-L685 HydrophobicContact CD2-CD2 3.83Å; L634-L688 HydrophobicContact CD2-CD2 4.37Å; L634-W698 HydrophobicContact CD1-CE3 3.89Å; L634-W698 HydrophobicContact CD1-CZ3 3.91Å; L634-H699 PolarHBondContact N-O 3.24Å; L634-L700 HydrophobicContact CB-CD2 3.98Å; L634-L700 HydrophobicContact CD1-CD2 4.09Å; L634-L700 HydrophobicContact CG-CD2 4.4Å; L634-L700 CarbonylContact O-C 3.41Å; L634-L700 WeakPolarHBondContact O-CA 3.33Å; L634-L701 PolarHBondContact O-N 3.09Å; L634-I751 HydrophobicContact CD1-CD1 3.53Å
635	L	97.8	Very high	95.1	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.9	167.3	175.8	69.5	0	0	0	109.6	L510 V608 T637 I677 N678 L701 L703	L510-L635 HydrophobicContact CD1-CB 4.14Å; L510-L635 HydrophobicContact CD2-CB 3.94Å; L510-L635 HydrophobicContact CD2-CD2 3.8Å; L510-L635 HydrophobicContact CD2-CG 4.47Å; L510-L635 HydrophobicContact CG-CB 4.3Å; V608-L635 HydrophobicContact CB-CD2 4.3Å; V608-L635 HydrophobicContact CG1-CD2 4.1Å; V608-L635 HydrophobicContact CG2-CD2 4.43Å; L635-T637 HydrophobicContact CD1-CG2 4.46Å; L635-T637 HydrophobicContact CD2-CG2 3.77Å; L635-T637 HydrophobicContact CG-CG2 3.77Å; L635-I677 WeakPolarHBondContact O-CA 3.42Å; L635-N678 PolarHBondContact N-OD1 2.56Å; L635-N678 PolarHBondContact O-N 2.79Å; L635-L701 WeakPolarHBondContact CA-O 3.47Å; L635-L701 HydrophobicContact CB-CB 4.34Å; L635-L701 HydrophobicContact CD1-CB 3.74Å; L635-L703 HydrophobicContact CD1-CB 4.05Å; L635-L703 HydrophobicContact CD1-CD1 3.91Å; L635-L703 HydrophobicContact CD1-CG 3.88Å; L635-L703 HydrophobicContact CD2-CD1 4.23Å
636	F	97.8	Very high	95.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	169.2	-73.1	-109.5	0	0	0	107.7	L634 I677 L700 L701 L703 H710 V712 L731 I751 M763	L634-F636 HydrophobicContact CB-CD2 4.3Å; L634-F636 HydrophobicContact CB-CE2 3.83Å; L634-F636 HydrophobicContact CD1-CE2 4.16Å; F636-I677 HydrophobicContact CD1-CD1 4.23Å; F636-I677 HydrophobicContact CD1-CG1 3.96Å; F636-I677 HydrophobicContact CE1-CD1 3.45Å; F636-I677 VanDerWaalsContact CE1-CD1 3.45Å; F636-I677 HydrophobicContact CE1-CG1 3.7Å; F636-I677 HydrophobicContact CE2-CG2 4.21Å; F636-I677 HydrophobicContact CZ-CD1 3.64Å; F636-I677 HydrophobicContact CZ-CG1 4.01Å; F636-I677 HydrophobicContact CZ-CG2 4.26Å; F636-L700 HydrophobicContact CE2-CD2 4.28Å; F636-L701 PolarHBondContact N-O 2.83Å; F636-L703 PolarHBondContact O-N 3.28Å; F636-H710 HydrophobicContact CB-CB 4.21Å; F636-V712 HydrophobicContact CD1-CG2 3.79Å; F636-V712 HydrophobicContact CD2-CG2 3.79Å; F636-V712 HydrophobicContact CE1-CB 4.44Å; F636-V712 HydrophobicContact CE1-CG1 4.02Å; F636-V712 HydrophobicContact CE1-CG2 3.76Å; F636-V712 HydrophobicContact CE2-CB 4.46Å; F636-V712 HydrophobicContact CE2-CG1 3.77Å; F636-V712 HydrophobicContact CE2-CG2 3.77Å; F636-V712 HydrophobicContact CG-CG2 3.82Å; F636-V712 HydrophobicContact CZ-CB 4.23Å; F636-V712 HydrophobicContact CZ-CG1 3.43Å; F636-V712 VanDerWaalsContact CZ-CG1 3.43Å; F636-V712 HydrophobicContact CZ-CG2 3.76Å; F636-L731 HydrophobicContact CB-CD1 4.05Å; F636-L731 HydrophobicContact CD2-CD1 3.98Å; F636-L731 HydrophobicContact CG-CD1 4.19Å; F636-I751 HydrophobicContact CZ-CD1 4.08Å; F636-I751 HydrophobicContact CZ-CG1 4.36Å; F636-M763 HydrophobicContact CB-SD 4.24Å; F636-M763 HydrophobicContact CD1-CG 3.97Å; F636-M763 HydrophobicContact CD1-SD 3.72Å; F636-M763 HydrophobicContact CE1-CG 4.4Å; F636-M763 HydrophobicContact CG-SD 4.45Å
637	T	96.9	Very high	95.4	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	147	-174.7	-178	0	0	0	0	111.7	L635 L639 A676 L703 D708 M763	L635-T637 HydrophobicContact CD1-CG2 4.46Å; L635-T637 HydrophobicContact CD2-CG2 3.77Å; L635-T637 HydrophobicContact CG-CG2 3.77Å; T637-L639 HydrophobicContact CG2-CD1 4.45Å; T637-L639 HydrophobicContact CG2-CD2 4.39Å; T637-L639 HydrophobicContact CG2-CG 3.95Å; T637-A676 PolarHBondContact N-O 3.26Å; T637-A676 PolarHBondContact O-N 2.98Å; T637-L703 WeakPolarHBondContact CA-O 3.5Å; T637-L703 WeakPolarHBondContact CB-O 3.24Å; T637-L703 PolarHBondContact OG1-O 2.73Å; T637-D708 WeakPolarHBondContact CA-OD1 3.35Å; T637-M763 WeakPolarHBondContact O-CE 3.34Å
638	V	97	Very high	95.5	Very high	10 Å²	10	28.3 Å²	28.3	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	102.1	163.3	-172.2	0	0	0	0	109.3	D640 R673 H675 D708 M763	V638-D640 PolarHBondContact O-N 3.02Å; V638-D640 VanDerWaalsContact O-N 3.15Å; V638-R673 HydrophobicContact CG1-CB 3.93Å; V638-R673 HydrophobicContact CG1-CG 4.5Å; V638-H675 WeakPolarHBondContact CG2-ND1 3.4Å; V638-D708 PolarHBondContact N-OD1 2.84Å; V638-M763 HydrophobicContact CG2-CE 4.4Å
639	L	96.5	Very high	95.4	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	101.5	175.5	-76.4	165.7	0	0	0	110	Y447 T637 E641 M674 A676	Y447-L639 HydrophobicContact CE1-CD1 3.92Å; T637-L639 HydrophobicContact CG2-CD1 4.45Å; T637-L639 HydrophobicContact CG2-CD2 4.39Å; T637-L639 HydrophobicContact CG2-CG 3.95Å; L639-E641 PolarHBondContact O-N 2.9Å; L639-M674 HydrophobicContact CB-CB 4.3Å; L639-M674 PolarHBondContact N-O 3.49Å; L639-M674 PolarHBondContact O-N 3.43Å; L639-A676 HydrophobicContact CD1-CB 4.41Å
640	D	96.7	Very high	95.5	Very high	19 Å²	19	25.6 Å²	25.6	10%	0.102	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	93.8	176.8	-173.7	-7.2	0	0	0	110.7	N604 V638 N642 K643 S644	N604-D640 PolarHBondContact OD1-N 3.37Å; V638-D640 PolarHBondContact O-N 3.02Å; V638-D640 VanDerWaalsContact O-N 3.15Å; D640-N642 PolarHBondContact O-N 3.07Å; D640-N642 VanDerWaalsContact O-N 3.13Å; D640-N642 WeakPolarHBondContact OD1-CA 3.48Å; D640-N642 WeakPolarHBondContact OD1-CB 3.49Å; D640-N642 VanDerWaalsContact OD1-CG 3.3Å; D640-N642 PolarHBondContact OD1-N 2.03Å; D640-N642 PolarHBondContact OD1-ND2 2.77Å; D640-K643 HydrophobicContact CB-CG 4.15Å; D640-K643 PolarHBondContact O-N 2.67Å; D640-K643 WeakPolarHBondContact OD2-CE 3.36Å; D640-K643 WeakPolarHBondContact OD2-CG 3.48Å; D640-S644 PolarHBondContact O-N 3.06Å
641	E	96.8	Very high	95.4	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.014	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10	177.4	-61.9	-78.8	-163.1	0	0	112.8	Y447 Y482 K484 L639 S644 S647 N672 M674	Y447-E641 WeakPolarHBondContact CE2-OE1 3.3Å; Y447-E641 PolarHBondContact OH-OE1 2.98Å; Y482-E641 WeakPolarHBondContact CB-OE1 3.36Å; Y482-E641 HydrophobicContact CD1-CB 3.81Å; Y482-E641 HydrophobicContact CD1-CG 3.71Å; Y482-E641 HydrophobicContact CD2-CG 4.18Å; Y482-E641 HydrophobicContact CE1-CB 3.75Å; Y482-E641 HydrophobicContact CE1-CG 3.88Å; Y482-E641 HydrophobicContact CE2-CG 4.3Å; Y482-E641 HydrophobicContact CG-CB 4.49Å; Y482-E641 HydrophobicContact CG-CG 3.89Å; K484-E641 WeakPolarHBondContact CD-OE1 3.43Å; K484-E641 IonicContact NZ-OE1 2.68Å; K484-E641 PolarHBondContact NZ-OE1 3.24Å; K484-E641 IonicContact NZ-OE2 3.1Å; K484-E641 PolarHBondContact NZ-OE2 3.01Å; L639-E641 PolarHBondContact O-N 2.9Å; E641-S644 WeakPolarHBondContact O-CB 3.18Å; E641-S644 WeakPolarHBondContact OE2-CB 3.33Å; E641-S644 PolarHBondContact OE2-OG 2.88Å; E641-S647 WeakPolarHBondContact O-CB 3.49Å; E641-N672 HydrophobicContact CB-CB 4.25Å; E641-N672 PolarHBondContact N-O 3.21Å; E641-M674 HydrophobicContact CG-CG 4.3Å
642	N	94.9	Very high	95.2	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.16	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.3	170	-49.8	-74.4	0	0	0	111.6	D640 Q669 N672	D640-N642 PolarHBondContact O-N 3.07Å; D640-N642 VanDerWaalsContact O-N 3.13Å; D640-N642 WeakPolarHBondContact OD1-CA 3.48Å; D640-N642 WeakPolarHBondContact OD1-CB 3.49Å; D640-N642 VanDerWaalsContact OD1-CG 3.3Å; D640-N642 PolarHBondContact OD1-N 2.03Å; D640-N642 PolarHBondContact OD1-ND2 2.77Å; N642-Q669 PolarHBondContact ND2-O 3.41Å; N642-N672 PolarHBondContact OD1-ND2 3.11Å
643	K	95.1	Very high	94.9	Very high	82 Å²	82	28.8 Å²	28.8	36%	0.357	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-16	176	-46.8	-53.7	176.9	-171.5	0	113.1	K601 N604 D640	K601-K643 VanDerWaalsContact CG-O 3.26Å; K601-K643 WeakPolarHBondContact CG-O 3.47Å; N604-K643 HydrophobicContact CB-CB 4.44Å; D640-K643 HydrophobicContact CB-CG 4.15Å; D640-K643 PolarHBondContact O-N 2.67Å; D640-K643 WeakPolarHBondContact OD2-CE 3.36Å; D640-K643 WeakPolarHBondContact OD2-CG 3.48Å
644	S	96.2	Very high	94.5	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	17%	0.173	C	C	.	.	S	Bend	trans	-55.4	136.2	176.5	-176.9	0	0	0	0	112	S605 D640 E641 Y646 S647	S605-S644 WeakPolarHBondContact OG-CA 3.26Å; S605-S644 PolarHBondContact OG-OG 2.91Å; D640-S644 PolarHBondContact O-N 3.06Å; E641-S644 WeakPolarHBondContact O-CB 3.18Å; E641-S644 WeakPolarHBondContact OE2-CB 3.33Å; E641-S644 PolarHBondContact OE2-OG 2.88Å; S644-Y646 PolarHBondContact O-N 2.83Å; S644-Y646 PolarHBondContact OG-N 3.44Å; S644-S647 VanDerWaalsContact O-CB 3.31Å; S644-S647 WeakPolarHBondContact O-CB 3.32Å; S644-S647 PolarHBondContact O-N 3.06Å
645	W	96.4	Very high	93.9	Very high	78 Å²	78	37.3 Å²	37.3	30%	0.295	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-26.3	171.3	-74.5	114	0	0	0	113.3	Q532 F534 D598 K601 D602 S605	Q532-W645 HydrophobicContact CG-CB 4.05Å; Q532-W645 HydrophobicContact CG-CD2 4Å; Q532-W645 HydrophobicContact CG-CE3 4.32Å; Q532-W645 HydrophobicContact CG-CG 3.91Å; F534-W645 AromaticContact CE1-CD1 3.82Å; F534-W645 AromaticContact CE1-NE1 3.83Å; D598-W645 HydrophobicContact CB-CZ2 3.66Å; K601-W645 HydrophobicContact CB-CD2 4.06Å; K601-W645 HydrophobicContact CB-CG 4.09Å; K601-W645 HydrophobicContact CB-CZ2 4.26Å; K601-W645 HydrophobicContact CD-CD2 3.78Å; K601-W645 HydrophobicContact CD-CE3 3.85Å; K601-W645 HydrophobicContact CD-CG 4.39Å; K601-W645 HydrophobicContact CD-CH2 4.11Å; K601-W645 HydrophobicContact CD-CZ2 4.05Å; K601-W645 HydrophobicContact CD-CZ3 4.01Å; D602-W645 PolarHBondContact OD1-NE1 3.19Å; S605-W645 PolarHBondContact OG-N 3.2Å
646	Y	96.2	Very high	93.3	Very high	13 Å²	13	38 Å²	38	5%	0.051	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.1	-177.3	-58.4	-75.2	0	0	0	114.2	E442 W483 V485 S644 N648 A649 N650	E442-Y646 HydrophobicContact CG-CE1 3.91Å; E442-Y646 VanDerWaalsContact CG-OH 3.27Å; E442-Y646 WeakPolarHBondContact CG-OH 3.29Å; E442-Y646 VanDerWaalsContact OE1-CE1 3.25Å; E442-Y646 WeakPolarHBondContact OE1-CE1 3.27Å; E442-Y646 PolarHBondContact OE1-OH 2.91Å; W483-Y646 HydrophobicContact CB-CD1 4.4Å; W483-Y646 HydrophobicContact CB-CG 4.31Å; W483-Y646 VanDerWaalsContact O-CB 3.29Å; W483-Y646 WeakPolarHBondContact O-CB 3.47Å; V485-Y646 HydrophobicContact CB-CE2 3.99Å; V485-Y646 HydrophobicContact CG1-CE2 4.06Å; S644-Y646 PolarHBondContact O-N 2.83Å; S644-Y646 PolarHBondContact OG-N 3.44Å; Y646-N648 PolarHBondContact O-N 2.86Å; Y646-A649 CarbonylContact O-C 3.5Å; Y646-A649 WeakPolarHBondContact O-CA 3.43Å; Y646-A649 WeakPolarHBondContact O-CB 3.42Å; Y646-A649 PolarHBondContact O-N 3.07Å; Y646-N650 VanDerWaalsContact O-CG 3.32Å; Y646-N650 PolarHBondContact O-N 3.06Å; Y646-N650 PolarHBondContact O-ND2 2.84Å
647	S	93.8	Very high	92.5	Very high	17 Å²	17	41.4 Å²	41.4	12%	0.119	23%	0.234	C	C	.	.	H	α-helix	trans	-47.1	-52.5	-179.1	177.7	0	0	0	0	113.1	E641 S644 A649 N650 Q651	E641-S647 WeakPolarHBondContact O-CB 3.49Å; S644-S647 VanDerWaalsContact O-CB 3.31Å; S644-S647 WeakPolarHBondContact O-CB 3.32Å; S644-S647 PolarHBondContact O-N 3.06Å; S647-A649 VanDerWaalsContact C-N 3.33Å; S647-A649 PolarHBondContact O-N 2.86Å; S647-N650 WeakPolarHBondContact O-CB 3.45Å; S647-N650 PolarHBondContact O-N 2.91Å; S647-N650 VanDerWaalsContact O-N 3.15Å; S647-Q651 WeakPolarHBondContact O-CG 3.41Å; S647-Q651 PolarHBondContact O-N 2.83Å; S647-Q651 PolarHBondContact OG-NE2 3.11Å
648	N	91.6	Very high	91.6	Very high	126 Å²	126	48.2 Å²	48.2	67%	0.674	26%	0.264	S	S	*	.	H	α-helix	trans	-63.2	-35.7	178	-69.5	-31.1	0	0	0	113.2	Y646 A652	Y646-N648 PolarHBondContact O-N 2.86Å; N648-A652 WeakPolarHBondContact O-CB 3.45Å; N648-A652 PolarHBondContact O-N 3.43Å; N648-A652 VanDerWaalsContact O-N 3.12Å
649	A	92.3	Very high	90.5	Very high	47 Å²	47	56.8 Å²	56.8	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-70.9	-34	176.4	0	0	0	0	0	111.6	Y646 S647 A653	Y646-A649 CarbonylContact O-C 3.5Å; Y646-A649 WeakPolarHBondContact O-CA 3.43Å; Y646-A649 WeakPolarHBondContact O-CB 3.42Å; Y646-A649 PolarHBondContact O-N 3.07Å; S647-A649 VanDerWaalsContact C-N 3.33Å; S647-A649 PolarHBondContact O-N 2.86Å; A649-A653 VanDerWaalsContact O-CB 3.24Å; A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 2.93Å
650	N	94.1	Very high	89.3	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-44.4	176.9	-69.4	-31.2	0	0	0	111.9	I478 Y482 W483 Y646 S647 A652 A653 A654	I478-N650 HydrophobicContact CD1-CB 4.11Å; Y482-N650 HydrophobicContact CD1-CB 4.11Å; W483-N650 VanDerWaalsContact CB-OD1 3.3Å; W483-N650 WeakPolarHBondContact CB-OD1 3.19Å; W483-N650 PolarHBondContact N-OD1 3.21Å; W483-N650 PolarHBondContact O-ND2 2.91Å; Y646-N650 VanDerWaalsContact O-CG 3.32Å; Y646-N650 PolarHBondContact O-N 3.06Å; Y646-N650 PolarHBondContact O-ND2 2.84Å; S647-N650 WeakPolarHBondContact O-CB 3.45Å; S647-N650 PolarHBondContact O-N 2.91Å; S647-N650 VanDerWaalsContact O-N 3.15Å; N650-A652 VanDerWaalsContact C-N 3.34Å; N650-A652 PolarHBondContact O-N 2.96Å; N650-A653 PolarHBondContact O-N 3.34Å; N650-A654 VanDerWaalsContact O-CB 3.32Å; N650-A654 WeakPolarHBondContact O-CB 3.23Å; N650-A654 PolarHBondContact O-N 2.63Å
651	Q	90.4	Very high	88.3	Confident	29 Å²	29	59.1 Å²	59.1	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-45.3	171.8	-66.1	172.5	42.1	0	0	111.6	I478 S647 A654 M655 L656 F668	I478-Q651 HydrophobicContact CD1-CG 4.23Å; S647-Q651 WeakPolarHBondContact O-CG 3.41Å; S647-Q651 PolarHBondContact O-N 2.83Å; S647-Q651 PolarHBondContact OG-NE2 3.11Å; Q651-A654 PolarHBondContact O-N 3.25Å; Q651-M655 PolarHBondContact O-N 3.08Å; Q651-L656 HydrophobicContact CB-CD1 3.98Å; Q651-L656 HydrophobicContact CG-CD1 3.95Å; Q651-F668 HydrophobicContact CG-CZ 4.01Å
652	A	89	Confident	87.1	Confident	72 Å²	72	63.1 Å²	63.1	60%	0.595	34%	0.335	S	S	*	.	H	α-helix	trans	-65.1	-41.9	176.9	0	0	0	0	0	112.8	N648 N650 A654 M655	N648-A652 WeakPolarHBondContact O-CB 3.45Å; N648-A652 PolarHBondContact O-N 3.43Å; N648-A652 VanDerWaalsContact O-N 3.12Å; N650-A652 VanDerWaalsContact C-N 3.34Å; N650-A652 PolarHBondContact O-N 2.96Å; A652-A654 VanDerWaalsContact C-N 3.29Å; A652-A654 PolarHBondContact O-N 3.01Å; A652-M655 PolarHBondContact O-N 2.82Å
653	A	89.5	Confident	86.2	Confident	55 Å²	55	68.9 Å²	68.9	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-24	176.8	0	0	0	0	0	113.3	A649 N650	A649-A653 VanDerWaalsContact O-CB 3.24Å; A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 2.93Å; N650-A653 PolarHBondContact O-N 3.34Å
654	A	86.9	Confident	85.6	Confident	11 Å²	11	67.9 Å²	67.9	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-81	-16.4	172.9	0	0	0	0	0	113.8	I478 N650 Q651 A652 L656	I478-A654 HydrophobicContact CB-CB 4.28Å; I478-A654 HydrophobicContact CG1-CB 3.98Å; I478-A654 HydrophobicContact CG2-CB 4.23Å; N650-A654 VanDerWaalsContact O-CB 3.32Å; N650-A654 WeakPolarHBondContact O-CB 3.23Å; N650-A654 PolarHBondContact O-N 2.63Å; Q651-A654 PolarHBondContact O-N 3.25Å; A652-A654 VanDerWaalsContact C-N 3.29Å; A652-A654 PolarHBondContact O-N 3.01Å; A654-L656 HydrophobicContact CB-CD1 4.45Å; A654-L656 HydrophobicContact CB-CD2 3.76Å; A654-L656 HydrophobicContact CB-CG 3.86Å
655	M	86.4	Confident	85	Confident	167 Å²	167	72.1 Å²	72.1	82%	0.823	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	44.9	-176.2	-54.7	-177.2	179.5	0	0	113.5	Q651 A652	Q651-M655 PolarHBondContact O-N 3.08Å; A652-M655 PolarHBondContact O-N 2.82Å
656	L	84.6	Confident	84.4	Confident	18 Å²	18	76 Å²	76	9%	0.094	40%	0.403	C	S	.	.			trans	-69.7	151	-178.7	-52.8	178.2	0	0	0	112.6	S475 I478 Q651 A654 L661 F668	S475-L656 CarbonylContact O-C 3.51Å; S475-L656 WeakPolarHBondContact O-CA 3.27Å; I478-L656 HydrophobicContact CG1-CD1 3.91Å; Q651-L656 HydrophobicContact CB-CD1 3.98Å; Q651-L656 HydrophobicContact CG-CD1 3.95Å; A654-L656 HydrophobicContact CB-CD1 4.45Å; A654-L656 HydrophobicContact CB-CD2 3.76Å; A654-L656 HydrophobicContact CB-CG 3.86Å; L656-L661 HydrophobicContact CB-CD1 3.83Å; L656-L661 HydrophobicContact CB-CG 4.45Å; L656-L661 HydrophobicContact CD1-CD1 3.94Å; L656-L661 HydrophobicContact CD1-CD2 4.2Å; L656-F668 HydrophobicContact CD1-CE2 3.87Å; L656-F668 HydrophobicContact CD1-CZ 4.34Å
657	D	81.8	Confident	84	Confident	73 Å²	73	76.3 Å²	76.3	39%	0.39	41%	0.41	S	S	.	.			trans	-93.9	114.6	168.9	-170.5	-22	0	0	0	109.7	S475 R659 L660 L661	S475-D657 PolarHBondContact O-N 2.84Å; D657-R659 PolarHBondContact O-N 3.01Å; D657-R659 WeakPolarHBondContact OD1-CB 3.47Å; D657-R659 PolarHBondContact OD1-N 2.94Å; D657-L660 HydrophobicContact CB-CD1 4.17Å; D657-L660 HydrophobicContact CB-CG 4.24Å; D657-L660 PolarHBondContact O-N 2.89Å; D657-L660 VanDerWaalsContact O-N 3.09Å; D657-L661 PolarHBondContact O-N 2.83Å; D657-L661 VanDerWaalsContact O-N 3.14Å
658	F	76.6	Confident	83.8	Confident	147 Å²	147	76.3 Å²	76.3	65%	0.645	41%	0.408	S	S	*	.	H	α-helix	trans	-57.1	-20.8	178.5	-67.3	-73.5	0	0	0	114.2	L661 S662	F658-L661 HydrophobicContact CD1-CD1 4.1Å; F658-S662 PolarHBondContact O-N 2.86Å; F658-S662 PolarHBondContact O-OG 2.91Å
659	R	74.4	Confident	83.8	Confident	190 Å²	190	73.6 Å²	73.6	72%	0.717	39%	0.391	S	S	*	.	H	α-helix	trans	-71.5	-46.3	174.5	-64.7	176.9	173.7	-173.2	-2.4	112	D657 L661 S662 E663	D657-R659 PolarHBondContact O-N 3.01Å; D657-R659 WeakPolarHBondContact OD1-CB 3.47Å; D657-R659 PolarHBondContact OD1-N 2.94Å; R659-L661 VanDerWaalsContact C-N 3.28Å; R659-L661 PolarHBondContact O-N 2.8Å; R659-S662 PolarHBondContact O-N 3.45Å; R659-S662 VanDerWaalsContact O-N 3.14Å; R659-S662 PolarHBondContact O-OG 3.37Å; R659-E663 PolarHBondContact O-N 3.36Å
660	L	72.7	Confident	83.8	Confident	57 Å²	57	73.6 Å²	73.6	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-70.1	-29.4	178.7	-59	176.5	0	0	0	111.2	S475 D657 S662 E663	S475-L660 WeakPolarHBondContact OG-CD1 3.39Å; D657-L660 HydrophobicContact CB-CD1 4.17Å; D657-L660 HydrophobicContact CB-CG 4.24Å; D657-L660 PolarHBondContact O-N 2.89Å; D657-L660 VanDerWaalsContact O-N 3.09Å; L660-S662 VanDerWaalsContact C-N 3.33Å; L660-E663 WeakPolarHBondContact CD2-OE2 3.38Å; L660-E663 PolarHBondContact O-N 2.79Å
661	L	73.7	Confident	83.8	Confident	18 Å²	18	73.5 Å²	73.5	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-66.1	-31.8	170.6	-72.6	170.8	0	0	0	113.1	L656 D657 F658 R659 E663 I665 F668	L656-L661 HydrophobicContact CB-CD1 3.83Å; L656-L661 HydrophobicContact CB-CG 4.45Å; L656-L661 HydrophobicContact CD1-CD1 3.94Å; L656-L661 HydrophobicContact CD1-CD2 4.2Å; D657-L661 PolarHBondContact O-N 2.83Å; D657-L661 VanDerWaalsContact O-N 3.14Å; F658-L661 HydrophobicContact CD1-CD1 4.1Å; R659-L661 VanDerWaalsContact C-N 3.28Å; R659-L661 PolarHBondContact O-N 2.8Å; L661-E663 VanDerWaalsContact C-N 3.3Å; L661-I665 VanDerWaalsContact O-CG1 3.28Å; L661-I665 WeakPolarHBondContact O-CG1 3.33Å; L661-F668 HydrophobicContact CD2-CB 4.08Å; L661-F668 HydrophobicContact CD2-CD1 3.97Å; L661-F668 HydrophobicContact CD2-CD2 3.37Å; L661-F668 HydrophobicContact CD2-CE1 4.26Å; L661-F668 HydrophobicContact CD2-CE2 3.7Å; L661-F668 HydrophobicContact CD2-CG 3.51Å; L661-F668 HydrophobicContact CD2-CZ 4.13Å
662	S	71.8	Confident	84	Confident	86 Å²	86	72.1 Å²	72.1	60%	0.601	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.9	175.2	55.8	0	0	0	0	114.7	F658 R659 L660	F658-S662 PolarHBondContact O-N 2.86Å; F658-S662 PolarHBondContact O-OG 2.91Å; R659-S662 PolarHBondContact O-N 3.45Å; R659-S662 VanDerWaalsContact O-N 3.14Å; R659-S662 PolarHBondContact O-OG 3.37Å; L660-S662 VanDerWaalsContact C-N 3.33Å
663	E	77.8	Confident	84.4	Confident	151 Å²	151	73.6 Å²	73.6	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-17	175.7	-70.4	171.6	179	0	0	112.6	R659 L660 L661	R659-E663 PolarHBondContact O-N 3.36Å; L660-E663 WeakPolarHBondContact CD2-OE2 3.38Å; L660-E663 PolarHBondContact O-N 2.79Å; L661-E663 VanDerWaalsContact C-N 3.3Å
664	D	80.8	Confident	84.7	Confident	62 Å²	62	71 Å²	71	33%	0.332	35%	0.346	S	S	.	.			trans	-155	78	-174.4	169.6	27.9	0	0	0	110	R477 G667 F668	R477-D664 IonicContact CZ-OD2 3.11Å; R477-D664 IonicContact NH1-OD2 3.5Å; R477-D664 PolarHBondContact NH1-OD2 3.04Å; R477-D664 IonicContact NH2-OD1 3.92Å; R477-D664 IonicContact NH2-OD2 3.53Å; R477-D664 PolarHBondContact NH2-OD2 2.95Å; D664-G667 WeakPolarHBondContact OD1-CA 3.36Å; D664-G667 PolarHBondContact OD1-N 3.26Å; D664-F668 WeakPolarHBondContact O-CB 3.35Å; D664-F668 PolarHBondContact O-N 3.31Å
665	I	84.7	Confident	85.2	Confident	94 Å²	94	71.7 Å²	71.7	48%	0.482	35%	0.348	S	S	.	.	H	α-helix	trans	-80	-45.4	-174.8	-67.8	173.1	0	0	0	111.2	L661 F668 Q669	L661-I665 VanDerWaalsContact O-CG1 3.28Å; L661-I665 WeakPolarHBondContact O-CG1 3.33Å; I665-F668 PolarHBondContact O-N 3.49Å; I665-Q669 WeakPolarHBondContact O-CG 3.32Å; I665-Q669 PolarHBondContact O-N 3.12Å
666	E	84.5	Confident	85.7	Confident	159 Å²	159	63.8 Å²	63.8	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-64.1	-53.3	178.8	-75.1	142.6	-129.6	0	0	111.2	F668 Q669 D670	E666-F668 PolarHBondContact O-N 2.86Å; E666-F668 VanDerWaalsContact O-N 3.15Å; E666-Q669 PolarHBondContact O-N 3.21Å; E666-D670 WeakPolarHBondContact O-CB 3.23Å; E666-D670 PolarHBondContact O-N 2.91Å
667	G	86.4	Confident	86.3	Confident	19 Å²	19	63 Å²	63	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-25.9	179.8	0	0	0	0	0	113.2	R477 D664 S671	R477-G667 PolarHBondContact NE-O 2.85Å; R477-G667 VanDerWaalsContact NE-O 3.14Å; R477-G667 PolarHBondContact NH2-O 3.08Å; D664-G667 WeakPolarHBondContact OD1-CA 3.36Å; D664-G667 PolarHBondContact OD1-N 3.26Å; G667-S671 WeakPolarHBondContact O-CB 3.28Å; G667-S671 PolarHBondContact O-N 2.68Å
668	F	90.9	Very high	87	Confident	18 Å²	18	59.5 Å²	59.5	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-52.4	167.2	172	-106.4	0	0	0	112	S476 I478 Q651 L656 L661 D664 I665 E666 D670 S671 N672	S476-F668 WeakPolarHBondContact O-CD2 3.35Å; I478-F668 HydrophobicContact CD1-CE2 4.07Å; I478-F668 HydrophobicContact CD1-CZ 4.17Å; I478-F668 HydrophobicContact CG1-CE2 4.22Å; Q651-F668 HydrophobicContact CG-CZ 4.01Å; L656-F668 HydrophobicContact CD1-CE2 3.87Å; L656-F668 HydrophobicContact CD1-CZ 4.34Å; L661-F668 HydrophobicContact CD2-CB 4.08Å; L661-F668 HydrophobicContact CD2-CD1 3.97Å; L661-F668 HydrophobicContact CD2-CD2 3.37Å; L661-F668 HydrophobicContact CD2-CE1 4.26Å; L661-F668 HydrophobicContact CD2-CE2 3.7Å; L661-F668 HydrophobicContact CD2-CG 3.51Å; L661-F668 HydrophobicContact CD2-CZ 4.13Å; D664-F668 WeakPolarHBondContact O-CB 3.35Å; D664-F668 PolarHBondContact O-N 3.31Å; I665-F668 PolarHBondContact O-N 3.49Å; E666-F668 PolarHBondContact O-N 2.86Å; E666-F668 VanDerWaalsContact O-N 3.15Å; F668-D670 VanDerWaalsContact C-N 3.29Å; F668-D670 PolarHBondContact O-N 3.02Å; F668-S671 PolarHBondContact O-N 2.92Å; F668-S671 VanDerWaalsContact O-N 3.16Å; F668-S671 PolarHBondContact O-OG 2.81Å; F668-N672 WeakPolarHBondContact CE1-ND2 3.26Å; F668-N672 VanDerWaalsContact CE2-ND2 3.3Å; F668-N672 WeakPolarHBondContact CE2-ND2 3.43Å; F668-N672 WeakPolarHBondContact CZ-ND2 3.44Å; F668-N672 PolarHBondContact O-N 2.82Å; F668-N672 PolarHBondContact O-ND2 3.13Å; F668-N672 VanDerWaalsContact O-ND2 3.12Å
669	Q	91.4	Very high	88	Confident	68 Å²	68	52.5 Å²	52.5	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-56.3	-45.6	178.7	-74.9	-175.4	67.7	0	0	111.5	N642 I665 E666 S671 N672 R673	N642-Q669 PolarHBondContact ND2-O 3.41Å; I665-Q669 WeakPolarHBondContact O-CG 3.32Å; I665-Q669 PolarHBondContact O-N 3.12Å; E666-Q669 PolarHBondContact O-N 3.21Å; Q669-S671 VanDerWaalsContact C-N 3.34Å; Q669-S671 PolarHBondContact O-N 2.85Å; Q669-N672 WeakPolarHBondContact O-CB 3.36Å; Q669-N672 PolarHBondContact O-N 3.33Å; Q669-N672 VanDerWaalsContact O-N 3.08Å; Q669-R673 PolarHBondContact O-N 2.79Å
670	D	91.2	Very high	89.1	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-33.8	178.8	-111.6	28.7	0	0	0	113.5	K469 E666 F668 N672 R673	K469-D670 WeakPolarHBondContact CE-OD2 3.38Å; K469-D670 IonicContact NZ-OD2 2.87Å; K469-D670 PolarHBondContact NZ-OD2 2.76Å; E666-D670 WeakPolarHBondContact O-CB 3.23Å; E666-D670 PolarHBondContact O-N 2.91Å; F668-D670 VanDerWaalsContact C-N 3.29Å; F668-D670 PolarHBondContact O-N 3.02Å; D670-N672 PolarHBondContact O-N 2.92Å; D670-R673 PolarHBondContact O-N 3.35Å; D670-R673 WeakPolarHBondContact OD1-CD 3.27Å; D670-R673 IonicContact OD1-CZ 2.73Å; D670-R673 IonicContact OD1-NE 3.8Å; D670-R673 IonicContact OD1-NH1 3.48Å; D670-R673 PolarHBondContact OD1-NH1 2.76Å
671	S	93.9	Very high	90.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-16.2	174.3	72.1	0	0	0	0	114.2	K469 R477 Y482 G667 F668 Q669	K469-S671 WeakPolarHBondContact O-CA 3.29Å; K469-S671 WeakPolarHBondContact O-CB 3.45Å; R477-S671 VanDerWaalsContact CD-CB 3.48Å; R477-S671 WeakPolarHBondContact CD-OG 3.32Å; Y482-S671 PolarHBondContact OH-O 3.27Å; G667-S671 WeakPolarHBondContact O-CB 3.28Å; G667-S671 PolarHBondContact O-N 2.68Å; F668-S671 PolarHBondContact O-N 2.92Å; F668-S671 VanDerWaalsContact O-N 3.16Å; F668-S671 PolarHBondContact O-OG 2.81Å; Q669-S671 VanDerWaalsContact C-N 3.34Å; Q669-S671 PolarHBondContact O-N 2.85Å
672	N	95.8	Very high	91.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.9	-178.7	-57.1	-33.3	0	0	0	112.7	Y482 E641 N642 F668 Q669 D670 M674	Y482-N672 PolarHBondContact OH-OD1 3.36Å; E641-N672 HydrophobicContact CB-CB 4.25Å; E641-N672 PolarHBondContact N-O 3.21Å; N642-N672 PolarHBondContact OD1-ND2 3.11Å; F668-N672 WeakPolarHBondContact CE1-ND2 3.26Å; F668-N672 VanDerWaalsContact CE2-ND2 3.3Å; F668-N672 WeakPolarHBondContact CE2-ND2 3.43Å; F668-N672 WeakPolarHBondContact CZ-ND2 3.44Å; F668-N672 PolarHBondContact O-N 2.82Å; F668-N672 PolarHBondContact O-ND2 3.13Å; F668-N672 VanDerWaalsContact O-ND2 3.12Å; Q669-N672 WeakPolarHBondContact O-CB 3.36Å; Q669-N672 PolarHBondContact O-N 3.33Å; Q669-N672 VanDerWaalsContact O-N 3.08Å; D670-N672 PolarHBondContact O-N 2.92Å; N672-M674 PolarHBondContact O-N 2.99Å
673	R	95.9	Very high	92.4	Very high	103 Å²	103	37.3 Å²	37.3	39%	0.389	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	98.9	172.9	-74.6	174.6	168	165.1	-15.6	109.4	F470 V638 Q669 D670 H675	F470-R673 WeakPolarHBondContact CD1-O 3.48Å; F470-R673 VanDerWaalsContact CE1-O 3.26Å; F470-R673 WeakPolarHBondContact CE1-O 2.99Å; V638-R673 HydrophobicContact CG1-CB 3.93Å; V638-R673 HydrophobicContact CG1-CG 4.5Å; Q669-R673 PolarHBondContact O-N 2.79Å; D670-R673 PolarHBondContact O-N 3.35Å; D670-R673 WeakPolarHBondContact OD1-CD 3.27Å; D670-R673 IonicContact OD1-CZ 2.73Å; D670-R673 IonicContact OD1-NE 3.8Å; D670-R673 IonicContact OD1-NH1 3.48Å; D670-R673 PolarHBondContact OD1-NH1 2.76Å; R673-H675 PolarHBondContact O-CD2 2.74Å; R673-H675 PolarHBondContact O-N 3.28Å
674	M	96.8	Very high	93.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	94.3	-169.5	-55.7	-59.2	-70.9	0	0	111.3	Y447 F470 F471 Y482 L639 E641 N672 A676 L681	Y447-M674 HydrophobicContact CD1-CB 3.93Å; Y447-M674 HydrophobicContact CD1-CE 4.08Å; Y447-M674 HydrophobicContact CD1-CG 4.36Å; Y447-M674 HydrophobicContact CD2-CE 3.64Å; Y447-M674 HydrophobicContact CD2-CG 4.22Å; Y447-M674 HydrophobicContact CE1-CB 3.55Å; Y447-M674 HydrophobicContact CE1-CG 4.05Å; Y447-M674 HydrophobicContact CE2-CB 4.33Å; Y447-M674 HydrophobicContact CE2-CE 4.27Å; Y447-M674 HydrophobicContact CE2-CG 3.88Å; Y447-M674 HydrophobicContact CG-CB 4.47Å; Y447-M674 HydrophobicContact CG-CE 3.53Å; Y447-M674 HydrophobicContact CG-CG 4.45Å; F470-M674 HydrophobicContact CB-CE 4.21Å; F470-M674 HydrophobicContact CB-SD 4.19Å; F470-M674 HydrophobicContact CD1-SD 4.31Å; F471-M674 HydrophobicContact CZ-CE 4.43Å; Y482-M674 HydrophobicContact CE2-CE 4.41Å; Y482-M674 HydrophobicContact CE2-CG 4.37Å; Y482-M674 HydrophobicContact CE2-SD 4.19Å; L639-M674 HydrophobicContact CB-CB 4.3Å; L639-M674 PolarHBondContact N-O 3.49Å; L639-M674 PolarHBondContact O-N 3.43Å; E641-M674 HydrophobicContact CG-CG 4.3Å; N672-M674 PolarHBondContact O-N 2.99Å; M674-A676 WeakPolarHBondContact O-CB 3.3Å; M674-A676 PolarHBondContact O-N 3Å; M674-L681 HydrophobicContact CB-CD1 4.11Å; M674-L681 HydrophobicContact CE-CD1 4.25Å; M674-L681 HydrophobicContact CE-CD2 3.84Å
675	H	97.1	Very high	93.9	Very high	26 Å²	26	27.9 Å²	27.9	12%	0.12	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	86.5	179.8	-65.4	-107.4	0	0	0	111.8	V638 R673 L681 H758 A761 M763	V638-H675 WeakPolarHBondContact CG2-ND1 3.4Å; R673-H675 PolarHBondContact O-CD2 2.74Å; R673-H675 PolarHBondContact O-N 3.28Å; H675-L681 WeakPolarHBondContact O-CG 3.18Å; H675-H758 AromaticContact ND1-CG 3.82Å; H675-H758 AromaticContact ND1-ND1 3.8Å; H675-A761 HydrophobicContact CB-CB 3.77Å; H675-A761 WeakPolarHBondContact CD2-CB 3.38Å; H675-A761 VanDerWaalsContact CG-CB 3.45Å; H675-M763 HydrophobicContact CB-CB 4.34Å; H675-M763 HydrophobicContact CB-CE 3.97Å
676	A	96.4	Very high	94.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.7	-161	0	0	0	0	0	114.9	Y447 T637 L639 M674 F680 L681	Y447-A676 HydrophobicContact CD1-CB 4.39Å; Y447-A676 HydrophobicContact CE1-CB 4.3Å; T637-A676 PolarHBondContact N-O 3.26Å; T637-A676 PolarHBondContact O-N 2.98Å; L639-A676 HydrophobicContact CD1-CB 4.41Å; M674-A676 WeakPolarHBondContact O-CB 3.3Å; M674-A676 PolarHBondContact O-N 3Å; A676-F680 WeakPolarHBondContact CA-O 3.49Å; A676-L681 HydrophobicContact CB-CD1 3.67Å
677	I	97.8	Very high	93.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.6	161.1	-54.7	176.8	0	0	0	107.6	L634 L635 F636 G679 F680 L685 M763 A765	L634-I677 HydrophobicContact CB-CG2 4.3Å; L634-I677 HydrophobicContact CD2-CG2 4.1Å; L635-I677 WeakPolarHBondContact O-CA 3.42Å; F636-I677 HydrophobicContact CD1-CD1 4.23Å; F636-I677 HydrophobicContact CD1-CG1 3.96Å; F636-I677 HydrophobicContact CE1-CD1 3.45Å; F636-I677 VanDerWaalsContact CE1-CD1 3.45Å; F636-I677 HydrophobicContact CE1-CG1 3.7Å; F636-I677 HydrophobicContact CE2-CG2 4.21Å; F636-I677 HydrophobicContact CZ-CD1 3.64Å; F636-I677 HydrophobicContact CZ-CG1 4.01Å; F636-I677 HydrophobicContact CZ-CG2 4.26Å; I677-G679 PolarHBondContact O-N 2.99Å; I677-G679 VanDerWaalsContact O-N 3.09Å; I677-F680 PolarHBondContact N-O 3.5Å; I677-F680 PolarHBondContact O-N 2.84Å; I677-L685 HydrophobicContact CG2-CD2 4.11Å; I677-M763 HydrophobicContact CD1-CG 4.3Å; I677-M763 HydrophobicContact CG1-CG 3.74Å; I677-A765 HydrophobicContact CD1-CB 3.91Å
678	N	97.3	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	30.7	-174	-73.5	-4.7	0	0	0	114.5	H506 L507 I509 L510 F633 L634 L635 L685	H506-N678 PolarHBondContact O-ND2 2.88Å; L507-N678 WeakPolarHBondContact O-CB 3.39Å; I509-N678 WeakPolarHBondContact CG2-O 3.3Å; I509-N678 PolarHBondContact N-O 3.15Å; L510-N678 VanDerWaalsContact CD1-OD1 3.22Å; L510-N678 WeakPolarHBondContact CD1-OD1 3.47Å; F633-N678 PolarHBondContact O-ND2 2.88Å; L634-N678 WeakPolarHBondContact CA-OD1 3.24Å; L635-N678 PolarHBondContact N-OD1 2.56Å; L635-N678 PolarHBondContact O-N 2.79Å; N678-L685 HydrophobicContact CB-CD1 3.79Å
679	G	96.4	Very high	94	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	13.2	-177	0	0	0	0	0	115.1	W445 Y447 I677	W445-G679 PolarHBondContact NE1-O 3.3Å; Y447-G679 WeakPolarHBondContact CD1-O 3.39Å; I677-G679 PolarHBondContact O-N 2.99Å; I677-G679 VanDerWaalsContact O-N 3.09Å
680	F	97.7	Very high	94.1	Very high	20 Å²	20	22.7 Å²	22.7	9%	0.088	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-117.2	143.8	173.9	-60.5	-73.2	0	0	0	112.2	W445 Y447 P449 A676 I677 N684 L685 P686	W445-F680 HydrophobicContact CH2-CE1 4.03Å; W445-F680 AromaticContact CH2-CE2 3.93Å; W445-F680 HydrophobicContact CH2-CE2 3.93Å; W445-F680 AromaticContact CH2-CZ 3.46Å; W445-F680 HydrophobicContact CH2-CZ 3.46Å; W445-F680 VanDerWaalsContact CH2-CZ 3.46Å; W445-F680 HydrophobicContact CZ2-CD1 4.22Å; W445-F680 HydrophobicContact CZ2-CD2 4.32Å; W445-F680 AromaticContact CZ2-CE1 3.66Å; W445-F680 HydrophobicContact CZ2-CE1 3.66Å; W445-F680 AromaticContact CZ2-CE2 3.82Å; W445-F680 HydrophobicContact CZ2-CE2 3.82Å; W445-F680 AromaticContact CZ2-CZ 3.46Å; W445-F680 HydrophobicContact CZ2-CZ 3.46Å; W445-F680 VanDerWaalsContact CZ2-CZ 3.46Å; Y447-F680 WeakPolarHBondContact O-CA 3.3Å; P449-F680 HydrophobicContact CG-CD1 4.04Å; P449-F680 HydrophobicContact CG-CE1 3.82Å; A676-F680 WeakPolarHBondContact CA-O 3.49Å; I677-F680 PolarHBondContact N-O 3.5Å; I677-F680 PolarHBondContact O-N 2.84Å; F680-N684 HydrophobicContact CB-CB 4.23Å; F680-N684 HydrophobicContact CD1-CB 4.38Å; F680-L685 HydrophobicContact CB-CB 4.4Å; F680-L685 HydrophobicContact CD2-CB 4.45Å; F680-L685 HydrophobicContact CD2-CD1 3.61Å; F680-L685 HydrophobicContact CE2-CD1 4.21Å; F680-P686 HydrophobicContact CE2-CG 4.39Å
681	L	96.2	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.			trans	-111	163.1	175.7	-88.9	69.4	0	0	0	110.6	Y447 F470 F471 M674 H675 A676 S683 N684	Y447-L681 HydrophobicContact CD1-CD1 3.67Å; Y447-L681 HydrophobicContact CE1-CD1 4.47Å; Y447-L681 HydrophobicContact CG-CD1 4.3Å; Y447-L681 PolarHBondContact O-N 2.85Å; F470-L681 HydrophobicContact CB-CD2 4.37Å; F470-L681 HydrophobicContact CG-CD2 4.37Å; F471-L681 HydrophobicContact CE2-CB 4.12Å; F471-L681 HydrophobicContact CE2-CD2 4.02Å; F471-L681 HydrophobicContact CZ-CB 4.22Å; M674-L681 HydrophobicContact CB-CD1 4.11Å; M674-L681 HydrophobicContact CE-CD1 4.25Å; M674-L681 HydrophobicContact CE-CD2 3.84Å; H675-L681 WeakPolarHBondContact O-CG 3.18Å; A676-L681 HydrophobicContact CB-CD1 3.67Å; L681-S683 PolarHBondContact O-N 2.78Å; L681-N684 VanDerWaalsContact O-CB 3.3Å; L681-N684 WeakPolarHBondContact O-CB 3.16Å; L681-N684 PolarHBondContact O-N 2.88Å; L681-N684 VanDerWaalsContact O-N 3.14Å; L681-N684 PolarHBondContact O-ND2 3.44Å
682	F	95.6	Very high	93.9	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.031	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	57.5	170.9	-59.8	-73.8	0	0	0	112.7	D453 G454 L460 F470 F471 N684 E760 A761 G762	D453-F682 WeakPolarHBondContact CA-O 3.34Å; D453-F682 HydrophobicContact CB-CB 4Å; D453-F682 VanDerWaalsContact OD1-O 3.12Å; G454-F682 PolarHBondContact N-O 3.34Å; L460-F682 HydrophobicContact CD2-CB 3.63Å; L460-F682 HydrophobicContact CD2-CD2 3.74Å; L460-F682 HydrophobicContact CD2-CG 3.8Å; F470-F682 HydrophobicContact CD2-CE2 4.2Å; F470-F682 HydrophobicContact CD2-CZ 4.28Å; F471-F682 HydrophobicContact CD2-CD2 4.34Å; F471-F682 HydrophobicContact CD2-CE2 4.28Å; F471-F682 AromaticContact CE2-CD2 3.81Å; F471-F682 HydrophobicContact CE2-CD2 3.81Å; F471-F682 AromaticContact CE2-CE2 3.99Å; F471-F682 HydrophobicContact CE2-CE2 3.99Å; F682-N684 PolarHBondContact O-N 3.1Å; F682-N684 PolarHBondContact O-ND2 2.86Å; F682-E760 WeakPolarHBondContact CE1-O 3.4Å; F682-A761 VanDerWaalsContact CZ-O 3.27Å; F682-A761 WeakPolarHBondContact CZ-O 3.16Å; F682-G762 PolarHBondContact N-O 2.82Å
683	S	94.9	Very high	93.6	Very high	5 Å²	5	26 Å²	26	4%	0.035	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.6	175.3	-65.8	0	0	0	0	116.1	L681 L685 R764	L681-S683 PolarHBondContact O-N 2.78Å; S683-L685 VanDerWaalsContact C-N 3.31Å; S683-L685 PolarHBondContact O-N 2.99Å; S683-R764 VanDerWaalsContact CA-O 3.27Å; S683-R764 WeakPolarHBondContact CA-O 3.28Å; S683-R764 PolarHBondContact N-O 2.89Å; S683-R764 WeakPolarHBondContact OG-CD 3.34Å; S683-R764 WeakPolarHBondContact OG-CG 3.25Å
684	N	95.5	Very high	93.4	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.114	C	C	.	.			trans	-81.2	-3.1	177.3	-84	-118	0	0	0	114.5	G448 P449 M450 H452 F680 L681 F682	G448-N684 VanDerWaalsContact CA-OD1 3.31Å; G448-N684 WeakPolarHBondContact CA-OD1 3.42Å; P449-N684 WeakPolarHBondContact CD-OD1 3.29Å; P449-N684 HydrophobicContact CG-CB 4.29Å; M450-N684 VanDerWaalsContact CB-OD1 3.23Å; M450-N684 WeakPolarHBondContact CB-OD1 3.43Å; M450-N684 PolarHBondContact N-OD1 3.43Å; H452-N684 PolarHBondContact O-ND2 2.95Å; F680-N684 HydrophobicContact CB-CB 4.23Å; F680-N684 HydrophobicContact CD1-CB 4.38Å; L681-N684 VanDerWaalsContact O-CB 3.3Å; L681-N684 WeakPolarHBondContact O-CB 3.16Å; L681-N684 PolarHBondContact O-N 2.88Å; L681-N684 VanDerWaalsContact O-N 3.14Å; L681-N684 PolarHBondContact O-ND2 3.44Å; F682-N684 PolarHBondContact O-N 3.1Å; F682-N684 PolarHBondContact O-ND2 2.86Å
685	L	95.3	Very high	93.2	Very high	10 Å²	10	23 Å²	23	5%	0.052	12%	0.122	C	C	.	.			trans	-61.4	123.1	178.7	-175.6	73.3	0	0	0	111.3	H506 L634 I677 N678 F680 S683 R687 L688 A765	H506-L685 WeakPolarHBondContact O-CD1 3.38Å; L634-L685 HydrophobicContact CD2-CD2 3.83Å; I677-L685 HydrophobicContact CG2-CD2 4.11Å; N678-L685 HydrophobicContact CB-CD1 3.79Å; F680-L685 HydrophobicContact CB-CB 4.4Å; F680-L685 HydrophobicContact CD2-CB 4.45Å; F680-L685 HydrophobicContact CD2-CD1 3.61Å; F680-L685 HydrophobicContact CE2-CD1 4.21Å; S683-L685 VanDerWaalsContact C-N 3.31Å; S683-L685 PolarHBondContact O-N 2.99Å; L685-R687 PolarHBondContact O-N 3.2Å; L685-L688 HydrophobicContact CD2-CD1 3.71Å; L685-L688 HydrophobicContact CD2-CD2 4.35Å; L685-L688 HydrophobicContact CD2-CG 4.06Å; L685-A765 HydrophobicContact CB-CB 3.76Å; L685-A765 HydrophobicContact CD2-CB 3.52Å; L685-A765 HydrophobicContact CG-CB 4.28Å
686	P	88.9	Confident	93.1	Very high	36 Å²	36	21.8 Å²	21.8	23%	0.234	12%	0.117	C	C	.	.			trans	-80.7	121.1	-172.9	30	-35	0	0	0	114	F680	F680-P686 HydrophobicContact CE2-CG 4.39Å
687	R	74.8	Confident	93.1	Very high	141 Å²	141	21.8 Å²	21.8	53%	0.532	12%	0.117	S	C	.	.			trans	56.1	80.2	161.6	-65.4	-169.3	-171.6	162.5	-2.6	116.7	E502 L685 D689	E502-R687 IonicContact OE1-CZ 2.97Å; E502-R687 IonicContact OE1-NH1 3.47Å; E502-R687 PolarHBondContact OE1-NH1 2.75Å; L685-R687 PolarHBondContact O-N 3.2Å; R687-D689 VanDerWaalsContact C-N 3.31Å; R687-D689 WeakPolarHBondContact CB-OD2 3.08Å; R687-D689 WeakPolarHBondContact CG-OD2 3.15Å; R687-D689 PolarHBondContact O-N 2.98Å
688	L	92.4	Very high	93	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	65.2	158.4	-59.6	175.1	0	0	0	110.1	H506 F632 L634 L685 W698 I751 Y767 N768	H506-L688 HydrophobicContact CB-CD2 3.92Å; F632-L688 HydrophobicContact CB-CD2 4.43Å; F632-L688 HydrophobicContact CD1-CD2 3.47Å; F632-L688 VanDerWaalsContact CD1-CD2 3.47Å; F632-L688 HydrophobicContact CE1-CD2 3.79Å; F632-L688 HydrophobicContact CG-CD2 3.98Å; L634-L688 HydrophobicContact CD2-CD2 4.37Å; L685-L688 HydrophobicContact CD2-CD1 3.71Å; L685-L688 HydrophobicContact CD2-CD2 4.35Å; L685-L688 HydrophobicContact CD2-CG 4.06Å; L688-W698 HydrophobicContact CB-CH2 4.43Å; L688-W698 HydrophobicContact CD1-CH2 4.12Å; L688-W698 HydrophobicContact CD1-CZ3 3.92Å; L688-W698 HydrophobicContact CD2-CZ3 4.24Å; L688-I751 HydrophobicContact CD1-CG2 4.23Å; L688-Y767 WeakPolarHBondContact O-CA 3.48Å; L688-Y767 WeakPolarHBondContact O-CB 3.34Å; L688-N768 PolarHBondContact O-N 3.07Å
689	D	92.5	Very high	93	Very high	69 Å²	69	21.8 Å²	21.8	37%	0.369	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.4	-177.9	-70.3	-63.4	0	0	0	112	R687 N768	R687-D689 VanDerWaalsContact C-N 3.31Å; R687-D689 WeakPolarHBondContact CB-OD2 3.08Å; R687-D689 WeakPolarHBondContact CG-OD2 3.15Å; R687-D689 PolarHBondContact O-N 2.98Å; D689-N768 PolarHBondContact OD1-ND2 3.02Å
690	M	93.1	Very high	93.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	168.6	177.9	67.1	-163.4	69.2	0	0	112.3	F632 V696 W698 P743 Y767 N768 V769 S770	F632-M690 HydrophobicContact CD2-CE 4.44Å; F632-M690 HydrophobicContact CE2-CE 3.72Å; F632-M690 HydrophobicContact CZ-CE 4.34Å; M690-V696 HydrophobicContact CB-CG2 4.36Å; M690-V696 HydrophobicContact SD-CG2 4.03Å; M690-W698 HydrophobicContact CE-CH2 3.63Å; M690-W698 HydrophobicContact CE-CZ2 3.42Å; M690-W698 VanDerWaalsContact CE-CZ2 3.42Å; M690-W698 HydrophobicContact SD-CZ2 4.35Å; M690-P743 HydrophobicContact CG-CG 4.19Å; M690-P743 HydrophobicContact SD-CB 4.27Å; M690-P743 HydrophobicContact SD-CG 3.94Å; M690-Y767 HydrophobicContact CE-CD2 3.63Å; M690-Y767 HydrophobicContact CE-CG 4.19Å; M690-Y767 HydrophobicContact SD-CD2 3.94Å; M690-Y767 HydrophobicContact SD-CE2 4.35Å; M690-N768 PolarHBondContact N-O 2.94Å; M690-V769 HydrophobicContact CG-CB 4.49Å; M690-V769 HydrophobicContact CG-CG2 4Å; M690-V769 HydrophobicContact SD-CG2 4.11Å; M690-S770 PolarHBondContact O-N 3.1Å; M690-S770 PolarHBondContact O-OG 3.47Å; M690-S770 VanDerWaalsContact O-OG 3.07Å
691	C	92.6	Very high	93.1	Very high	26 Å²	26	20.8 Å²	20.8	18%	0.176	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.7	177.7	-55.6	0	0	0	0	111.6	G693 D694 S770 C772	C691-G693 PolarHBondContact O-N 3.41Å; C691-D694 WeakPolarHBondContact CA-OD2 3.17Å; C691-D694 WeakPolarHBondContact CB-OD1 3.47Å; C691-D694 VanDerWaalsContact CB-OD2 3.28Å; C691-D694 WeakPolarHBondContact CB-OD2 3.37Å; C691-D694 PolarHBondContact N-OD2 3.25Å; C691-D694 WeakPolarHBondContact O-CB 3.42Å; C691-D694 VanDerWaalsContact O-CG 3.24Å; C691-D694 PolarHBondContact O-N 2.77Å; C691-D694 VanDerWaalsContact O-N 3.12Å; C691-S770 CarbonylContact C-O 3.44Å; C691-S770 WeakPolarHBondContact CA-O 3.24Å; C691-C772 HydrophobicContact CB-CB 3.49Å; C691-C772 VanDerWaalsContact CB-CB 3.49Å; C691-C772 WeakPolarHBondContact CB-SG 3.42Å; C691-C772 WeakPolarHBondContact SG-CB 3.43Å; C691-C772 CovalentContact SG-SG 2.02Å; C691-C772 PolarHBondContact SG-SG 3.29Å
692	K	89.9	Confident	93.1	Very high	54 Å²	54	20.8 Å²	20.8	24%	0.235	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	124.4	172.6	170	160.9	177.9	159	0	110.9	D744 L746 V769 S770	K692-D744 WeakPolarHBondContact CE-O 3.17Å; K692-D744 PolarHBondContact NZ-O 3.48Å; K692-L746 HydrophobicContact CB-CD2 3.73Å; K692-L746 HydrophobicContact CD-CD1 4.26Å; K692-L746 HydrophobicContact CD-CD2 3.86Å; K692-L746 HydrophobicContact CD-CG 3.81Å; K692-L746 HydrophobicContact CG-CD2 4.44Å; K692-V769 HydrophobicContact CB-CG1 4.02Å; K692-S770 PolarHBondContact N-O 3.37Å
693	G	87.7	Confident	93	Very high	38 Å²	38	20.7 Å²	20.7	39%	0.392	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-2.6	-178.5	0	0	0	0	0	115.9	C691 P743	C691-G693 PolarHBondContact O-N 3.41Å; G693-P743 PolarHBondContact N-O 3.11Å; G693-P743 VanDerWaalsContact N-O 3.09Å
694	D	92.6	Very high	92.9	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.064	11%	0.112	C	C	.	.			trans	-59.8	149.5	169.8	-72.3	-5.7	0	0	0	111	D629 C691 V696 Q742 P743 H775	D629-D694 HydrophobicContact CB-CB 3.99Å; C691-D694 WeakPolarHBondContact CA-OD2 3.17Å; C691-D694 WeakPolarHBondContact CB-OD1 3.47Å; C691-D694 VanDerWaalsContact CB-OD2 3.28Å; C691-D694 WeakPolarHBondContact CB-OD2 3.37Å; C691-D694 PolarHBondContact N-OD2 3.25Å; C691-D694 WeakPolarHBondContact O-CB 3.42Å; C691-D694 VanDerWaalsContact O-CG 3.24Å; C691-D694 PolarHBondContact O-N 2.77Å; C691-D694 VanDerWaalsContact O-N 3.12Å; D694-V696 HydrophobicContact CB-CG2 3.92Å; D694-Q742 WeakPolarHBondContact O-CA 3.5Å; D694-P743 VanDerWaalsContact O-CD 3.24Å; D694-P743 WeakPolarHBondContact O-CD 3.26Å; D694-H775 IonicContact OD1-CE1 3.31Å; D694-H775 PolarHBondContact OD1-CE1 3.47Å; D694-H775 IonicContact OD1-ND1 2.79Å
695	T	93.7	Very high	92.8	Very high	30 Å²	30	22.4 Å²	22.4	18%	0.184	12%	0.123	C	C	.	.			trans	-90.7	109.5	162.5	-59.5	0	0	0	0	108.9	D629 K630 I740 Q742	D629-T695 PolarHBondContact N-O 2.99Å; D629-T695 PolarHBondContact OD2-N 2.91Å; K630-T695 PolarHBondContact N-O 3.1Å; T695-I740 HydrophobicContact CG2-CG2 4.23Å; T695-Q742 PolarHBondContact OG1-NE2 3.19Å
696	V	94.9	Very high	92.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	-174.3	-174.2	0	0	0	0	109.7	K630 F632 M690 D694 W698 M741 P743	K630-V696 HydrophobicContact CB-CG1 4.19Å; K630-V696 HydrophobicContact CB-CG2 4.31Å; K630-V696 CarbonylContact O-C 3.57Å; K630-V696 WeakPolarHBondContact O-CA 3.21Å; F632-V696 HydrophobicContact CD2-CG1 3.67Å; F632-V696 HydrophobicContact CE2-CG1 3.81Å; M690-V696 HydrophobicContact CB-CG2 4.36Å; M690-V696 HydrophobicContact SD-CG2 4.03Å; D694-V696 HydrophobicContact CB-CG2 3.92Å; V696-W698 HydrophobicContact CG1-CD2 4.42Å; V696-W698 HydrophobicContact CG1-CZ2 4.31Å; V696-M741 HydrophobicContact CB-CB 4.4Å; V696-M741 PolarHBondContact N-O 2.94Å; V696-M741 PolarHBondContact O-N 3.09Å; V696-P743 HydrophobicContact CG2-CG 4.4Å
697	A	95.4	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120	171.7	0	0	0	0	0	110.2	V628 K630 E631 F632 M738 I740	V628-A697 HydrophobicContact CG1-CB 3.69Å; V628-A697 HydrophobicContact CG2-CB 4.32Å; K630-A697 PolarHBondContact O-N 3.16Å; E631-A697 WeakPolarHBondContact CA-O 3.3Å; F632-A697 PolarHBondContact N-O 2.74Å; A697-M738 HydrophobicContact CB-CE 3.64Å; A697-I740 HydrophobicContact CB-CD1 4.2Å
698	W	96.4	Very high	93.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.3	172.1	-58.2	94.2	0	0	0	109	F632 L634 L688 M690 V696 L700 F714 M738 A739 Y767	F632-W698 HydrophobicContact CB-CD2 4.44Å; F632-W698 HydrophobicContact CB-CE3 3.64Å; F632-W698 HydrophobicContact CB-CZ3 3.83Å; F632-W698 HydrophobicContact CD2-CD2 4.36Å; F632-W698 HydrophobicContact CD2-CE3 4.03Å; F632-W698 AromaticContact CD2-CH2 3.98Å; F632-W698 HydrophobicContact CD2-CH2 3.98Å; F632-W698 HydrophobicContact CD2-CZ2 4.31Å; F632-W698 AromaticContact CD2-CZ3 3.81Å; F632-W698 HydrophobicContact CD2-CZ3 3.81Å; F632-W698 HydrophobicContact CE2-CH2 4.42Å; F632-W698 HydrophobicContact CG-CE3 4.16Å; F632-W698 AromaticContact CG-CZ3 3.95Å; F632-W698 HydrophobicContact CG-CZ3 3.95Å; L634-W698 HydrophobicContact CD1-CE3 3.89Å; L634-W698 HydrophobicContact CD1-CZ3 3.91Å; L688-W698 HydrophobicContact CB-CH2 4.43Å; L688-W698 HydrophobicContact CD1-CH2 4.12Å; L688-W698 HydrophobicContact CD1-CZ3 3.92Å; L688-W698 HydrophobicContact CD2-CZ3 4.24Å; M690-W698 HydrophobicContact CE-CH2 3.63Å; M690-W698 HydrophobicContact CE-CZ2 3.42Å; M690-W698 VanDerWaalsContact CE-CZ2 3.42Å; M690-W698 HydrophobicContact SD-CZ2 4.35Å; V696-W698 HydrophobicContact CG1-CD2 4.42Å; V696-W698 HydrophobicContact CG1-CZ2 4.31Å; W698-L700 HydrophobicContact CB-CD2 4.21Å; W698-L700 HydrophobicContact CB-CG 4.36Å; W698-F714 HydrophobicContact CB-CZ 4.31Å; W698-F714 AromaticContact CD2-CE1 3.67Å; W698-F714 HydrophobicContact CD2-CE1 3.67Å; W698-F714 HydrophobicContact CD2-CZ 4.12Å; W698-F714 AromaticContact CE2-CE1 3.59Å; W698-F714 HydrophobicContact CE3-CE1 4.14Å; W698-F714 AromaticContact CG-CE1 3.95Å; W698-F714 HydrophobicContact CG-CE1 3.95Å; W698-F714 AromaticContact CG-CZ 3.99Å; W698-F714 HydrophobicContact CG-CZ 3.99Å; W698-F714 HydrophobicContact CH2-CE1 4.41Å; W698-F714 HydrophobicContact CZ2-CD1 4.43Å; W698-F714 AromaticContact CZ2-CE1 3.96Å; W698-F714 HydrophobicContact CZ2-CE1 3.96Å; W698-F714 HydrophobicContact CZ3-CE1 4.5Å; W698-F714 AromaticContact NE1-CE1 3.84Å; W698-M738 WeakPolarHBondContact O-CA 3.47Å; W698-A739 HydrophobicContact CB-CB 4.22Å; W698-A739 PolarHBondContact N-O 2.96Å; W698-A739 PolarHBondContact O-N 2.87Å; W698-Y767 HydrophobicContact CH2-CG 4.34Å
699	H	97.1	Very high	93.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.4	176.3	-66.6	-80.7	0	0	0	107.8	T590 L612 Q625 F632 F633 L634	T590-H699 HydrophobicContact CG2-CB 3.86Å; T590-H699 PolarHBondContact OG1-ND1 3.44Å; L612-H699 VanDerWaalsContact CD1-CE1 3.41Å; L612-H699 WeakPolarHBondContact CD1-CE1 3.48Å; Q625-H699 PolarHBondContact NE2-CE1 2.84Å; Q625-H699 PolarHBondContact NE2-NE2 2.75Å; F632-H699 PolarHBondContact O-N 2.76Å; F633-H699 CarbonylContact C-O 3.54Å; F633-H699 VanDerWaalsContact CA-O 3.31Å; F633-H699 WeakPolarHBondContact CA-O 3.34Å; F633-H699 HydrophobicContact CB-CB 4.44Å; F633-H699 HydrophobicContact CD1-CB 3.29Å; F633-H699 AromaticContact CD1-CG 3.77Å; F633-H699 HydrophobicContact CE1-CB 3.54Å; F633-H699 AromaticContact CE1-CD2 3.64Å; F633-H699 AromaticContact CE1-CG 3.43Å; F633-H699 VanDerWaalsContact CE1-CG 3.43Å; F633-H699 HydrophobicContact CG-CB 3.94Å; F633-H699 HydrophobicContact CZ-CB 4.34Å; F633-H699 AromaticContact CZ-CD2 3.61Å; F633-H699 AromaticContact CZ-CG 3.92Å; L634-H699 PolarHBondContact N-O 3.24Å
700	L	97.4	Very high	93.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.3	-171.9	-55.9	179.1	0	0	0	109.6	L634 F636 W698 V712 F714 A729 L731 F736 V737	L634-L700 HydrophobicContact CB-CD2 3.98Å; L634-L700 HydrophobicContact CD1-CD2 4.09Å; L634-L700 HydrophobicContact CG-CD2 4.4Å; L634-L700 CarbonylContact O-C 3.41Å; L634-L700 WeakPolarHBondContact O-CA 3.33Å; F636-L700 HydrophobicContact CE2-CD2 4.28Å; W698-L700 HydrophobicContact CB-CD2 4.21Å; W698-L700 HydrophobicContact CB-CG 4.36Å; L700-V712 HydrophobicContact CD1-CB 4.24Å; L700-V712 HydrophobicContact CD1-CG1 4.07Å; L700-V712 HydrophobicContact CD2-CG1 4.45Å; L700-F714 HydrophobicContact CD1-CE2 4.39Å; L700-F714 HydrophobicContact CD1-CZ 4.33Å; L700-A729 HydrophobicContact CD1-CB 3.6Å; L700-L731 HydrophobicContact CB-CD1 4.05Å; L700-L731 HydrophobicContact CB-CD2 3.84Å; L700-L731 HydrophobicContact CB-CG 4.48Å; L700-F736 CarbonylContact O-C 3.6Å; L700-F736 VanDerWaalsContact O-CA 3.29Å; L700-F736 WeakPolarHBondContact O-CA 3.29Å; L700-V737 HydrophobicContact CB-CB 4.35Å; L700-V737 PolarHBondContact N-O 2.83Å; L700-V737 PolarHBondContact O-N 2.9Å
701	L	97.4	Very high	93.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.8	-176.7	-56.3	174.6	0	0	0	110.2	T590 M592 P610 L634 L635 F636 F736	T590-L701 HydrophobicContact CG2-CD2 3.67Å; M592-L701 HydrophobicContact CB-CD1 4.27Å; M592-L701 HydrophobicContact CB-CD2 4.2Å; P610-L701 HydrophobicContact CB-CD1 4.19Å; L634-L701 PolarHBondContact O-N 3.09Å; L635-L701 WeakPolarHBondContact CA-O 3.47Å; L635-L701 HydrophobicContact CB-CB 4.34Å; L635-L701 HydrophobicContact CD1-CB 3.74Å; F636-L701 PolarHBondContact N-O 2.83Å; L701-F736 HydrophobicContact CD2-CB 3.82Å
702	G	96.4	Very high	93.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.1	172.8	0	0	0	0	0	112.9	F732 H734 T735	G702-F732 CarbonylContact C-O 3.59Å; G702-H734 WeakPolarHBondContact O-CA 3.44Å; G702-H734 PolarHBondContact O-N 2.86Å; G702-T735 PolarHBondContact N-O 3.22Å
703	L	94.4	Very high	94	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.026	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.1	175.4	-79.4	-179.8	0	0	0	110.8	M592 T603 V608 L635 F636 T637 D708 H734	M592-L703 HydrophobicContact CE-CD2 3.66Å; M592-L703 HydrophobicContact CE-CG 4.47Å; M592-L703 HydrophobicContact SD-CD1 4.37Å; M592-L703 HydrophobicContact SD-CD2 4.02Å; M592-L703 HydrophobicContact SD-CG 4.21Å; T603-L703 HydrophobicContact CG2-CD1 4.35Å; V608-L703 HydrophobicContact CB-CD1 4.14Å; V608-L703 HydrophobicContact CG1-CD1 3.63Å; V608-L703 HydrophobicContact CG2-CD1 3.35Å; L635-L703 HydrophobicContact CD1-CB 4.05Å; L635-L703 HydrophobicContact CD1-CD1 3.91Å; L635-L703 HydrophobicContact CD1-CG 3.88Å; L635-L703 HydrophobicContact CD2-CD1 4.23Å; F636-L703 PolarHBondContact O-N 3.28Å; T637-L703 WeakPolarHBondContact CA-O 3.5Å; T637-L703 WeakPolarHBondContact CB-O 3.24Å; T637-L703 PolarHBondContact OG1-O 2.73Å; L703-D708 VanDerWaalsContact O-CG 3.3Å; L703-D708 VanDerWaalsContact O-OD1 3.11Å; L703-H734 WeakPolarHBondContact CD2-CD2 3.4Å; L703-H734 VanDerWaalsContact CD2-NE2 3.35Å; L703-H734 WeakPolarHBondContact CD2-NE2 3.24Å
704	G	92.9	Very high	94.3	Very high	4 Å²	4	9.8 Å²	9.8	4%	0.041	6%	0.056	C	C	.	.	S	Bend	trans	141.8	-135	166.9	0	0	0	0	0	115.1	N404 D708	N404-G704 WeakPolarHBondContact CB-O 3.48Å; N404-G704 PolarHBondContact N-O 3.46Å; N404-G704 PolarHBondContact ND2-O 3.36Å; G704-D708 VanDerWaalsContact CA-OD2 3.26Å; G704-D708 WeakPolarHBondContact CA-OD2 3.33Å
705	T	92.8	Very high	94	Very high	42 Å²	42	10.7 Å²	10.7	26%	0.258	6%	0.06	S	C	.	.	S	Bend	trans	-103.6	-177.1	-176.9	39.9	0	0	0	0	112.1	V403 N404 T707 D708 P733	V403-T705 VanDerWaalsContact CG1-C 3.45Å; N404-T705 HydrophobicContact CB-CG2 3.94Å; T705-T707 PolarHBondContact O-N 2.58Å; T705-T707 PolarHBondContact OG1-OG1 3.48Å; T705-D708 PolarHBondContact N-OD2 3.08Å; T705-D708 WeakPolarHBondContact O-CB 3.38Å; T705-D708 PolarHBondContact O-N 2.98Å; T705-D708 PolarHBondContact OG1-OD2 3.14Å; T705-P733 VanDerWaalsContact O-CG 3.32Å; T705-P733 WeakPolarHBondContact O-CG 3.42Å
706	E	88.3	Confident	93.6	Very high	52 Å²	52	10.3 Å²	10.3	24%	0.243	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.8	175.7	56.8	-67.6	152.1	0	0	112.3	V403 S405 D708	V403-E706 HydrophobicContact CG1-CB 4.19Å; S405-E706 WeakPolarHBondContact CB-OE2 3.35Å; S405-E706 PolarHBondContact OG-OE2 3.03Å; E706-D708 VanDerWaalsContact C-N 3.29Å; E706-D708 PolarHBondContact O-N 3.41Å
707	T	89.4	Confident	93.3	Very high	51 Å²	51	10.6 Å²	10.6	31%	0.313	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.3	174.5	52.1	0	0	0	0	115.3	T705 V709 H758 D1050	T705-T707 PolarHBondContact O-N 2.58Å; T705-T707 PolarHBondContact OG1-OG1 3.48Å; T707-V709 PolarHBondContact O-N 2.67Å; T707-H758 PolarHBondContact O-CE1 3.45Å; T707-H758 PolarHBondContact O-NE2 3.01Å; T707-D1050 WeakPolarHBondContact CB-OD2 3.46Å; T707-D1050 WeakPolarHBondContact O-CB 3.21Å
708	D	94.3	Very high	93.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.067	C	C	.	.			trans	-79.4	55.2	-178.3	-82	-88.8	0	0	0	112.5	T637 V638 L703 G704 T705 E706 H710 P733	T637-D708 WeakPolarHBondContact CA-OD1 3.35Å; V638-D708 PolarHBondContact N-OD1 2.84Å; L703-D708 VanDerWaalsContact O-CG 3.3Å; L703-D708 VanDerWaalsContact O-OD1 3.11Å; G704-D708 VanDerWaalsContact CA-OD2 3.26Å; G704-D708 WeakPolarHBondContact CA-OD2 3.33Å; T705-D708 PolarHBondContact N-OD2 3.08Å; T705-D708 WeakPolarHBondContact O-CB 3.38Å; T705-D708 PolarHBondContact O-N 2.98Å; T705-D708 PolarHBondContact OG1-OD2 3.14Å; E706-D708 VanDerWaalsContact C-N 3.29Å; E706-D708 PolarHBondContact O-N 3.41Å; D708-H710 WeakPolarHBondContact CA-NE2 3.14Å; D708-H710 VanDerWaalsContact CB-NE2 3.3Å; D708-H710 WeakPolarHBondContact CB-NE2 3.43Å; D708-H710 PolarHBondContact O-CD2 3.36Å; D708-H710 PolarHBondContact O-N 3.42Å; D708-H710 IonicContact OD1-CE1 2.88Å; D708-H710 PolarHBondContact OD1-CE1 2.97Å; D708-H710 VanDerWaalsContact OD1-CE1 3.31Å; D708-H710 IonicContact OD1-NE2 2.67Å; D708-H710 PolarHBondContact OD1-NE2 3.39Å; D708-P733 HydrophobicContact CB-CG 4.11Å
709	V	94.1	Very high	93	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.			trans	-92.4	89.4	176.2	176.4	0	0	0	0	109.5	V357 T707 M730 F732 L1053 F1079	V357-V709 HydrophobicContact CG2-CG2 3.94Å; T707-V709 PolarHBondContact O-N 2.67Å; V709-M730 HydrophobicContact CG1-CE 4.37Å; V709-F732 HydrophobicContact CG1-CE1 3.99Å; V709-F732 HydrophobicContact CG2-CD1 4.22Å; V709-F732 HydrophobicContact CG2-CE1 4.28Å; V709-L1053 HydrophobicContact CG2-CD2 4.49Å; V709-F1079 HydrophobicContact CG1-CB 4.2Å; V709-F1079 HydrophobicContact CG1-CD1 3.92Å; V709-F1079 HydrophobicContact CG1-CG 4.42Å
710	H	95.8	Very high	92.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.7	-169.5	-58.5	-72	0	0	0	113.6	F636 D708 V712 M730 L731 H758 M763	F636-H710 HydrophobicContact CB-CB 4.21Å; D708-H710 WeakPolarHBondContact CA-NE2 3.14Å; D708-H710 VanDerWaalsContact CB-NE2 3.3Å; D708-H710 WeakPolarHBondContact CB-NE2 3.43Å; D708-H710 PolarHBondContact O-CD2 3.36Å; D708-H710 PolarHBondContact O-N 3.42Å; D708-H710 IonicContact OD1-CE1 2.88Å; D708-H710 PolarHBondContact OD1-CE1 2.97Å; D708-H710 VanDerWaalsContact OD1-CE1 3.31Å; D708-H710 IonicContact OD1-NE2 2.67Å; D708-H710 PolarHBondContact OD1-NE2 3.39Å; H710-V712 HydrophobicContact CB-CG2 4.37Å; H710-V712 PolarHBondContact O-N 3.1Å; H710-M730 CarbonylContact O-C 3.03Å; H710-M730 WeakPolarHBondContact O-CA 3.41Å; H710-L731 HydrophobicContact CB-CB 4.12Å; H710-L731 HydrophobicContact CB-CD1 4.42Å; H710-L731 PolarHBondContact N-O 3.33Å; H710-L731 PolarHBondContact O-N 3.37Å; H710-H758 AromaticContact CE1-CD2 3.27Å; H710-H758 PolarHBondContact CE1-CD2 2.95Å; H710-H758 AromaticContact CE1-NE2 3.42Å; H710-H758 PolarHBondContact CE1-NE2 3.17Å; H710-H758 AromaticContact ND1-CD2 3.42Å; H710-H758 PolarHBondContact ND1-CD2 2.95Å; H710-H758 AromaticContact ND1-NE2 3.92Å; H710-M763 VanDerWaalsContact CE1-SD 3.55Å; H710-M763 PolarHBondContact ND1-SD 2.72Å
711	G	95.5	Very high	92.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	88.3	166.5	0	0	0	0	0	112.1	M713 C753 Q754	G711-M713 PolarHBondContact O-N 3.15Å; G711-C753 CarbonylContact O-C 3.54Å; G711-Q754 VanDerWaalsContact O-CB 3.23Å; G711-Q754 WeakPolarHBondContact O-CB 3.46Å; G711-Q754 PolarHBondContact O-N 3.48Å
712	V	95.8	Very high	92	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	100.1	-175.1	-177.8	0	0	0	0	111.6	F636 L700 H710 F714 A728 A729 L731 I751	F636-V712 HydrophobicContact CD1-CG2 3.79Å; F636-V712 HydrophobicContact CD2-CG2 3.79Å; F636-V712 HydrophobicContact CE1-CB 4.44Å; F636-V712 HydrophobicContact CE1-CG1 4.02Å; F636-V712 HydrophobicContact CE1-CG2 3.76Å; F636-V712 HydrophobicContact CE2-CB 4.46Å; F636-V712 HydrophobicContact CE2-CG1 3.77Å; F636-V712 HydrophobicContact CE2-CG2 3.77Å; F636-V712 HydrophobicContact CG-CG2 3.82Å; F636-V712 HydrophobicContact CZ-CB 4.23Å; F636-V712 HydrophobicContact CZ-CG1 3.43Å; F636-V712 VanDerWaalsContact CZ-CG1 3.43Å; F636-V712 HydrophobicContact CZ-CG2 3.76Å; L700-V712 HydrophobicContact CD1-CB 4.24Å; L700-V712 HydrophobicContact CD1-CG1 4.07Å; L700-V712 HydrophobicContact CD2-CG1 4.45Å; H710-V712 HydrophobicContact CB-CG2 4.37Å; H710-V712 PolarHBondContact O-N 3.1Å; V712-F714 HydrophobicContact CG1-CE2 4.05Å; V712-F714 HydrophobicContact CG1-CZ 4.31Å; V712-A728 CarbonylContact O-C 3.54Å; V712-A728 VanDerWaalsContact O-CA 3.28Å; V712-A728 WeakPolarHBondContact O-CA 3.38Å; V712-A729 HydrophobicContact CB-CB 4.48Å; V712-A729 WeakPolarHBondContact CB-O 3.01Å; V712-A729 PolarHBondContact N-O 3.24Å; V712-A729 PolarHBondContact O-N 3.28Å; V712-L731 HydrophobicContact CG2-CD1 3.51Å; V712-L731 HydrophobicContact CG2-CG 4.2Å; V712-I751 HydrophobicContact CG1-CD1 3.76Å; V712-I751 HydrophobicContact CG1-CG1 3.9Å
713	M	92.9	Very high	91.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142	-177.2	-175.6	61.6	73.9	0	0	112	G711 A728 I751 Y752 Q754 H893 F1083	G711-M713 PolarHBondContact O-N 3.15Å; M713-A728 HydrophobicContact CE-CB 4.37Å; M713-I751 WeakPolarHBondContact O-CA 3.28Å; M713-I751 WeakPolarHBondContact O-CG1 3.29Å; M713-Y752 HydrophobicContact CB-CD2 4.13Å; M713-Y752 HydrophobicContact CB-CE1 4.42Å; M713-Y752 HydrophobicContact CB-CE2 3.71Å; M713-Y752 HydrophobicContact CG-CE1 4.19Å; M713-Y752 HydrophobicContact CG-CE2 3.87Å; M713-Y752 WeakPolarHBondContact CG-OH 3.02Å; M713-Y752 PolarHBondContact N-O 3.41Å; M713-Y752 PolarHBondContact O-N 2.72Å; M713-Y752 VanDerWaalsContact O-N 3.11Å; M713-Q754 HydrophobicContact CB-CB 4.31Å; M713-Q754 HydrophobicContact CE-CG 4.43Å; M713-H893 VanDerWaalsContact SD-CD2 3.59Å; M713-F1083 HydrophobicContact CE-CE2 4.13Å; M713-F1083 HydrophobicContact CE-CZ 4.43Å
714	F	92.1	Very high	91.4	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.9	177	-65.5	-97.6	0	0	0	110.3	W698 L700 V712 G716 N717 V719 M741 I751	W698-F714 HydrophobicContact CB-CZ 4.31Å; W698-F714 AromaticContact CD2-CE1 3.67Å; W698-F714 HydrophobicContact CD2-CE1 3.67Å; W698-F714 HydrophobicContact CD2-CZ 4.12Å; W698-F714 AromaticContact CE2-CE1 3.59Å; W698-F714 HydrophobicContact CE3-CE1 4.14Å; W698-F714 AromaticContact CG-CE1 3.95Å; W698-F714 HydrophobicContact CG-CE1 3.95Å; W698-F714 AromaticContact CG-CZ 3.99Å; W698-F714 HydrophobicContact CG-CZ 3.99Å; W698-F714 HydrophobicContact CH2-CE1 4.41Å; W698-F714 HydrophobicContact CZ2-CD1 4.43Å; W698-F714 AromaticContact CZ2-CE1 3.96Å; W698-F714 HydrophobicContact CZ2-CE1 3.96Å; W698-F714 HydrophobicContact CZ3-CE1 4.5Å; W698-F714 AromaticContact NE1-CE1 3.84Å; L700-F714 HydrophobicContact CD1-CE2 4.39Å; L700-F714 HydrophobicContact CD1-CZ 4.33Å; V712-F714 HydrophobicContact CG1-CE2 4.05Å; V712-F714 HydrophobicContact CG1-CZ 4.31Å; F714-G716 PolarHBondContact O-N 2.99Å; F714-N717 VanDerWaalsContact O-O 3.13Å; F714-V719 HydrophobicContact CD1-CG1 4.34Å; F714-V719 HydrophobicContact CD2-CG1 3.54Å; F714-V719 HydrophobicContact CD2-CG2 4.25Å; F714-V719 HydrophobicContact CE1-CG1 4.34Å; F714-V719 HydrophobicContact CE2-CG1 3.57Å; F714-V719 HydrophobicContact CE2-CG2 4.38Å; F714-V719 HydrophobicContact CG-CG1 3.94Å; F714-V719 HydrophobicContact CZ-CG1 3.98Å; F714-M741 HydrophobicContact CB-CE 3.86Å; F714-M741 HydrophobicContact CD1-CE 3.4Å; F714-M741 HydrophobicContact CE1-CE 4.05Å; F714-M741 HydrophobicContact CG-CE 3.73Å; F714-I751 HydrophobicContact CD1-CB 4.4Å; F714-I751 HydrophobicContact CD1-CD1 3.94Å; F714-I751 HydrophobicContact CD1-CG1 3.93Å; F714-I751 HydrophobicContact CE1-CD1 3.34Å; F714-I751 HydrophobicContact CE1-CG1 3.86Å; F714-I751 HydrophobicContact CE2-CD1 4.35Å; F714-I751 HydrophobicContact CG-CG1 4.38Å; F714-I751 HydrophobicContact CZ-CD1 3.58Å; F714-I751 HydrophobicContact CZ-CG1 4.22Å
715	Q	88.2	Confident	91.5	Very high	31 Å²	31	21.7 Å²	21.7	15%	0.145	12%	0.119	C	C	.	.	S	Bend	trans	-67.2	133.5	179.3	-166	-174.7	32.3	0	0	110.7	N717 F749 E750 Y752 Y767 W902	Q715-N717 PolarHBondContact O-N 2.87Å; Q715-F749 HydrophobicContact CB-CB 4.37Å; Q715-E750 HydrophobicContact CB-CB 4.45Å; Q715-E750 WeakPolarHBondContact CB-O 3.37Å; Q715-E750 PolarHBondContact N-O 2.91Å; Q715-Y752 HydrophobicContact CB-CE1 4.34Å; Q715-Y767 PolarHBondContact O-OH 3.31Å; Q715-W902 VanDerWaalsContact NE2-CH2 3.34Å
716	G	84.3	Confident	91.3	Very high	22 Å²	22	20.9 Å²	20.9	23%	0.227	11%	0.112	C	C	.	.	S	Bend	trans	73.3	-11.5	167.1	0	0	0	0	0	118	F714 R921	F714-G716 PolarHBondContact O-N 2.99Å; G716-R921 PolarHBondContact O-NH2 3.13Å
717	N	89.1	Confident	90.8	Very high	6 Å²	6	19 Å²	19	3%	0.032	11%	0.107	C	C	.	.	S	Bend	trans	-135.2	150.3	173.8	-64.6	-85	0	0	0	110	F714 Q715 M741 D744 N745 Y767	F714-N717 VanDerWaalsContact O-O 3.13Å; Q715-N717 PolarHBondContact O-N 2.87Å; N717-M741 HydrophobicContact CB-CE 3.95Å; N717-M741 HydrophobicContact CB-SD 3.88Å; N717-D744 PolarHBondContact OD1-N 3.5Å; N717-D744 PolarHBondContact OD1-OD1 3.25Å; N717-N745 PolarHBondContact OD1-N 2.94Å; N717-Y767 PolarHBondContact ND2-OH 2.9Å
718	T	91.5	Very high	90.8	Very high	13 Å²	13	17 Å²	17	8%	0.08	10%	0.096	C	C	.	.			trans	-103.1	146.5	-179.9	56.6	0	0	0	0	112.6	G894 R921 W934	T718-G894 WeakPolarHBondContact CG2-O 3.4Å; T718-R921 PolarHBondContact OG1-O 3.37Å; T718-W934 HydrophobicContact CG2-CH2 4.11Å; T718-W934 HydrophobicContact CG2-CZ2 4.3Å
719	V	93.1	Very high	90.8	Very high	1 Å²	1	17 Å²	17	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	169.4	171.7	-68.1	0	0	0	0	112.9	F714 R725 A739 I740 M741	F714-V719 HydrophobicContact CD1-CG1 4.34Å; F714-V719 HydrophobicContact CD2-CG1 3.54Å; F714-V719 HydrophobicContact CD2-CG2 4.25Å; F714-V719 HydrophobicContact CE1-CG1 4.34Å; F714-V719 HydrophobicContact CE2-CG1 3.57Å; F714-V719 HydrophobicContact CE2-CG2 4.38Å; F714-V719 HydrophobicContact CG-CG1 3.94Å; F714-V719 HydrophobicContact CZ-CG1 3.98Å; V719-R725 WeakPolarHBondContact O-CD 3.48Å; V719-R725 PolarHBondContact O-NH1 2.86Å; V719-A739 HydrophobicContact CB-CB 4.05Å; V719-A739 HydrophobicContact CG1-CB 4.14Å; V719-A739 HydrophobicContact CG2-CB 4.5Å; V719-I740 CarbonylContact C-O 3.5Å; V719-I740 WeakPolarHBondContact CA-O 3.41Å; V719-M741 HydrophobicContact CG1-CB 4.43Å; V719-M741 HydrophobicContact CG1-CE 3.75Å
720	Q	93.1	Very high	90.8	Very high	51 Å²	51	18.6 Å²	18.6	24%	0.238	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.9	171.4	-165.1	176.2	9.9	0	0	109.5	G723 M724 I740	Q720-G723 PolarHBondContact NE2-O 3.21Å; Q720-M724 CarbonylContact C-O 3.57Å; Q720-M724 VanDerWaalsContact CA-O 3.26Å; Q720-M724 WeakPolarHBondContact CA-O 3.39Å; Q720-M724 VanDerWaalsContact CG-O 3.29Å; Q720-M724 WeakPolarHBondContact CG-O 3.42Å; Q720-I740 PolarHBondContact N-O 2.87Å; Q720-I740 PolarHBondContact O-N 2.93Å
721	L	91.4	Very high	90.8	Very high	28 Å²	28	18.6 Å²	18.6	15%	0.147	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.9	-178.4	-64.1	-174.8	0	0	0	108.8	G723 M724 K726 A729 V737 A739	L721-G723 PolarHBondContact O-N 3.19Å; L721-M724 PolarHBondContact N-O 3.04Å; L721-M724 WeakPolarHBondContact O-CA 3.36Å; L721-M724 VanDerWaalsContact O-CB 3.32Å; L721-M724 WeakPolarHBondContact O-CB 3.42Å; L721-M724 PolarHBondContact O-N 2.86Å; L721-K726 HydrophobicContact CB-CG 4.27Å; L721-K726 HydrophobicContact CD1-CB 4.03Å; L721-K726 HydrophobicContact CD1-CG 4.05Å; L721-K726 HydrophobicContact CG-CB 4.36Å; L721-K726 HydrophobicContact CG-CG 4.34Å; L721-A729 HydrophobicContact CD1-CB 3.93Å; L721-A729 HydrophobicContact CD2-CB 4.38Å; L721-V737 HydrophobicContact CD1-CG1 4.37Å; L721-V737 HydrophobicContact CD2-CG1 3.44Å; L721-V737 VanDerWaalsContact CD2-CG1 3.44Å; L721-A739 HydrophobicContact CD2-CB 3.44Å; L721-A739 VanDerWaalsContact CD2-CB 3.44Å
722	Q	86.8	Confident	90.8	Very high	87 Å²	87	18.6 Å²	18.6	41%	0.407	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	27.5	-177.8	-64.7	177.3	-20.2	0	0	114.6	H372 N927 N1067	H372-Q722 PolarHBondContact ND1-NE2 3.11Å; H372-Q722 PolarHBondContact NE2-OE1 3.06Å; Q722-N927 PolarHBondContact O-ND2 2.85Å; Q722-N1067 PolarHBondContact OE1-ND2 2.83Å; Q722-N1067 VanDerWaalsContact OE1-ND2 3.09Å
723	G	87.6	Confident	90.9	Very high	19 Å²	19	18.6 Å²	18.6	20%	0.196	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-18.3	-175	0	0	0	0	0	115.2	Q720 L721 P926	Q720-G723 PolarHBondContact NE2-O 3.21Å; L721-G723 PolarHBondContact O-N 3.19Å; G723-P926 VanDerWaalsContact O-CD 3.24Å; G723-P926 WeakPolarHBondContact O-CD 3.48Å; G723-P926 WeakPolarHBondContact O-CG 3.28Å
724	M	91.5	Very high	91	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.044	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	150.7	174.9	-60.6	-170.3	78.2	0	0	112.6	Q720 L721 K726 N927 D928 Y1065 R1066 N1067	Q720-M724 CarbonylContact C-O 3.57Å; Q720-M724 VanDerWaalsContact CA-O 3.26Å; Q720-M724 WeakPolarHBondContact CA-O 3.39Å; Q720-M724 VanDerWaalsContact CG-O 3.29Å; Q720-M724 WeakPolarHBondContact CG-O 3.42Å; L721-M724 PolarHBondContact N-O 3.04Å; L721-M724 WeakPolarHBondContact O-CA 3.36Å; L721-M724 VanDerWaalsContact O-CB 3.32Å; L721-M724 WeakPolarHBondContact O-CB 3.42Å; L721-M724 PolarHBondContact O-N 2.86Å; M724-K726 HydrophobicContact CB-CG 4.33Å; M724-K726 VanDerWaalsContact SD-CE 3.58Å; M724-N927 HydrophobicContact CG-CB 3.81Å; M724-D928 VanDerWaalsContact CA-OD1 3.26Å; M724-D928 WeakPolarHBondContact CA-OD1 3.47Å; M724-D928 WeakPolarHBondContact CB-OD1 3.4Å; M724-D928 VanDerWaalsContact CE-OD1 3.29Å; M724-D928 WeakPolarHBondContact CE-OD1 3.33Å; M724-Y1065 PolarHBondContact SD-OH 2.9Å; M724-Y1065 VanDerWaalsContact SD-OH 3.36Å; M724-R1066 WeakPolarHBondContact CE-O 3.44Å; M724-N1067 HydrophobicContact CG-CB 4.46Å; M724-N1067 WeakPolarHBondContact CG-OD1 3.48Å; M724-N1067 HydrophobicContact SD-CB 3.73Å
725	R	93.6	Very high	91.2	Very high	34 Å²	34	18.5 Å²	18.5	13%	0.128	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.1	174.7	-177.4	66.8	62.9	-156.7	2.4	109.5	V719 R921 G923 D928 W934	V719-R725 WeakPolarHBondContact O-CD 3.48Å; V719-R725 PolarHBondContact O-NH1 2.86Å; R725-R921 WeakPolarHBondContact CD-O 3.23Å; R725-R921 PolarHBondContact NE-O 3.06Å; R725-G923 WeakPolarHBondContact CG-O 3.24Å; R725-D928 WeakPolarHBondContact CB-OD2 3.38Å; R725-D928 PolarHBondContact N-OD1 3.16Å; R725-D928 PolarHBondContact N-OD2 2.6Å; R725-W934 HydrophobicContact CG-CH2 3.8Å; R725-W934 HydrophobicContact CG-CZ2 3.7Å
726	K	89.8	Confident	91.4	Very high	25 Å²	25	18.4 Å²	18.4	11%	0.109	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.7	-175.2	-58	-72.4	-173.6	166.5	0	111.5	L721 M724 Y1065 E1084	L721-K726 HydrophobicContact CB-CG 4.27Å; L721-K726 HydrophobicContact CD1-CB 4.03Å; L721-K726 HydrophobicContact CD1-CG 4.05Å; L721-K726 HydrophobicContact CG-CB 4.36Å; L721-K726 HydrophobicContact CG-CG 4.34Å; M724-K726 HydrophobicContact CB-CG 4.33Å; M724-K726 VanDerWaalsContact SD-CE 3.58Å; K726-Y1065 PolarHBondContact NZ-OH 2.84Å; K726-Y1065 VanDerWaalsContact NZ-OH 3.08Å; K726-E1084 IonicContact NZ-OE1 2.7Å; K726-E1084 PolarHBondContact NZ-OE1 2.94Å; K726-E1084 IonicContact NZ-OE2 3.17Å; K726-E1084 PolarHBondContact NZ-OE2 2.84Å
727	G	77.9	Confident	91.8	Very high	13 Å²	13	18.7 Å²	18.7	13%	0.134	10%	0.1	C	C	.	.	S	Bend	trans	-91.4	-70.8	-179.8	0	0	0	0	0	111.5
728	A	89.2	Confident	92	Very high	9 Å²	9	19.6 Å²	19.6	7%	0.074	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	157.4	163.6	0	0	0	0	0	111.7	V712 M713 M730 G1081	V712-A728 CarbonylContact O-C 3.54Å; V712-A728 VanDerWaalsContact O-CA 3.28Å; V712-A728 WeakPolarHBondContact O-CA 3.38Å; M713-A728 HydrophobicContact CE-CB 4.37Å; A728-M730 HydrophobicContact CB-SD 4.08Å; A728-G1081 WeakPolarHBondContact CB-O 3.48Å
729	A	93.7	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.6	155.2	0	0	0	0	0	108.1	L700 V712 L721 V737	L700-A729 HydrophobicContact CD1-CB 3.6Å; V712-A729 HydrophobicContact CB-CB 4.48Å; V712-A729 WeakPolarHBondContact CB-O 3.01Å; V712-A729 PolarHBondContact N-O 3.24Å; V712-A729 PolarHBondContact O-N 3.28Å; L721-A729 HydrophobicContact CD1-CB 3.93Å; L721-A729 HydrophobicContact CD2-CB 4.38Å; A729-V737 HydrophobicContact CB-CG1 4.28Å
730	M	94.4	Very high	92.3	Very high	32 Å²	32	21.2 Å²	21.2	16%	0.158	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.5	-177.7	-59.7	-47.8	-50.7	0	0	111.7	V709 H710 A728 F732 F1079 T1082	V709-M730 HydrophobicContact CG1-CE 4.37Å; H710-M730 CarbonylContact O-C 3.03Å; H710-M730 WeakPolarHBondContact O-CA 3.41Å; A728-M730 HydrophobicContact CB-SD 4.08Å; M730-F732 HydrophobicContact CB-CE2 3.91Å; M730-F732 HydrophobicContact CB-CZ 4.07Å; M730-F732 HydrophobicContact CE-CZ 4.39Å; M730-F1079 HydrophobicContact CE-CB 3.31Å; M730-F1079 HydrophobicContact CE-CD2 4.29Å; M730-F1079 HydrophobicContact CE-CG 3.9Å; M730-F1079 HydrophobicContact CG-CD2 4.14Å; M730-F1079 HydrophobicContact SD-CB 3.99Å; M730-T1082 PolarHBondContact SD-OG1 3.02Å
731	L	95.8	Very high	92.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.4	171.3	-44.8	159.2	0	0	0	110.3	F636 L700 H710 V712 T735 V737	F636-L731 HydrophobicContact CB-CD1 4.05Å; F636-L731 HydrophobicContact CD2-CD1 3.98Å; F636-L731 HydrophobicContact CG-CD1 4.19Å; L700-L731 HydrophobicContact CB-CD1 4.05Å; L700-L731 HydrophobicContact CB-CD2 3.84Å; L700-L731 HydrophobicContact CB-CG 4.48Å; H710-L731 HydrophobicContact CB-CB 4.12Å; H710-L731 HydrophobicContact CB-CD1 4.42Å; H710-L731 PolarHBondContact N-O 3.33Å; H710-L731 PolarHBondContact O-N 3.37Å; V712-L731 HydrophobicContact CG2-CD1 3.51Å; V712-L731 HydrophobicContact CG2-CG 4.2Å; L731-T735 WeakPolarHBondContact CA-OG1 3.41Å; L731-V737 HydrophobicContact CD2-CB 4.06Å; L731-V737 HydrophobicContact CD2-CG2 3.75Å
732	F	96.2	Very high	92.3	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.121	C	C	.	.			trans	-132.8	171.4	174.8	-46.3	-86.3	0	0	0	108.8	V357 T359 Q378 F380 G702 V709 M730 H734 T735 F1079	V357-F732 HydrophobicContact CG1-CB 4.38Å; V357-F732 HydrophobicContact CG1-CD1 4.12Å; T359-F732 HydrophobicContact CG2-CB 3.94Å; Q378-F732 HydrophobicContact CG-CD2 4.27Å; F380-F732 AromaticContact CE1-CD1 3.67Å; F380-F732 HydrophobicContact CE1-CD1 3.67Å; F380-F732 AromaticContact CE1-CE1 3.49Å; F380-F732 HydrophobicContact CE1-CE1 3.49Å; F380-F732 VanDerWaalsContact CE1-CE1 3.49Å; F380-F732 HydrophobicContact CE1-CE2 4.45Å; F380-F732 HydrophobicContact CE1-CG 4.22Å; F380-F732 AromaticContact CE1-CZ 3.93Å; F380-F732 HydrophobicContact CE1-CZ 3.93Å; F380-F732 HydrophobicContact CE2-CE2 4.48Å; F380-F732 HydrophobicContact CE2-CZ 4.37Å; F380-F732 AromaticContact CZ-CD1 3.81Å; F380-F732 HydrophobicContact CZ-CD1 3.81Å; F380-F732 AromaticContact CZ-CD2 3.91Å; F380-F732 HydrophobicContact CZ-CD2 3.91Å; F380-F732 AromaticContact CZ-CE1 3.53Å; F380-F732 HydrophobicContact CZ-CE1 3.53Å; F380-F732 AromaticContact CZ-CE2 3.66Å; F380-F732 HydrophobicContact CZ-CE2 3.66Å; F380-F732 AromaticContact CZ-CG 3.99Å; F380-F732 HydrophobicContact CZ-CG 3.99Å; F380-F732 AromaticContact CZ-CZ 3.46Å; F380-F732 HydrophobicContact CZ-CZ 3.46Å; F380-F732 VanDerWaalsContact CZ-CZ 3.46Å; G702-F732 CarbonylContact C-O 3.59Å; V709-F732 HydrophobicContact CG1-CE1 3.99Å; V709-F732 HydrophobicContact CG2-CD1 4.22Å; V709-F732 HydrophobicContact CG2-CE1 4.28Å; M730-F732 HydrophobicContact CB-CE2 3.91Å; M730-F732 HydrophobicContact CB-CZ 4.07Å; M730-F732 HydrophobicContact CE-CZ 4.39Å; F732-H734 PolarHBondContact O-N 3.11Å; F732-T735 HydrophobicContact CB-CG2 3.89Å; F732-T735 HydrophobicContact CD2-CG2 4.25Å; F732-T735 PolarHBondContact N-OG1 2.69Å; F732-T735 WeakPolarHBondContact O-CB 3.4Å; F732-T735 WeakPolarHBondContact O-CG2 3.34Å; F732-T735 PolarHBondContact O-N 2.86Å; F732-T735 PolarHBondContact O-OG1 2.92Å; F732-F1079 AromaticContact CE1-CD1 3.71Å; F732-F1079 HydrophobicContact CE1-CD1 3.71Å; F732-F1079 AromaticContact CE1-CE1 3.59Å; F732-F1079 HydrophobicContact CE1-CE1 3.59Å; F732-F1079 HydrophobicContact CE1-CG 4.23Å; F732-F1079 HydrophobicContact CE1-CZ 4.03Å; F732-F1079 AromaticContact CZ-CD1 3.82Å; F732-F1079 HydrophobicContact CZ-CD1 3.82Å; F732-F1079 AromaticContact CZ-CD2 3.89Å; F732-F1079 HydrophobicContact CZ-CD2 3.89Å; F732-F1079 AromaticContact CZ-CE1 3.64Å; F732-F1079 HydrophobicContact CZ-CE1 3.64Å; F732-F1079 AromaticContact CZ-CE2 3.73Å; F732-F1079 HydrophobicContact CZ-CE2 3.73Å; F732-F1079 AromaticContact CZ-CG 3.94Å; F732-F1079 HydrophobicContact CZ-CG 3.94Å; F732-F1079 AromaticContact CZ-CZ 3.61Å; F732-F1079 HydrophobicContact CZ-CZ 3.61Å
733	P	96.5	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	126.6	-178.6	-29.7	38.2	0	0	0	114.5	T359 V403 T705 D708 T735	T359-P733 WeakPolarHBondContact CB-O 3.5Å; T359-P733 WeakPolarHBondContact CG2-O 3.19Å; T359-P733 PolarHBondContact OG1-O 2.85Å; V403-P733 HydrophobicContact CG2-CB 4.15Å; V403-P733 HydrophobicContact CG2-CG 3.98Å; T705-P733 VanDerWaalsContact O-CG 3.32Å; T705-P733 WeakPolarHBondContact O-CG 3.42Å; D708-P733 HydrophobicContact CB-CG 4.11Å; P733-T735 VanDerWaalsContact C-N 3.31Å; P733-T735 PolarHBondContact O-N 2.99Å
734	H	95.8	Very high	92.5	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.023	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	23.2	-174.3	-67.2	-122.9	0	0	0	115.7	V376 Q402 H539 M592 F594 G702 L703 F732 F736	V376-H734 HydrophobicContact CG2-CB 4.39Å; Q402-H734 HydrophobicContact CB-CB 3.67Å; Q402-H734 VanDerWaalsContact CB-CD2 3.47Å; Q402-H734 WeakPolarHBondContact CB-CD2 3.39Å; Q402-H734 VanDerWaalsContact CB-CG 3.41Å; Q402-H734 HydrophobicContact CG-CB 4.06Å; H539-H734 AromaticContact CE1-ND1 3.73Å; H539-H734 AromaticContact NE2-CG 3.89Å; H539-H734 AromaticContact NE2-ND1 3.01Å; H539-H734 PolarHBondContact NE2-ND1 2.9Å; M592-H734 HydrophobicContact CE-CB 3.74Å; M592-H734 WeakPolarHBondContact CE-ND1 3.21Å; F594-H734 AromaticContact CE1-CE1 3.69Å; F594-H734 AromaticContact CE1-ND1 3.92Å; F594-H734 AromaticContact CE2-CE1 3.68Å; F594-H734 AromaticContact CZ-CE1 3.5Å; G702-H734 WeakPolarHBondContact O-CA 3.44Å; G702-H734 PolarHBondContact O-N 2.86Å; L703-H734 WeakPolarHBondContact CD2-CD2 3.4Å; L703-H734 VanDerWaalsContact CD2-NE2 3.35Å; L703-H734 WeakPolarHBondContact CD2-NE2 3.24Å; F732-H734 PolarHBondContact O-N 3.11Å; H734-F736 WeakPolarHBondContact O-CE1 3.25Å
735	T	94.9	Very high	92.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	11%	0.107	C	C	.	.			trans	-101.6	157.7	171.2	69.6	0	0	0	0	112.2	T359 Q378 G702 L731 F732 P733	T359-T735 HydrophobicContact CG2-CG2 4.03Å; Q378-T735 HydrophobicContact CG-CG2 3.62Å; G702-T735 PolarHBondContact N-O 3.22Å; L731-T735 WeakPolarHBondContact CA-OG1 3.41Å; F732-T735 HydrophobicContact CB-CG2 3.89Å; F732-T735 HydrophobicContact CD2-CG2 4.25Å; F732-T735 PolarHBondContact N-OG1 2.69Å; F732-T735 WeakPolarHBondContact O-CB 3.4Å; F732-T735 WeakPolarHBondContact O-CG2 3.34Å; F732-T735 PolarHBondContact O-N 2.86Å; F732-T735 PolarHBondContact O-OG1 2.92Å; P733-T735 VanDerWaalsContact C-N 3.31Å; P733-T735 PolarHBondContact O-N 2.99Å
736	F	93	Very high	92.1	Very high	30 Å²	30	22.7 Å²	22.7	13%	0.132	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137	-172	35.5	-95.4	0	0	0	109.7	D375 V376 T590 W591 L700 L701 H734	D375-F736 WeakPolarHBondContact OD1-CZ 3.44Å; V376-F736 HydrophobicContact CG2-CE1 4.43Å; T590-F736 HydrophobicContact CG2-CB 4.05Å; T590-F736 WeakPolarHBondContact O-CD2 3.38Å; T590-F736 WeakPolarHBondContact O-CG 3.22Å; W591-F736 HydrophobicContact CD2-CE2 4.3Å; W591-F736 HydrophobicContact CE3-CD1 4.42Å; W591-F736 HydrophobicContact CE3-CD2 4.02Å; W591-F736 AromaticContact CE3-CE1 3.88Å; W591-F736 HydrophobicContact CE3-CE1 3.88Å; W591-F736 AromaticContact CE3-CE2 3.42Å; W591-F736 HydrophobicContact CE3-CE2 3.42Å; W591-F736 VanDerWaalsContact CE3-CE2 3.42Å; W591-F736 AromaticContact CE3-CZ 3.36Å; W591-F736 HydrophobicContact CE3-CZ 3.36Å; W591-F736 HydrophobicContact CH2-CE2 4.26Å; W591-F736 HydrophobicContact CZ3-CD2 4.39Å; W591-F736 HydrophobicContact CZ3-CE1 4.27Å; W591-F736 AromaticContact CZ3-CE2 3.41Å; W591-F736 HydrophobicContact CZ3-CE2 3.41Å; W591-F736 VanDerWaalsContact CZ3-CE2 3.41Å; W591-F736 AromaticContact CZ3-CZ 3.35Å; W591-F736 HydrophobicContact CZ3-CZ 3.35Å; L700-F736 CarbonylContact O-C 3.6Å; L700-F736 VanDerWaalsContact O-CA 3.29Å; L700-F736 WeakPolarHBondContact O-CA 3.29Å; L701-F736 HydrophobicContact CD2-CB 3.82Å; H734-F736 WeakPolarHBondContact O-CE1 3.25Å
737	V	93.3	Very high	92	Very high	28 Å²	28	22.8 Å²	22.8	17%	0.17	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.5	-176.2	176.6	0	0	0	0	109.7	T590 L700 L721 A729 L731	T590-V737 PolarHBondContact OG1-O 3.05Å; T590-V737 VanDerWaalsContact OG1-O 3.1Å; L700-V737 HydrophobicContact CB-CB 4.35Å; L700-V737 PolarHBondContact N-O 2.83Å; L700-V737 PolarHBondContact O-N 2.9Å; L721-V737 HydrophobicContact CD1-CG1 4.37Å; L721-V737 HydrophobicContact CD2-CG1 3.44Å; L721-V737 VanDerWaalsContact CD2-CG1 3.44Å; A729-V737 HydrophobicContact CB-CG1 4.28Å; L731-V737 HydrophobicContact CD2-CB 4.06Å; L731-V737 HydrophobicContact CD2-CG2 3.75Å
738	M	93.8	Very high	92.6	Very high	25 Å²	25	26.7 Å²	26.7	12%	0.123	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.1	168.4	-170.2	-169.9	-174	0	0	109.2	P586 A697 W698 I740	P586-M738 HydrophobicContact CB-SD 3.76Å; P586-M738 HydrophobicContact CG-SD 4.05Å; A697-M738 HydrophobicContact CB-CE 3.64Å; W698-M738 WeakPolarHBondContact O-CA 3.47Å; M738-I740 HydrophobicContact CE-CD1 3.73Å; M738-I740 HydrophobicContact SD-CD1 4.49Å
739	A	94.6	Very high	92.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126	-180	0	0	0	0	0	111.2	W698 V719 L721	W698-A739 HydrophobicContact CB-CB 4.22Å; W698-A739 PolarHBondContact N-O 2.96Å; W698-A739 PolarHBondContact O-N 2.87Å; V719-A739 HydrophobicContact CB-CB 4.05Å; V719-A739 HydrophobicContact CG1-CB 4.14Å; V719-A739 HydrophobicContact CG2-CB 4.5Å; L721-A739 HydrophobicContact CD2-CB 3.44Å; L721-A739 VanDerWaalsContact CD2-CB 3.44Å
740	I	94.5	Very high	92.5	Very high	48 Å²	48	27.9 Å²	27.9	25%	0.246	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.1	176.8	-56.5	-59.3	0	0	0	109.6	T695 A697 V719 Q720 M738	T695-I740 HydrophobicContact CG2-CG2 4.23Å; A697-I740 HydrophobicContact CB-CD1 4.2Å; V719-I740 CarbonylContact C-O 3.5Å; V719-I740 WeakPolarHBondContact CA-O 3.41Å; Q720-I740 PolarHBondContact N-O 2.87Å; Q720-I740 PolarHBondContact O-N 2.93Å; M738-I740 HydrophobicContact CE-CD1 3.73Å; M738-I740 HydrophobicContact SD-CD1 4.49Å
741	M	93.9	Very high	92.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.4	172.8	-175.3	-177	-74.1	0	0	110.1	V696 F714 N717 V719 P743 Y767	V696-M741 HydrophobicContact CB-CB 4.4Å; V696-M741 PolarHBondContact N-O 2.94Å; V696-M741 PolarHBondContact O-N 3.09Å; F714-M741 HydrophobicContact CB-CE 3.86Å; F714-M741 HydrophobicContact CD1-CE 3.4Å; F714-M741 HydrophobicContact CE1-CE 4.05Å; F714-M741 HydrophobicContact CG-CE 3.73Å; N717-M741 HydrophobicContact CB-CE 3.95Å; N717-M741 HydrophobicContact CB-SD 3.88Å; V719-M741 HydrophobicContact CG1-CB 4.43Å; V719-M741 HydrophobicContact CG1-CE 3.75Å; M741-P743 HydrophobicContact SD-CB 4.28Å; M741-Y767 HydrophobicContact SD-CE2 4.36Å
742	Q	92.5	Very high	92.4	Very high	123 Å²	123	26.4 Å²	26.4	58%	0.575	14%	0.144	S	C	*	.			trans	-122.1	100	162.5	-74.1	-176.4	-17.8	0	0	107.2	D694 T695 D744	D694-Q742 WeakPolarHBondContact O-CA 3.5Å; T695-Q742 PolarHBondContact OG1-NE2 3.19Å; Q742-D744 PolarHBondContact O-N 3.05Å
743	P	91	Very high	92.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.144	C	C	.	.			trans	-75.7	120.9	-168.7	30.8	-33.9	0	0	0	110.2	M690 G693 D694 V696 M741 V769	M690-P743 HydrophobicContact CG-CG 4.19Å; M690-P743 HydrophobicContact SD-CB 4.27Å; M690-P743 HydrophobicContact SD-CG 3.94Å; G693-P743 PolarHBondContact N-O 3.11Å; G693-P743 VanDerWaalsContact N-O 3.09Å; D694-P743 VanDerWaalsContact O-CD 3.24Å; D694-P743 WeakPolarHBondContact O-CD 3.26Å; V696-P743 HydrophobicContact CG2-CG 4.4Å; M741-P743 HydrophobicContact SD-CB 4.28Å; P743-V769 HydrophobicContact CB-CB 4.45Å; P743-V769 HydrophobicContact CB-CG1 3.78Å; P743-V769 HydrophobicContact CB-CG2 3.76Å; P743-V769 HydrophobicContact CG-CG1 4.05Å; P743-V769 HydrophobicContact CG-CG2 4.46Å
744	D	87.3	Confident	92.2	Very high	40 Å²	40	27.1 Å²	27.1	21%	0.214	15%	0.147	C	C	.	.			trans	-106.3	-20	-178.4	68	1.5	0	0	0	112.8	K692 N717 Q742 R921	K692-D744 WeakPolarHBondContact CE-O 3.17Å; K692-D744 PolarHBondContact NZ-O 3.48Å; N717-D744 PolarHBondContact OD1-N 3.5Å; N717-D744 PolarHBondContact OD1-OD1 3.25Å; Q742-D744 PolarHBondContact O-N 3.05Å; D744-R921 IonicContact OD1-CZ 2.84Å; D744-R921 IonicContact OD1-NE 3.73Å; D744-R921 PolarHBondContact OD1-NE 3.45Å; D744-R921 VanDerWaalsContact OD1-NE 3.12Å; D744-R921 IonicContact OD1-NH2 3.21Å; D744-R921 PolarHBondContact OD1-NH2 2.96Å; D744-R921 VanDerWaalsContact OD2-CG 3.28Å; D744-R921 WeakPolarHBondContact OD2-CG 3.46Å; D744-R921 IonicContact OD2-CZ 3.54Å; D744-R921 IonicContact OD2-NE 3.6Å; D744-R921 PolarHBondContact OD2-NE 3.18Å; D744-R921 IonicContact OD2-NH2 3.64Å
745	N	86.3	Confident	92	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.139	15%	0.146	C	C	.	.	S	Bend	trans	-90.5	139.4	178.9	-158.2	-2.8	0	0	0	110.6	N717 F749 V769 L896	N717-N745 PolarHBondContact OD1-N 2.94Å; N745-F749 HydrophobicContact CB-CE1 4.43Å; N745-F749 HydrophobicContact CB-CE2 4.3Å; N745-F749 HydrophobicContact CB-CZ 3.72Å; N745-F749 VanDerWaalsContact CG-CZ 3.48Å; N745-V769 VanDerWaalsContact O-CB 3.28Å; N745-V769 WeakPolarHBondContact O-CB 3.35Å; N745-V769 VanDerWaalsContact O-CG1 3.23Å; N745-V769 WeakPolarHBondContact O-CG1 3.45Å; N745-L896 HydrophobicContact CB-CD1 4Å
746	L	88.8	Confident	91.7	Very high	67 Å²	67	27 Å²	27	35%	0.351	15%	0.148	S	C	.	.			trans	-102	130.1	-178.6	-75.6	173.2	0	0	0	110.3	K692 V769 Q771	K692-L746 HydrophobicContact CB-CD2 3.73Å; K692-L746 HydrophobicContact CD-CD1 4.26Å; K692-L746 HydrophobicContact CD-CD2 3.86Å; K692-L746 HydrophobicContact CD-CG 3.81Å; K692-L746 HydrophobicContact CG-CD2 4.44Å; L746-V769 HydrophobicContact CD2-CG1 4.4Å; L746-V769 WeakPolarHBondContact CD2-O 3.26Å; L746-Q771 HydrophobicContact CD1-CB 4.49Å; L746-Q771 HydrophobicContact CD2-CB 4.2Å
747	G	88.9	Confident	91.5	Very high	28 Å²	28	27.1 Å²	27.1	29%	0.289	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.1	-166.9	178.4	0	0	0	0	0	113.7	F749 V769	G747-F749 WeakPolarHBondContact O-CD2 3.39Å; G747-F749 WeakPolarHBondContact O-CE2 3.47Å; G747-V769 PolarHBondContact N-O 2.76Å; G747-V769 PolarHBondContact O-N 3.04Å
748	T	89.5	Confident	91.6	Very high	95 Å²	95	25.8 Å²	25.8	58%	0.583	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	176.5	-52.4	0	0	0	0	108.8	I766	T748-I766 HydrophobicContact CG2-CG2 3.28Å
749	F	90.3	Very high	91.6	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.096	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.3	-173	-58.4	-74.8	0	0	0	110.8	Q715 N745 G747 I766 Y767 V769	Q715-F749 HydrophobicContact CB-CB 4.37Å; N745-F749 HydrophobicContact CB-CE1 4.43Å; N745-F749 HydrophobicContact CB-CE2 4.3Å; N745-F749 HydrophobicContact CB-CZ 3.72Å; N745-F749 VanDerWaalsContact CG-CZ 3.48Å; G747-F749 WeakPolarHBondContact O-CD2 3.39Å; G747-F749 WeakPolarHBondContact O-CE2 3.47Å; F749-I766 WeakPolarHBondContact O-CA 3.45Å; F749-Y767 HydrophobicContact CB-CD1 3.94Å; F749-Y767 HydrophobicContact CB-CE1 3.39Å; F749-Y767 HydrophobicContact CB-CE2 4.06Å; F749-Y767 HydrophobicContact CB-CG 4.47Å; F749-Y767 VanDerWaalsContact CB-CZ 3.46Å; F749-Y767 AromaticContact CD2-CE2 3.9Å; F749-Y767 HydrophobicContact CD2-CE2 3.9Å; F749-Y767 HydrophobicContact CG-CE1 4.41Å; F749-Y767 HydrophobicContact CG-CE2 4.35Å; F749-Y767 AromaticContact CG-CZ 3.99Å; F749-Y767 PolarHBondContact N-O 3.31Å; F749-Y767 WeakPolarHBondContact O-CD1 3.45Å; F749-Y767 PolarHBondContact O-N 3.49Å; F749-V769 HydrophobicContact CD2-CG2 4.04Å; F749-V769 HydrophobicContact CE2-CB 4.29Å; F749-V769 HydrophobicContact CE2-CG2 3.99Å
750	E	90.7	Very high	91.4	Very high	11 Å²	11	28.2 Å²	28.2	5%	0.051	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.3	171.9	-62	-166.1	140.9	0	0	112.3	S455 Q715 Y752 R759 R764 A765	S455-E750 WeakPolarHBondContact CB-OE1 3.48Å; S455-E750 PolarHBondContact OG-OE1 2.81Å; Q715-E750 HydrophobicContact CB-CB 4.45Å; Q715-E750 WeakPolarHBondContact CB-O 3.37Å; Q715-E750 PolarHBondContact N-O 2.91Å; E750-Y752 HydrophobicContact CB-CD1 3.87Å; E750-Y752 HydrophobicContact CB-CE1 4.5Å; E750-R759 IonicContact OE2-NH2 3.1Å; E750-R764 VanDerWaalsContact OE1-CD 3.3Å; E750-R764 WeakPolarHBondContact OE1-CD 3.24Å; E750-R764 IonicContact OE1-NE 3.69Å; E750-A765 CarbonylContact C-O 3.55Å; E750-A765 WeakPolarHBondContact CA-O 3.41Å
751	I	93.9	Very high	91.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129	156.2	-173.4	-171	0	0	0	107	L634 F636 L688 V712 M713 F714 R764 A765 Y767	L634-I751 HydrophobicContact CD1-CD1 3.53Å; F636-I751 HydrophobicContact CZ-CD1 4.08Å; F636-I751 HydrophobicContact CZ-CG1 4.36Å; L688-I751 HydrophobicContact CD1-CG2 4.23Å; V712-I751 HydrophobicContact CG1-CD1 3.76Å; V712-I751 HydrophobicContact CG1-CG1 3.9Å; M713-I751 WeakPolarHBondContact O-CA 3.28Å; M713-I751 WeakPolarHBondContact O-CG1 3.29Å; F714-I751 HydrophobicContact CD1-CB 4.4Å; F714-I751 HydrophobicContact CD1-CD1 3.94Å; F714-I751 HydrophobicContact CD1-CG1 3.93Å; F714-I751 HydrophobicContact CE1-CD1 3.34Å; F714-I751 HydrophobicContact CE1-CG1 3.86Å; F714-I751 HydrophobicContact CE2-CD1 4.35Å; F714-I751 HydrophobicContact CG-CG1 4.38Å; F714-I751 HydrophobicContact CZ-CD1 3.58Å; F714-I751 HydrophobicContact CZ-CG1 4.22Å; I751-R764 WeakPolarHBondContact O-CA 3.49Å; I751-A765 HydrophobicContact CG2-CB 3.8Å; I751-A765 PolarHBondContact N-O 2.85Å; I751-A765 PolarHBondContact O-N 3.46Å; I751-Y767 HydrophobicContact CB-CD1 4.34Å
752	Y	94.1	Very high	91.3	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.5	-169.8	59.1	-94.7	0	0	0	112.2	M713 Q715 E750 R759	M713-Y752 HydrophobicContact CB-CD2 4.13Å; M713-Y752 HydrophobicContact CB-CE1 4.42Å; M713-Y752 HydrophobicContact CB-CE2 3.71Å; M713-Y752 HydrophobicContact CG-CE1 4.19Å; M713-Y752 HydrophobicContact CG-CE2 3.87Å; M713-Y752 WeakPolarHBondContact CG-OH 3.02Å; M713-Y752 PolarHBondContact N-O 3.41Å; M713-Y752 PolarHBondContact O-N 2.72Å; M713-Y752 VanDerWaalsContact O-N 3.11Å; Q715-Y752 HydrophobicContact CB-CE1 4.34Å; E750-Y752 HydrophobicContact CB-CD1 3.87Å; E750-Y752 HydrophobicContact CB-CE1 4.5Å; Y752-R759 HydrophobicContact CD2-CG 4.41Å; Y752-R759 VanDerWaalsContact CE2-CZ 3.44Å; Y752-R759 VanDerWaalsContact CE2-NH1 3.29Å
753	C	95.7	Very high	91.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.6	166.3	-173.5	0	0	0	0	110.1	G711 H758 R759 M763	G711-C753 CarbonylContact O-C 3.54Å; C753-H758 HydrophobicContact CB-CB 4Å; C753-R759 WeakPolarHBondContact O-CB 3.41Å; C753-M763 HydrophobicContact CB-CB 4.28Å; C753-M763 HydrophobicContact CB-CG 4.13Å; C753-M763 HydrophobicContact CB-SD 3.8Å; C753-M763 PolarHBondContact N-O 2.85Å; C753-M763 VanDerWaalsContact N-O 3.12Å
754	Q	93.9	Very high	91.7	Very high	15 Å²	15	22.1 Å²	22.1	7%	0.07	12%	0.124	C	C	.	.	S	Bend	trans	-80	-15.6	-176.3	-175.4	53.5	81.1	0	0	113.3	G711 M713 G756 M1047 P1080	G711-Q754 VanDerWaalsContact O-CB 3.23Å; G711-Q754 WeakPolarHBondContact O-CB 3.46Å; G711-Q754 PolarHBondContact O-N 3.48Å; M713-Q754 HydrophobicContact CB-CB 4.31Å; M713-Q754 HydrophobicContact CE-CG 4.43Å; Q754-G756 PolarHBondContact O-N 3.34Å; Q754-M1047 HydrophobicContact CG-CE 4.44Å; Q754-M1047 HydrophobicContact CG-SD 4.18Å; Q754-P1080 HydrophobicContact CG-CB 4.37Å
755	A	91.9	Very high	92.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-65	126.6	166.5	0	0	0	0	0	109.9	S757 H758 R759 G1048 P1080	A755-S757 PolarHBondContact O-N 3.26Å; A755-H758 HydrophobicContact CB-CB 4.44Å; A755-H758 PolarHBondContact O-N 2.86Å; A755-R759 PolarHBondContact O-N 2.86Å; A755-R759 VanDerWaalsContact O-N 3.09Å; A755-G1048 WeakPolarHBondContact CA-O 3.35Å; A755-P1080 HydrophobicContact CB-CB 4.41Å; A755-P1080 HydrophobicContact CB-CG 4.24Å
756	G	86.9	Confident	92.4	Very high	4 Å²	4	20.9 Å²	20.9	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-51.8	-171.3	0	0	0	0	0	113.6	Q754 H758 R759 E760 G1048	Q754-G756 PolarHBondContact O-N 3.34Å; G756-H758 VanDerWaalsContact C-N 3.3Å; G756-H758 PolarHBondContact O-N 3.04Å; G756-R759 WeakPolarHBondContact O-CA 3.21Å; G756-R759 WeakPolarHBondContact O-CB 3.44Å; G756-R759 PolarHBondContact O-N 3.23Å; G756-E760 PolarHBondContact O-N 3.15Å; G756-G1048 PolarHBondContact N-O 2.92Å
757	S	90.8	Very high	92.7	Very high	34 Å²	34	17.8 Å²	17.8	24%	0.238	10%	0.101	C	C	.	.	H	α-helix	trans	-49	-48.7	179.1	64.2	0	0	0	0	112.4	A755 E760 A761 D1050	A755-S757 PolarHBondContact O-N 3.26Å; S757-E760 PolarHBondContact O-N 2.85Å; S757-A761 VanDerWaalsContact O-CB 3.23Å; S757-A761 WeakPolarHBondContact O-CB 3.31Å; S757-A761 PolarHBondContact O-N 3.36Å; S757-D1050 WeakPolarHBondContact CB-OD1 3.42Å; S757-D1050 VanDerWaalsContact OG-CG 3.32Å; S757-D1050 PolarHBondContact OG-OD1 3.04Å
758	H	94.8	Very high	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.7	-39.3	179.7	-71.8	39.9	0	0	0	111.9	H675 T707 H710 C753 A755 G756 G762 M763 D1050	H675-H758 AromaticContact ND1-CG 3.82Å; H675-H758 AromaticContact ND1-ND1 3.8Å; T707-H758 PolarHBondContact O-CE1 3.45Å; T707-H758 PolarHBondContact O-NE2 3.01Å; H710-H758 AromaticContact CE1-CD2 3.27Å; H710-H758 PolarHBondContact CE1-CD2 2.95Å; H710-H758 AromaticContact CE1-NE2 3.42Å; H710-H758 PolarHBondContact CE1-NE2 3.17Å; H710-H758 AromaticContact ND1-CD2 3.42Å; H710-H758 PolarHBondContact ND1-CD2 2.95Å; H710-H758 AromaticContact ND1-NE2 3.92Å; C753-H758 HydrophobicContact CB-CB 4Å; A755-H758 HydrophobicContact CB-CB 4.44Å; A755-H758 PolarHBondContact O-N 2.86Å; G756-H758 VanDerWaalsContact C-N 3.3Å; G756-H758 PolarHBondContact O-N 3.04Å; H758-G762 PolarHBondContact O-N 3.02Å; H758-M763 HydrophobicContact CB-CB 4.29Å; H758-M763 HydrophobicContact CB-SD 4.41Å; H758-M763 WeakPolarHBondContact O-CB 3.46Å; H758-M763 PolarHBondContact O-N 2.78Å; H758-D1050 IonicContact CE1-OD2 3.85Å
759	R	92.4	Very high	93	Very high	20 Å²	20	14.5 Å²	14.5	8%	0.075	7%	0.074	C	C	.	.	H	α-helix	trans	-64.8	-41.5	177.2	-164.6	-179.7	-177.7	165.8	7.8	112	E750 Y752 C753 A755 G756 G762	E750-R759 IonicContact OE2-NH2 3.1Å; Y752-R759 HydrophobicContact CD2-CG 4.41Å; Y752-R759 VanDerWaalsContact CE2-CZ 3.44Å; Y752-R759 VanDerWaalsContact CE2-NH1 3.29Å; C753-R759 WeakPolarHBondContact O-CB 3.41Å; A755-R759 PolarHBondContact O-N 2.86Å; A755-R759 VanDerWaalsContact O-N 3.09Å; G756-R759 WeakPolarHBondContact O-CA 3.21Å; G756-R759 WeakPolarHBondContact O-CB 3.44Å; G756-R759 PolarHBondContact O-N 3.23Å; R759-G762 PolarHBondContact O-N 2.88Å
760	E	91.3	Very high	93.1	Very high	56 Å²	56	15.6 Å²	15.6	26%	0.262	8%	0.084	S	C	.	.	H	α-helix	trans	-71.8	-41.4	177.7	-69.4	-170	161.3	0	0	112.1	I466 F682 G756 S757 G762 I943	I466-E760 HydrophobicContact CD1-CB 4.07Å; I466-E760 HydrophobicContact CD1-CG 4.39Å; I466-E760 WeakPolarHBondContact CG2-O 3.19Å; F682-E760 WeakPolarHBondContact CE1-O 3.4Å; G756-E760 PolarHBondContact O-N 3.15Å; S757-E760 PolarHBondContact O-N 2.85Å; E760-G762 PolarHBondContact O-N 2.88Å; E760-G762 VanDerWaalsContact O-N 3.12Å; E760-I943 HydrophobicContact CG-CD1 3.53Å; E760-I943 WeakPolarHBondContact OE1-CD1 3.49Å
761	A	93.8	Very high	93	Very high	6 Å²	6	20.1 Å²	20.1	5%	0.05	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.1	173	0	0	0	0	0	114.1	F470 H675 F682 S757	F470-A761 HydrophobicContact CE2-CB 4.06Å; F470-A761 HydrophobicContact CZ-CB 3.74Å; H675-A761 HydrophobicContact CB-CB 3.77Å; H675-A761 WeakPolarHBondContact CD2-CB 3.38Å; H675-A761 VanDerWaalsContact CG-CB 3.45Å; F682-A761 VanDerWaalsContact CZ-O 3.27Å; F682-A761 WeakPolarHBondContact CZ-O 3.16Å; S757-A761 VanDerWaalsContact O-CB 3.23Å; S757-A761 WeakPolarHBondContact O-CB 3.31Å; S757-A761 PolarHBondContact O-N 3.36Å
762	G	93.1	Very high	92.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	14.9	166.3	0	0	0	0	0	115.7	F682 H758 R759 E760 R764	F682-G762 PolarHBondContact N-O 2.82Å; H758-G762 PolarHBondContact O-N 3.02Å; R759-G762 PolarHBondContact O-N 2.88Å; E760-G762 PolarHBondContact O-N 2.88Å; E760-G762 VanDerWaalsContact O-N 3.12Å; G762-R764 PolarHBondContact O-N 2.87Å
763	M	96.6	Very high	91.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.			trans	-74.8	65.5	177.3	-162.6	176.7	-76.8	0	0	112.1	F636 T637 V638 H675 I677 H710 C753 H758	F636-M763 HydrophobicContact CB-SD 4.24Å; F636-M763 HydrophobicContact CD1-CG 3.97Å; F636-M763 HydrophobicContact CD1-SD 3.72Å; F636-M763 HydrophobicContact CE1-CG 4.4Å; F636-M763 HydrophobicContact CG-SD 4.45Å; T637-M763 WeakPolarHBondContact O-CE 3.34Å; V638-M763 HydrophobicContact CG2-CE 4.4Å; H675-M763 HydrophobicContact CB-CB 4.34Å; H675-M763 HydrophobicContact CB-CE 3.97Å; I677-M763 HydrophobicContact CD1-CG 4.3Å; I677-M763 HydrophobicContact CG1-CG 3.74Å; H710-M763 VanDerWaalsContact CE1-SD 3.55Å; H710-M763 PolarHBondContact ND1-SD 2.72Å; C753-M763 HydrophobicContact CB-CB 4.28Å; C753-M763 HydrophobicContact CB-CG 4.13Å; C753-M763 HydrophobicContact CB-SD 3.8Å; C753-M763 PolarHBondContact N-O 2.85Å; C753-M763 VanDerWaalsContact N-O 3.12Å; H758-M763 HydrophobicContact CB-CB 4.29Å; H758-M763 HydrophobicContact CB-SD 4.41Å; H758-M763 WeakPolarHBondContact O-CB 3.46Å; H758-M763 PolarHBondContact O-N 2.78Å
764	R	94.9	Very high	90.3	Very high	39 Å²	39	31.5 Å²	31.5	15%	0.147	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.8	175.9	57.3	162	173.3	-103.8	9.6	111.9	D453 S455 S683 E750 I751 G762	D453-R764 IonicContact OD1-CZ 2.75Å; D453-R764 IonicContact OD1-NE 3.81Å; D453-R764 PolarHBondContact OD1-NE 3.5Å; D453-R764 IonicContact OD1-NH2 3.66Å; D453-R764 IonicContact OD2-CZ 3.2Å; D453-R764 IonicContact OD2-NE 2.69Å; D453-R764 IonicContact OD2-NH2 3.78Å; D453-R764 PolarHBondContact OD2-NH2 3.39Å; S455-R764 WeakPolarHBondContact OG-CD 3.49Å; S455-R764 PolarHBondContact OG-NE 2.68Å; S683-R764 VanDerWaalsContact CA-O 3.27Å; S683-R764 WeakPolarHBondContact CA-O 3.28Å; S683-R764 PolarHBondContact N-O 2.89Å; S683-R764 WeakPolarHBondContact OG-CD 3.34Å; S683-R764 WeakPolarHBondContact OG-CG 3.25Å; E750-R764 VanDerWaalsContact OE1-CD 3.3Å; E750-R764 WeakPolarHBondContact OE1-CD 3.24Å; E750-R764 IonicContact OE1-NE 3.69Å; I751-R764 WeakPolarHBondContact O-CA 3.49Å; G762-R764 PolarHBondContact O-N 2.87Å
765	A	95.1	Very high	88.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	168.1	174.4	0	0	0	0	0	110.9	I677 L685 E750 I751	I677-A765 HydrophobicContact CD1-CB 3.91Å; L685-A765 HydrophobicContact CB-CB 3.76Å; L685-A765 HydrophobicContact CD2-CB 3.52Å; L685-A765 HydrophobicContact CG-CB 4.28Å; E750-A765 CarbonylContact C-O 3.55Å; E750-A765 WeakPolarHBondContact CA-O 3.41Å; I751-A765 HydrophobicContact CG2-CB 3.8Å; I751-A765 PolarHBondContact N-O 2.85Å; I751-A765 PolarHBondContact O-N 3.46Å
766	I	94	Very high	86.6	Confident	40 Å²	40	43.3 Å²	43.3	21%	0.205	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	-176.2	-69.4	171.2	0	0	0	110.4	G454 T748 F749	G454-I766 VanDerWaalsContact O-CD1 3.26Å; G454-I766 WeakPolarHBondContact O-CD1 3.34Å; T748-I766 HydrophobicContact CG2-CG2 3.28Å; F749-I766 WeakPolarHBondContact O-CA 3.45Å
767	Y	93.5	Very high	84.9	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.3	168	78	-84.7	0	0	0	112.2	L688 M690 W698 Q715 N717 M741 F749 I751 V769	L688-Y767 WeakPolarHBondContact O-CA 3.48Å; L688-Y767 WeakPolarHBondContact O-CB 3.34Å; M690-Y767 HydrophobicContact CE-CD2 3.63Å; M690-Y767 HydrophobicContact CE-CG 4.19Å; M690-Y767 HydrophobicContact SD-CD2 3.94Å; M690-Y767 HydrophobicContact SD-CE2 4.35Å; W698-Y767 HydrophobicContact CH2-CG 4.34Å; Q715-Y767 PolarHBondContact O-OH 3.31Å; N717-Y767 PolarHBondContact ND2-OH 2.9Å; M741-Y767 HydrophobicContact SD-CE2 4.36Å; F749-Y767 HydrophobicContact CB-CD1 3.94Å; F749-Y767 HydrophobicContact CB-CE1 3.39Å; F749-Y767 HydrophobicContact CB-CE2 4.06Å; F749-Y767 HydrophobicContact CB-CG 4.47Å; F749-Y767 VanDerWaalsContact CB-CZ 3.46Å; F749-Y767 AromaticContact CD2-CE2 3.9Å; F749-Y767 HydrophobicContact CD2-CE2 3.9Å; F749-Y767 HydrophobicContact CG-CE1 4.41Å; F749-Y767 HydrophobicContact CG-CE2 4.35Å; F749-Y767 AromaticContact CG-CZ 3.99Å; F749-Y767 PolarHBondContact N-O 3.31Å; F749-Y767 WeakPolarHBondContact O-CD1 3.45Å; F749-Y767 PolarHBondContact O-N 3.49Å; I751-Y767 HydrophobicContact CB-CD1 4.34Å; Y767-V769 HydrophobicContact CD2-CG2 4.01Å; Y767-V769 HydrophobicContact CE2-CG2 3.77Å
768	N	93	Very high	83	Confident	52 Å²	52	51 Å²	51	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118.3	-168.2	172	31.2	0	0	0	110.5	L688 D689 M690	L688-N768 PolarHBondContact O-N 3.07Å; D689-N768 PolarHBondContact OD1-ND2 3.02Å; M690-N768 PolarHBondContact N-O 2.94Å
769	V	92.3	Very high	81	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.9	179.2	-171.3	0	0	0	0	109.7	M690 K692 P743 N745 L746 G747 F749 Y767	M690-V769 HydrophobicContact CG-CB 4.49Å; M690-V769 HydrophobicContact CG-CG2 4Å; M690-V769 HydrophobicContact SD-CG2 4.11Å; K692-V769 HydrophobicContact CB-CG1 4.02Å; P743-V769 HydrophobicContact CB-CB 4.45Å; P743-V769 HydrophobicContact CB-CG1 3.78Å; P743-V769 HydrophobicContact CB-CG2 3.76Å; P743-V769 HydrophobicContact CG-CG1 4.05Å; P743-V769 HydrophobicContact CG-CG2 4.46Å; N745-V769 VanDerWaalsContact O-CB 3.28Å; N745-V769 WeakPolarHBondContact O-CB 3.35Å; N745-V769 VanDerWaalsContact O-CG1 3.23Å; N745-V769 WeakPolarHBondContact O-CG1 3.45Å; L746-V769 HydrophobicContact CD2-CG1 4.4Å; L746-V769 WeakPolarHBondContact CD2-O 3.26Å; G747-V769 PolarHBondContact N-O 2.76Å; G747-V769 PolarHBondContact O-N 3.04Å; F749-V769 HydrophobicContact CD2-CG2 4.04Å; F749-V769 HydrophobicContact CE2-CB 4.29Å; F749-V769 HydrophobicContact CE2-CG2 3.99Å; Y767-V769 HydrophobicContact CD2-CG2 4.01Å; Y767-V769 HydrophobicContact CE2-CG2 3.77Å
770	S	91.8	Very high	79.2	Confident	44 Å²	44	66.8 Å²	66.8	31%	0.308	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	159.3	-174.6	69.2	0	0	0	0	113.5	M690 C691 K692 C772	M690-S770 PolarHBondContact O-N 3.1Å; M690-S770 PolarHBondContact O-OG 3.47Å; M690-S770 VanDerWaalsContact O-OG 3.07Å; C691-S770 CarbonylContact C-O 3.44Å; C691-S770 WeakPolarHBondContact CA-O 3.24Å; K692-S770 PolarHBondContact N-O 3.37Å; S770-C772 PolarHBondContact O-N 3.17Å; S770-C772 PolarHBondContact OG-SG 2.94Å; S770-C772 VanDerWaalsContact OG-SG 3.32Å
771	Q	89.8	Confident	77.7	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	39%	0.385	S	S	.	.			trans	-91.7	92	177.7	-175.9	60.5	78.9	0	0	111.1	L746	L746-Q771 HydrophobicContact CD1-CB 4.49Å; L746-Q771 HydrophobicContact CD2-CB 4.2Å
772	C	86.9	Confident	76.2	Confident	30 Å²	30	76 Å²	76	20%	0.203	42%	0.419	C	S	.	.			trans	-86.2	155	-176.2	-58.9	0	0	0	0	114.1	C691 S770 G774	C691-C772 HydrophobicContact CB-CB 3.49Å; C691-C772 VanDerWaalsContact CB-CB 3.49Å; C691-C772 WeakPolarHBondContact CB-SG 3.42Å; C691-C772 WeakPolarHBondContact SG-CB 3.43Å; C691-C772 CovalentContact SG-SG 2.02Å; C691-C772 PolarHBondContact SG-SG 3.29Å; S770-C772 PolarHBondContact O-N 3.17Å; S770-C772 PolarHBondContact OG-SG 2.94Å; S770-C772 VanDerWaalsContact OG-SG 3.32Å; C772-G774 PolarHBondContact O-N 3.44Å
773	P	73.3	Confident	75.2	Confident	139 Å²	139	79.1 Å²	79.1	90%	0.903	43%	0.431	S	S	*	.	S	Bend	trans	-79.3	110.2	178.1	31.3	-33.8	0	0	0	112
774	G	66.1	Low	73.8	Confident	72 Å²	72	86 Å²	86	74%	0.742	46%	0.464	S	S	*	.	S	Bend	trans	154.4	-45.1	174.7	0	0	0	0	0	111.6	C772 Q776	C772-G774 PolarHBondContact O-N 3.44Å; G774-Q776 PolarHBondContact O-N 3.37Å
775	H	58.5	Low	73.1	Confident	83 Å²	83	86.5 Å²	86.5	38%	0.384	48%	0.476	S	S	.	.	S	Bend	trans	-71.3	122.9	173.3	-68.4	123.5	0	0	0	111	D694	D694-H775 IonicContact OD1-CE1 3.31Å; D694-H775 PolarHBondContact OD1-CE1 3.47Å; D694-H775 IonicContact OD1-ND1 2.79Å
776	Q	50.4	Low	72.6	Confident	181 Å²	181	89.9 Å²	89.9	85%	0.846	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-69.7	144.9	170.2	-69.7	-169.6	-6.5	0	0	109.5	G774 T778	G774-Q776 PolarHBondContact O-N 3.37Å; Q776-T778 PolarHBondContact O-N 3.28Å; Q776-T778 VanDerWaalsContact O-N 3.08Å
777	A	50.7	Low	72.4	Confident	93 Å²	93	90.2 Å²	90.2	77%	0.769	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-57.7	117.3	170.7	0	0	0	0	0	109.4
778	T	51.9	Low	72.5	Confident	107 Å²	107	94.5 Å²	94.5	66%	0.656	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57	142.1	174.7	37.6	0	0	0	0	109.9	Q776 R780	Q776-T778 PolarHBondContact O-N 3.28Å; Q776-T778 VanDerWaalsContact O-N 3.08Å; T778-R780 PolarHBondContact O-N 2.89Å
779	P	51.7	Low	72.5	Confident	122 Å²	122	93.3 Å²	93.3	79%	0.792	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-56.1	132.3	178.6	-23.8	33.6	0	0	0	110.1	Q781	P779-Q781 PolarHBondContact O-N 3.18Å
780	R	54.4	Low	72.8	Confident	228 Å²	228	96 Å²	96	86%	0.86	53%	0.526	S	S	*	.			trans	-54.1	111.3	174.7	-83.4	-175	169.7	-176.2	-5.1	109.2	T778 H782	T778-R780 PolarHBondContact O-N 2.89Å; R780-H782 PolarHBondContact O-N 2.93Å; R780-H782 PolarHBondContact O-ND1 3.35Å
781	Q	59.8	Low	73	Confident	92 Å²	92	94 Å²	94	43%	0.43	51%	0.512	S	S	.	.			trans	-52.8	126.3	174.8	-106.2	172.9	-11.8	0	0	108.6	P779 Y783	P779-Q781 PolarHBondContact O-N 3.18Å; Q781-Y783 HydrophobicContact CB-CE2 4.36Å; Q781-Y783 WeakPolarHBondContact O-CD2 3.45Å; Q781-Y783 PolarHBondContact O-N 2.86Å
782	H	61.8	Low	73.4	Confident	164 Å²	164	89.3 Å²	89.3	76%	0.759	49%	0.49	S	S	*	.			trans	-85.9	91.9	178.4	-81	39.7	0	0	0	108	R780 Q784	R780-H782 PolarHBondContact O-N 2.93Å; R780-H782 PolarHBondContact O-ND1 3.35Å; H782-Q784 VanDerWaalsContact O-CG 3.26Å; H782-Q784 WeakPolarHBondContact O-CG 3.5Å
783	Y	73.8	Confident	73.9	Confident	66 Å²	66	87.9 Å²	87.9	26%	0.259	48%	0.48	S	S	.	.			trans	-60.4	139.7	168.3	-53.3	-79.4	0	0	0	109.7	Q781 G873 I875 N917	Q781-Y783 HydrophobicContact CB-CE2 4.36Å; Q781-Y783 WeakPolarHBondContact O-CD2 3.45Å; Q781-Y783 PolarHBondContact O-N 2.86Å; Y783-G873 CarbonylContact C-O 3.47Å; Y783-G873 WeakPolarHBondContact CA-O 3.1Å; Y783-I875 HydrophobicContact CD1-CG1 4.36Å; Y783-I875 HydrophobicContact CD2-CD1 4.41Å; Y783-I875 HydrophobicContact CD2-CG1 4.4Å; Y783-I875 HydrophobicContact CG-CD1 4.28Å; Y783-I875 HydrophobicContact CG-CG1 3.88Å; Y783-N917 HydrophobicContact CE1-CB 3.88Å; Y783-N917 HydrophobicContact CE2-CB 4.2Å
784	Q	66.4	Low	75	Confident	145 Å²	145	83.5 Å²	83.5	68%	0.678	45%	0.448	S	S	*	.			trans	-117.4	-27.7	-164	-61.5	-168.1	-26.6	0	0	114.6	H782 G873	H782-Q784 VanDerWaalsContact O-CG 3.26Å; H782-Q784 WeakPolarHBondContact O-CG 3.5Å; Q784-G873 PolarHBondContact N-O 2.82Å
785	A	79.4	Confident	76.5	Confident	49 Å²	49	82.8 Å²	82.8	41%	0.405	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156	174.4	0	0	0	0	0	110.2	D874 I875	A785-D874 WeakPolarHBondContact O-CA 3.37Å; A785-I875 PolarHBondContact O-N 3.42Å
786	A	85.2	Confident	78.3	Confident	70 Å²	70	80.4 Å²	80.4	58%	0.579	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	127.5	172.9	0	0	0	0	0	108.7	I875	A786-I875 CarbonylContact C-O 3.6Å; A786-I875 VanDerWaalsContact CA-O 3.26Å; A786-I875 WeakPolarHBondContact CA-O 3.48Å
787	R	90.8	Very high	80.5	Confident	48 Å²	48	77.8 Å²	77.8	18%	0.181	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.9	173.4	-57	-177.4	-168.6	-109.2	-1.2	108.1	Y789 K869 D874 I875 L876 T877	R787-Y789 HydrophobicContact CB-CE2 4.01Å; R787-K869 VanDerWaalsContact CD-O 3.32Å; R787-K869 WeakPolarHBondContact CD-O 3.47Å; R787-D874 IonicContact CZ-OD2 3.65Å; R787-D874 IonicContact NE-OD2 3.02Å; R787-D874 PolarHBondContact NE-OD2 2.98Å; R787-D874 IonicContact NH2-OD2 3.73Å; R787-D874 PolarHBondContact NH2-OD2 3.42Å; R787-D874 VanDerWaalsContact NH2-OD2 3.14Å; R787-I875 PolarHBondContact N-O 3.43Å; R787-L876 HydrophobicContact CB-CD2 3.84Å; R787-L876 HydrophobicContact CG-CD2 4.19Å; R787-T877 PolarHBondContact O-N 3.29Å
788	I	93.7	Very high	82.8	Confident	91 Å²	91	74.7 Å²	74.7	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.3	-177.6	-51.3	177.9	0	0	0	108.4	Y790 T877 V879	I788-Y790 HydrophobicContact CG2-CE1 3.94Å; I788-Y790 HydrophobicContact CG2-CE2 3.98Å; I788-T877 WeakPolarHBondContact CA-O 3.4Å; I788-V879 HydrophobicContact CG2-CG2 4.03Å
789	Y	95	Very high	84.9	Confident	26 Å²	26	70.6 Å²	70.6	10%	0.102	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.5	176.3	-70.5	-87.6	0	0	0	109	R787 E842 I868 K869 T877 V879	R787-Y789 HydrophobicContact CB-CE2 4.01Å; Y789-E842 WeakPolarHBondContact CD1-OE1 3.32Å; Y789-I868 HydrophobicContact CD2-CG2 3.9Å; Y789-I868 HydrophobicContact CE2-CG2 3.7Å; Y789-I868 HydrophobicContact CG-CG2 4.41Å; Y789-K869 PolarHBondContact OH-N 2.85Å; Y789-K869 PolarHBondContact OH-O 3.21Å; Y789-T877 PolarHBondContact N-O 3.03Å; Y789-V879 PolarHBondContact O-N 3.35Å
790	Y	97	Very high	87.1	Confident	61 Å²	61	64.8 Å²	64.8	24%	0.239	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.2	177.7	-56.8	-81.2	0	0	0	108.6	I788 E842 Y843 G846 V879	I788-Y790 HydrophobicContact CG2-CE1 3.94Å; I788-Y790 HydrophobicContact CG2-CE2 3.98Å; Y790-E842 CarbonylContact O-C 3.47Å; Y790-E842 WeakPolarHBondContact O-CA 3.26Å; Y790-Y843 PolarHBondContact O-N 2.85Å; Y790-G846 VanDerWaalsContact CD1-CA 3.45Å; Y790-G846 VanDerWaalsContact CE1-N 3.28Å; Y790-V879 WeakPolarHBondContact CA-O 3.36Å; Y790-V879 HydrophobicContact CD1-CB 3.71Å; Y790-V879 HydrophobicContact CD1-CG1 4.08Å; Y790-V879 HydrophobicContact CD1-CG2 4.05Å; Y790-V879 HydrophobicContact CE1-CB 4.09Å; Y790-V879 HydrophobicContact CE1-CG1 4.42Å; Y790-V879 HydrophobicContact CE1-CG2 3.91Å
791	I	97.3	Very high	89.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.5	-171.9	-59.8	-176.7	0	0	0	110	F840 R841 F848 P866 I868 V878 V879 F880 K881 Y936	I791-F840 HydrophobicContact CG2-CB 4.02Å; I791-F840 HydrophobicContact CG2-CD1 3.83Å; I791-F840 HydrophobicContact CG2-CG 4.24Å; I791-R841 CarbonylContact C-O 3.54Å; I791-R841 VanDerWaalsContact CA-O 3.28Å; I791-R841 WeakPolarHBondContact CA-O 3.4Å; I791-F848 WeakPolarHBondContact O-CE1 3.39Å; I791-P866 HydrophobicContact CD1-CG 3.87Å; I791-P866 HydrophobicContact CG1-CG 4.14Å; I791-I868 HydrophobicContact CD1-CD1 3.66Å; I791-I868 HydrophobicContact CD1-CG1 4.17Å; I791-V878 HydrophobicContact CB-CG1 4.27Å; I791-V878 HydrophobicContact CD1-CG1 3.94Å; I791-V878 HydrophobicContact CG1-CG1 4.21Å; I791-V879 PolarHBondContact N-O 3.05Å; I791-F880 HydrophobicContact CG2-CD2 4.39Å; I791-F880 CarbonylContact O-C 3.55Å; I791-F880 VanDerWaalsContact O-CA 3.27Å; I791-F880 WeakPolarHBondContact O-CA 3.39Å; I791-F880 WeakPolarHBondContact O-CD2 3.18Å; I791-K881 PolarHBondContact O-N 2.9Å; I791-Y936 HydrophobicContact CD1-CE2 4.49Å
792	M	97.1	Very high	90.8	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144	170	-163.1	-173.2	-61.2	0	0	110.2	F840 R841 Y843 F848 K881 N883	M792-F840 CarbonylContact O-C 3.56Å; M792-F840 WeakPolarHBondContact O-CA 3.28Å; M792-R841 PolarHBondContact N-O 3.05Å; M792-R841 PolarHBondContact O-N 3.02Å; M792-Y843 HydrophobicContact CB-CD2 4.01Å; M792-Y843 HydrophobicContact CB-CE2 3.46Å; M792-Y843 VanDerWaalsContact CB-CE2 3.46Å; M792-Y843 HydrophobicContact CE-CD2 4.42Å; M792-Y843 HydrophobicContact CE-CE1 3.93Å; M792-Y843 HydrophobicContact CE-CE2 3.77Å; M792-Y843 VanDerWaalsContact CE-CZ 3.48Å; M792-Y843 HydrophobicContact CG-CE2 4.47Å; M792-Y843 HydrophobicContact SD-CE2 4.35Å; M792-F848 HydrophobicContact CB-CD1 4.36Å; M792-F848 HydrophobicContact CE-CB 3.59Å; M792-F848 HydrophobicContact CE-CD1 4.02Å; M792-F848 HydrophobicContact CE-CG 4.14Å; M792-K881 VanDerWaalsContact CA-O 3.26Å; M792-K881 WeakPolarHBondContact CA-O 3.37Å; M792-K881 HydrophobicContact CE-CD 4.24Å; M792-K881 HydrophobicContact CG-CB 4.26Å; M792-K881 HydrophobicContact CG-CG 4.36Å; M792-K881 WeakPolarHBondContact CG-O 3.27Å; M792-N883 HydrophobicContact CG-CB 3.7Å; M792-N883 HydrophobicContact SD-CB 3.32Å; M792-N883 WeakPolarHBondContact SD-CB 3.31Å
793	A	97.3	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.8	156.3	0	0	0	0	0	108.6	V839 F840 F880 K881 N883 A884 Y888 L950	A793-V839 WeakPolarHBondContact CA-O 3.12Å; A793-F840 HydrophobicContact CB-CD1 4.41Å; A793-F840 HydrophobicContact CB-CE1 4.44Å; A793-F880 HydrophobicContact CB-CE2 3.71Å; A793-F880 HydrophobicContact CB-CZ 3.65Å; A793-K881 PolarHBondContact N-O 2.56Å; A793-N883 CarbonylContact O-C 3.59Å; A793-N883 WeakPolarHBondContact O-CA 3.44Å; A793-N883 WeakPolarHBondContact O-CB 3.44Å; A793-N883 PolarHBondContact O-N 3.23Å; A793-A884 PolarHBondContact O-N 3.46Å; A793-Y888 HydrophobicContact CB-CD2 4.38Å; A793-L950 HydrophobicContact CB-CD2 4.02Å
794	E	95.8	Very high	93.2	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.3	177.6	59.7	172.3	-151.6	0	0	111.1	V796 A838 V839 R841 Y843	E794-V796 HydrophobicContact CG-CG1 4.07Å; E794-V796 WeakPolarHBondContact OE1-CG1 3.49Å; E794-A838 CarbonylContact O-C 3.58Å; E794-A838 WeakPolarHBondContact O-CA 3.38Å; E794-V839 HydrophobicContact CG-CG2 3.8Å; E794-V839 PolarHBondContact N-O 3.38Å; E794-V839 PolarHBondContact O-N 2.91Å; E794-R841 VanDerWaalsContact CD-CG 3.45Å; E794-R841 HydrophobicContact CG-CG 3.86Å; E794-R841 WeakPolarHBondContact OE1-CG 3.39Å; E794-R841 IonicContact OE1-NE 2.79Å; E794-Y843 PolarHBondContact OE2-OH 3.16Å
795	E	97.6	Very high	94.3	Very high	57 Å²	57	44 Å²	44	27%	0.266	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.9	172.1	-70	-179.6	178.3	0	0	110	K836 K837 A884 S885 Y989	E795-K836 IonicContact OE1-NZ 2.69Å; E795-K836 WeakPolarHBondContact OE2-CE 3.4Å; E795-K836 IonicContact OE2-NZ 2.66Å; E795-K836 PolarHBondContact OE2-NZ 3.36Å; E795-K837 CarbonylContact C-O 3.6Å; E795-K837 WeakPolarHBondContact CA-O 3.49Å; E795-A884 HydrophobicContact CG-CB 3.79Å; E795-S885 VanDerWaalsContact OE1-CB 3.23Å; E795-S885 WeakPolarHBondContact OE1-CB 3.5Å; E795-S885 PolarHBondContact OE1-N 2.85Å; E795-S885 PolarHBondContact OE1-OG 2.76Å; E795-Y989 VanDerWaalsContact CD-OH 3.29Å; E795-Y989 HydrophobicContact CG-CE1 4.33Å; E795-Y989 WeakPolarHBondContact CG-OH 3.46Å; E795-Y989 VanDerWaalsContact OE1-CE1 3.31Å; E795-Y989 WeakPolarHBondContact OE1-CE1 3.5Å; E795-Y989 PolarHBondContact OE1-OH 2.88Å
796	V	96.8	Very high	94.9	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.5	-175.9	-60.6	0	0	0	0	111.3	E794 K836 K837 V839	E794-V796 HydrophobicContact CG-CG1 4.07Å; E794-V796 WeakPolarHBondContact OE1-CG1 3.49Å; V796-K836 WeakPolarHBondContact O-CA 3.41Å; V796-K837 PolarHBondContact N-O 3.28Å; V796-K837 PolarHBondContact O-N 2.98Å; V796-V839 HydrophobicContact CG1-CG2 3.94Å; V796-V839 HydrophobicContact CG2-CG1 4.07Å; V796-V839 HydrophobicContact CG2-CG2 3.71Å
797	E	97.6	Very high	95.1	Very high	125 Å²	125	39.4 Å²	39.4	58%	0.584	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.2	158.2	-174.7	-178.1	-145.3	0	0	107.5	H997	E797-H997 IonicContact OE1-CE1 3Å
798	W	97.9	Very high	95	Very high	28 Å²	28	40.1 Å²	40.1	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	177.5	-170.2	-100.3	0	0	0	109.6	Y800 R834 Y835 K837 I863 G1023 K1024	W798-Y800 AromaticContact CD1-CD2 4Å; W798-Y800 AromaticContact CD1-CE1 3.99Å; W798-Y800 AromaticContact CD1-CE2 3.91Å; W798-Y800 AromaticContact CD1-CZ 3.92Å; W798-Y800 AromaticContact NE1-CD1 3.91Å; W798-Y800 AromaticContact NE1-CE1 3.97Å; W798-R834 WeakPolarHBondContact O-CA 3.36Å; W798-Y835 PolarHBondContact N-O 3.47Å; W798-Y835 PolarHBondContact O-N 2.97Å; W798-K837 HydrophobicContact CB-CB 4.15Å; W798-K837 HydrophobicContact CB-CD 3.69Å; W798-K837 HydrophobicContact CB-CG 3.82Å; W798-K837 HydrophobicContact CG-CD 3.86Å; W798-I863 HydrophobicContact CD2-CG1 4.49Å; W798-I863 HydrophobicContact CH2-CB 4.13Å; W798-I863 VanDerWaalsContact CH2-N 3.32Å; W798-I863 HydrophobicContact CZ2-CB 3.74Å; W798-I863 HydrophobicContact CZ2-CG1 4.44Å; W798-G1023 WeakPolarHBondContact CZ2-O 3.4Å; W798-G1023 PolarHBondContact NE1-O 2.89Å; W798-K1024 HydrophobicContact CZ2-CD 4.26Å; W798-K1024 VanDerWaalsContact CZ2-CE 3.42Å
799	D	97.8	Very high	94.6	Very high	22 Å²	22	42.5 Å²	42.5	12%	0.118	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115	174.4	-170	-21	0	0	0	108.6	C801 P802 S833 R834 K1024	D799-C801 VanDerWaalsContact OD1-C 3.27Å; D799-C801 PolarHBondContact OD1-N 2.77Å; D799-P802 HydrophobicContact CB-CG 4.05Å; D799-S833 CarbonylContact C-O 3.51Å; D799-S833 WeakPolarHBondContact CA-O 3.47Å; D799-S833 WeakPolarHBondContact OD1-CB 3.4Å; D799-S833 PolarHBondContact OD1-OG 2.94Å; D799-R834 HydrophobicContact CB-CG 3.96Å; D799-R834 IonicContact OD2-CZ 3.62Å; D799-R834 VanDerWaalsContact OD2-CZ 3.22Å; D799-R834 IonicContact OD2-NE 2.73Å; D799-R834 PolarHBondContact OD2-NE 2.98Å; D799-R834 IonicContact OD2-NH2 2.71Å; D799-R834 PolarHBondContact OD2-NH2 2.97Å; D799-K1024 PolarHBondContact O-NZ 3.18Å
800	Y	97.9	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-71.3	-31.8	-177.4	-77.6	-84.8	0	0	0	113	W798 S833 Y835 K837 F982 E984 M1018 A1020 G1023 K1024 L1025	W798-Y800 AromaticContact CD1-CD2 4Å; W798-Y800 AromaticContact CD1-CE1 3.99Å; W798-Y800 AromaticContact CD1-CE2 3.91Å; W798-Y800 AromaticContact CD1-CZ 3.92Å; W798-Y800 AromaticContact NE1-CD1 3.91Å; W798-Y800 AromaticContact NE1-CE1 3.97Å; Y800-S833 PolarHBondContact N-O 3.34Å; Y800-Y835 AromaticContact CD2-CD2 3.64Å; Y800-Y835 HydrophobicContact CD2-CD2 3.64Å; Y800-Y835 AromaticContact CD2-CE2 3.99Å; Y800-Y835 HydrophobicContact CD2-CE2 3.99Å; Y800-Y835 AromaticContact CE2-CD2 3.43Å; Y800-Y835 HydrophobicContact CE2-CD2 3.43Å; Y800-Y835 VanDerWaalsContact CE2-CD2 3.43Å; Y800-Y835 AromaticContact CE2-CE2 3.98Å; Y800-Y835 HydrophobicContact CE2-CE2 3.98Å; Y800-Y835 HydrophobicContact CE2-CG 4.16Å; Y800-K837 HydrophobicContact CE2-CD 4.34Å; Y800-K837 WeakPolarHBondContact OH-CD 3.5Å; Y800-K837 VanDerWaalsContact OH-CE 3.28Å; Y800-K837 WeakPolarHBondContact OH-CE 3.44Å; Y800-K837 PolarHBondContact OH-NZ 3.01Å; Y800-K837 VanDerWaalsContact OH-NZ 3.15Å; Y800-F982 HydrophobicContact CE1-CB 4.15Å; Y800-F982 HydrophobicContact CE1-CD2 4.29Å; Y800-F982 HydrophobicContact CE1-CG 4.26Å; Y800-F982 WeakPolarHBondContact OH-CB 3.25Å; Y800-E984 VanDerWaalsContact CE2-OE1 3.3Å; Y800-E984 WeakPolarHBondContact CE2-OE1 3.33Å; Y800-E984 PolarHBondContact OH-OE1 3.18Å; Y800-M1018 HydrophobicContact CD1-CB 3.82Å; Y800-M1018 HydrophobicContact CD1-CG 4.39Å; Y800-M1018 HydrophobicContact CD2-CB 4.24Å; Y800-M1018 HydrophobicContact CD2-CE 3.97Å; Y800-M1018 HydrophobicContact CD2-CG 3.9Å; Y800-M1018 HydrophobicContact CE1-CB 3.64Å; Y800-M1018 HydrophobicContact CE1-CG 4.22Å; Y800-M1018 HydrophobicContact CE2-CB 4.07Å; Y800-M1018 HydrophobicContact CE2-CG 3.7Å; Y800-M1018 HydrophobicContact CG-CB 4.12Å; Y800-M1018 HydrophobicContact CG-CE 3.94Å; Y800-M1018 HydrophobicContact CG-CG 4.24Å; Y800-A1020 HydrophobicContact CD1-CB 4.44Å; Y800-G1023 VanDerWaalsContact CD1-O 3.31Å; Y800-G1023 WeakPolarHBondContact CD1-O 3.36Å; Y800-K1024 WeakPolarHBondContact O-CA 3.43Å; Y800-L1025 HydrophobicContact CD1-CD1 4.04Å; Y800-L1025 PolarHBondContact O-N 2.95Å
801	C	96.6	Very high	92.9	Very high	4 Å²	4	41 Å²	41	3%	0.027	21%	0.208	C	C	.	.			trans	-138	72.3	-178.6	-166.1	0	0	0	0	111	D799 D803 L824 N1028	D799-C801 VanDerWaalsContact OD1-C 3.27Å; D799-C801 PolarHBondContact OD1-N 2.77Å; C801-D803 PolarHBondContact O-N 2.87Å; C801-L824 HydrophobicContact CB-CD1 3.87Å; C801-L824 HydrophobicContact CB-CD2 3.67Å; C801-L824 HydrophobicContact CB-CG 4.44Å; C801-N1028 PolarHBondContact SG-ND2 3.48Å
802	P	95.1	Very high	91.6	Very high	77 Å²	77	48.1 Å²	48.1	50%	0.5	25%	0.246	S	C	.	.	S	Bend	trans	-59.6	-24.3	-179.8	-24.5	32.7	0	0	0	114.9	D799 N1028	D799-P802 HydrophobicContact CB-CG 4.05Å; P802-N1028 VanDerWaalsContact CD-OD1 3.29Å; P802-N1028 WeakPolarHBondContact CD-OD1 3.3Å
803	D	93.4	Very high	90	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	26%	0.259	S	S	.	.			trans	-134.4	111.7	-179.1	-174.8	-0.3	0	0	0	110.6	C801 S805 N1028	C801-D803 PolarHBondContact O-N 2.87Å; D803-S805 WeakPolarHBondContact OD1-CB 3.42Å; D803-S805 PolarHBondContact OD1-N 2.93Å; D803-S805 PolarHBondContact OD1-OG 3.06Å; D803-S805 PolarHBondContact OD2-OG 2.92Å; D803-N1028 PolarHBondContact N-OD1 2.77Å; D803-N1028 PolarHBondContact O-ND2 3.17Å; D803-N1028 PolarHBondContact O-OD1 2.66Å
804	R	91.4	Very high	88.5	Confident	43 Å²	43	54 Å²	54	16%	0.162	28%	0.28	C	S	.	.			trans	-91.9	5.9	177.7	-64.4	-176.6	68.2	-170	-1.6	113.5	W806 E807 L808 E815 L824	R804-W806 VanDerWaalsContact C-N 3.3Å; R804-W806 PolarHBondContact O-N 2.95Å; R804-E807 WeakPolarHBondContact CB-OE2 3.21Å; R804-E807 WeakPolarHBondContact CG-OE2 3.41Å; R804-E807 IonicContact CZ-OE1 3.69Å; R804-E807 IonicContact CZ-OE2 3.22Å; R804-E807 IonicContact NE-OE1 2.75Å; R804-E807 IonicContact NE-OE2 3.08Å; R804-E807 PolarHBondContact NE-OE2 2.89Å; R804-E807 IonicContact NH2-OE1 2.84Å; R804-E807 PolarHBondContact NH2-OE1 2.87Å; R804-E807 IonicContact NH2-OE2 2.75Å; R804-E807 PolarHBondContact NH2-OE2 2.86Å; R804-L808 HydrophobicContact CB-CD1 4.42Å; R804-L808 VanDerWaalsContact O-CG 3.31Å; R804-L808 WeakPolarHBondContact O-CG 3.38Å; R804-L808 PolarHBondContact O-N 3.1Å; R804-L808 VanDerWaalsContact O-N 3.16Å; R804-E815 IonicContact NH1-OE1 2.71Å; R804-E815 PolarHBondContact NH1-OE1 2.75Å; R804-L824 HydrophobicContact CG-CD1 4.08Å
805	S	90	Very high	87.5	Confident	64 Å²	64	55.5 Å²	55.5	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-39.3	-179	58	0	0	0	0	112.6	D803 E809	D803-S805 WeakPolarHBondContact OD1-CB 3.42Å; D803-S805 PolarHBondContact OD1-N 2.93Å; D803-S805 PolarHBondContact OD1-OG 3.06Å; D803-S805 PolarHBondContact OD2-OG 2.92Å; S805-E809 VanDerWaalsContact O-CB 3.27Å; S805-E809 WeakPolarHBondContact O-CB 3.05Å; S805-E809 PolarHBondContact O-N 3.04Å
806	W	91.4	Very high	86.2	Confident	22 Å²	22	59.6 Å²	59.6	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-45.2	-179.2	-171.9	91.5	0	0	0	112.7	P196 R804 L808 E809 W810 Y1026 A1027 L1097 E1111 L1113	P196-W806 HydrophobicContact CB-CG 4.37Å; P196-W806 HydrophobicContact CG-CD2 4.27Å; P196-W806 HydrophobicContact CG-CG 4.1Å; P196-W806 PolarHBondContact O-NE1 2.7Å; R804-W806 VanDerWaalsContact C-N 3.3Å; R804-W806 PolarHBondContact O-N 2.95Å; W806-L808 PolarHBondContact O-N 3.15Å; W806-E809 PolarHBondContact O-N 3.29Å; W806-W810 AromaticContact CH2-CE3 3.33Å; W806-W810 HydrophobicContact CH2-CE3 3.33Å; W806-W810 AromaticContact CH2-CZ3 3.36Å; W806-W810 HydrophobicContact CH2-CZ3 3.36Å; W806-W810 AromaticContact CZ2-CE3 3.66Å; W806-W810 HydrophobicContact CZ2-CE3 3.66Å; W806-W810 AromaticContact CZ2-CZ3 3.75Å; W806-W810 HydrophobicContact CZ2-CZ3 3.75Å; W806-W810 AromaticContact CZ3-CE3 3.81Å; W806-W810 HydrophobicContact CZ3-CE3 3.81Å; W806-W810 HydrophobicContact CZ3-CZ3 4.2Å; W806-W810 PolarHBondContact O-N 2.61Å; W806-Y1026 VanDerWaalsContact CE3-C 3.44Å; W806-A1027 HydrophobicContact CD2-CB 3.59Å; W806-A1027 VanDerWaalsContact CE2-CB 3.46Å; W806-A1027 HydrophobicContact CE3-CB 3.85Å; W806-A1027 HydrophobicContact CG-CB 4.17Å; W806-A1027 HydrophobicContact CH2-CB 3.79Å; W806-A1027 HydrophobicContact CZ2-CB 3.58Å; W806-A1027 HydrophobicContact CZ3-CB 3.95Å; W806-L1097 HydrophobicContact CH2-CD1 4.23Å; W806-L1097 HydrophobicContact CZ2-CD1 4.26Å; W806-E1111 HydrophobicContact CH2-CG 3.84Å; W806-E1111 HydrophobicContact CZ3-CG 3.92Å; W806-E1111 WeakPolarHBondContact CZ3-OE1 3.16Å; W806-L1113 HydrophobicContact CZ2-CD2 4.18Å; W806-L1113 HydrophobicContact CZ2-CG 4.31Å
807	E	90.6	Very high	85.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-53	-51.2	171.7	176.7	-151.9	152.6	0	0	111.5	R804 W810 H811 S818 L824 Y1026	R804-E807 WeakPolarHBondContact CB-OE2 3.21Å; R804-E807 WeakPolarHBondContact CG-OE2 3.41Å; R804-E807 IonicContact CZ-OE1 3.69Å; R804-E807 IonicContact CZ-OE2 3.22Å; R804-E807 IonicContact NE-OE1 2.75Å; R804-E807 IonicContact NE-OE2 3.08Å; R804-E807 PolarHBondContact NE-OE2 2.89Å; R804-E807 IonicContact NH2-OE1 2.84Å; R804-E807 PolarHBondContact NH2-OE1 2.87Å; R804-E807 IonicContact NH2-OE2 2.75Å; R804-E807 PolarHBondContact NH2-OE2 2.86Å; E807-W810 PolarHBondContact O-N 2.58Å; E807-H811 PolarHBondContact O-CD2 3.11Å; E807-H811 VanDerWaalsContact O-CD2 3.3Å; E807-H811 PolarHBondContact O-N 2.96Å; E807-H811 VanDerWaalsContact O-N 3.07Å; E807-S818 WeakPolarHBondContact OE1-CB 3.13Å; E807-S818 PolarHBondContact OE1-OG 2.84Å; E807-L824 WeakPolarHBondContact OE2-CD1 3.32Å; E807-Y1026 HydrophobicContact CB-CD1 4.31Å; E807-Y1026 HydrophobicContact CB-CG 4.11Å; E807-Y1026 HydrophobicContact CG-CD1 4.15Å; E807-Y1026 HydrophobicContact CG-CD2 4.43Å; E807-Y1026 HydrophobicContact CG-CE1 4.36Å; E807-Y1026 HydrophobicContact CG-CG 4.2Å
808	L	87.4	Confident	84.5	Confident	62 Å²	62	57.2 Å²	57.2	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-73.5	-28.7	-176.3	-63.8	172.1	0	0	0	112.6	R804 W806 N812	R804-L808 HydrophobicContact CB-CD1 4.42Å; R804-L808 VanDerWaalsContact O-CG 3.31Å; R804-L808 WeakPolarHBondContact O-CG 3.38Å; R804-L808 PolarHBondContact O-N 3.1Å; R804-L808 VanDerWaalsContact O-N 3.16Å; W806-L808 PolarHBondContact O-N 3.15Å; L808-N812 WeakPolarHBondContact O-CA 3.49Å; L808-N812 PolarHBondContact O-N 3.48Å; L808-N812 VanDerWaalsContact O-N 3.17Å
809	E	86	Confident	83.9	Confident	142 Å²	142	58.7 Å²	58.7	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-71.7	-41.6	172.6	-174.1	173	167.3	0	0	111.7	P196 S805 W806	P196-E809 HydrophobicContact CB-CB 4.5Å; P196-E809 HydrophobicContact CB-CG 4.19Å; P196-E809 HydrophobicContact CG-CB 4.04Å; P196-E809 HydrophobicContact CG-CG 4.07Å; S805-E809 VanDerWaalsContact O-CB 3.27Å; S805-E809 WeakPolarHBondContact O-CB 3.05Å; S805-E809 PolarHBondContact O-N 3.04Å; W806-E809 PolarHBondContact O-N 3.29Å
810	W	81.7	Confident	83.3	Confident	26 Å²	26	57.6 Å²	57.6	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-65.3	174.6	-175.9	-45.7	0	0	0	110.4	L194 Y195 P196 W806 E807 N812 L1097 E1111	L194-W810 VanDerWaalsContact O-CE2 3.31Å; L194-W810 PolarHBondContact O-NE1 2.81Å; Y195-W810 VanDerWaalsContact CB-CE3 3.41Å; Y195-W810 HydrophobicContact CG-CZ3 4.26Å; P196-W810 HydrophobicContact CG-CB 4.05Å; W806-W810 AromaticContact CH2-CE3 3.33Å; W806-W810 HydrophobicContact CH2-CE3 3.33Å; W806-W810 AromaticContact CH2-CZ3 3.36Å; W806-W810 HydrophobicContact CH2-CZ3 3.36Å; W806-W810 AromaticContact CZ2-CE3 3.66Å; W806-W810 HydrophobicContact CZ2-CE3 3.66Å; W806-W810 AromaticContact CZ2-CZ3 3.75Å; W806-W810 HydrophobicContact CZ2-CZ3 3.75Å; W806-W810 AromaticContact CZ3-CE3 3.81Å; W806-W810 HydrophobicContact CZ3-CE3 3.81Å; W806-W810 HydrophobicContact CZ3-CZ3 4.2Å; W806-W810 PolarHBondContact O-N 2.61Å; E807-W810 PolarHBondContact O-N 2.58Å; W810-N812 PolarHBondContact O-N 3.07Å; W810-L1097 HydrophobicContact CH2-CD1 4.26Å; W810-L1097 HydrophobicContact CH2-CD2 3.66Å; W810-L1097 HydrophobicContact CZ3-CD1 3.88Å; W810-L1097 HydrophobicContact CZ3-CD2 4.13Å; W810-E1111 WeakPolarHBondContact CH2-OE2 3.26Å; W810-E1111 WeakPolarHBondContact CZ3-OE2 3.3Å
811	H	75.4	Confident	82.9	Confident	29 Å²	29	59.9 Å²	59.9	13%	0.134	30%	0.304	C	S	.	.	H	α-helix	trans	-73.4	-16.2	-168.4	-58.3	-52.9	0	0	0	112.6	E807 Q813	E807-H811 PolarHBondContact O-CD2 3.11Å; E807-H811 VanDerWaalsContact O-CD2 3.3Å; E807-H811 PolarHBondContact O-N 2.96Å; E807-H811 VanDerWaalsContact O-N 3.07Å; H811-Q813 HydrophobicContact CB-CB 4.18Å; H811-Q813 HydrophobicContact CB-CG 4.3Å; H811-Q813 WeakPolarHBondContact O-CG 3.41Å; H811-Q813 PolarHBondContact O-N 2.93Å; H811-Q813 VanDerWaalsContact O-N 3.13Å
812	N	68.2	Low	82.6	Confident	150 Å²	150	62 Å²	62	80%	0.802	31%	0.314	S	S	*	.			trans	51.8	36.2	178.8	-169.7	24.1	0	0	0	112.3	L808 W810	L808-N812 WeakPolarHBondContact O-CA 3.49Å; L808-N812 PolarHBondContact O-N 3.48Å; L808-N812 VanDerWaalsContact O-N 3.17Å; W810-N812 PolarHBondContact O-N 3.07Å
813	Q	64.8	Low	82.6	Confident	70 Å²	70	59 Å²	59	33%	0.327	29%	0.293	S	S	.	.			trans	-114.9	166.3	-171.6	-87.7	164.8	5.8	0	0	110.3	H811 D817 S818	H811-Q813 HydrophobicContact CB-CB 4.18Å; H811-Q813 HydrophobicContact CB-CG 4.3Å; H811-Q813 WeakPolarHBondContact O-CG 3.41Å; H811-Q813 PolarHBondContact O-N 2.93Å; H811-Q813 VanDerWaalsContact O-N 3.13Å; Q813-D817 HydrophobicContact CB-CB 4.09Å; Q813-D817 HydrophobicContact CG-CB 4.08Å; Q813-D817 PolarHBondContact OE1-O 2.64Å; Q813-D817 VanDerWaalsContact OE1-O 3.07Å; Q813-S818 VanDerWaalsContact OE1-CA 3.3Å
814	S	66.4	Low	82.5	Confident	62 Å²	62	56.1 Å²	56.1	43%	0.434	28%	0.278	S	S	.	.			trans	-75.7	161.2	166.6	89.6	0	0	0	0	110.3	K816 D817 S818	S814-K816 PolarHBondContact O-N 2.98Å; S814-K816 PolarHBondContact OG-N 3.14Å; S814-D817 WeakPolarHBondContact CB-OD2 3.08Å; S814-D817 PolarHBondContact N-OD2 3.34Å; S814-D817 PolarHBondContact O-N 3.4Å; S814-D817 PolarHBondContact OG-OD2 2.9Å; S814-S818 PolarHBondContact O-N 3.38Å
815	E	72.7	Confident	82.4	Confident	79 Å²	79	54.1 Å²	54.1	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-27.5	177.1	-165.8	-162.1	167.1	0	0	112.8	R804 Y821 K827	R804-E815 IonicContact NH1-OE1 2.71Å; R804-E815 PolarHBondContact NH1-OE1 2.75Å; E815-Y821 WeakPolarHBondContact O-CD2 3.45Å; E815-K827 IonicContact OE1-NZ 3.76Å; E815-K827 PolarHBondContact OE1-NZ 3.23Å; E815-K827 IonicContact OE2-NZ 3.5Å
816	K	71.6	Confident	82.2	Confident	142 Å²	142	56 Å²	56	62%	0.617	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.3	-178.4	-68.8	-165.7	164.3	-139	0	115.5	S814 Y821	S814-K816 PolarHBondContact O-N 2.98Å; S814-K816 PolarHBondContact OG-N 3.14Å; K816-Y821 HydrophobicContact CG-CD2 4.43Å; K816-Y821 HydrophobicContact CG-CE2 3.94Å
817	D	74.2	Confident	81.7	Confident	103 Å²	103	59.2 Å²	59.2	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-14.6	-177.7	-40	-65.3	0	0	0	111.4	Q813 S814	Q813-D817 HydrophobicContact CB-CB 4.09Å; Q813-D817 HydrophobicContact CG-CB 4.08Å; Q813-D817 PolarHBondContact OE1-O 2.64Å; Q813-D817 VanDerWaalsContact OE1-O 3.07Å; S814-D817 WeakPolarHBondContact CB-OD2 3.08Å; S814-D817 PolarHBondContact N-OD2 3.34Å; S814-D817 PolarHBondContact O-N 3.4Å; S814-D817 PolarHBondContact OG-OD2 2.9Å
818	S	83.8	Confident	81.1	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.035	33%	0.325	C	S	.	.	S	Bend	trans	-66.5	138.3	173.9	178.9	0	0	0	0	112.3	E807 Q813 S814 G820 Y821	E807-S818 WeakPolarHBondContact OE1-CB 3.13Å; E807-S818 PolarHBondContact OE1-OG 2.84Å; Q813-S818 VanDerWaalsContact OE1-CA 3.3Å; S814-S818 PolarHBondContact O-N 3.38Å; S818-G820 PolarHBondContact O-N 3.47Å; S818-G820 PolarHBondContact OG-N 2.96Å; S818-G820 VanDerWaalsContact OG-N 3.15Å; S818-Y821 VanDerWaalsContact O-CB 3.23Å; S818-Y821 WeakPolarHBondContact O-CB 3.44Å; S818-Y821 PolarHBondContact O-N 3.39Å
819	Y	85.4	Confident	80.6	Confident	59 Å²	59	63.5 Å²	63.5	23%	0.231	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.6	169.3	-56.4	-71.9	0	0	0	112.1	D244 R247 Y821 H1107	D244-Y819 PolarHBondContact OD2-OH 3.04Å; R247-Y819 VanDerWaalsContact CD-OH 3.3Å; R247-Y819 WeakPolarHBondContact CD-OH 3.47Å; Y819-Y821 PolarHBondContact O-N 2.77Å; Y819-Y821 VanDerWaalsContact O-N 3.1Å; Y819-H1107 WeakPolarHBondContact CB-O 3.34Å; Y819-H1107 HydrophobicContact CD1-CB 3.97Å; Y819-H1107 HydrophobicContact CD2-CB 4.15Å; Y819-H1107 AromaticContact CD2-CD2 3.89Å; Y819-H1107 HydrophobicContact CE1-CB 4.45Å; Y819-H1107 AromaticContact CE1-CE1 3.95Å; Y819-H1107 AromaticContact CE1-CG 3.98Å; Y819-H1107 AromaticContact CE1-ND1 3.69Å; Y819-H1107 AromaticContact CE2-CD2 3.63Å; Y819-H1107 AromaticContact CE2-CG 3.97Å; Y819-H1107 AromaticContact CE2-NE2 3.75Å; Y819-H1107 HydrophobicContact CG-CB 3.81Å; Y819-H1107 AromaticContact CZ-CD2 3.9Å; Y819-H1107 AromaticContact CZ-CE1 3.63Å; Y819-H1107 AromaticContact CZ-CG 3.96Å; Y819-H1107 AromaticContact CZ-ND1 3.8Å; Y819-H1107 AromaticContact CZ-NE2 3.68Å
820	G	86.4	Confident	80.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.9	175.4	0	0	0	0	0	115.2	S818 I822 L824 Y1026	S818-G820 PolarHBondContact O-N 3.47Å; S818-G820 PolarHBondContact OG-N 2.96Å; S818-G820 VanDerWaalsContact OG-N 3.15Å; G820-I822 PolarHBondContact O-N 3.08Å; G820-L824 VanDerWaalsContact O-CB 3.23Å; G820-L824 WeakPolarHBondContact O-CB 3.45Å; G820-L824 WeakPolarHBondContact O-CG 3.32Å; G820-L824 PolarHBondContact O-N 3.19Å; G820-Y1026 WeakPolarHBondContact CA-OH 3.21Å; G820-Y1026 PolarHBondContact N-OH 2.98Å
821	Y	88.6	Confident	81.2	Confident	48 Å²	48	56.5 Å²	56.5	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-43.8	179.3	-175.3	-108.1	0	0	0	112.6	E815 K816 S818 Y819 N825 D828	E815-Y821 WeakPolarHBondContact O-CD2 3.45Å; K816-Y821 HydrophobicContact CG-CD2 4.43Å; K816-Y821 HydrophobicContact CG-CE2 3.94Å; S818-Y821 VanDerWaalsContact O-CB 3.23Å; S818-Y821 WeakPolarHBondContact O-CB 3.44Å; S818-Y821 PolarHBondContact O-N 3.39Å; Y819-Y821 PolarHBondContact O-N 2.77Å; Y819-Y821 VanDerWaalsContact O-N 3.1Å; Y821-N825 HydrophobicContact CD2-CB 3.87Å; Y821-N825 HydrophobicContact CE2-CB 3.85Å; Y821-N825 HydrophobicContact CG-CB 4.39Å; Y821-N825 VanDerWaalsContact CZ-ND2 3.32Å; Y821-N825 WeakPolarHBondContact O-CB 3.42Å; Y821-N825 PolarHBondContact O-N 2.97Å; Y821-N825 VanDerWaalsContact O-N 3.16Å; Y821-N825 PolarHBondContact OH-ND2 2.97Å; Y821-D828 PolarHBondContact OH-OD2 3.35Å
822	I	90.9	Very high	82.1	Confident	48 Å²	48	55.2 Å²	55.2	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-38.9	-176.6	-169.2	169.1	0	0	0	112.2	G820 T1011 E1014 S1015	G820-I822 PolarHBondContact O-N 3.08Å; I822-T1011 HydrophobicContact CD1-CG2 3.96Å; I822-T1011 HydrophobicContact CG1-CG2 4.31Å; I822-E1014 HydrophobicContact CD1-CB 3.96Å; I822-E1014 HydrophobicContact CD1-CG 3.9Å; I822-S1015 WeakPolarHBondContact O-CA 3.49Å; I822-S1015 WeakPolarHBondContact O-CB 3.31Å
823	F	93.3	Very high	83.4	Confident	14 Å²	14	49 Å²	49	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-85.7	-28.2	-176.9	-47.4	-72.5	0	0	0	114.1	G832 E1014 K1017 M1018 H1019 A1108	F823-G832 CarbonylContact O-C 3.55Å; F823-E1014 WeakPolarHBondContact CD1-O 3.31Å; F823-E1014 HydrophobicContact CE1-CG 4.25Å; F823-E1014 WeakPolarHBondContact CE1-O 3.23Å; F823-K1017 WeakPolarHBondContact CD1-O 3.17Å; F823-M1018 HydrophobicContact CB-CE 4.24Å; F823-M1018 HydrophobicContact CB-SD 4.37Å; F823-H1019 AromaticContact CE1-ND1 3.89Å; F823-A1108 HydrophobicContact CD2-CB 4.13Å; F823-A1108 HydrophobicContact CE1-CB 4.41Å; F823-A1108 HydrophobicContact CE2-CB 3.41Å; F823-A1108 VanDerWaalsContact CE2-CB 3.41Å; F823-A1108 HydrophobicContact CZ-CB 3.58Å
824	L	92.9	Very high	84.9	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-111.9	-13.7	-168.5	-53.1	-176.7	0	0	0	114.8	C801 R804 E807 G820 M1018 L1025 Y1026	C801-L824 HydrophobicContact CB-CD1 3.87Å; C801-L824 HydrophobicContact CB-CD2 3.67Å; C801-L824 HydrophobicContact CB-CG 4.44Å; R804-L824 HydrophobicContact CG-CD1 4.08Å; E807-L824 WeakPolarHBondContact OE2-CD1 3.32Å; G820-L824 VanDerWaalsContact O-CB 3.23Å; G820-L824 WeakPolarHBondContact O-CB 3.45Å; G820-L824 WeakPolarHBondContact O-CG 3.32Å; G820-L824 PolarHBondContact O-N 3.19Å; L824-M1018 HydrophobicContact CD2-CE 4.11Å; L824-L1025 HydrophobicContact CD2-CD2 4.18Å; L824-Y1026 HydrophobicContact CD1-CD2 3.81Å; L824-Y1026 HydrophobicContact CD1-CE2 3.72Å; L824-Y1026 HydrophobicContact CG-CE2 4.37Å
825	N	88.4	Confident	86.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	23%	0.232	C	C	.	.			trans	-77.6	140.3	175.6	-179.1	48.6	0	0	0	111.5	Y821 K827 L830 G832	Y821-N825 HydrophobicContact CD2-CB 3.87Å; Y821-N825 HydrophobicContact CE2-CB 3.85Å; Y821-N825 HydrophobicContact CG-CB 4.39Å; Y821-N825 VanDerWaalsContact CZ-ND2 3.32Å; Y821-N825 WeakPolarHBondContact O-CB 3.42Å; Y821-N825 PolarHBondContact O-N 2.97Å; Y821-N825 VanDerWaalsContact O-N 3.16Å; Y821-N825 PolarHBondContact OH-ND2 2.97Å; N825-K827 WeakPolarHBondContact OD1-CD 3.5Å; N825-K827 VanDerWaalsContact OD1-CG 3.22Å; N825-K827 WeakPolarHBondContact OD1-CG 2.97Å; N825-K827 PolarHBondContact OD1-NZ 3.04Å; N825-L830 VanDerWaalsContact O-CB 3.3Å; N825-L830 WeakPolarHBondContact O-CB 3.49Å; N825-G832 VanDerWaalsContact O-CA 3.24Å; N825-G832 WeakPolarHBondContact O-CA 3.46Å; N825-G832 PolarHBondContact O-N 3.28Å; N825-G832 VanDerWaalsContact O-N 3.16Å
826	N	85.9	Confident	87.6	Confident	105 Å²	105	46.1 Å²	46.1	56%	0.561	22%	0.223	S	C	*	.			trans	-114.1	33.3	178.1	68.8	-17.4	0	0	0	112.6	L830	N826-L830 CarbonylContact C-O 3.6Å; N826-L830 WeakPolarHBondContact CA-O 3.22Å
827	K	82.1	Confident	88.9	Confident	88 Å²	88	39.4 Å²	39.4	38%	0.383	19%	0.193	S	C	.	.	S	Bend	trans	-118.1	170	-179	-50.1	173.4	-158.2	91.3	0	108.4	E815 N825 G829 L830	E815-K827 IonicContact OE1-NZ 3.76Å; E815-K827 PolarHBondContact OE1-NZ 3.23Å; E815-K827 IonicContact OE2-NZ 3.5Å; N825-K827 WeakPolarHBondContact OD1-CD 3.5Å; N825-K827 VanDerWaalsContact OD1-CG 3.22Å; N825-K827 WeakPolarHBondContact OD1-CG 2.97Å; N825-K827 PolarHBondContact OD1-NZ 3.04Å; K827-G829 PolarHBondContact O-N 2.65Å; K827-L830 PolarHBondContact O-N 2.86Å; K827-L830 VanDerWaalsContact O-N 3.07Å
828	D	76.7	Confident	90	Very high	138 Å²	138	34.5 Å²	34.5	74%	0.738	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	15.5	168.7	-46.9	-50.9	0	0	0	115.6	Y821	Y821-D828 PolarHBondContact OH-OD2 3.35Å
829	G	77.9	Confident	90.6	Very high	15 Å²	15	34.2 Å²	34.2	16%	0.155	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.5	-14	178.7	0	0	0	0	0	114.7	K827	K827-G829 PolarHBondContact O-N 2.65Å
830	L	89.3	Confident	91.2	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.089	15%	0.154	C	C	.	.			trans	-82.9	156.1	-175	-46.6	-175.9	0	0	0	112.2	N825 N826 K827 T1011	N825-L830 VanDerWaalsContact O-CB 3.3Å; N825-L830 WeakPolarHBondContact O-CB 3.49Å; N826-L830 CarbonylContact C-O 3.6Å; N826-L830 WeakPolarHBondContact CA-O 3.22Å; K827-L830 PolarHBondContact O-N 2.86Å; K827-L830 VanDerWaalsContact O-N 3.07Å; L830-T1011 HydrophobicContact CD2-CG2 4.39Å
831	L	91	Very high	91.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.161	C	C	.	.			trans	-90.5	-29.2	-177	-55.9	-174.5	0	0	0	113.7	Y835 N993 V994 F1012	L831-Y835 HydrophobicContact CB-CE1 4.2Å; L831-Y835 HydrophobicContact CD1-CE1 3.88Å; L831-N993 HydrophobicContact CD1-CB 4.26Å; L831-V994 HydrophobicContact CD1-CG2 4.02Å; L831-V994 HydrophobicContact CD2-CG2 4.24Å; L831-F1012 HydrophobicContact CD1-CE2 4.3Å; L831-F1012 HydrophobicContact CD1-CZ 4.29Å; L831-F1012 HydrophobicContact CD2-CE2 4.31Å; L831-F1012 HydrophobicContact CG-CE2 4.05Å
832	G	93.4	Very high	92	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	16%	0.158	C	C	.	.			trans	72.8	-160.7	-177.1	0	0	0	0	0	113.5	F823 N825 R834 Y835	F823-G832 CarbonylContact O-C 3.55Å; N825-G832 VanDerWaalsContact O-CA 3.24Å; N825-G832 WeakPolarHBondContact O-CA 3.46Å; N825-G832 PolarHBondContact O-N 3.28Å; N825-G832 VanDerWaalsContact O-N 3.16Å; G832-R834 PolarHBondContact O-N 2.96Å; G832-Y835 WeakPolarHBondContact O-CE2 3.47Å; G832-Y835 PolarHBondContact O-OH 3.12Å
833	S	95.6	Very high	92.3	Very high	20 Å²	20	30.7 Å²	30.7	14%	0.14	15%	0.15	C	C	.	.	S	Bend	trans	-70.4	-0.5	-164.4	74.8	0	0	0	0	117.2	D799 Y800	D799-S833 CarbonylContact C-O 3.51Å; D799-S833 WeakPolarHBondContact CA-O 3.47Å; D799-S833 WeakPolarHBondContact OD1-CB 3.4Å; D799-S833 PolarHBondContact OD1-OG 2.94Å; Y800-S833 PolarHBondContact N-O 3.34Å
834	R	96.9	Very high	92.2	Very high	110 Å²	110	33.6 Å²	33.6	42%	0.415	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	-166.5	-67.3	-170.4	-178.5	-178	0.9	114.3	W798 D799 G832 H997	W798-R834 WeakPolarHBondContact O-CA 3.36Å; D799-R834 HydrophobicContact CB-CG 3.96Å; D799-R834 IonicContact OD2-CZ 3.62Å; D799-R834 VanDerWaalsContact OD2-CZ 3.22Å; D799-R834 IonicContact OD2-NE 2.73Å; D799-R834 PolarHBondContact OD2-NE 2.98Å; D799-R834 IonicContact OD2-NH2 2.71Å; D799-R834 PolarHBondContact OD2-NH2 2.97Å; G832-R834 PolarHBondContact O-N 2.96Å; R834-H997 PolarHBondContact O-CD2 3.37Å; R834-H997 PolarHBondContact O-NE2 2.84Å
835	Y	97.8	Very high	92.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.6	-177.2	-60.4	-97	0	0	0	110.5	W798 Y800 L831 G832 E984 N993 S1015 N1016 M1018	W798-Y835 PolarHBondContact N-O 3.47Å; W798-Y835 PolarHBondContact O-N 2.97Å; Y800-Y835 AromaticContact CD2-CD2 3.64Å; Y800-Y835 HydrophobicContact CD2-CD2 3.64Å; Y800-Y835 AromaticContact CD2-CE2 3.99Å; Y800-Y835 HydrophobicContact CD2-CE2 3.99Å; Y800-Y835 AromaticContact CE2-CD2 3.43Å; Y800-Y835 HydrophobicContact CE2-CD2 3.43Å; Y800-Y835 VanDerWaalsContact CE2-CD2 3.43Å; Y800-Y835 AromaticContact CE2-CE2 3.98Å; Y800-Y835 HydrophobicContact CE2-CE2 3.98Å; Y800-Y835 HydrophobicContact CE2-CG 4.16Å; L831-Y835 HydrophobicContact CB-CE1 4.2Å; L831-Y835 HydrophobicContact CD1-CE1 3.88Å; G832-Y835 WeakPolarHBondContact O-CE2 3.47Å; G832-Y835 PolarHBondContact O-OH 3.12Å; Y835-E984 WeakPolarHBondContact CB-OE1 3.31Å; Y835-E984 HydrophobicContact CD1-CB 3.77Å; Y835-E984 HydrophobicContact CD1-CG 3.54Å; Y835-E984 HydrophobicContact CD2-CG 4.26Å; Y835-E984 HydrophobicContact CE1-CB 3.65Å; Y835-E984 HydrophobicContact CE1-CG 3.66Å; Y835-E984 HydrophobicContact CE2-CG 4.35Å; Y835-E984 HydrophobicContact CG-CG 3.86Å; Y835-N993 HydrophobicContact CD1-CB 4.22Å; Y835-S1015 PolarHBondContact OH-O 2.65Å; Y835-N1016 PolarHBondContact OH-OD1 2.85Å; Y835-N1016 VanDerWaalsContact OH-OD1 3.07Å; Y835-M1018 HydrophobicContact CE2-CE 4.36Å; Y835-M1018 HydrophobicContact CE2-CG 4.09Å; Y835-M1018 HydrophobicContact CE2-SD 3.99Å
836	K	98	Very high	92.4	Very high	41 Å²	41	37.5 Å²	37.5	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128	162	-175.3	-172.8	173.8	-168	0	109	E795 V796 Y989 E992 N993	E795-K836 IonicContact OE1-NZ 2.69Å; E795-K836 WeakPolarHBondContact OE2-CE 3.4Å; E795-K836 IonicContact OE2-NZ 2.66Å; E795-K836 PolarHBondContact OE2-NZ 3.36Å; V796-K836 WeakPolarHBondContact O-CA 3.41Å; K836-Y989 HydrophobicContact CB-CG 4.5Å; K836-Y989 HydrophobicContact CD-CD1 3.63Å; K836-Y989 HydrophobicContact CD-CE1 4.12Å; K836-Y989 HydrophobicContact CD-CG 4.25Å; K836-Y989 HydrophobicContact CG-CD1 4.06Å; K836-Y989 HydrophobicContact CG-CG 4.25Å; K836-Y989 VanDerWaalsContact O-CB 3.29Å; K836-Y989 WeakPolarHBondContact O-CB 3.15Å; K836-E992 HydrophobicContact CD-CB 4.41Å; K836-E992 IonicContact NZ-OE1 3.92Å; K836-E992 PolarHBondContact NZ-OE1 2.89Å; K836-E992 IonicContact NZ-OE2 2.71Å; K836-E992 PolarHBondContact NZ-OE2 3.3Å; K836-N993 WeakPolarHBondContact CB-OD1 3.26Å; K836-N993 PolarHBondContact N-OD1 3.02Å; K836-N993 PolarHBondContact O-ND2 3.15Å
837	K	98.1	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.2	-177.5	-62	-161.1	76.9	67.2	0	111.6	E795 V796 W798 Y800 I863 Y947 S948 E984	E795-K837 CarbonylContact C-O 3.6Å; E795-K837 WeakPolarHBondContact CA-O 3.49Å; V796-K837 PolarHBondContact N-O 3.28Å; V796-K837 PolarHBondContact O-N 2.98Å; W798-K837 HydrophobicContact CB-CB 4.15Å; W798-K837 HydrophobicContact CB-CD 3.69Å; W798-K837 HydrophobicContact CB-CG 3.82Å; W798-K837 HydrophobicContact CG-CD 3.86Å; Y800-K837 HydrophobicContact CE2-CD 4.34Å; Y800-K837 WeakPolarHBondContact OH-CD 3.5Å; Y800-K837 VanDerWaalsContact OH-CE 3.28Å; Y800-K837 WeakPolarHBondContact OH-CE 3.44Å; Y800-K837 PolarHBondContact OH-NZ 3.01Å; Y800-K837 VanDerWaalsContact OH-NZ 3.15Å; K837-I863 HydrophobicContact CD-CD1 3.8Å; K837-Y947 PolarHBondContact NZ-O 3.07Å; K837-S948 CarbonylContact C-O 3.52Å; K837-S948 WeakPolarHBondContact CA-O 3.31Å; K837-S948 VanDerWaalsContact CB-O 3.31Å; K837-S948 WeakPolarHBondContact CB-O 3.31Å; K837-S948 WeakPolarHBondContact CE-O 3.28Å; K837-E984 WeakPolarHBondContact CD-OE1 3.14Å; K837-E984 WeakPolarHBondContact CE-OE1 3.34Å; K837-E984 IonicContact NZ-OE1 3.46Å; K837-E984 PolarHBondContact NZ-OE1 2.95Å; K837-E984 IonicContact NZ-OE2 2.77Å; K837-E984 PolarHBondContact NZ-OE2 2.81Å
838	A	97.7	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.6	171	0	0	0	0	0	109.9	E794 Y888 S948 G949 L950 Y989	E794-A838 CarbonylContact O-C 3.58Å; E794-A838 WeakPolarHBondContact O-CA 3.38Å; A838-Y888 HydrophobicContact CB-CE2 3.73Å; A838-S948 PolarHBondContact N-O 3.08Å; A838-G949 CarbonylContact O-C 3.59Å; A838-G949 WeakPolarHBondContact O-CA 3.39Å; A838-L950 HydrophobicContact CB-CD1 4.29Å; A838-L950 HydrophobicContact CB-CD2 4.09Å; A838-L950 HydrophobicContact CB-CG 4.05Å; A838-L950 WeakPolarHBondContact O-CD2 3.1Å; A838-L950 PolarHBondContact O-N 3.46Å; A838-Y989 HydrophobicContact CB-CE2 3.8Å
839	V	97.3	Very high	93.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.4	-170.3	-64.2	0	0	0	0	112.5	A793 E794 V796 R841 I863	A793-V839 WeakPolarHBondContact CA-O 3.12Å; E794-V839 HydrophobicContact CG-CG2 3.8Å; E794-V839 PolarHBondContact N-O 3.38Å; E794-V839 PolarHBondContact O-N 2.91Å; V796-V839 HydrophobicContact CG1-CG2 3.94Å; V796-V839 HydrophobicContact CG2-CG1 4.07Å; V796-V839 HydrophobicContact CG2-CG2 3.71Å; V839-R841 VanDerWaalsContact CG2-CZ 3.44Å; V839-I863 HydrophobicContact CG1-CD1 4.43Å; V839-I863 HydrophobicContact CG1-CG1 3.76Å
840	F	97.8	Very high	94.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131	174.3	-67.6	-56.2	0	0	0	111.7	I791 M792 A793 R854 F880 V890 Y936 L950	I791-F840 HydrophobicContact CG2-CB 4.02Å; I791-F840 HydrophobicContact CG2-CD1 3.83Å; I791-F840 HydrophobicContact CG2-CG 4.24Å; M792-F840 CarbonylContact O-C 3.56Å; M792-F840 WeakPolarHBondContact O-CA 3.28Å; A793-F840 HydrophobicContact CB-CD1 4.41Å; A793-F840 HydrophobicContact CB-CE1 4.44Å; F840-R854 PolarHBondContact O-NH2 3.45Å; F840-F880 HydrophobicContact CD1-CE2 4.08Å; F840-F880 HydrophobicContact CE1-CD2 4.49Å; F840-F880 AromaticContact CE1-CE2 3.72Å; F840-F880 HydrophobicContact CE1-CE2 3.72Å; F840-F880 HydrophobicContact CE1-CZ 4.24Å; F840-V890 HydrophobicContact CE1-CG2 3.85Å; F840-V890 HydrophobicContact CZ-CG2 4.18Å; F840-Y936 HydrophobicContact CB-CE2 4.48Å; F840-Y936 HydrophobicContact CD2-CD2 4.22Å; F840-Y936 AromaticContact CD2-CE2 3.54Å; F840-Y936 HydrophobicContact CD2-CE2 3.54Å; F840-Y936 HydrophobicContact CE2-CD2 4Å; F840-Y936 AromaticContact CE2-CE2 3.77Å; F840-Y936 HydrophobicContact CE2-CE2 3.77Å; F840-Y936 AromaticContact CG-CE2 4Å; F840-Y936 HydrophobicContact CG-CE2 4Å; F840-Y936 HydrophobicContact CZ-CE2 4.41Å; F840-L950 HydrophobicContact CD1-CD2 3.97Å; F840-L950 HydrophobicContact CD2-CB 4.4Å; F840-L950 HydrophobicContact CD2-CD2 4.26Å; F840-L950 HydrophobicContact CE1-CD2 3.91Å; F840-L950 VanDerWaalsContact CE2-C 3.45Å; F840-L950 HydrophobicContact CE2-CB 3.79Å; F840-L950 HydrophobicContact CE2-CD2 4.22Å; F840-L950 HydrophobicContact CG-CD2 4.14Å; F840-L950 HydrophobicContact CZ-CB 3.91Å; F840-L950 HydrophobicContact CZ-CD2 4.05Å; F840-L950 HydrophobicContact CZ-CG 4.42Å
841	R	96.3	Very high	94.9	Very high	35 Å²	35	43.3 Å²	43.3	13%	0.132	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.9	172.9	-59.7	-59.2	171.8	-123.4	13.3	112.4	I791 M792 E794 V839 Y843 I863 L864	I791-R841 CarbonylContact C-O 3.54Å; I791-R841 VanDerWaalsContact CA-O 3.28Å; I791-R841 WeakPolarHBondContact CA-O 3.4Å; M792-R841 PolarHBondContact N-O 3.05Å; M792-R841 PolarHBondContact O-N 3.02Å; E794-R841 VanDerWaalsContact CD-CG 3.45Å; E794-R841 HydrophobicContact CG-CG 3.86Å; E794-R841 WeakPolarHBondContact OE1-CG 3.39Å; E794-R841 IonicContact OE1-NE 2.79Å; V839-R841 VanDerWaalsContact CG2-CZ 3.44Å; R841-Y843 HydrophobicContact CB-CE2 4.16Å; R841-I863 PolarHBondContact NH1-O 3.13Å; R841-L864 PolarHBondContact NH1-O 2.86Å
842	E	95.3	Very high	94.8	Very high	27 Å²	27	48 Å²	48	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.2	179	-166.5	171.9	-167.6	0	0	112	Y789 Y790 P851 R852 P866	Y789-E842 WeakPolarHBondContact CD1-OE1 3.32Å; Y790-E842 CarbonylContact O-C 3.47Å; Y790-E842 WeakPolarHBondContact O-CA 3.26Å; E842-P851 WeakPolarHBondContact O-CA 3.33Å; E842-R852 HydrophobicContact CB-CB 4.09Å; E842-R852 HydrophobicContact CG-CB 4.27Å; E842-R852 PolarHBondContact O-N 3.38Å; E842-R852 WeakPolarHBondContact OE2-CD 3.42Å; E842-R852 IonicContact OE2-CZ 3.69Å; E842-R852 IonicContact OE2-NE 3.54Å; E842-R852 IonicContact OE2-NH1 3.44Å; E842-R852 PolarHBondContact OE2-NH1 2.86Å; E842-P866 HydrophobicContact CB-CB 3.85Å; E842-P866 HydrophobicContact CB-CG 3.9Å; E842-P866 HydrophobicContact CG-CB 4.48Å
843	Y	95.6	Very high	94.5	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.6	177.7	-72.3	-101.4	0	0	0	110.8	Y790 M792 E794 R841 D845 F848 I850 P851	Y790-Y843 PolarHBondContact O-N 2.85Å; M792-Y843 HydrophobicContact CB-CD2 4.01Å; M792-Y843 HydrophobicContact CB-CE2 3.46Å; M792-Y843 VanDerWaalsContact CB-CE2 3.46Å; M792-Y843 HydrophobicContact CE-CD2 4.42Å; M792-Y843 HydrophobicContact CE-CE1 3.93Å; M792-Y843 HydrophobicContact CE-CE2 3.77Å; M792-Y843 VanDerWaalsContact CE-CZ 3.48Å; M792-Y843 HydrophobicContact CG-CE2 4.47Å; M792-Y843 HydrophobicContact SD-CE2 4.35Å; E794-Y843 PolarHBondContact OE2-OH 3.16Å; R841-Y843 HydrophobicContact CB-CE2 4.16Å; Y843-D845 VanDerWaalsContact C-N 3.26Å; Y843-D845 PolarHBondContact O-N 3.13Å; Y843-F848 VanDerWaalsContact CD1-C 3.49Å; Y843-F848 HydrophobicContact CD1-CB 4.29Å; Y843-F848 AromaticContact CD2-CD1 3.92Å; Y843-F848 HydrophobicContact CD2-CD1 3.92Å; Y843-F848 HydrophobicContact CG-CB 4.47Å; Y843-F848 AromaticContact CG-CD1 3.93Å; Y843-F848 HydrophobicContact CG-CD1 3.93Å; Y843-I850 WeakPolarHBondContact CA-O 3.39Å; Y843-I850 WeakPolarHBondContact CD1-O 3.32Å; Y843-P851 HydrophobicContact CD1-CB 4.27Å; Y843-P851 HydrophobicContact CE1-CB 3.9Å
844	T	92.9	Very high	93.9	Very high	74 Å²	74	54.3 Å²	54.3	45%	0.454	27%	0.27	S	S	.	.	S	Bend	trans	-66.1	-27.9	-179	55	0	0	0	0	113.9	I850	T844-I850 HydrophobicContact CG2-CB 4.16Å; T844-I850 HydrophobicContact CG2-CG2 3.88Å; T844-I850 PolarHBondContact N-O 3.1Å
845	D	92.8	Very high	92.9	Very high	52 Å²	52	53.7 Å²	53.7	28%	0.278	28%	0.279	S	S	.	.	S	Bend	trans	-163.5	168	-173.5	59.3	74.7	0	0	0	111.9	Y843 T847 F848	Y843-D845 VanDerWaalsContact C-N 3.26Å; Y843-D845 PolarHBondContact O-N 3.13Å; D845-T847 PolarHBondContact O-N 3.27Å; D845-T847 WeakPolarHBondContact OD1-CA 3.39Å; D845-T847 WeakPolarHBondContact OD1-CB 3.23Å; D845-T847 VanDerWaalsContact OD1-CG2 3.27Å; D845-T847 WeakPolarHBondContact OD1-CG2 3.48Å; D845-T847 PolarHBondContact OD1-N 3.13Å; D845-T847 PolarHBondContact OD1-OG1 3.35Å; D845-F848 PolarHBondContact O-N 3.06Å
846	G	91	Very high	92	Very high	41 Å²	41	55.3 Å²	55.3	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	8	-179.5	0	0	0	0	0	115.9	Y790 F848	Y790-G846 VanDerWaalsContact CD1-CA 3.45Å; Y790-G846 VanDerWaalsContact CE1-N 3.28Å; G846-F848 VanDerWaalsContact C-N 3.31Å; G846-F848 WeakPolarHBondContact O-CD2 3.36Å
847	T	91.9	Very high	91	Very high	84 Å²	84	57.5 Å²	57.5	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.6	163.5	74.8	0	0	0	0	112.3	D845 R849	D845-T847 PolarHBondContact O-N 3.27Å; D845-T847 WeakPolarHBondContact OD1-CA 3.39Å; D845-T847 WeakPolarHBondContact OD1-CB 3.23Å; D845-T847 VanDerWaalsContact OD1-CG2 3.27Å; D845-T847 WeakPolarHBondContact OD1-CG2 3.48Å; D845-T847 PolarHBondContact OD1-N 3.13Å; D845-T847 PolarHBondContact OD1-OG1 3.35Å; T847-R849 VanDerWaalsContact C-N 3.27Å; T847-R849 PolarHBondContact O-N 2.98Å
848	F	93.6	Very high	90.5	Very high	19 Å²	19	59.1 Å²	59.1	8%	0.083	32%	0.321	C	S	.	.			trans	54.7	37.7	179.7	-62.5	-83.8	0	0	0	114	I791 M792 Y843 D845 G846 V879 K881 V911	I791-F848 WeakPolarHBondContact O-CE1 3.39Å; M792-F848 HydrophobicContact CB-CD1 4.36Å; M792-F848 HydrophobicContact CE-CB 3.59Å; M792-F848 HydrophobicContact CE-CD1 4.02Å; M792-F848 HydrophobicContact CE-CG 4.14Å; Y843-F848 VanDerWaalsContact CD1-C 3.49Å; Y843-F848 HydrophobicContact CD1-CB 4.29Å; Y843-F848 AromaticContact CD2-CD1 3.92Å; Y843-F848 HydrophobicContact CD2-CD1 3.92Å; Y843-F848 HydrophobicContact CG-CB 4.47Å; Y843-F848 AromaticContact CG-CD1 3.93Å; Y843-F848 HydrophobicContact CG-CD1 3.93Å; D845-F848 PolarHBondContact O-N 3.06Å; G846-F848 VanDerWaalsContact C-N 3.31Å; G846-F848 WeakPolarHBondContact O-CD2 3.36Å; F848-V879 HydrophobicContact CE2-CG1 4.34Å; F848-V879 HydrophobicContact CZ-CG1 4.08Å; F848-K881 HydrophobicContact CB-CD 4.3Å; F848-K881 HydrophobicContact CD1-CB 4.08Å; F848-K881 HydrophobicContact CD2-CB 4.05Å; F848-K881 HydrophobicContact CD2-CD 4.03Å; F848-K881 HydrophobicContact CE1-CB 3.82Å; F848-K881 HydrophobicContact CE2-CB 3.79Å; F848-K881 HydrophobicContact CG-CB 4.19Å; F848-K881 HydrophobicContact CG-CD 4.1Å; F848-K881 HydrophobicContact CZ-CB 3.66Å; F848-V911 HydrophobicContact CE2-CG1 3.95Å; F848-V911 HydrophobicContact CE2-CG2 4.36Å; F848-V911 HydrophobicContact CZ-CG1 4.38Å
849	R	92.2	Very high	90.2	Very high	211 Å²	211	63.7 Å²	63.7	80%	0.796	34%	0.342	S	S	*	.			trans	-102.8	-29.4	-178	-67.9	179.7	179.2	-154.8	-2.4	114.7	T847	T847-R849 VanDerWaalsContact C-N 3.27Å; T847-R849 PolarHBondContact O-N 2.98Å
850	I	94.3	Very high	90.1	Very high	100 Å²	100	63.8 Å²	63.8	51%	0.513	34%	0.343	S	S	.	.	S	Bend	trans	-119.5	105.2	-176.6	-55.3	176	0	0	0	107	Y843 T844	Y843-I850 WeakPolarHBondContact CA-O 3.39Å; Y843-I850 WeakPolarHBondContact CD1-O 3.32Å; T844-I850 HydrophobicContact CG2-CB 4.16Å; T844-I850 HydrophobicContact CG2-CG2 3.88Å; T844-I850 PolarHBondContact N-O 3.1Å
851	P	92.4	Very high	90.1	Very high	72 Å²	72	63.8 Å²	63.8	47%	0.468	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-67.3	146	172.5	29.3	-33.6	0	0	0	109.4	E842 Y843	E842-P851 WeakPolarHBondContact O-CA 3.33Å; Y843-P851 HydrophobicContact CD1-CB 4.27Å; Y843-P851 HydrophobicContact CE1-CB 3.9Å
852	R	90.4	Very high	90	Very high	103 Å²	103	62.8 Å²	62.8	39%	0.389	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-74.3	122.8	173.8	-170.2	-176.7	172.2	-133.2	-18.9	108.4	E842 R854 E858	E842-R852 HydrophobicContact CB-CB 4.09Å; E842-R852 HydrophobicContact CG-CB 4.27Å; E842-R852 PolarHBondContact O-N 3.38Å; E842-R852 WeakPolarHBondContact OE2-CD 3.42Å; E842-R852 IonicContact OE2-CZ 3.69Å; E842-R852 IonicContact OE2-NE 3.54Å; E842-R852 IonicContact OE2-NH1 3.44Å; E842-R852 PolarHBondContact OE2-NH1 2.86Å; R852-R854 PolarHBondContact O-N 3.01Å; R852-E858 IonicContact CZ-OE1 3.31Å; R852-E858 IonicContact CZ-OE2 3.64Å; R852-E858 VanDerWaalsContact CZ-OE2 3.24Å; R852-E858 IonicContact NH1-OE1 3.49Å; R852-E858 PolarHBondContact NH1-OE1 2.86Å; R852-E858 IonicContact NH1-OE2 3.83Å; R852-E858 PolarHBondContact NH1-OE2 2.73Å; R852-E858 VanDerWaalsContact NH1-OE2 3.13Å; R852-E858 VanDerWaalsContact NH2-CD 3.26Å; R852-E858 IonicContact NH2-OE1 3.48Å; R852-E858 PolarHBondContact NH2-OE1 3.32Å; R852-E858 IonicContact NH2-OE2 2.73Å; R852-E858 PolarHBondContact NH2-OE2 2.76Å
853	P	85.8	Confident	90.1	Very high	94 Å²	94	61.5 Å²	61.5	61%	0.61	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-72.2	123.2	-175.7	28.3	-33.9	0	0	0	110.9	T855	P853-T855 HydrophobicContact CB-CG2 4.49Å; P853-T855 PolarHBondContact O-N 2.77Å
854	R	84	Confident	90.1	Very high	59 Å²	59	60.6 Å²	60.6	22%	0.223	33%	0.334	C	S	.	.			trans	-76.4	106	167.4	-67.7	-177.2	-178	-172.9	-4.6	109	F840 R852 E858 G862 L864 G865	F840-R854 PolarHBondContact O-NH2 3.45Å; R852-R854 PolarHBondContact O-N 3.01Å; R854-E858 HydrophobicContact CG-CB 4.45Å; R854-G862 PolarHBondContact NH1-O 3.01Å; R854-L864 PolarHBondContact NH1-O 2.95Å; R854-L864 PolarHBondContact NH2-O 3.4Å; R854-G865 VanDerWaalsContact NH2-C 3.34Å
855	T	75.7	Confident	90.3	Very high	97 Å²	97	57 Å²	57	60%	0.595	31%	0.312	S	S	*	.			trans	-141.2	146.3	175.6	53.8	0	0	0	0	109.8	P853 P857	P853-T855 HydrophobicContact CB-CG2 4.49Å; P853-T855 PolarHBondContact O-N 2.77Å; T855-P857 VanDerWaalsContact O-CD 3.25Å; T855-P857 WeakPolarHBondContact O-CD 3.36Å
856	G	79	Confident	90.4	Very high	33 Å²	33	54.7 Å²	54.7	34%	0.34	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	60.4	-117.8	179.5	0	0	0	0	0	112	E858 E859	G856-E858 PolarHBondContact O-N 2.91Å; G856-E859 VanDerWaalsContact O-CB 3.29Å; G856-E859 WeakPolarHBondContact O-CB 3.2Å; G856-E859 PolarHBondContact O-N 3.25Å
857	P	76.6	Confident	90.6	Very high	87 Å²	87	53.4 Å²	53.4	57%	0.565	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.6	-171.9	26.3	-36.4	0	0	0	115.5	T855 H860	T855-P857 VanDerWaalsContact O-CD 3.25Å; T855-P857 WeakPolarHBondContact O-CD 3.36Å; P857-H860 PolarHBondContact O-CE1 2.87Å; P857-H860 PolarHBondContact O-ND1 3.2Å; P857-H860 PolarHBondContact O-NE2 3.05Å
858	E	87.8	Confident	90.7	Very high	35 Å²	35	49.4 Å²	49.4	16%	0.164	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-105.4	2.4	176.9	-69.6	-178.6	-178.2	0	0	114.1	R852 R854 G856 L861	R852-E858 IonicContact CZ-OE1 3.31Å; R852-E858 IonicContact CZ-OE2 3.64Å; R852-E858 VanDerWaalsContact CZ-OE2 3.24Å; R852-E858 IonicContact NH1-OE1 3.49Å; R852-E858 PolarHBondContact NH1-OE1 2.86Å; R852-E858 IonicContact NH1-OE2 3.83Å; R852-E858 PolarHBondContact NH1-OE2 2.73Å; R852-E858 VanDerWaalsContact NH1-OE2 3.13Å; R852-E858 VanDerWaalsContact NH2-CD 3.26Å; R852-E858 IonicContact NH2-OE1 3.48Å; R852-E858 PolarHBondContact NH2-OE1 3.32Å; R852-E858 IonicContact NH2-OE2 2.73Å; R852-E858 PolarHBondContact NH2-OE2 2.76Å; R854-E858 HydrophobicContact CG-CB 4.45Å; G856-E858 PolarHBondContact O-N 2.91Å; E858-L861 HydrophobicContact CB-CD1 4.11Å; E858-L861 HydrophobicContact CG-CD1 4.29Å; E858-L861 PolarHBondContact O-N 3.1Å
859	E	92.4	Very high	90.8	Very high	95 Å²	95	49.5 Å²	49.5	44%	0.444	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.2	-38.7	178.4	-176.8	176.5	165.3	0	0	112.1	G856 L861 G862 R1030	G856-E859 VanDerWaalsContact O-CB 3.29Å; G856-E859 WeakPolarHBondContact O-CB 3.2Å; G856-E859 PolarHBondContact O-N 3.25Å; E859-L861 PolarHBondContact O-N 2.92Å; E859-L861 VanDerWaalsContact O-N 3.1Å; E859-G862 PolarHBondContact O-N 3.15Å; E859-R1030 HydrophobicContact CG-CB 4.43Å; E859-R1030 WeakPolarHBondContact OE1-CB 3.41Å
860	H	95.2	Very high	90.8	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.014	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63.5	-14.7	-179.3	77.6	-82.4	0	0	0	114.8	P857 G862 E974 F975 A976 N1022 L1029 R1030 L1032	P857-H860 PolarHBondContact O-CE1 2.87Å; P857-H860 PolarHBondContact O-ND1 3.2Å; P857-H860 PolarHBondContact O-NE2 3.05Å; H860-G862 PolarHBondContact O-N 2.61Å; H860-E974 PolarHBondContact NE2-O 2.8Å; H860-F975 AromaticContact CE1-CD1 3.77Å; H860-F975 AromaticContact CG-CD1 3.84Å; H860-F975 AromaticContact ND1-CD1 3.63Å; H860-A976 PolarHBondContact CD2-O 3.49Å; H860-N1022 PolarHBondContact O-ND2 2.98Å; H860-L1029 WeakPolarHBondContact O-CD1 3.48Å; H860-R1030 WeakPolarHBondContact CA-O 3.04Å; H860-R1030 WeakPolarHBondContact CB-O 3.2Å; H860-R1030 PolarHBondContact N-O 2.84Å; H860-L1032 HydrophobicContact CB-CD2 3.6Å; H860-L1032 HydrophobicContact CB-CG 4.17Å
861	L	96	Very high	90.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-63.6	-22	-178.1	-68.4	175.2	0	0	0	112.3	E858 E859 I863 L864 P953 A976	E858-L861 HydrophobicContact CB-CD1 4.11Å; E858-L861 HydrophobicContact CG-CD1 4.29Å; E858-L861 PolarHBondContact O-N 3.1Å; E859-L861 PolarHBondContact O-N 2.92Å; E859-L861 VanDerWaalsContact O-N 3.1Å; L861-I863 PolarHBondContact O-N 3.16Å; L861-I863 VanDerWaalsContact O-N 3.13Å; L861-L864 HydrophobicContact CB-CB 4.38Å; L861-L864 HydrophobicContact CD2-CD1 4.25Å; L861-L864 WeakPolarHBondContact O-CB 3.41Å; L861-L864 WeakPolarHBondContact O-CG 3.38Å; L861-L864 PolarHBondContact O-N 3.05Å; L861-P953 HydrophobicContact CD2-CG 4.28Å; L861-A976 HydrophobicContact CD2-CB 4.13Å
862	G	95.1	Very high	90.9	Very high	13 Å²	13	33.6 Å²	33.6	13%	0.134	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-120.2	174.4	0	0	0	0	0	112.1	R854 E859 H860	R854-G862 PolarHBondContact NH1-O 3.01Å; E859-G862 PolarHBondContact O-N 3.15Å; H860-G862 PolarHBondContact O-N 2.61Å
863	I	96.6	Very high	90.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.3	178.7	-163.8	167	0	0	0	112.7	W798 K837 V839 R841 L861 F982 N1022	W798-I863 HydrophobicContact CD2-CG1 4.49Å; W798-I863 HydrophobicContact CH2-CB 4.13Å; W798-I863 VanDerWaalsContact CH2-N 3.32Å; W798-I863 HydrophobicContact CZ2-CB 3.74Å; W798-I863 HydrophobicContact CZ2-CG1 4.44Å; K837-I863 HydrophobicContact CD-CD1 3.8Å; V839-I863 HydrophobicContact CG1-CD1 4.43Å; V839-I863 HydrophobicContact CG1-CG1 3.76Å; R841-I863 PolarHBondContact NH1-O 3.13Å; L861-I863 PolarHBondContact O-N 3.16Å; L861-I863 VanDerWaalsContact O-N 3.13Å; I863-F982 HydrophobicContact CD1-CD1 4.47Å; I863-F982 HydrophobicContact CD1-CE1 3.83Å; I863-F982 HydrophobicContact CD1-CZ 4.05Å; I863-F982 HydrophobicContact CG2-CE2 4.36Å; I863-F982 HydrophobicContact CG2-CZ 3.74Å; I863-N1022 WeakPolarHBondContact CG2-O 3.44Å; I863-N1022 PolarHBondContact N-O 2.85Å
864	L	97.4	Very high	91.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-50	156.1	-169.9	-67.7	176.4	0	0	0	113.2	R841 R854 L861 V951 P953 L978 N1022	R841-L864 PolarHBondContact NH1-O 2.86Å; R854-L864 PolarHBondContact NH1-O 2.95Å; R854-L864 PolarHBondContact NH2-O 3.4Å; L861-L864 HydrophobicContact CB-CB 4.38Å; L861-L864 HydrophobicContact CD2-CD1 4.25Å; L861-L864 WeakPolarHBondContact O-CB 3.41Å; L861-L864 WeakPolarHBondContact O-CG 3.38Å; L861-L864 PolarHBondContact O-N 3.05Å; L864-V951 CarbonylContact C-O 3.55Å; L864-V951 WeakPolarHBondContact CA-O 3.44Å; L864-V951 HydrophobicContact CD2-CG1 4.17Å; L864-V951 HydrophobicContact CD2-CG2 4.49Å; L864-P953 HydrophobicContact CD1-CG 4.35Å; L864-L978 HydrophobicContact CD1-CB 4.38Å; L864-L978 HydrophobicContact CD2-CB 3.81Å; L864-L978 HydrophobicContact CD2-CD2 3.68Å; L864-L978 HydrophobicContact CD2-CG 4.4Å; L864-L978 HydrophobicContact CG-CB 4.44Å; L864-N1022 WeakPolarHBondContact CD1-OD1 3.49Å
865	G	96.8	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-61	166.3	162	0	0	0	0	0	114.4	R854 Y936 V951	R854-G865 VanDerWaalsContact NH2-C 3.34Å; G865-Y936 VanDerWaalsContact CA-OH 3.31Å; G865-Y936 WeakPolarHBondContact CA-OH 3.3Å; G865-V951 PolarHBondContact N-O 2.57Å
866	P	95.1	Very high	92.5	Very high	2 Å²	2	20 Å²	20	1%	0.013	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-55	151	170.3	27.1	-39.5	0	0	0	112.9	I791 E842 I868 Y936	I791-P866 HydrophobicContact CD1-CG 3.87Å; I791-P866 HydrophobicContact CG1-CG 4.14Å; E842-P866 HydrophobicContact CB-CB 3.85Å; E842-P866 HydrophobicContact CB-CG 3.9Å; E842-P866 HydrophobicContact CG-CB 4.48Å; P866-I868 PolarHBondContact O-N 2.82Å; P866-Y936 WeakPolarHBondContact CD-OH 3.29Å; P866-Y936 WeakPolarHBondContact CG-OH 3.5Å; P866-Y936 PolarHBondContact O-OH 2.13Å
867	L	94.1	Very high	93.2	Very high	14 Å²	14	19.2 Å²	19.2	7%	0.073	11%	0.109	C	C	.	.			trans	-75.3	95.1	176.8	-177	60.3	0	0	0	111	K869 P953 Y1043	L867-K869 HydrophobicContact CG-CG 4.21Å; L867-P953 HydrophobicContact CB-CG 4.33Å; L867-P953 HydrophobicContact CD1-CB 3.69Å; L867-P953 HydrophobicContact CD1-CG 3.63Å; L867-Y1043 HydrophobicContact CD1-CD2 4.46Å; L867-Y1043 HydrophobicContact CD2-CE2 4.35Å
868	I	95	Very high	94.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.8	175.8	-55.6	-179.8	0	0	0	108.6	Y789 I791 P866 L876 V878 W916 Y936 P953 L954 T955	Y789-I868 HydrophobicContact CD2-CG2 3.9Å; Y789-I868 HydrophobicContact CE2-CG2 3.7Å; Y789-I868 HydrophobicContact CG-CG2 4.41Å; I791-I868 HydrophobicContact CD1-CD1 3.66Å; I791-I868 HydrophobicContact CD1-CG1 4.17Å; P866-I868 PolarHBondContact O-N 2.82Å; I868-L876 HydrophobicContact CG2-CD1 4Å; I868-V878 HydrophobicContact CD1-CG2 4.22Å; I868-W916 HydrophobicContact CD1-CH2 4.28Å; I868-W916 HydrophobicContact CD1-CZ3 3.93Å; I868-Y936 HydrophobicContact CB-CE1 4.46Å; I868-Y936 HydrophobicContact CD1-CD1 3.63Å; I868-Y936 HydrophobicContact CD1-CD2 4.45Å; I868-Y936 HydrophobicContact CD1-CE1 3.39Å; I868-Y936 HydrophobicContact CD1-CE2 4.24Å; I868-Y936 HydrophobicContact CD1-CG 4.15Å; I868-Y936 HydrophobicContact CG1-CD1 4.19Å; I868-Y936 HydrophobicContact CG1-CE1 3.64Å; I868-P953 PolarHBondContact N-O 3Å; I868-P953 VanDerWaalsContact N-O 3.11Å; I868-L954 HydrophobicContact CB-CD1 3.83Å; I868-L954 HydrophobicContact CG2-CD1 3.56Å; I868-L954 CarbonylContact O-C 3.59Å; I868-L954 WeakPolarHBondContact O-CA 3.47Å; I868-T955 PolarHBondContact O-N 2.7Å
869	K	94.1	Very high	94.5	Very high	22 Å²	22	14.4 Å²	14.4	10%	0.096	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.7	-179.5	-58.4	-171.4	-174.9	-179	0	112.8	R787 Y789 L867 L876 T955 L962 G966 E974	R787-K869 VanDerWaalsContact CD-O 3.32Å; R787-K869 WeakPolarHBondContact CD-O 3.47Å; Y789-K869 PolarHBondContact OH-N 2.85Å; Y789-K869 PolarHBondContact OH-O 3.21Å; L867-K869 HydrophobicContact CG-CG 4.21Å; K869-L876 WeakPolarHBondContact O-CD2 3.39Å; K869-T955 WeakPolarHBondContact CA-O 3.39Å; K869-L962 HydrophobicContact CB-CD1 3.96Å; K869-L962 HydrophobicContact CD-CD2 4.18Å; K869-G966 WeakPolarHBondContact CD-O 3.46Å; K869-G966 PolarHBondContact NZ-O 2.88Å; K869-E974 WeakPolarHBondContact CE-OE1 3.37Å; K869-E974 IonicContact NZ-OE1 3Å; K869-E974 PolarHBondContact NZ-OE1 2.93Å; K869-E974 IonicContact NZ-OE2 3.63Å; K869-E974 PolarHBondContact NZ-OE2 2.79Å
870	G	93.7	Very high	94.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.6	175.1	0	0	0	0	0	113.7	T955 I956 C957	G870-T955 PolarHBondContact N-O 3.26Å; G870-I956 WeakPolarHBondContact O-CA 3.49Å; G870-C957 PolarHBondContact O-N 3.19Å
871	E	93.6	Very high	94.8	Very high	17 Å²	17	11.7 Å²	11.7	8%	0.079	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	157.6	168.3	-61	-154.9	138.3	0	0	112.4	G873 D874 I918 C957 K959 G960 I961 L962	E871-G873 PolarHBondContact O-N 2.87Å; E871-G873 VanDerWaalsContact O-N 3.1Å; E871-D874 PolarHBondContact N-OD2 2.76Å; E871-D874 WeakPolarHBondContact O-CB 3.34Å; E871-D874 PolarHBondContact O-N 2.95Å; E871-I918 WeakPolarHBondContact O-CG2 3.32Å; E871-C957 WeakPolarHBondContact CA-O 3.38Å; E871-K959 WeakPolarHBondContact OE2-CA 3.29Å; E871-G960 WeakPolarHBondContact OE1-CA 3.47Å; E871-G960 PolarHBondContact OE1-N 3.4Å; E871-G960 PolarHBondContact OE2-N 3.1Å; E871-I961 PolarHBondContact OE1-N 2.98Å; E871-L962 HydrophobicContact CG-CB 3.93Å; E871-L962 HydrophobicContact CG-CD1 3.93Å; E871-L962 HydrophobicContact CG-CG 4.11Å; E871-L962 PolarHBondContact OE1-N 3.13Å
872	V	93.8	Very high	94.9	Very high	31 Å²	31	11.7 Å²	11.7	19%	0.188	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	114.8	166.7	174	0	0	0	0	110.6	E920 I956 C957	V872-E920 HydrophobicContact CG1-CB 4.18Å; V872-I956 HydrophobicContact CG2-CG2 4.43Å; V872-C957 PolarHBondContact N-O 2.67Å; V872-C957 VanDerWaalsContact N-O 3.15Å
873	G	91	Very high	95	Very high	14 Å²	14	14.9 Å²	14.9	14%	0.144	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	6	-174.4	0	0	0	0	0	115.5	Y783 Q784 E871 I918	Y783-G873 CarbonylContact C-O 3.47Å; Y783-G873 WeakPolarHBondContact CA-O 3.1Å; Q784-G873 PolarHBondContact N-O 2.82Å; E871-G873 PolarHBondContact O-N 2.87Å; E871-G873 VanDerWaalsContact O-N 3.1Å; G873-I918 PolarHBondContact N-O 3.14Å
874	D	92.1	Very high	94.9	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.048	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	162	169.1	-71	-12.5	0	0	0	112.3	A785 R787 E871 L876 I918	A785-D874 WeakPolarHBondContact O-CA 3.37Å; R787-D874 IonicContact CZ-OD2 3.65Å; R787-D874 IonicContact NE-OD2 3.02Å; R787-D874 PolarHBondContact NE-OD2 2.98Å; R787-D874 IonicContact NH2-OD2 3.73Å; R787-D874 PolarHBondContact NH2-OD2 3.42Å; R787-D874 VanDerWaalsContact NH2-OD2 3.14Å; E871-D874 PolarHBondContact N-OD2 2.76Å; E871-D874 WeakPolarHBondContact O-CB 3.34Å; E871-D874 PolarHBondContact O-N 2.95Å; D874-L876 HydrophobicContact CB-CD2 4.41Å; D874-I918 PolarHBondContact O-N 2.64Å
875	I	92.8	Very high	94.8	Very high	44 Å²	44	18.4 Å²	18.4	23%	0.226	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123	159.6	-52.5	179.8	0	0	0	107.9	Y783 A785 A786 R787 W916	Y783-I875 HydrophobicContact CD1-CG1 4.36Å; Y783-I875 HydrophobicContact CD2-CD1 4.41Å; Y783-I875 HydrophobicContact CD2-CG1 4.4Å; Y783-I875 HydrophobicContact CG-CD1 4.28Å; Y783-I875 HydrophobicContact CG-CG1 3.88Å; A785-I875 PolarHBondContact O-N 3.42Å; A786-I875 CarbonylContact C-O 3.6Å; A786-I875 VanDerWaalsContact CA-O 3.26Å; A786-I875 WeakPolarHBondContact CA-O 3.48Å; R787-I875 PolarHBondContact N-O 3.43Å; I875-W916 WeakPolarHBondContact CA-O 3.23Å
876	L	93.9	Very high	94.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.1	172.1	-51.2	-175.3	0	0	0	108.7	R787 I868 K869 D874 W916 I918 L954 I956	R787-L876 HydrophobicContact CB-CD2 3.84Å; R787-L876 HydrophobicContact CG-CD2 4.19Å; I868-L876 HydrophobicContact CG2-CD1 4Å; K869-L876 WeakPolarHBondContact O-CD2 3.39Å; D874-L876 HydrophobicContact CB-CD2 4.41Å; L876-W916 HydrophobicContact CB-CB 4.35Å; L876-W916 HydrophobicContact CB-CE3 4.28Å; L876-W916 PolarHBondContact N-O 2.92Å; L876-W916 PolarHBondContact O-N 3.22Å; L876-I918 HydrophobicContact CD1-CD1 3.87Å; L876-I918 HydrophobicContact CD1-CG1 4.22Å; L876-I918 HydrophobicContact CG-CD1 4.01Å; L876-I918 HydrophobicContact CG-CG1 3.96Å; L876-L954 HydrophobicContact CD1-CD1 3.76Å; L876-I956 HydrophobicContact CD1-CD1 4.09Å
877	T	94.5	Very high	94.8	Very high	17 Å²	17	23.3 Å²	23.3	10%	0.104	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106	178.3	-57.6	0	0	0	0	108.5	R787 I788 Y789 V879 T913 Y914 Q915	R787-T877 PolarHBondContact O-N 3.29Å; I788-T877 WeakPolarHBondContact CA-O 3.4Å; Y789-T877 PolarHBondContact N-O 3.03Å; T877-V879 HydrophobicContact CG2-CG2 4.37Å; T877-T913 HydrophobicContact CG2-CG2 3.49Å; T877-T913 VanDerWaalsContact CG2-CG2 3.49Å; T877-Y914 WeakPolarHBondContact CA-O 3.32Å; T877-Q915 HydrophobicContact CG2-CG 4.34Å
878	V	95.4	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	106.2	176.6	-178.8	0	0	0	0	108.3	I791 I868 F880 V890 T913 Y914 W916	I791-V878 HydrophobicContact CB-CG1 4.27Å; I791-V878 HydrophobicContact CD1-CG1 3.94Å; I791-V878 HydrophobicContact CG1-CG1 4.21Å; I868-V878 HydrophobicContact CD1-CG2 4.22Å; V878-F880 PolarHBondContact O-N 3.43Å; V878-V890 HydrophobicContact CG1-CG1 4.5Å; V878-T913 CarbonylContact O-C 3.56Å; V878-T913 WeakPolarHBondContact O-CA 3.12Å; V878-Y914 HydrophobicContact CB-CD2 4.49Å; V878-Y914 PolarHBondContact N-O 2.67Å; V878-Y914 PolarHBondContact O-N 3.44Å; V878-W916 HydrophobicContact CG2-CE3 3.98Å; V878-W916 HydrophobicContact CG2-CH2 3.74Å; V878-W916 HydrophobicContact CG2-CZ2 4.34Å; V878-W916 HydrophobicContact CG2-CZ3 3.55Å
879	V	96.8	Very high	94.9	Very high	22 Å²	22	22.7 Å²	22.7	13%	0.133	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	105.8	170.4	-175.3	0	0	0	0	106.6	I788 Y789 Y790 I791 F848 T877 V911 T913	I788-V879 HydrophobicContact CG2-CG2 4.03Å; Y789-V879 PolarHBondContact O-N 3.35Å; Y790-V879 WeakPolarHBondContact CA-O 3.36Å; Y790-V879 HydrophobicContact CD1-CB 3.71Å; Y790-V879 HydrophobicContact CD1-CG1 4.08Å; Y790-V879 HydrophobicContact CD1-CG2 4.05Å; Y790-V879 HydrophobicContact CE1-CB 4.09Å; Y790-V879 HydrophobicContact CE1-CG1 4.42Å; Y790-V879 HydrophobicContact CE1-CG2 3.91Å; I791-V879 PolarHBondContact N-O 3.05Å; F848-V879 HydrophobicContact CE2-CG1 4.34Å; F848-V879 HydrophobicContact CZ-CG1 4.08Å; T877-V879 HydrophobicContact CG2-CG2 4.37Å; V879-V911 HydrophobicContact CG1-CG1 3.87Å; V879-T913 HydrophobicContact CG2-CG2 4.12Å
880	F	97.1	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.5	-173.4	175.5	-117.7	0	0	0	111	I791 A793 F840 V878 N882 V890 A906 V911 L912 Y914	I791-F880 HydrophobicContact CG2-CD2 4.39Å; I791-F880 CarbonylContact O-C 3.55Å; I791-F880 VanDerWaalsContact O-CA 3.27Å; I791-F880 WeakPolarHBondContact O-CA 3.39Å; I791-F880 WeakPolarHBondContact O-CD2 3.18Å; A793-F880 HydrophobicContact CB-CE2 3.71Å; A793-F880 HydrophobicContact CB-CZ 3.65Å; F840-F880 HydrophobicContact CD1-CE2 4.08Å; F840-F880 HydrophobicContact CE1-CD2 4.49Å; F840-F880 AromaticContact CE1-CE2 3.72Å; F840-F880 HydrophobicContact CE1-CE2 3.72Å; F840-F880 HydrophobicContact CE1-CZ 4.24Å; V878-F880 PolarHBondContact O-N 3.43Å; F880-N882 HydrophobicContact CE1-CB 4.08Å; F880-N882 HydrophobicContact CZ-CB 4.32Å; F880-V890 HydrophobicContact CB-CG2 3.95Å; F880-V890 HydrophobicContact CD1-CG2 3.93Å; F880-V890 HydrophobicContact CD2-CG2 3.34Å; F880-V890 HydrophobicContact CE1-CG2 4.21Å; F880-V890 HydrophobicContact CE2-CG2 3.69Å; F880-V890 HydrophobicContact CG-CG2 3.46Å; F880-V890 VanDerWaalsContact CG-CG2 3.46Å; F880-V890 HydrophobicContact CZ-CG2 4.1Å; F880-A906 HydrophobicContact CD1-CB 3.95Å; F880-A906 HydrophobicContact CE1-CB 3.89Å; F880-V911 CarbonylContact O-C 3.58Å; F880-V911 VanDerWaalsContact O-CA 3.26Å; F880-V911 WeakPolarHBondContact O-CA 3.35Å; F880-V911 WeakPolarHBondContact O-CG1 3.18Å; F880-L912 PolarHBondContact N-O 3.34Å; F880-L912 PolarHBondContact O-N 2.92Å; F880-Y914 HydrophobicContact CB-CD2 4.06Å; F880-Y914 HydrophobicContact CB-CE2 3.55Å; F880-Y914 AromaticContact CD1-CE2 3.96Å; F880-Y914 HydrophobicContact CD1-CE2 3.96Å; F880-Y914 HydrophobicContact CG-CE2 4.01Å
881	K	97.1	Very high	94.8	Very high	40 Å²	40	22.7 Å²	22.7	17%	0.174	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	166.5	177.7	172.7	168.7	-134.5	0	110.5	I791 M792 A793 F848 N883 E910 V911	I791-K881 PolarHBondContact O-N 2.9Å; M792-K881 VanDerWaalsContact CA-O 3.26Å; M792-K881 WeakPolarHBondContact CA-O 3.37Å; M792-K881 HydrophobicContact CE-CD 4.24Å; M792-K881 HydrophobicContact CG-CB 4.26Å; M792-K881 HydrophobicContact CG-CG 4.36Å; M792-K881 WeakPolarHBondContact CG-O 3.27Å; A793-K881 PolarHBondContact N-O 2.56Å; F848-K881 HydrophobicContact CB-CD 4.3Å; F848-K881 HydrophobicContact CD1-CB 4.08Å; F848-K881 HydrophobicContact CD2-CB 4.05Å; F848-K881 HydrophobicContact CD2-CD 4.03Å; F848-K881 HydrophobicContact CE1-CB 3.82Å; F848-K881 HydrophobicContact CE2-CB 3.79Å; F848-K881 HydrophobicContact CG-CB 4.19Å; F848-K881 HydrophobicContact CG-CD 4.1Å; F848-K881 HydrophobicContact CZ-CB 3.66Å; K881-N883 WeakPolarHBondContact CE-OD1 3.16Å; K881-N883 PolarHBondContact NZ-OD1 2.86Å; K881-E910 WeakPolarHBondContact CA-O 3.49Å; K881-V911 HydrophobicContact CB-CG2 3.98Å; K881-V911 HydrophobicContact CD-CG2 4.12Å; K881-V911 HydrophobicContact CG-CG2 3.95Å
882	N	97.3	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.5	165.5	-171.2	1.6	0	0	0	109.7	F880 A884 R886 Y888 A906 G909 E910	F880-N882 HydrophobicContact CE1-CB 4.08Å; F880-N882 HydrophobicContact CZ-CB 4.32Å; N882-A884 WeakPolarHBondContact OD1-CB 3.16Å; N882-A884 PolarHBondContact OD1-N 3.44Å; N882-R886 PolarHBondContact ND2-O 2.88Å; N882-Y888 PolarHBondContact ND2-N 3.17Å; N882-A906 HydrophobicContact CB-CB 3.99Å; N882-A906 PolarHBondContact ND2-O 3.38Å; N882-G909 WeakPolarHBondContact O-CA 2.91Å; N882-G909 PolarHBondContact O-N 3.07Å; N882-E910 PolarHBondContact N-O 3.01Å
883	N	96.7	Very high	94.4	Very high	81 Å²	81	21 Å²	21	43%	0.433	12%	0.118	S	C	.	.			trans	-127.6	16.6	174.3	-159.4	99.1	0	0	0	111.5	M792 A793 K881	M792-N883 HydrophobicContact CG-CB 3.7Å; M792-N883 HydrophobicContact SD-CB 3.32Å; M792-N883 WeakPolarHBondContact SD-CB 3.31Å; A793-N883 CarbonylContact O-C 3.59Å; A793-N883 WeakPolarHBondContact O-CA 3.44Å; A793-N883 WeakPolarHBondContact O-CB 3.44Å; A793-N883 PolarHBondContact O-N 3.23Å; K881-N883 WeakPolarHBondContact CE-OD1 3.16Å; K881-N883 PolarHBondContact NZ-OD1 2.86Å
884	A	95.8	Very high	94.2	Very high	8 Å²	8	21 Å²	21	7%	0.066	12%	0.118	C	C	.	.	S	Bend	trans	-91	176.1	171.7	0	0	0	0	0	111.5	A793 E795 N882 Y888 P908	A793-A884 PolarHBondContact O-N 3.46Å; E795-A884 HydrophobicContact CG-CB 3.79Å; N882-A884 WeakPolarHBondContact OD1-CB 3.16Å; N882-A884 PolarHBondContact OD1-N 3.44Å; A884-Y888 HydrophobicContact CB-CD2 3.7Å; A884-Y888 HydrophobicContact CB-CE2 3.48Å; A884-Y888 VanDerWaalsContact CB-CE2 3.48Å; A884-P908 WeakPolarHBondContact O-CB 3.42Å
885	S	95	Very high	94	Very high	65 Å²	65	20.8 Å²	20.8	46%	0.455	12%	0.117	S	C	.	.	S	Bend	trans	-75.5	-14.8	-178.2	57.2	0	0	0	0	115.3	E795	E795-S885 VanDerWaalsContact OE1-CB 3.23Å; E795-S885 WeakPolarHBondContact OE1-CB 3.5Å; E795-S885 PolarHBondContact OE1-N 2.85Å; E795-S885 PolarHBondContact OE1-OG 2.76Å
886	R	95.1	Very high	93.7	Very high	60 Å²	60	20.1 Å²	20.1	23%	0.226	11%	0.114	C	C	.	.	S	Bend	trans	-135.6	161.5	-173.1	69.8	-172.1	69	-135.8	2	112.7	N882 Y888 W988	N882-R886 PolarHBondContact ND2-O 2.88Å; R886-Y888 WeakPolarHBondContact CD-OH 3.18Å; R886-Y888 HydrophobicContact CG-CD1 4.36Å; R886-Y888 HydrophobicContact CG-CD2 4.3Å; R886-Y888 HydrophobicContact CG-CE1 3.82Å; R886-Y888 HydrophobicContact CG-CE2 3.76Å; R886-W988 VanDerWaalsContact CZ-CB 3.5Å; R886-W988 VanDerWaalsContact NH1-CD2 3.31Å; R886-W988 PolarHBondContact NH2-O 3.44Å
887	P	96.6	Very high	93.3	Very high	45 Å²	45	21.4 Å²	21.4	29%	0.292	12%	0.12	S	C	.	.			trans	-63.2	134.8	178.1	-19.6	32.4	0	0	0	111.9	A905 A906	P887-A905 HydrophobicContact CB-CB 4.27Å; P887-A906 WeakPolarHBondContact CA-O 3.41Å
888	Y	96.6	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-140.4	163	177.2	-72.3	-49	0	0	0	110.1	A793 A838 N882 A884 R886 A906 D945 L950 Y989	A793-Y888 HydrophobicContact CB-CD2 4.38Å; A838-Y888 HydrophobicContact CB-CE2 3.73Å; N882-Y888 PolarHBondContact ND2-N 3.17Å; A884-Y888 HydrophobicContact CB-CD2 3.7Å; A884-Y888 HydrophobicContact CB-CE2 3.48Å; A884-Y888 VanDerWaalsContact CB-CE2 3.48Å; R886-Y888 WeakPolarHBondContact CD-OH 3.18Å; R886-Y888 HydrophobicContact CG-CD1 4.36Å; R886-Y888 HydrophobicContact CG-CD2 4.3Å; R886-Y888 HydrophobicContact CG-CE1 3.82Å; R886-Y888 HydrophobicContact CG-CE2 3.76Å; Y888-A906 PolarHBondContact N-O 3.41Å; Y888-A906 PolarHBondContact O-N 2.92Å; Y888-D945 HydrophobicContact CD1-CB 4.39Å; Y888-D945 HydrophobicContact CE1-CB 4.18Å; Y888-D945 WeakPolarHBondContact CE1-OD1 3.49Å; Y888-L950 HydrophobicContact CD1-CD1 3.39Å; Y888-L950 HydrophobicContact CD2-CD1 3.58Å; Y888-L950 HydrophobicContact CE1-CD1 3.55Å; Y888-L950 HydrophobicContact CE2-CD1 3.71Å; Y888-L950 HydrophobicContact CG-CD1 3.4Å; Y888-Y989 PolarHBondContact OH-OH 2.93Å; Y888-Y989 VanDerWaalsContact OH-OH 3.1Å
889	S	95.1	Very high	90.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	16%	0.163	C	C	.	.			trans	-135	179.2	-179.8	64.1	0	0	0	0	112.3	Y914 S938 A939	S889-Y914 VanDerWaalsContact CA-OH 3.29Å; S889-Y914 WeakPolarHBondContact CA-OH 3.18Å; S889-S938 PolarHBondContact N-OG 3.47Å; S889-S938 WeakPolarHBondContact O-CA 3.41Å; S889-S938 WeakPolarHBondContact O-CB 3.5Å; S889-S938 PolarHBondContact OG-OG 2.95Å; S889-A939 PolarHBondContact OG-N 2.75Å
890	V	93.8	Very high	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.			trans	-134.3	112.4	169.5	-165.9	0	0	0	0	109.2	F840 V878 F880 Y914 W916 Y936	F840-V890 HydrophobicContact CE1-CG2 3.85Å; F840-V890 HydrophobicContact CZ-CG2 4.18Å; V878-V890 HydrophobicContact CG1-CG1 4.5Å; F880-V890 HydrophobicContact CB-CG2 3.95Å; F880-V890 HydrophobicContact CD1-CG2 3.93Å; F880-V890 HydrophobicContact CD2-CG2 3.34Å; F880-V890 HydrophobicContact CE1-CG2 4.21Å; F880-V890 HydrophobicContact CE2-CG2 3.69Å; F880-V890 HydrophobicContact CG-CG2 3.46Å; F880-V890 VanDerWaalsContact CG-CG2 3.46Å; F880-V890 HydrophobicContact CZ-CG2 4.1Å; V890-Y914 HydrophobicContact CB-CD2 3.92Å; V890-Y914 HydrophobicContact CB-CE2 3.65Å; V890-Y914 HydrophobicContact CG2-CD2 4.38Å; V890-Y914 HydrophobicContact CG2-CE2 3.82Å; V890-Y914 PolarHBondContact N-OH 3.13Å; V890-Y914 WeakPolarHBondContact O-CD1 3.46Å; V890-W916 HydrophobicContact CG1-CH2 3.81Å; V890-W916 HydrophobicContact CG1-CZ2 3.9Å; V890-Y936 HydrophobicContact CG1-CD2 3.62Å; V890-Y936 HydrophobicContact CG1-CE2 4.16Å; V890-Y936 HydrophobicContact CG1-CG 4.46Å
891	H	91.1	Very high	86.9	Confident	22 Å²	22	35.8 Å²	35.8	10%	0.102	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.8	174.3	-176.3	56.4	0	0	0	109.8	E897 P903 Y936 Y937 A939	H891-E897 IonicContact CE1-OE1 2.98Å; H891-E897 IonicContact CG-OE1 2.69Å; H891-E897 IonicContact ND1-OE1 3.94Å; H891-E897 PolarHBondContact ND1-OE1 3.4Å; H891-E897 IonicContact ND1-OE2 3.41Å; H891-P903 HydrophobicContact CB-CB 4.41Å; H891-P903 HydrophobicContact CB-CG 3.79Å; H891-Y936 CarbonylContact O-C 3.52Å; H891-Y936 WeakPolarHBondContact O-CA 3.49Å; H891-Y936 VanDerWaalsContact O-CB 3.23Å; H891-Y936 WeakPolarHBondContact O-CB 3.26Å; H891-Y937 AromaticContact CD2-CZ 3.95Å; H891-Y937 PolarHBondContact N-O 3.32Å; H891-Y937 PolarHBondContact O-N 3.1Å; H891-A939 HydrophobicContact CB-CB 3.87Å
892	A	91.5	Very high	85.2	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.9	-179.5	0	0	0	0	0	112.4	V895 W916 I935 L954	A892-V895 HydrophobicContact CB-CG1 4.31Å; A892-V895 HydrophobicContact CB-CG2 3.99Å; A892-V895 WeakPolarHBondContact O-CG2 3.23Å; A892-W916 HydrophobicContact CB-CD2 4.2Å; A892-W916 HydrophobicContact CB-CE3 4.17Å; A892-W916 HydrophobicContact CB-CH2 3.74Å; A892-W916 HydrophobicContact CB-CZ2 3.77Å; A892-W916 HydrophobicContact CB-CZ3 3.94Å; A892-I935 WeakPolarHBondContact CA-O 3.43Å; A892-L954 HydrophobicContact CB-CD2 3.72Å
893	H	88.1	Confident	83.9	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.046	25%	0.249	C	C	.	.	S	Bend	trans	-70.5	160.7	168.8	-73.1	120.5	0	0	0	111.2	M713 V895 W934 I935 Y937 F1083	M713-H893 VanDerWaalsContact SD-CD2 3.59Å; H893-V895 PolarHBondContact O-N 2.69Å; H893-W934 HydrophobicContact CB-CE3 4.3Å; H893-I935 PolarHBondContact N-O 3.34Å; H893-I935 VanDerWaalsContact ND1-CG1 3.33Å; H893-I935 WeakPolarHBondContact ND1-CG1 3.39Å; H893-Y937 AromaticContact CE1-CE1 3.4Å; H893-Y937 WeakPolarHBondContact CE1-CE1 3.15Å; H893-Y937 AromaticContact CE1-CZ 3.95Å; H893-Y937 AromaticContact ND1-CE1 3.71Å; H893-Y937 AromaticContact NE2-CE1 3.93Å; H893-F1083 HydrophobicContact CB-CE2 4.43Å
894	G	85.5	Confident	83.3	Confident	13 Å²	13	44.1 Å²	44.1	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	78.6	-38.1	176.4	0	0	0	0	0	116.3	T718 R921 S922	T718-G894 WeakPolarHBondContact CG2-O 3.4Å; G894-R921 PolarHBondContact O-NH1 2.91Å; G894-S922 VanDerWaalsContact O-CB 3.27Å; G894-S922 WeakPolarHBondContact O-CB 3.22Å; G894-S922 PolarHBondContact O-OG 3.26Å
895	V	88.7	Confident	83.1	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.036	27%	0.272	C	S	.	.			trans	-75.3	173.1	-169.8	-55.1	0	0	0	0	115	A892 H893 W916 I918 R921 S922 L954	A892-V895 HydrophobicContact CB-CG1 4.31Å; A892-V895 HydrophobicContact CB-CG2 3.99Å; A892-V895 WeakPolarHBondContact O-CG2 3.23Å; H893-V895 PolarHBondContact O-N 2.69Å; V895-W916 HydrophobicContact CB-CB 4Å; V895-W916 HydrophobicContact CB-CG 4.34Å; V895-W916 HydrophobicContact CG1-CB 4.23Å; V895-W916 HydrophobicContact CG2-CB 3.99Å; V895-W916 HydrophobicContact CG2-CD2 4.28Å; V895-W916 HydrophobicContact CG2-CG 3.8Å; V895-I918 HydrophobicContact CB-CD1 4.31Å; V895-I918 HydrophobicContact CG1-CD1 3.71Å; V895-R921 PolarHBondContact O-NH1 2.87Å; V895-S922 WeakPolarHBondContact CA-OG 3.19Å; V895-L954 HydrophobicContact CG1-CD2 3.61Å
896	L	87.3	Confident	83	Confident	30 Å²	30	42.6 Å²	42.6	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	104.7	169.9	175	64.2	0	0	0	110.3	N745 N917 P919	N745-L896 HydrophobicContact CB-CD1 4Å; L896-N917 HydrophobicContact CB-CB 4.43Å; L896-N917 PolarHBondContact N-O 2.72Å; L896-N917 VanDerWaalsContact N-O 3.12Å; L896-N917 WeakPolarHBondContact O-CB 3.32Å; L896-N917 PolarHBondContact O-N 2.81Å; L896-N917 PolarHBondContact O-ND2 3.18Å; L896-N917 VanDerWaalsContact O-ND2 3.1Å; L896-P919 HydrophobicContact CB-CG 3.93Å; L896-P919 HydrophobicContact CD2-CG 4.25Å
897	E	83.5	Confident	83.1	Confident	27 Å²	27	44.9 Å²	44.9	13%	0.126	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.7	177.9	-53.9	-153.1	146.7	0	0	112.4	H891 T899 W916	H891-E897 IonicContact CE1-OE1 2.98Å; H891-E897 IonicContact CG-OE1 2.69Å; H891-E897 IonicContact ND1-OE1 3.94Å; H891-E897 PolarHBondContact ND1-OE1 3.4Å; H891-E897 IonicContact ND1-OE2 3.41Å; E897-T899 VanDerWaalsContact C-N 3.28Å; E897-T899 PolarHBondContact O-N 2.99Å; E897-W916 PolarHBondContact OE1-NE1 2.92Å
898	S	71.7	Confident	83.1	Confident	59 Å²	59	45.7 Å²	45.7	41%	0.413	27%	0.268	S	S	.	.	S	Bend	trans	-72.5	-18.3	179.7	-67.4	0	0	0	0	114.3	Q915 N917	S898-Q915 PolarHBondContact N-O 3.31Å; S898-Q915 PolarHBondContact OG-O 2.85Å; S898-N917 PolarHBondContact OG-ND2 3Å
899	T	64.5	Low	82.9	Confident	98 Å²	98	48 Å²	48	60%	0.601	29%	0.292	S	S	*	.	S	Bend	trans	-110	126.3	-179.1	39.8	0	0	0	0	110.5	E897 G901	E897-T899 VanDerWaalsContact C-N 3.28Å; E897-T899 PolarHBondContact O-N 2.99Å; T899-G901 PolarHBondContact O-N 3.05Å
900	T	56.3	Low	83	Confident	124 Å²	124	51.9 Å²	51.9	76%	0.761	31%	0.31	S	S	*	.	S	Bend	trans	-81	100.5	176.3	52.8	0	0	0	0	110.6
901	G	57.8	Low	83.1	Confident	60 Å²	60	55.3 Å²	55.3	62%	0.619	33%	0.331	S	S	*	.	S	Bend	trans	170.8	-171.3	177.9	0	0	0	0	0	111.8	T899	T899-G901 PolarHBondContact O-N 3.05Å
902	W	61.9	Low	83.2	Confident	151 Å²	151	55.7 Å²	55.7	57%	0.572	33%	0.334	S	S	*	.	S	Bend	trans	-73.6	150.8	164.2	-75.8	85.3	0	0	0	110.2	Q715 L904	Q715-W902 VanDerWaalsContact NE2-CH2 3.34Å; W902-L904 PolarHBondContact O-N 3Å
903	P	69.9	Low	83.3	Confident	23 Å²	23	59.2 Å²	59.2	15%	0.149	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-55.2	134.5	174.4	-26.1	35.7	0	0	0	111.7	H891 A905 A939	H891-P903 HydrophobicContact CB-CB 4.41Å; H891-P903 HydrophobicContact CB-CG 3.79Å; P903-A905 PolarHBondContact O-N 3.46Å; P903-A939 HydrophobicContact CB-CB 4.49Å; P903-A939 HydrophobicContact CG-CB 4.06Å
904	L	83.3	Confident	83.5	Confident	121 Å²	121	59.6 Å²	59.6	63%	0.634	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-69.6	123.9	175	-71.6	164.7	0	0	0	109.5	W902 L912 Y914	W902-L904 PolarHBondContact O-N 3Å; L904-L912 HydrophobicContact CB-CD1 3.81Å; L904-Y914 PolarHBondContact O-OH 3.34Å
905	A	90.8	Very high	83.8	Confident	42 Å²	42	63.5 Å²	63.5	35%	0.347	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-69.2	137.5	167.8	0	0	0	0	0	110	P887 P903 L912 V940	P887-A905 HydrophobicContact CB-CB 4.27Å; P903-A905 PolarHBondContact O-N 3.46Å; A905-L912 WeakPolarHBondContact O-CD1 3.47Å; A905-V940 HydrophobicContact CB-CG2 3.72Å
906	A	93.9	Very high	84	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-92.8	125.1	170.1	0	0	0	0	0	109.2	F880 N882 P887 Y888 E910 L912	F880-A906 HydrophobicContact CD1-CB 3.95Å; F880-A906 HydrophobicContact CE1-CB 3.89Å; N882-A906 HydrophobicContact CB-CB 3.99Å; N882-A906 PolarHBondContact ND2-O 3.38Å; P887-A906 WeakPolarHBondContact CA-O 3.41Å; Y888-A906 PolarHBondContact N-O 3.41Å; Y888-A906 PolarHBondContact O-N 2.92Å; A906-E910 HydrophobicContact CB-CB 4.35Å; A906-L912 HydrophobicContact CB-CB 4.43Å; A906-L912 HydrophobicContact CB-CD1 3.75Å; A906-L912 HydrophobicContact CB-CG 3.79Å
907	E	96.6	Very high	84.2	Confident	108 Å²	108	62.7 Å²	62.7	51%	0.505	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-67.1	158.1	175	-72.3	-65.2	153.9	0	0	111.7	G909 E910	E907-G909 PolarHBondContact O-N 3.26Å; E907-G909 VanDerWaalsContact O-N 3.1Å; E907-E910 HydrophobicContact CB-CB 4.35Å; E907-E910 PolarHBondContact N-OE2 2.9Å; E907-E910 WeakPolarHBondContact O-CB 3.1Å; E907-E910 PolarHBondContact O-N 2.96Å
908	P	96.5	Very high	84.7	Confident	62 Å²	62	61.4 Å²	61.4	40%	0.403	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	116.5	176.1	-32.3	39.4	0	0	0	113.7	A884	A884-P908 WeakPolarHBondContact O-CB 3.42Å
909	G	93.9	Very high	85.6	Confident	49 Å²	49	58.9 Å²	58.9	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-7.1	-176.9	0	0	0	0	0	115.5	N882 E907	N882-G909 WeakPolarHBondContact O-CA 2.91Å; N882-G909 PolarHBondContact O-N 3.07Å; E907-G909 PolarHBondContact O-N 3.26Å; E907-G909 VanDerWaalsContact O-N 3.1Å
910	E	95.8	Very high	86.9	Confident	82 Å²	82	60.9 Å²	60.9	38%	0.383	35%	0.345	S	S	.	.			trans	-75.2	155.5	177.9	-170.6	168.3	-146.9	0	0	112.6	K881 N882 A906 E907 L912	K881-E910 WeakPolarHBondContact CA-O 3.49Å; N882-E910 PolarHBondContact N-O 3.01Å; A906-E910 HydrophobicContact CB-CB 4.35Å; E907-E910 HydrophobicContact CB-CB 4.35Å; E907-E910 PolarHBondContact N-OE2 2.9Å; E907-E910 WeakPolarHBondContact O-CB 3.1Å; E907-E910 PolarHBondContact O-N 2.96Å; E910-L912 HydrophobicContact CG-CD2 4.12Å; E910-L912 HydrophobicContact CG-CG 4.32Å
911	V	95.9	Very high	88.6	Confident	71 Å²	71	56 Å²	56	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.7	172.1	-172.7	0	0	0	0	109.3	F848 V879 F880 K881	F848-V911 HydrophobicContact CE2-CG1 3.95Å; F848-V911 HydrophobicContact CE2-CG2 4.36Å; F848-V911 HydrophobicContact CZ-CG1 4.38Å; V879-V911 HydrophobicContact CG1-CG1 3.87Å; F880-V911 CarbonylContact O-C 3.58Å; F880-V911 VanDerWaalsContact O-CA 3.26Å; F880-V911 WeakPolarHBondContact O-CA 3.35Å; F880-V911 WeakPolarHBondContact O-CG1 3.18Å; K881-V911 HydrophobicContact CB-CG2 3.98Å; K881-V911 HydrophobicContact CD-CG2 4.12Å; K881-V911 HydrophobicContact CG-CG2 3.95Å
912	L	94.3	Very high	90.3	Very high	31 Å²	31	53.2 Å²	53.2	16%	0.162	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	171.7	173.5	-65.1	-171.8	0	0	0	111	F880 L904 A905 A906 E910	F880-L912 PolarHBondContact N-O 3.34Å; F880-L912 PolarHBondContact O-N 2.92Å; L904-L912 HydrophobicContact CB-CD1 3.81Å; A905-L912 WeakPolarHBondContact O-CD1 3.47Å; A906-L912 HydrophobicContact CB-CB 4.43Å; A906-L912 HydrophobicContact CB-CD1 3.75Å; A906-L912 HydrophobicContact CB-CG 3.79Å; E910-L912 HydrophobicContact CG-CD2 4.12Å; E910-L912 HydrophobicContact CG-CG 4.32Å
913	T	93.1	Very high	91.8	Very high	76 Å²	76	46 Å²	46	47%	0.466	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	113	176.9	-61.9	0	0	0	0	110.3	T877 V878 V879	T877-T913 HydrophobicContact CG2-CG2 3.49Å; T877-T913 VanDerWaalsContact CG2-CG2 3.49Å; V878-T913 CarbonylContact O-C 3.56Å; V878-T913 WeakPolarHBondContact O-CA 3.12Å; V879-T913 HydrophobicContact CG2-CG2 4.12Å
914	Y	92.1	Very high	93	Very high	18 Å²	18	45.7 Å²	45.7	7%	0.071	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143	176	-50.5	-85.3	0	0	0	109.6	T877 V878 F880 S889 V890 L904	T877-Y914 WeakPolarHBondContact CA-O 3.32Å; V878-Y914 HydrophobicContact CB-CD2 4.49Å; V878-Y914 PolarHBondContact N-O 2.67Å; V878-Y914 PolarHBondContact O-N 3.44Å; F880-Y914 HydrophobicContact CB-CD2 4.06Å; F880-Y914 HydrophobicContact CB-CE2 3.55Å; F880-Y914 AromaticContact CD1-CE2 3.96Å; F880-Y914 HydrophobicContact CD1-CE2 3.96Å; F880-Y914 HydrophobicContact CG-CE2 4.01Å; S889-Y914 VanDerWaalsContact CA-OH 3.29Å; S889-Y914 WeakPolarHBondContact CA-OH 3.18Å; V890-Y914 HydrophobicContact CB-CD2 3.92Å; V890-Y914 HydrophobicContact CB-CE2 3.65Å; V890-Y914 HydrophobicContact CG2-CD2 4.38Å; V890-Y914 HydrophobicContact CG2-CE2 3.82Å; V890-Y914 PolarHBondContact N-OH 3.13Å; V890-Y914 WeakPolarHBondContact O-CD1 3.46Å; L904-Y914 PolarHBondContact O-OH 3.34Å
915	Q	92.4	Very high	93.4	Very high	95 Å²	95	40.3 Å²	40.3	44%	0.444	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	110	176.6	-72.4	-172.5	-16.4	0	0	109.8	T877 S898	T877-Q915 HydrophobicContact CG2-CG 4.34Å; S898-Q915 PolarHBondContact N-O 3.31Å; S898-Q915 PolarHBondContact OG-O 2.85Å
916	W	92.7	Very high	93.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116	178.7	-56.4	-31.7	0	0	0	109	I868 I875 L876 V878 V890 A892 V895 E897 Y936	I868-W916 HydrophobicContact CD1-CH2 4.28Å; I868-W916 HydrophobicContact CD1-CZ3 3.93Å; I875-W916 WeakPolarHBondContact CA-O 3.23Å; L876-W916 HydrophobicContact CB-CB 4.35Å; L876-W916 HydrophobicContact CB-CE3 4.28Å; L876-W916 PolarHBondContact N-O 2.92Å; L876-W916 PolarHBondContact O-N 3.22Å; V878-W916 HydrophobicContact CG2-CE3 3.98Å; V878-W916 HydrophobicContact CG2-CH2 3.74Å; V878-W916 HydrophobicContact CG2-CZ2 4.34Å; V878-W916 HydrophobicContact CG2-CZ3 3.55Å; V890-W916 HydrophobicContact CG1-CH2 3.81Å; V890-W916 HydrophobicContact CG1-CZ2 3.9Å; A892-W916 HydrophobicContact CB-CD2 4.2Å; A892-W916 HydrophobicContact CB-CE3 4.17Å; A892-W916 HydrophobicContact CB-CH2 3.74Å; A892-W916 HydrophobicContact CB-CZ2 3.77Å; A892-W916 HydrophobicContact CB-CZ3 3.94Å; V895-W916 HydrophobicContact CB-CB 4Å; V895-W916 HydrophobicContact CB-CG 4.34Å; V895-W916 HydrophobicContact CG1-CB 4.23Å; V895-W916 HydrophobicContact CG2-CB 3.99Å; V895-W916 HydrophobicContact CG2-CD2 4.28Å; V895-W916 HydrophobicContact CG2-CG 3.8Å; E897-W916 PolarHBondContact OE1-NE1 2.92Å; W916-Y936 HydrophobicContact CH2-CG 4.46Å
917	N	91.7	Very high	93.4	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.107	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.7	170.3	-52.8	-83.4	0	0	0	108.4	Y783 L896 S898 P919	Y783-N917 HydrophobicContact CE1-CB 3.88Å; Y783-N917 HydrophobicContact CE2-CB 4.2Å; L896-N917 HydrophobicContact CB-CB 4.43Å; L896-N917 PolarHBondContact N-O 2.72Å; L896-N917 VanDerWaalsContact N-O 3.12Å; L896-N917 WeakPolarHBondContact O-CB 3.32Å; L896-N917 PolarHBondContact O-N 2.81Å; L896-N917 PolarHBondContact O-ND2 3.18Å; L896-N917 VanDerWaalsContact O-ND2 3.1Å; S898-N917 PolarHBondContact OG-ND2 3Å; N917-P919 WeakPolarHBondContact O-CD 3.37Å
918	I	93	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.			trans	-107.9	81.2	178.1	-48.6	-54.3	0	0	0	109.6	E871 G873 D874 L876 V895 I956	E871-I918 WeakPolarHBondContact O-CG2 3.32Å; G873-I918 PolarHBondContact N-O 3.14Å; D874-I918 PolarHBondContact O-N 2.64Å; L876-I918 HydrophobicContact CD1-CD1 3.87Å; L876-I918 HydrophobicContact CD1-CG1 4.22Å; L876-I918 HydrophobicContact CG-CD1 4.01Å; L876-I918 HydrophobicContact CG-CG1 3.96Å; V895-I918 HydrophobicContact CB-CD1 4.31Å; V895-I918 HydrophobicContact CG1-CD1 3.71Å; I918-I956 HydrophobicContact CD1-CD1 3.66Å; I918-I956 HydrophobicContact CG1-CD1 4.01Å; I918-I956 HydrophobicContact CG2-CD1 3.97Å; I918-I956 HydrophobicContact CG2-CG1 4.36Å; I918-I956 HydrophobicContact CG2-CG2 3.5Å
919	P	91.8	Very high	93	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.032	21%	0.212	C	C	.	.			trans	-68	170.6	169.8	32	-38	0	0	0	111.2	L896 N917 R921 S922	L896-P919 HydrophobicContact CB-CG 3.93Å; L896-P919 HydrophobicContact CD2-CG 4.25Å; N917-P919 WeakPolarHBondContact O-CD 3.37Å; P919-R921 HydrophobicContact CB-CG 4.41Å; P919-R921 HydrophobicContact CG-CG 4.02Å; P919-R921 PolarHBondContact O-N 3.26Å; P919-S922 WeakPolarHBondContact CD-OG 3.39Å; P919-S922 WeakPolarHBondContact CG-OG 3.34Å; P919-S922 WeakPolarHBondContact O-CB 3.43Å; P919-S922 PolarHBondContact O-N 3.07Å
920	E	91.2	Very high	93	Very high	140 Å²	140	35.5 Å²	35.5	65%	0.654	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-57.1	-31.6	178.4	-170.3	169.4	-179.4	0	0	113.1	V872 S922 G923	V872-E920 HydrophobicContact CG1-CB 4.18Å; E920-S922 VanDerWaalsContact C-N 3.28Å; E920-S922 PolarHBondContact O-N 3.3Å; E920-G923 PolarHBondContact O-N 3.32Å
921	R	91.3	Very high	93	Very high	23 Å²	23	31.6 Å²	31.6	9%	0.087	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-72.5	-14.3	174.7	65.9	70.3	161.5	-170.2	-11.5	114.9	G716 T718 R725 D744 G894 V895 P919	G716-R921 PolarHBondContact O-NH2 3.13Å; T718-R921 PolarHBondContact OG1-O 3.37Å; R725-R921 WeakPolarHBondContact CD-O 3.23Å; R725-R921 PolarHBondContact NE-O 3.06Å; D744-R921 IonicContact OD1-CZ 2.84Å; D744-R921 IonicContact OD1-NE 3.73Å; D744-R921 PolarHBondContact OD1-NE 3.45Å; D744-R921 VanDerWaalsContact OD1-NE 3.12Å; D744-R921 IonicContact OD1-NH2 3.21Å; D744-R921 PolarHBondContact OD1-NH2 2.96Å; D744-R921 VanDerWaalsContact OD2-CG 3.28Å; D744-R921 WeakPolarHBondContact OD2-CG 3.46Å; D744-R921 IonicContact OD2-CZ 3.54Å; D744-R921 IonicContact OD2-NE 3.6Å; D744-R921 PolarHBondContact OD2-NE 3.18Å; D744-R921 IonicContact OD2-NH2 3.64Å; G894-R921 PolarHBondContact O-NH1 2.91Å; V895-R921 PolarHBondContact O-NH1 2.87Å; P919-R921 HydrophobicContact CB-CG 4.41Å; P919-R921 HydrophobicContact CG-CG 4.02Å; P919-R921 PolarHBondContact O-N 3.26Å
922	S	93.6	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-89.5	-7.5	175.4	-60.2	0	0	0	0	113.3	G894 V895 P919 E920 W934 I956	G894-S922 VanDerWaalsContact O-CB 3.27Å; G894-S922 WeakPolarHBondContact O-CB 3.22Å; G894-S922 PolarHBondContact O-OG 3.26Å; V895-S922 WeakPolarHBondContact CA-OG 3.19Å; P919-S922 WeakPolarHBondContact CD-OG 3.39Å; P919-S922 WeakPolarHBondContact CG-OG 3.34Å; P919-S922 WeakPolarHBondContact O-CB 3.43Å; P919-S922 PolarHBondContact O-N 3.07Å; E920-S922 VanDerWaalsContact C-N 3.28Å; E920-S922 PolarHBondContact O-N 3.3Å; S922-W934 PolarHBondContact O-NE1 2.84Å; S922-I956 WeakPolarHBondContact O-CB 3.46Å; S922-I956 WeakPolarHBondContact O-CG2 3.49Å
923	G	93.8	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-113.5	-175.7	178.3	0	0	0	0	0	113.9	R725 E920 G925	R725-G923 WeakPolarHBondContact CG-O 3.24Å; E920-G923 PolarHBondContact O-N 3.32Å; G923-G925 PolarHBondContact O-N 3.32Å
924	P	94.9	Very high	93.1	Very high	16 Å²	16	23.8 Å²	23.8	10%	0.104	13%	0.128	C	C	.	.			trans	-62.6	126.9	-172.8	-22	34.1	0	0	0	112.1	D928 S929 V932 I956 R958	P924-D928 HydrophobicContact CB-CB 3.85Å; P924-S929 WeakPolarHBondContact CB-O 3.43Å; P924-V932 HydrophobicContact CB-CG1 3.96Å; P924-V932 HydrophobicContact CG-CB 4.44Å; P924-V932 HydrophobicContact CG-CG1 4.03Å; P924-V932 HydrophobicContact CG-CG2 4.08Å; P924-I956 WeakPolarHBondContact CD-O 3.41Å; P924-R958 HydrophobicContact CB-CG 3.88Å; P924-R958 HydrophobicContact CG-CG 3.82Å
925	G	93.2	Very high	93.2	Very high	8 Å²	8	23 Å²	23	8%	0.082	12%	0.124	C	C	.	.			trans	-67.7	-177.4	169.1	0	0	0	0	0	112.5	G923 N927 D928 R958	G923-G925 PolarHBondContact O-N 3.32Å; G925-N927 VanDerWaalsContact C-N 3.28Å; G925-N927 PolarHBondContact O-N 3.34Å; G925-D928 VanDerWaalsContact CA-OD2 3.31Å; G925-D928 WeakPolarHBondContact CA-OD2 3.4Å; G925-D928 PolarHBondContact N-OD2 3.4Å; G925-R958 PolarHBondContact O-NH2 3.36Å
926	P	91.4	Very high	93.4	Very high	97 Å²	97	18.4 Å²	18.4	63%	0.63	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.1	-179.4	22.2	-34.8	0	0	0	114.4	G723	G723-P926 VanDerWaalsContact O-CD 3.24Å; G723-P926 WeakPolarHBondContact O-CD 3.48Å; G723-P926 WeakPolarHBondContact O-CG 3.28Å
927	N	91.9	Very high	93.5	Very high	42 Å²	42	19 Å²	19	23%	0.225	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.9	-171.3	-78.8	30.3	0	0	0	114.7	Q722 M724 G925 N1067 G1068	Q722-N927 PolarHBondContact O-ND2 2.85Å; M724-N927 HydrophobicContact CG-CB 3.81Å; G925-N927 VanDerWaalsContact C-N 3.28Å; G925-N927 PolarHBondContact O-N 3.34Å; N927-N1067 PolarHBondContact ND2-OD1 3.01Å; N927-N1067 VanDerWaalsContact ND2-OD1 3.14Å; N927-G1068 VanDerWaalsContact CB-N 3.29Å; N927-G1068 PolarHBondContact O-N 3.35Å
928	D	93.2	Very high	93.6	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	-80.8	168.4	-173.2	-60.6	-55.9	0	0	0	114.2	M724 R725 P924 G925 V932 R958	M724-D928 VanDerWaalsContact CA-OD1 3.26Å; M724-D928 WeakPolarHBondContact CA-OD1 3.47Å; M724-D928 WeakPolarHBondContact CB-OD1 3.4Å; M724-D928 VanDerWaalsContact CE-OD1 3.29Å; M724-D928 WeakPolarHBondContact CE-OD1 3.33Å; R725-D928 WeakPolarHBondContact CB-OD2 3.38Å; R725-D928 PolarHBondContact N-OD1 3.16Å; R725-D928 PolarHBondContact N-OD2 2.6Å; P924-D928 HydrophobicContact CB-CB 3.85Å; G925-D928 VanDerWaalsContact CA-OD2 3.31Å; G925-D928 WeakPolarHBondContact CA-OD2 3.4Å; G925-D928 PolarHBondContact N-OD2 3.4Å; D928-V932 HydrophobicContact CB-CG1 3.84Å; D928-R958 PolarHBondContact O-NH1 3.22Å; D928-R958 VanDerWaalsContact O-NH1 3.15Å; D928-R958 PolarHBondContact O-NH2 2.86Å
929	S	92.3	Very high	93.5	Very high	7 Å²	7	18.9 Å²	18.9	5%	0.049	11%	0.107	C	C	.	.			trans	-58	172.4	164.6	-58.4	0	0	0	0	112.8	P924 C931 R958 V1085 E1087	P924-S929 WeakPolarHBondContact CB-O 3.43Å; S929-C931 PolarHBondContact O-N 2.88Å; S929-C931 VanDerWaalsContact O-N 3.13Å; S929-R958 PolarHBondContact O-NH1 2.92Å; S929-V1085 PolarHBondContact OG-O 3.15Å; S929-E1087 WeakPolarHBondContact CB-OE1 3.19Å
930	A	93.8	Very high	93.5	Very high	11 Å²	11	22 Å²	22	9%	0.091	13%	0.125	C	C	.	.	S	Bend	trans	-62.8	-21.8	-176.1	0	0	0	0	0	114	R958 I961 D970	A930-R958 PolarHBondContact O-N 2.86Å; A930-I961 HydrophobicContact CB-CD1 4.29Å; A930-I961 HydrophobicContact CB-CG1 4.42Å; A930-I961 HydrophobicContact CB-CG2 4.35Å; A930-D970 WeakPolarHBondContact CB-OD2 3.32Å
931	C	94.9	Very high	93.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.8	170	-45.6	0	0	0	0	110	S929 T955 I956 C957 R968	S929-C931 PolarHBondContact O-N 2.88Å; S929-C931 VanDerWaalsContact O-N 3.13Å; C931-T955 HydrophobicContact CB-CG2 3.53Å; C931-I956 CarbonylContact C-O 3.59Å; C931-I956 VanDerWaalsContact CA-O 3.28Å; C931-I956 WeakPolarHBondContact CA-O 3.14Å; C931-C957 HydrophobicContact CB-CB 3.94Å; C931-C957 WeakPolarHBondContact CB-SG 3.37Å; C931-C957 VanDerWaalsContact SG-CA 3.57Å; C931-C957 WeakPolarHBondContact SG-CB 3.49Å; C931-C957 CovalentContact SG-SG 2.03Å; C931-C957 PolarHBondContact SG-SG 3.44Å; C931-R968 VanDerWaalsContact SG-CD 3.59Å
932	V	95.2	Very high	93.4	Very high	9 Å²	9	17.6 Å²	17.6	6%	0.055	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	154.8	170	-71.1	0	0	0	0	109.6	P924 D928 W934 I956	P924-V932 HydrophobicContact CB-CG1 3.96Å; P924-V932 HydrophobicContact CG-CB 4.44Å; P924-V932 HydrophobicContact CG-CG1 4.03Å; P924-V932 HydrophobicContact CG-CG2 4.08Å; D928-V932 HydrophobicContact CB-CG1 3.84Å; V932-W934 HydrophobicContact CG2-CZ2 4.24Å; V932-I956 HydrophobicContact CG2-CB 4.44Å; V932-I956 PolarHBondContact N-O 2.79Å; V932-I956 PolarHBondContact O-N 2.95Å
933	S	94.9	Very high	93.3	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.2	177.7	-158.8	0	0	0	0	111.4	L1045 F1083	S933-L1045 WeakPolarHBondContact OG-CD2 3.23Å; S933-F1083 WeakPolarHBondContact O-CB 2.91Å
934	W	95.5	Very high	93.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	168.1	171.3	-55.9	117.8	0	0	0	108	T718 R725 H893 S922 V932 L954 F1083	T718-W934 HydrophobicContact CG2-CH2 4.11Å; T718-W934 HydrophobicContact CG2-CZ2 4.3Å; R725-W934 HydrophobicContact CG-CH2 3.8Å; R725-W934 HydrophobicContact CG-CZ2 3.7Å; H893-W934 HydrophobicContact CB-CE3 4.3Å; S922-W934 PolarHBondContact O-NE1 2.84Å; V932-W934 HydrophobicContact CG2-CZ2 4.24Å; W934-L954 HydrophobicContact CB-CB 4.12Å; W934-L954 HydrophobicContact CB-CD2 4.23Å; W934-L954 HydrophobicContact CB-CG 4.25Å; W934-L954 PolarHBondContact N-O 2.91Å; W934-L954 PolarHBondContact O-N 3.26Å; W934-F1083 HydrophobicContact CE3-CD2 4.15Å
935	I	94.8	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	158.6	166.2	65.5	171.8	0	0	0	111.3	A892 H893 Y937 G952 L1045 M1047 F1083	A892-I935 WeakPolarHBondContact CA-O 3.43Å; H893-I935 PolarHBondContact N-O 3.34Å; H893-I935 VanDerWaalsContact ND1-CG1 3.33Å; H893-I935 WeakPolarHBondContact ND1-CG1 3.39Å; I935-Y937 HydrophobicContact CD1-CD1 4.27Å; I935-Y937 HydrophobicContact CG1-CD1 4.33Å; I935-G952 CarbonylContact C-O 3.56Å; I935-G952 WeakPolarHBondContact CA-O 3.38Å; I935-L1045 HydrophobicContact CG2-CD1 4.13Å; I935-L1045 HydrophobicContact CG2-CD2 3.88Å; I935-L1045 HydrophobicContact CG2-CG 4.41Å; I935-M1047 HydrophobicContact CD1-CE 3.57Å; I935-M1047 HydrophobicContact CD1-CG 3.84Å; I935-M1047 HydrophobicContact CD1-SD 3.41Å; I935-M1047 WeakPolarHBondContact CD1-SD 3.36Å; I935-F1083 HydrophobicContact CB-CE1 4.39Å; I935-F1083 HydrophobicContact CB-CZ 4.38Å; I935-F1083 HydrophobicContact CD1-CE1 4Å; I935-F1083 HydrophobicContact CD1-CZ 3.7Å; I935-F1083 HydrophobicContact CG1-CE1 4.03Å; I935-F1083 HydrophobicContact CG1-CE2 4.19Å; I935-F1083 HydrophobicContact CG1-CZ 3.6Å; I935-F1083 HydrophobicContact CG2-CD1 3.9Å; I935-F1083 HydrophobicContact CG2-CE1 3.57Å; I935-F1083 HydrophobicContact CG2-CZ 4.03Å
936	Y	95.6	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.2	161.7	75.6	-93.6	0	0	0	110.2	I791 F840 G865 P866 I868 V890 H891 W916 V951 G952 P953 L954	I791-Y936 HydrophobicContact CD1-CE2 4.49Å; F840-Y936 HydrophobicContact CB-CE2 4.48Å; F840-Y936 HydrophobicContact CD2-CD2 4.22Å; F840-Y936 AromaticContact CD2-CE2 3.54Å; F840-Y936 HydrophobicContact CD2-CE2 3.54Å; F840-Y936 HydrophobicContact CE2-CD2 4Å; F840-Y936 AromaticContact CE2-CE2 3.77Å; F840-Y936 HydrophobicContact CE2-CE2 3.77Å; F840-Y936 AromaticContact CG-CE2 4Å; F840-Y936 HydrophobicContact CG-CE2 4Å; F840-Y936 HydrophobicContact CZ-CE2 4.41Å; G865-Y936 VanDerWaalsContact CA-OH 3.31Å; G865-Y936 WeakPolarHBondContact CA-OH 3.3Å; P866-Y936 WeakPolarHBondContact CD-OH 3.29Å; P866-Y936 WeakPolarHBondContact CG-OH 3.5Å; P866-Y936 PolarHBondContact O-OH 2.13Å; I868-Y936 HydrophobicContact CB-CE1 4.46Å; I868-Y936 HydrophobicContact CD1-CD1 3.63Å; I868-Y936 HydrophobicContact CD1-CD2 4.45Å; I868-Y936 HydrophobicContact CD1-CE1 3.39Å; I868-Y936 HydrophobicContact CD1-CE2 4.24Å; I868-Y936 HydrophobicContact CD1-CG 4.15Å; I868-Y936 HydrophobicContact CG1-CD1 4.19Å; I868-Y936 HydrophobicContact CG1-CE1 3.64Å; V890-Y936 HydrophobicContact CG1-CD2 3.62Å; V890-Y936 HydrophobicContact CG1-CE2 4.16Å; V890-Y936 HydrophobicContact CG1-CG 4.46Å; H891-Y936 CarbonylContact O-C 3.52Å; H891-Y936 WeakPolarHBondContact O-CA 3.49Å; H891-Y936 VanDerWaalsContact O-CB 3.23Å; H891-Y936 WeakPolarHBondContact O-CB 3.26Å; W916-Y936 HydrophobicContact CH2-CG 4.46Å; Y936-V951 CarbonylContact O-C 3.46Å; Y936-V951 WeakPolarHBondContact O-CA 3.38Å; Y936-G952 VanDerWaalsContact CD1-C 3.48Å; Y936-G952 VanDerWaalsContact CD1-O 3.23Å; Y936-G952 WeakPolarHBondContact CD1-O 3.41Å; Y936-G952 VanDerWaalsContact CE1-C 3.44Å; Y936-G952 PolarHBondContact N-O 3.16Å; Y936-G952 PolarHBondContact O-N 2.87Å; Y936-P953 WeakPolarHBondContact CE1-O 3.34Å; Y936-L954 HydrophobicContact CD1-CB 4.37Å
937	Y	94.8	Very high	93.8	Very high	13 Å²	13	15 Å²	15	5%	0.051	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	172.6	-168.9	64.8	-75.4	0	0	0	110.2	H891 H893 I935 A939 P942 L950	H891-Y937 AromaticContact CD2-CZ 3.95Å; H891-Y937 PolarHBondContact N-O 3.32Å; H891-Y937 PolarHBondContact O-N 3.1Å; H893-Y937 AromaticContact CE1-CE1 3.4Å; H893-Y937 WeakPolarHBondContact CE1-CE1 3.15Å; H893-Y937 AromaticContact CE1-CZ 3.95Å; H893-Y937 AromaticContact ND1-CE1 3.71Å; H893-Y937 AromaticContact NE2-CE1 3.93Å; I935-Y937 HydrophobicContact CD1-CD1 4.27Å; I935-Y937 HydrophobicContact CG1-CD1 4.33Å; Y937-A939 HydrophobicContact CE2-CB 4.37Å; Y937-P942 HydrophobicContact CD2-CB 4.45Å; Y937-P942 HydrophobicContact CE2-CB 3.93Å; Y937-P942 HydrophobicContact CE2-CG 4.31Å; Y937-L950 VanDerWaalsContact CA-O 3.28Å; Y937-L950 WeakPolarHBondContact CA-O 3.48Å; Y937-L950 WeakPolarHBondContact CB-O 3.37Å
938	S	95	Very high	94.1	Very high	1 Å²	1	13 Å²	13	1%	0.007	8%	0.075	C	C	.	.			trans	-85.1	129.6	170.3	176.4	0	0	0	0	111	S889 D945 L950	S889-S938 PolarHBondContact N-OG 3.47Å; S889-S938 WeakPolarHBondContact O-CA 3.41Å; S889-S938 WeakPolarHBondContact O-CB 3.5Å; S889-S938 PolarHBondContact OG-OG 2.95Å; S938-D945 WeakPolarHBondContact CB-OD2 3.36Å; S938-D945 PolarHBondContact OG-OD2 2.8Å; S938-L950 PolarHBondContact N-O 3.44Å
939	A	90.7	Very high	94.2	Very high	15 Å²	15	12.8 Å²	12.8	12%	0.124	7%	0.074	C	C	.	.	S	Bend	trans	-98	19.3	179.2	0	0	0	0	0	113.8	S889 H891 P903 Y937	S889-A939 PolarHBondContact OG-N 2.75Å; H891-A939 HydrophobicContact CB-CB 3.87Å; P903-A939 HydrophobicContact CB-CB 4.49Å; P903-A939 HydrophobicContact CG-CB 4.06Å; Y937-A939 HydrophobicContact CE2-CB 4.37Å
940	V	91.7	Very high	94.5	Very high	70 Å²	70	12.5 Å²	12.5	42%	0.424	7%	0.072	S	C	.	.	S	Bend	trans	-78.7	-54.7	175.3	-176.7	0	0	0	0	109.3	A905 D945	A905-V940 HydrophobicContact CB-CG2 3.72Å; V940-D945 WeakPolarHBondContact CB-OD2 3.17Å; V940-D945 PolarHBondContact N-OD2 2.77Å
941	D	91.1	Very high	94.6	Very high	41 Å²	41	12 Å²	12	22%	0.219	7%	0.068	C	C	.	.	S	Bend	trans	-128.2	95.9	160.5	-170.5	-44.2	0	0	0	108.4	I943 K944 D945 W988	D941-I943 PolarHBondContact O-N 2.93Å; D941-I943 PolarHBondContact OD1-N 2.93Å; D941-I943 VanDerWaalsContact OD1-N 3.16Å; D941-K944 HydrophobicContact CB-CB 4.18Å; D941-K944 PolarHBondContact O-N 3.39Å; D941-K944 WeakPolarHBondContact OD1-CG 3.3Å; D941-K944 PolarHBondContact OD1-N 3.4Å; D941-K944 WeakPolarHBondContact OD2-CD 3.33Å; D941-K944 WeakPolarHBondContact OD2-CG 2.93Å; D941-D945 PolarHBondContact N-OD2 2.99Å; D941-D945 WeakPolarHBondContact O-CB 3.21Å; D941-D945 PolarHBondContact O-N 2.87Å; D941-W988 HydrophobicContact CB-CZ2 3.84Å
942	P	90.1	Very high	94.7	Very high	30 Å²	30	12 Å²	12	20%	0.195	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-20.2	-175.2	-30.8	36.8	0	0	0	116.2	Y937 M946	Y937-P942 HydrophobicContact CD2-CB 4.45Å; Y937-P942 HydrophobicContact CE2-CB 3.93Å; Y937-P942 HydrophobicContact CE2-CG 4.31Å; P942-M946 WeakPolarHBondContact O-CB 3.48Å
943	I	91.6	Very high	94.8	Very high	16 Å²	16	11.6 Å²	11.6	8%	0.082	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-55.8	-176.3	-64.9	175	0	0	0	108.6	E760 D941 D945 M946 Y947	E760-I943 HydrophobicContact CG-CD1 3.53Å; E760-I943 WeakPolarHBondContact OE1-CD1 3.49Å; D941-I943 PolarHBondContact O-N 2.93Å; D941-I943 PolarHBondContact OD1-N 2.93Å; D941-I943 VanDerWaalsContact OD1-N 3.16Å; I943-D945 PolarHBondContact O-N 2.62Å; I943-M946 PolarHBondContact O-N 3.33Å; I943-Y947 HydrophobicContact CG2-CD2 3.83Å; I943-Y947 HydrophobicContact CG2-CE2 3.74Å; I943-Y947 WeakPolarHBondContact O-CD2 3.47Å; I943-Y947 PolarHBondContact O-N 3.43Å
944	K	94.4	Very high	94.9	Very high	39 Å²	39	11.4 Å²	11.4	17%	0.17	6%	0.064	C	C	.	.	H	α-helix	trans	-70.8	-34.1	-176.3	-52.6	-172.2	79	55.5	0	112.4	D941 S948 Q986 W988	D941-K944 HydrophobicContact CB-CB 4.18Å; D941-K944 PolarHBondContact O-N 3.39Å; D941-K944 WeakPolarHBondContact OD1-CG 3.3Å; D941-K944 PolarHBondContact OD1-N 3.4Å; D941-K944 WeakPolarHBondContact OD2-CD 3.33Å; D941-K944 WeakPolarHBondContact OD2-CG 2.93Å; K944-S948 WeakPolarHBondContact O-CB 3.12Å; K944-S948 PolarHBondContact O-N 3.47Å; K944-S948 PolarHBondContact O-OG 2.69Å; K944-Q986 WeakPolarHBondContact CB-O 3.32Å; K944-Q986 WeakPolarHBondContact CE-O 3.43Å; K944-Q986 PolarHBondContact NZ-O 3.07Å; K944-W988 HydrophobicContact CB-CD2 4.14Å; K944-W988 HydrophobicContact CB-CG 4.32Å; K944-W988 HydrophobicContact CB-CZ2 4.12Å; K944-W988 HydrophobicContact CD-CH2 4.15Å; K944-W988 HydrophobicContact CD-CZ2 4.16Å; K944-W988 HydrophobicContact CD-CZ3 4.39Å
945	D	95.8	Very high	94.9	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.011	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-38.5	174.3	-59.4	-11.2	0	0	0	111.6	Y888 S938 V940 D941 I943 S948 G949 L950 W988	Y888-D945 HydrophobicContact CD1-CB 4.39Å; Y888-D945 HydrophobicContact CE1-CB 4.18Å; Y888-D945 WeakPolarHBondContact CE1-OD1 3.49Å; S938-D945 WeakPolarHBondContact CB-OD2 3.36Å; S938-D945 PolarHBondContact OG-OD2 2.8Å; V940-D945 WeakPolarHBondContact CB-OD2 3.17Å; V940-D945 PolarHBondContact N-OD2 2.77Å; D941-D945 PolarHBondContact N-OD2 2.99Å; D941-D945 WeakPolarHBondContact O-CB 3.21Å; D941-D945 PolarHBondContact O-N 2.87Å; I943-D945 PolarHBondContact O-N 2.62Å; D945-S948 PolarHBondContact O-N 2.76Å; D945-G949 PolarHBondContact O-N 2.82Å; D945-L950 HydrophobicContact CB-CD1 4.47Å; D945-L950 WeakPolarHBondContact O-CB 3.42Å; D945-L950 PolarHBondContact O-N 3.27Å; D945-W988 PolarHBondContact OD1-NE1 3.45Å
946	M	95.5	Very high	94.9	Very high	9 Å²	9	11.3 Å²	11.3	4%	0.044	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-51	177.6	-179.9	-174.7	76.1	0	0	110.9	P942 I943 S948 G949 V951 L980 M1047	P942-M946 WeakPolarHBondContact O-CB 3.48Å; I943-M946 PolarHBondContact O-N 3.33Å; M946-S948 VanDerWaalsContact C-N 3.26Å; M946-S948 PolarHBondContact O-N 2.97Å; M946-G949 WeakPolarHBondContact O-CA 3.21Å; M946-G949 PolarHBondContact O-N 2.89Å; M946-V951 HydrophobicContact CG-CB 4.5Å; M946-L980 HydrophobicContact CE-CD1 4.14Å; M946-L980 HydrophobicContact CE-CD2 4.41Å; M946-L980 HydrophobicContact CG-CD2 4.28Å; M946-L980 HydrophobicContact SD-CD2 4.45Å; M946-M1047 HydrophobicContact SD-CB 3.87Å; M946-M1047 HydrophobicContact SD-CE 3.5Å; M946-M1047 VanDerWaalsContact SD-CE 3.5Å; M946-M1047 HydrophobicContact SD-CG 4.33Å
947	Y	97.1	Very high	94.9	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-32.6	177.3	-74.5	-57.2	0	0	0	112.4	K837 I943 G949 L980 I981 D983 Q986 G1048 Q1049	K837-Y947 PolarHBondContact NZ-O 3.07Å; I943-Y947 HydrophobicContact CG2-CD2 3.83Å; I943-Y947 HydrophobicContact CG2-CE2 3.74Å; I943-Y947 WeakPolarHBondContact O-CD2 3.47Å; I943-Y947 PolarHBondContact O-N 3.43Å; Y947-G949 PolarHBondContact O-N 2.72Å; Y947-L980 HydrophobicContact CE1-CD1 3.84Å; Y947-I981 VanDerWaalsContact CE1-O 3.26Å; Y947-I981 WeakPolarHBondContact CE1-O 3.48Å; Y947-D983 HydrophobicContact CD1-CB 4.02Å; Y947-D983 HydrophobicContact CE1-CB 3.96Å; Y947-D983 HydrophobicContact CG-CB 4.41Å; Y947-Q986 HydrophobicContact CD2-CB 3.7Å; Y947-Q986 HydrophobicContact CD2-CG 4.39Å; Y947-Q986 HydrophobicContact CE2-CB 4.42Å; Y947-Q986 HydrophobicContact CG-CB 4.2Å; Y947-G1048 WeakPolarHBondContact OH-CA 3.49Å; Y947-Q1049 WeakPolarHBondContact OH-CG 3.39Å; Y947-Q1049 PolarHBondContact OH-N 3.09Å; Y947-Q1049 PolarHBondContact OH-NE2 3.14Å
948	S	97.4	Very high	94.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.8	169.1	-74.6	0	0	0	0	115.4	K837 A838 K944 D945 M946 S987 W988	K837-S948 CarbonylContact C-O 3.52Å; K837-S948 WeakPolarHBondContact CA-O 3.31Å; K837-S948 VanDerWaalsContact CB-O 3.31Å; K837-S948 WeakPolarHBondContact CB-O 3.31Å; K837-S948 WeakPolarHBondContact CE-O 3.28Å; A838-S948 PolarHBondContact N-O 3.08Å; K944-S948 WeakPolarHBondContact O-CB 3.12Å; K944-S948 PolarHBondContact O-N 3.47Å; K944-S948 PolarHBondContact O-OG 2.69Å; D945-S948 PolarHBondContact O-N 2.76Å; M946-S948 VanDerWaalsContact C-N 3.26Å; M946-S948 PolarHBondContact O-N 2.97Å; S948-S987 WeakPolarHBondContact OG-CA 3.33Å; S948-S987 PolarHBondContact OG-OG 2.85Å; S948-W988 WeakPolarHBondContact OG-CB 3.14Å; S948-W988 PolarHBondContact OG-N 3.46Å
949	G	96.6	Very high	94.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.6	2.3	169.2	0	0	0	0	0	116.5	A838 D945 M946 Y947 V951	A838-G949 CarbonylContact O-C 3.59Å; A838-G949 WeakPolarHBondContact O-CA 3.39Å; D945-G949 PolarHBondContact O-N 2.82Å; M946-G949 WeakPolarHBondContact O-CA 3.21Å; M946-G949 PolarHBondContact O-N 2.89Å; Y947-G949 PolarHBondContact O-N 2.72Å; G949-V951 PolarHBondContact O-N 3.28Å
950	L	97.6	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.			trans	-87.9	72.1	-173.9	-65.5	-179.6	0	0	0	113.3	A793 A838 F840 Y888 Y937 S938 D945	A793-L950 HydrophobicContact CB-CD2 4.02Å; A838-L950 HydrophobicContact CB-CD1 4.29Å; A838-L950 HydrophobicContact CB-CD2 4.09Å; A838-L950 HydrophobicContact CB-CG 4.05Å; A838-L950 WeakPolarHBondContact O-CD2 3.1Å; A838-L950 PolarHBondContact O-N 3.46Å; F840-L950 HydrophobicContact CD1-CD2 3.97Å; F840-L950 HydrophobicContact CD2-CB 4.4Å; F840-L950 HydrophobicContact CD2-CD2 4.26Å; F840-L950 HydrophobicContact CE1-CD2 3.91Å; F840-L950 VanDerWaalsContact CE2-C 3.45Å; F840-L950 HydrophobicContact CE2-CB 3.79Å; F840-L950 HydrophobicContact CE2-CD2 4.22Å; F840-L950 HydrophobicContact CG-CD2 4.14Å; F840-L950 HydrophobicContact CZ-CB 3.91Å; F840-L950 HydrophobicContact CZ-CD2 4.05Å; F840-L950 HydrophobicContact CZ-CG 4.42Å; Y888-L950 HydrophobicContact CD1-CD1 3.39Å; Y888-L950 HydrophobicContact CD2-CD1 3.58Å; Y888-L950 HydrophobicContact CE1-CD1 3.55Å; Y888-L950 HydrophobicContact CE2-CD1 3.71Å; Y888-L950 HydrophobicContact CG-CD1 3.4Å; Y937-L950 VanDerWaalsContact CA-O 3.28Å; Y937-L950 WeakPolarHBondContact CA-O 3.48Å; Y937-L950 WeakPolarHBondContact CB-O 3.37Å; S938-L950 PolarHBondContact N-O 3.44Å; D945-L950 HydrophobicContact CB-CD1 4.47Å; D945-L950 WeakPolarHBondContact O-CB 3.42Å; D945-L950 PolarHBondContact O-N 3.27Å
951	V	97.1	Very high	94.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.3	175.5	55.7	0	0	0	0	111.2	L864 G865 Y936 M946 G949 L978	L864-V951 CarbonylContact C-O 3.55Å; L864-V951 WeakPolarHBondContact CA-O 3.44Å; L864-V951 HydrophobicContact CD2-CG1 4.17Å; L864-V951 HydrophobicContact CD2-CG2 4.49Å; G865-V951 PolarHBondContact N-O 2.57Å; Y936-V951 CarbonylContact O-C 3.46Å; Y936-V951 WeakPolarHBondContact O-CA 3.38Å; M946-V951 HydrophobicContact CG-CB 4.5Å; G949-V951 PolarHBondContact O-N 3.28Å; V951-L978 HydrophobicContact CG1-CD2 3.61Å; V951-L978 HydrophobicContact CG2-CD2 4.14Å
952	G	96.7	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.7	176.9	0	0	0	0	0	114	I935 Y936	I935-G952 CarbonylContact C-O 3.56Å; I935-G952 WeakPolarHBondContact CA-O 3.38Å; Y936-G952 VanDerWaalsContact CD1-C 3.48Å; Y936-G952 VanDerWaalsContact CD1-O 3.23Å; Y936-G952 WeakPolarHBondContact CD1-O 3.41Å; Y936-G952 VanDerWaalsContact CE1-C 3.44Å; Y936-G952 PolarHBondContact N-O 3.16Å; Y936-G952 PolarHBondContact O-N 2.87Å
953	P	96.7	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.6	-177.6	30.9	-30.3	0	0	0	113.3	L861 L864 L867 I868 Y936 A976 L1045	L861-P953 HydrophobicContact CD2-CG 4.28Å; L864-P953 HydrophobicContact CD1-CG 4.35Å; L867-P953 HydrophobicContact CB-CG 4.33Å; L867-P953 HydrophobicContact CD1-CB 3.69Å; L867-P953 HydrophobicContact CD1-CG 3.63Å; I868-P953 PolarHBondContact N-O 3Å; I868-P953 VanDerWaalsContact N-O 3.11Å; Y936-P953 WeakPolarHBondContact CE1-O 3.34Å; P953-A976 HydrophobicContact CB-CB 4.07Å; P953-A976 HydrophobicContact CG-CB 3.96Å; P953-L1045 HydrophobicContact CB-CD1 4.11Å
954	L	96.5	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.8	173.1	168.2	64.1	0	0	0	109.8	I868 L876 A892 V895 W934 Y936 I956	I868-L954 HydrophobicContact CB-CD1 3.83Å; I868-L954 HydrophobicContact CG2-CD1 3.56Å; I868-L954 CarbonylContact O-C 3.59Å; I868-L954 WeakPolarHBondContact O-CA 3.47Å; L876-L954 HydrophobicContact CD1-CD1 3.76Å; A892-L954 HydrophobicContact CB-CD2 3.72Å; V895-L954 HydrophobicContact CG1-CD2 3.61Å; W934-L954 HydrophobicContact CB-CB 4.12Å; W934-L954 HydrophobicContact CB-CD2 4.23Å; W934-L954 HydrophobicContact CB-CG 4.25Å; W934-L954 PolarHBondContact N-O 2.91Å; W934-L954 PolarHBondContact O-N 3.26Å; Y936-L954 HydrophobicContact CD1-CB 4.37Å; L954-I956 HydrophobicContact CD1-CD1 3.97Å; L954-I956 HydrophobicContact CG-CD1 4.34Å; L954-I956 HydrophobicContact CG-CG1 4.4Å
955	T	95.8	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.6	176.3	-53.8	0	0	0	0	111.1	I868 K869 G870 C931 Y1043	I868-T955 PolarHBondContact O-N 2.7Å; K869-T955 WeakPolarHBondContact CA-O 3.39Å; G870-T955 PolarHBondContact N-O 3.26Å; C931-T955 HydrophobicContact CB-CG2 3.53Å; T955-Y1043 HydrophobicContact CG2-CE1 3.8Å; T955-Y1043 HydrophobicContact CG2-CE2 4.36Å
956	I	96	Very high	92.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.7	171.6	-58.5	-61.9	0	0	0	110.6	G870 V872 L876 I918 S922 P924 C931 V932 L954	G870-I956 WeakPolarHBondContact O-CA 3.49Å; V872-I956 HydrophobicContact CG2-CG2 4.43Å; L876-I956 HydrophobicContact CD1-CD1 4.09Å; I918-I956 HydrophobicContact CD1-CD1 3.66Å; I918-I956 HydrophobicContact CG1-CD1 4.01Å; I918-I956 HydrophobicContact CG2-CD1 3.97Å; I918-I956 HydrophobicContact CG2-CG1 4.36Å; I918-I956 HydrophobicContact CG2-CG2 3.5Å; S922-I956 WeakPolarHBondContact O-CB 3.46Å; S922-I956 WeakPolarHBondContact O-CG2 3.49Å; P924-I956 WeakPolarHBondContact CD-O 3.41Å; C931-I956 CarbonylContact C-O 3.59Å; C931-I956 VanDerWaalsContact CA-O 3.28Å; C931-I956 WeakPolarHBondContact CA-O 3.14Å; V932-I956 HydrophobicContact CG2-CB 4.44Å; V932-I956 PolarHBondContact N-O 2.79Å; V932-I956 PolarHBondContact O-N 2.95Å; L954-I956 HydrophobicContact CD1-CD1 3.97Å; L954-I956 HydrophobicContact CG-CD1 4.34Å; L954-I956 HydrophobicContact CG-CG1 4.4Å
957	C	95.5	Very high	91.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	155.7	-177.3	-63.9	0	0	0	0	113.1	G870 E871 V872 C931 I961 L962	G870-C957 PolarHBondContact O-N 3.19Å; E871-C957 WeakPolarHBondContact CA-O 3.38Å; V872-C957 PolarHBondContact N-O 2.67Å; V872-C957 VanDerWaalsContact N-O 3.15Å; C931-C957 HydrophobicContact CB-CB 3.94Å; C931-C957 WeakPolarHBondContact CB-SG 3.37Å; C931-C957 VanDerWaalsContact SG-CA 3.57Å; C931-C957 WeakPolarHBondContact SG-CB 3.49Å; C931-C957 CovalentContact SG-SG 2.03Å; C931-C957 PolarHBondContact SG-SG 3.44Å; C957-I961 HydrophobicContact CB-CB 4.16Å; C957-I961 HydrophobicContact CB-CG2 4.24Å; C957-L962 HydrophobicContact CB-CD1 4.2Å; C957-L962 HydrophobicContact CB-CD2 4.46Å; C957-L962 HydrophobicContact CB-CG 3.88Å
958	R	94.1	Very high	91.4	Very high	74 Å²	74	33.7 Å²	33.7	28%	0.279	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-60.4	149	163.2	-64	-173.1	-178	110.5	2.6	109.4	P924 G925 D928 S929 A930 G960 I961	P924-R958 HydrophobicContact CB-CG 3.88Å; P924-R958 HydrophobicContact CG-CG 3.82Å; G925-R958 PolarHBondContact O-NH2 3.36Å; D928-R958 PolarHBondContact O-NH1 3.22Å; D928-R958 VanDerWaalsContact O-NH1 3.15Å; D928-R958 PolarHBondContact O-NH2 2.86Å; S929-R958 PolarHBondContact O-NH1 2.92Å; A930-R958 PolarHBondContact O-N 2.86Å; R958-G960 PolarHBondContact O-N 3.48Å; R958-I961 HydrophobicContact CB-CG1 4.07Å; R958-I961 WeakPolarHBondContact O-CB 3.47Å; R958-I961 VanDerWaalsContact O-CG1 3.27Å; R958-I961 WeakPolarHBondContact O-CG1 3.49Å; R958-I961 PolarHBondContact O-N 3.38Å
959	K	91.4	Very high	91.1	Very high	115 Å²	115	36.8 Å²	36.8	50%	0.5	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	130.3	-175.2	-176.5	170.2	-173	149.4	0	112.8	E871	E871-K959 WeakPolarHBondContact OE2-CA 3.29Å
960	G	89.9	Confident	90.9	Very high	59 Å²	59	38.3 Å²	38.3	61%	0.608	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	16.4	-175.9	0	0	0	0	0	114.9	E871 R958	E871-G960 WeakPolarHBondContact OE1-CA 3.47Å; E871-G960 PolarHBondContact OE1-N 3.4Å; E871-G960 PolarHBondContact OE2-N 3.1Å; R958-G960 PolarHBondContact O-N 3.48Å
961	I	93.1	Very high	90.7	Very high	35 Å²	35	39.3 Å²	39.3	18%	0.179	22%	0.223	C	C	.	.			trans	-98	-37	175	-64.1	-64.3	0	0	0	111.1	E871 A930 C957 R958 R968 S969 D970	E871-I961 PolarHBondContact OE1-N 2.98Å; A930-I961 HydrophobicContact CB-CD1 4.29Å; A930-I961 HydrophobicContact CB-CG1 4.42Å; A930-I961 HydrophobicContact CB-CG2 4.35Å; C957-I961 HydrophobicContact CB-CB 4.16Å; C957-I961 HydrophobicContact CB-CG2 4.24Å; R958-I961 HydrophobicContact CB-CG1 4.07Å; R958-I961 WeakPolarHBondContact O-CB 3.47Å; R958-I961 VanDerWaalsContact O-CG1 3.27Å; R958-I961 WeakPolarHBondContact O-CG1 3.49Å; R958-I961 PolarHBondContact O-N 3.38Å; I961-R968 HydrophobicContact CG2-CG 4.2Å; I961-S969 WeakPolarHBondContact O-CB 3.46Å; I961-S969 PolarHBondContact O-N 3.02Å; I961-S969 PolarHBondContact O-OG 3.01Å; I961-D970 WeakPolarHBondContact CG2-OD1 3.41Å
962	L	91.4	Very high	90.5	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-85.3	125	179.5	-68.5	178.7	0	0	0	111.5	K869 E871 C957 G967 R968	K869-L962 HydrophobicContact CB-CD1 3.96Å; K869-L962 HydrophobicContact CD-CD2 4.18Å; E871-L962 HydrophobicContact CG-CB 3.93Å; E871-L962 HydrophobicContact CG-CD1 3.93Å; E871-L962 HydrophobicContact CG-CG 4.11Å; E871-L962 PolarHBondContact OE1-N 3.13Å; C957-L962 HydrophobicContact CB-CD1 4.2Å; C957-L962 HydrophobicContact CB-CD2 4.46Å; C957-L962 HydrophobicContact CB-CG 3.88Å; L962-G967 WeakPolarHBondContact CA-O 3.48Å; L962-R968 HydrophobicContact CD2-CG 4.01Å
963	E	86.8	Confident	90.4	Very high	88 Å²	88	45.9 Å²	45.9	41%	0.411	25%	0.254	S	S	.	.			trans	-67	163	172.3	-65.3	-147.1	-162.7	0	0	111.9	H965 G966 G967	E963-H965 PolarHBondContact O-N 2.89Å; E963-H965 IonicContact OE2-NE2 2.86Å; E963-G966 PolarHBondContact O-N 2.9Å; E963-G967 PolarHBondContact N-O 2.71Å
964	P	78.6	Confident	90.3	Very high	134 Å²	134	47 Å²	47	87%	0.87	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.9	-179.8	-27.4	36.5	0	0	0	114.9
965	H	74.5	Confident	90.2	Very high	146 Å²	146	47.1 Å²	47.1	68%	0.676	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	7.7	175.9	70.6	75.9	0	0	0	114.2	E963 G967	E963-H965 PolarHBondContact O-N 2.89Å; E963-H965 IonicContact OE2-NE2 2.86Å; H965-G967 PolarHBondContact ND1-N 2.9Å
966	G	77.8	Confident	90.3	Very high	14 Å²	14	47.1 Å²	47.1	14%	0.144	26%	0.26	C	S	.	.	S	Bend	trans	79.9	10.9	176.4	0	0	0	0	0	116.3	K869 E963	K869-G966 WeakPolarHBondContact CD-O 3.46Å; K869-G966 PolarHBondContact NZ-O 2.88Å; E963-G966 PolarHBondContact O-N 2.9Å
967	G	84.7	Confident	90.4	Very high	16 Å²	16	47.1 Å²	47.1	17%	0.165	26%	0.26	C	S	.	.			trans	-77.3	149.6	164.4	0	0	0	0	0	111.2	L962 E963 H965	L962-G967 WeakPolarHBondContact CA-O 3.48Å; E963-G967 PolarHBondContact N-O 2.71Å; H965-G967 PolarHBondContact ND1-N 2.9Å
968	R	90.8	Very high	90.5	Very high	11 Å²	11	47.1 Å²	47.1	4%	0.042	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-72.5	135.3	164.7	-84.4	176.7	71.1	171.4	-2.6	110.6	C931 I961 L962 D970 M971 E974 A1041 Y1043 E1087	C931-R968 VanDerWaalsContact SG-CD 3.59Å; I961-R968 HydrophobicContact CG2-CG 4.2Å; L962-R968 HydrophobicContact CD2-CG 4.01Å; R968-D970 VanDerWaalsContact C-N 3.34Å; R968-D970 WeakPolarHBondContact CB-OD1 3.43Å; R968-D970 IonicContact CZ-OD1 3.21Å; R968-D970 IonicContact CZ-OD2 2.85Å; R968-D970 IonicContact NE-OD1 3.13Å; R968-D970 PolarHBondContact NE-OD1 3.15Å; R968-D970 IonicContact NE-OD2 3.24Å; R968-D970 IonicContact NH2-OD1 2.76Å; R968-D970 IonicContact NH2-OD2 3.64Å; R968-D970 PolarHBondContact NH2-OD2 2.91Å; R968-M971 HydrophobicContact CB-CB 4.13Å; R968-E974 WeakPolarHBondContact CD-OE1 3.45Å; R968-E974 PolarHBondContact N-OE2 2.83Å; R968-A1041 VanDerWaalsContact NH1-CB 3.26Å; R968-Y1043 WeakPolarHBondContact CD-OH 3.28Å; R968-Y1043 PolarHBondContact NH1-OH 2.77Å; R968-E1087 IonicContact NH2-OE1 3.77Å; R968-E1087 PolarHBondContact NH2-OE1 2.96Å
969	S	90.9	Very high	90.7	Very high	64 Å²	64	43.6 Å²	43.6	45%	0.448	25%	0.247	S	C	.	.	S	Bend	trans	-83.7	-10.8	174	56.6	0	0	0	0	113.5	I961	I961-S969 WeakPolarHBondContact O-CB 3.46Å; I961-S969 PolarHBondContact O-N 3.02Å; I961-S969 PolarHBondContact O-OG 3.01Å
970	D	93.1	Very high	91	Very high	32 Å²	32	38.1 Å²	38.1	17%	0.171	22%	0.223	C	C	.	.	S	Bend	trans	-101.3	-8.5	179.9	72	-50.8	0	0	0	113.9	A930 I961 R968 R1039	A930-D970 WeakPolarHBondContact CB-OD2 3.32Å; I961-D970 WeakPolarHBondContact CG2-OD1 3.41Å; R968-D970 VanDerWaalsContact C-N 3.34Å; R968-D970 WeakPolarHBondContact CB-OD1 3.43Å; R968-D970 IonicContact CZ-OD1 3.21Å; R968-D970 IonicContact CZ-OD2 2.85Å; R968-D970 IonicContact NE-OD1 3.13Å; R968-D970 PolarHBondContact NE-OD1 3.15Å; R968-D970 IonicContact NE-OD2 3.24Å; R968-D970 IonicContact NH2-OD1 2.76Å; R968-D970 IonicContact NH2-OD2 3.64Å; R968-D970 PolarHBondContact NH2-OD2 2.91Å; D970-R1039 PolarHBondContact O-NH1 3.17Å; D970-R1039 PolarHBondContact O-NH2 3.42Å; D970-R1039 VanDerWaalsContact O-NH2 3.15Å
971	M	93.7	Very high	91.4	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.103	20%	0.195	C	C	.	.			trans	-130.5	149.6	-179.1	-68.5	-64.9	167.9	0	0	111.4	R968 R1039 A1041 E1087	R968-M971 HydrophobicContact CB-CB 4.13Å; M971-R1039 HydrophobicContact SD-CB 3.79Å; M971-A1041 HydrophobicContact CG-CB 3.94Å; M971-A1041 HydrophobicContact SD-CB 4.31Å; M971-E1087 HydrophobicContact CE-CB 3.92Å; M971-E1087 HydrophobicContact CE-CG 3.59Å; M971-E1087 WeakPolarHBondContact CE-OE1 3.49Å
972	D	93.5	Very high	91.6	Very high	84 Å²	84	33.9 Å²	33.9	45%	0.449	19%	0.187	S	C	.	.	S	Bend	trans	-92.5	-27.6	179.1	-53.4	-80.4	0	0	0	111.1	E1038 R1039	D972-E1038 HydrophobicContact CB-CB 3.87Å; D972-E1038 HydrophobicContact CB-CG 3.95Å; D972-R1039 WeakPolarHBondContact CA-O 3.49Å; D972-R1039 PolarHBondContact N-O 2.84Å; D972-R1039 IonicContact OD1-NH2 3.99Å; D972-R1039 WeakPolarHBondContact OD2-CB 3.27Å; D972-R1039 IonicContact OD2-CZ 2.88Å; D972-R1039 PolarHBondContact OD2-N 3.12Å; D972-R1039 IonicContact OD2-NE 3.44Å; D972-R1039 PolarHBondContact OD2-NE 3.46Å; D972-R1039 VanDerWaalsContact OD2-NE 3.1Å; D972-R1039 IonicContact OD2-NH2 2.63Å; D972-R1039 PolarHBondContact OD2-NH2 3.07Å
973	R	92.9	Very high	91.9	Very high	55 Å²	55	34.4 Å²	34.4	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.7	169.4	-64.5	-168.9	-170.5	-99.4	-34.8	113.7	F975 T1033 E1038 R1039 V1040 A1041	R973-F975 HydrophobicContact CB-CE2 4.35Å; R973-T1033 WeakPolarHBondContact CD-O 3.49Å; R973-T1033 PolarHBondContact NE-O 3.31Å; R973-T1033 PolarHBondContact NH1-O 2.84Å; R973-E1038 IonicContact CZ-OE1 3.92Å; R973-E1038 IonicContact CZ-OE2 3.62Å; R973-E1038 VanDerWaalsContact NE-CD 3.33Å; R973-E1038 IonicContact NE-OE1 3.7Å; R973-E1038 PolarHBondContact NE-OE1 3.31Å; R973-E1038 IonicContact NE-OE2 2.87Å; R973-E1038 PolarHBondContact NE-OE2 2.74Å; R973-E1038 IonicContact NH2-OE1 2.79Å; R973-E1038 PolarHBondContact NH2-OE1 3.02Å; R973-E1038 IonicContact NH2-OE2 3.94Å; R973-E1038 PolarHBondContact NH2-OE2 3.07Å; R973-R1039 PolarHBondContact N-O 2.83Å; R973-V1040 HydrophobicContact CB-CG1 4.2Å; R973-V1040 HydrophobicContact CB-CG2 4.24Å; R973-V1040 WeakPolarHBondContact O-CA 3.41Å; R973-A1041 PolarHBondContact O-N 3.43Å
974	E	94.4	Very high	92.4	Very high	25 Å²	25	30.2 Å²	30.2	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	125.2	177.7	-66.3	177.6	71.8	0	0	109	H860 K869 R968 A1041 Y1043	H860-E974 PolarHBondContact NE2-O 2.8Å; K869-E974 WeakPolarHBondContact CE-OE1 3.37Å; K869-E974 IonicContact NZ-OE1 3Å; K869-E974 PolarHBondContact NZ-OE1 2.93Å; K869-E974 IonicContact NZ-OE2 3.63Å; K869-E974 PolarHBondContact NZ-OE2 2.79Å; R968-E974 WeakPolarHBondContact CD-OE1 3.45Å; R968-E974 PolarHBondContact N-OE2 2.83Å; E974-A1041 WeakPolarHBondContact CA-O 3.29Å; E974-Y1043 HydrophobicContact CB-CE2 3.97Å; E974-Y1043 HydrophobicContact CG-CE2 4.26Å; E974-Y1043 PolarHBondContact OE1-OH 3.27Å
975	F	96.4	Very high	93.1	Very high	2 Å²	2	25 Å²	25	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.9	172.8	-62.2	-63.6	0	0	0	110	H860 R973 L1032 M1034 V1040 A1041 W1042 Y1043	H860-F975 AromaticContact CE1-CD1 3.77Å; H860-F975 AromaticContact CG-CD1 3.84Å; H860-F975 AromaticContact ND1-CD1 3.63Å; R973-F975 HydrophobicContact CB-CE2 4.35Å; F975-L1032 HydrophobicContact CB-CD2 4.31Å; F975-L1032 HydrophobicContact CD1-CD2 3.68Å; F975-L1032 HydrophobicContact CD2-CD2 4.5Å; F975-L1032 HydrophobicContact CE1-CD2 4.08Å; F975-L1032 HydrophobicContact CG-CD2 3.92Å; F975-M1034 HydrophobicContact CE2-CE 3.77Å; F975-M1034 HydrophobicContact CZ-CE 4.32Å; F975-V1040 HydrophobicContact CD2-CG1 3.45Å; F975-V1040 VanDerWaalsContact CD2-CG1 3.45Å; F975-V1040 HydrophobicContact CE2-CG1 3.62Å; F975-A1041 PolarHBondContact N-O 3.43Å; F975-W1042 HydrophobicContact CB-CD2 4.27Å; F975-W1042 HydrophobicContact CB-CE3 3.61Å; F975-W1042 HydrophobicContact CB-CZ3 3.85Å; F975-W1042 HydrophobicContact CD2-CD2 4.14Å; F975-W1042 AromaticContact CD2-CE3 3.93Å; F975-W1042 HydrophobicContact CD2-CE3 3.93Å; F975-W1042 AromaticContact CD2-CH2 3.71Å; F975-W1042 HydrophobicContact CD2-CH2 3.71Å; F975-W1042 AromaticContact CD2-CZ2 3.92Å; F975-W1042 HydrophobicContact CD2-CZ2 3.92Å; F975-W1042 AromaticContact CD2-CZ3 3.71Å; F975-W1042 HydrophobicContact CD2-CZ3 3.71Å; F975-W1042 HydrophobicContact CE2-CH2 4.17Å; F975-W1042 HydrophobicContact CE2-CZ2 4.3Å; F975-W1042 HydrophobicContact CG-CE3 4.13Å; F975-W1042 HydrophobicContact CG-CH2 4.38Å; F975-W1042 AromaticContact CG-CZ3 3.97Å; F975-W1042 HydrophobicContact CG-CZ3 3.97Å; F975-Y1043 WeakPolarHBondContact O-CD2 3.32Å; F975-Y1043 PolarHBondContact O-N 2.68Å
976	A	97	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.8	174.1	0	0	0	0	0	110	H860 L861 P953 N1022 Y1043	H860-A976 PolarHBondContact CD2-O 3.49Å; L861-A976 HydrophobicContact CD2-CB 4.13Å; P953-A976 HydrophobicContact CB-CB 4.07Å; P953-A976 HydrophobicContact CG-CB 3.96Å; A976-N1022 PolarHBondContact O-ND2 3.41Å; A976-Y1043 WeakPolarHBondContact CA-O 3.29Å; A976-Y1043 HydrophobicContact CB-CD2 4.32Å
977	L	98.1	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.7	179.6	-59.8	-178.3	0	0	0	109.8	F979 I1021 L1029 L1032 W1042 Y1043 M1044 L1045 L1098	L977-F979 HydrophobicContact CB-CD2 4.24Å; L977-F979 HydrophobicContact CB-CE2 3.61Å; L977-F979 HydrophobicContact CB-CZ 4.49Å; L977-F979 HydrophobicContact CD1-CE2 4.04Å; L977-F979 HydrophobicContact CD1-CZ 4.23Å; L977-F979 HydrophobicContact CG-CE2 4.48Å; L977-I1021 HydrophobicContact CB-CG2 4.43Å; L977-I1021 HydrophobicContact CD2-CG2 4.02Å; L977-L1029 HydrophobicContact CD2-CD2 4.05Å; L977-L1032 HydrophobicContact CD2-CD1 4.38Å; L977-L1032 HydrophobicContact CD2-CD2 4.27Å; L977-W1042 HydrophobicContact CD1-CE3 3.96Å; L977-W1042 HydrophobicContact CD1-CZ3 3.96Å; L977-W1042 HydrophobicContact CG-CE3 4.35Å; L977-W1042 HydrophobicContact CG-CZ3 4.49Å; L977-Y1043 PolarHBondContact N-O 3.21Å; L977-M1044 HydrophobicContact CB-SD 4.06Å; L977-M1044 HydrophobicContact CD1-CE 4.33Å; L977-M1044 HydrophobicContact CD1-SD 4.16Å; L977-M1044 HydrophobicContact CG-SD 4.42Å; L977-L1045 PolarHBondContact O-N 3.46Å; L977-L1098 HydrophobicContact CD1-CD1 4.01Å; L977-L1098 HydrophobicContact CD1-CD2 4.03Å
978	L	98.1	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	164.2	172.8	68.4	0	0	0	108.7	L864 V951 L980 F982 N1022 L1045 M1047	L864-L978 HydrophobicContact CD1-CB 4.38Å; L864-L978 HydrophobicContact CD2-CB 3.81Å; L864-L978 HydrophobicContact CD2-CD2 3.68Å; L864-L978 HydrophobicContact CD2-CG 4.4Å; L864-L978 HydrophobicContact CG-CB 4.44Å; V951-L978 HydrophobicContact CG1-CD2 3.61Å; V951-L978 HydrophobicContact CG2-CD2 4.14Å; L978-L980 HydrophobicContact CD1-CB 4.19Å; L978-L980 HydrophobicContact CD2-CB 4.22Å; L978-L980 HydrophobicContact CD2-CD2 4.09Å; L978-L980 HydrophobicContact CG-CB 3.97Å; L978-F982 HydrophobicContact CD2-CZ 4.28Å; L978-N1022 PolarHBondContact N-OD1 2.81Å; L978-N1022 PolarHBondContact O-N 2.85Å; L978-L1045 WeakPolarHBondContact CA-O 3.36Å; L978-L1045 HydrophobicContact CB-CB 4.35Å; L978-L1045 HydrophobicContact CB-CD1 4.46Å; L978-L1045 HydrophobicContact CD1-CB 3.98Å; L978-M1047 HydrophobicContact CD1-CB 4.19Å; L978-M1047 HydrophobicContact CD1-CG 4.27Å
979	F	98.1	Very high	95.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.8	165.8	-66.1	-106.7	0	0	0	106.1	L977 I1021 L1045 H1054 I1056 L1078 L1098 M1110	L977-F979 HydrophobicContact CB-CD2 4.24Å; L977-F979 HydrophobicContact CB-CE2 3.61Å; L977-F979 HydrophobicContact CB-CZ 4.49Å; L977-F979 HydrophobicContact CD1-CE2 4.04Å; L977-F979 HydrophobicContact CD1-CZ 4.23Å; L977-F979 HydrophobicContact CG-CE2 4.48Å; F979-I1021 HydrophobicContact CD1-CD1 4.36Å; F979-I1021 HydrophobicContact CD1-CG1 3.94Å; F979-I1021 HydrophobicContact CE1-CD1 3.51Å; F979-I1021 HydrophobicContact CE1-CG1 3.57Å; F979-I1021 HydrophobicContact CE1-CG2 4.26Å; F979-I1021 HydrophobicContact CE2-CG2 4.25Å; F979-I1021 HydrophobicContact CZ-CD1 3.91Å; F979-I1021 HydrophobicContact CZ-CG1 4.13Å; F979-I1021 HydrophobicContact CZ-CG2 3.98Å; F979-L1045 PolarHBondContact N-O 3.29Å; F979-H1054 HydrophobicContact CB-CB 4.04Å; F979-H1054 WeakPolarHBondContact CB-CD2 3.25Å; F979-H1054 HydrophobicContact CD1-CB 4.48Å; F979-H1054 HydrophobicContact CG-CB 4.46Å; F979-I1056 HydrophobicContact CD1-CD1 4.37Å; F979-I1056 HydrophobicContact CD1-CG1 4.06Å; F979-I1056 HydrophobicContact CD2-CD1 3.43Å; F979-I1056 VanDerWaalsContact CD2-CD1 3.43Å; F979-I1056 HydrophobicContact CD2-CG1 4.03Å; F979-I1056 HydrophobicContact CE1-CD1 4.21Å; F979-I1056 HydrophobicContact CE1-CG1 3.78Å; F979-I1056 HydrophobicContact CE1-CG2 4.1Å; F979-I1056 HydrophobicContact CE2-CD1 3.23Å; F979-I1056 HydrophobicContact CE2-CG1 3.76Å; F979-I1056 HydrophobicContact CE2-CG2 4.17Å; F979-I1056 HydrophobicContact CG-CD1 4.04Å; F979-I1056 HydrophobicContact CG-CG1 4.19Å; F979-I1056 HydrophobicContact CZ-CB 4.24Å; F979-I1056 HydrophobicContact CZ-CD1 3.67Å; F979-I1056 HydrophobicContact CZ-CG1 3.64Å; F979-I1056 HydrophobicContact CZ-CG2 3.55Å; F979-L1078 HydrophobicContact CD2-CD1 4.18Å; F979-L1098 HydrophobicContact CE1-CD2 4.48Å; F979-L1098 HydrophobicContact CZ-CD2 3.79Å; F979-M1110 HydrophobicContact CB-SD 4.34Å; F979-M1110 HydrophobicContact CD1-CG 4Å; F979-M1110 HydrophobicContact CD1-SD 3.81Å
980	L	97.7	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	129.6	-176.3	172.7	62.7	0	0	0	108.7	M946 Y947 L978 F982 A1020 M1047	M946-L980 HydrophobicContact CE-CD1 4.14Å; M946-L980 HydrophobicContact CE-CD2 4.41Å; M946-L980 HydrophobicContact CG-CD2 4.28Å; M946-L980 HydrophobicContact SD-CD2 4.45Å; Y947-L980 HydrophobicContact CE1-CD1 3.84Å; L978-L980 HydrophobicContact CD1-CB 4.19Å; L978-L980 HydrophobicContact CD2-CB 4.22Å; L978-L980 HydrophobicContact CD2-CD2 4.09Å; L978-L980 HydrophobicContact CG-CB 3.97Å; L980-F982 HydrophobicContact CB-CD2 4.26Å; L980-F982 HydrophobicContact CB-CE2 3.98Å; L980-F982 HydrophobicContact CD2-CD1 4.06Å; L980-F982 HydrophobicContact CD2-CD2 4.18Å; L980-F982 HydrophobicContact CD2-CE1 3.72Å; L980-F982 HydrophobicContact CD2-CE2 3.86Å; L980-F982 HydrophobicContact CD2-CG 4.29Å; L980-F982 HydrophobicContact CD2-CZ 3.62Å; L980-F982 HydrophobicContact CG-CD2 4.02Å; L980-F982 HydrophobicContact CG-CE2 4.01Å; L980-F982 HydrophobicContact CG-CG 4.32Å; L980-F982 HydrophobicContact CG-CZ 4.3Å; L980-F982 WeakPolarHBondContact O-CD2 3.29Å; L980-F982 PolarHBondContact O-N 2.67Å; L980-A1020 PolarHBondContact N-O 2.68Å; L980-A1020 PolarHBondContact O-N 2.73Å; L980-M1047 HydrophobicContact CD1-CB 4.45Å; L980-M1047 WeakPolarHBondContact CD1-O 3.37Å
981	I	97.8	Very high	95.9	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	101	166.5	-54.1	169	0	0	0	106.7	Y947 D983 K1017 V1051 D1052 M1110	Y947-I981 VanDerWaalsContact CE1-O 3.26Å; Y947-I981 WeakPolarHBondContact CE1-O 3.48Å; I981-D983 PolarHBondContact O-N 3.49Å; I981-K1017 HydrophobicContact CG2-CB 3.79Å; I981-K1017 HydrophobicContact CG2-CD 4.39Å; I981-K1017 HydrophobicContact CG2-CG 4.42Å; I981-V1051 HydrophobicContact CD1-CB 4.45Å; I981-V1051 HydrophobicContact CD1-CG2 3.94Å; I981-D1052 WeakPolarHBondContact CB-OD1 3.4Å; I981-D1052 WeakPolarHBondContact CG1-OD1 3.35Å; I981-D1052 PolarHBondContact N-OD1 2.86Å; I981-M1110 HydrophobicContact CG1-CE 3.87Å
982	F	97.7	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	92.9	-179.6	-77.5	-96.3	0	0	0	110.3	Y800 I863 L978 L980 E984 M1018 A1020	Y800-F982 HydrophobicContact CE1-CB 4.15Å; Y800-F982 HydrophobicContact CE1-CD2 4.29Å; Y800-F982 HydrophobicContact CE1-CG 4.26Å; Y800-F982 WeakPolarHBondContact OH-CB 3.25Å; I863-F982 HydrophobicContact CD1-CD1 4.47Å; I863-F982 HydrophobicContact CD1-CE1 3.83Å; I863-F982 HydrophobicContact CD1-CZ 4.05Å; I863-F982 HydrophobicContact CG2-CE2 4.36Å; I863-F982 HydrophobicContact CG2-CZ 3.74Å; L978-F982 HydrophobicContact CD2-CZ 4.28Å; L980-F982 HydrophobicContact CB-CD2 4.26Å; L980-F982 HydrophobicContact CB-CE2 3.98Å; L980-F982 HydrophobicContact CD2-CD1 4.06Å; L980-F982 HydrophobicContact CD2-CD2 4.18Å; L980-F982 HydrophobicContact CD2-CE1 3.72Å; L980-F982 HydrophobicContact CD2-CE2 3.86Å; L980-F982 HydrophobicContact CD2-CG 4.29Å; L980-F982 HydrophobicContact CD2-CZ 3.62Å; L980-F982 HydrophobicContact CG-CD2 4.02Å; L980-F982 HydrophobicContact CG-CE2 4.01Å; L980-F982 HydrophobicContact CG-CG 4.32Å; L980-F982 HydrophobicContact CG-CZ 4.3Å; L980-F982 WeakPolarHBondContact O-CD2 3.29Å; L980-F982 PolarHBondContact O-N 2.67Å; F982-E984 PolarHBondContact O-N 2.92Å; F982-M1018 HydrophobicContact CB-CB 4.15Å; F982-M1018 PolarHBondContact N-O 2.82Å; F982-M1018 PolarHBondContact O-N 3.29Å; F982-A1020 HydrophobicContact CD2-CB 3.97Å; F982-A1020 HydrophobicContact CE2-CB 4.32Å
983	D	97	Very high	95.9	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.134	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	93.8	171.9	-179.3	3.1	0	0	0	111	Y947 I981 N985 Q986	Y947-D983 HydrophobicContact CD1-CB 4.02Å; Y947-D983 HydrophobicContact CE1-CB 3.96Å; Y947-D983 HydrophobicContact CG-CB 4.41Å; I981-D983 PolarHBondContact O-N 3.49Å; D983-N985 PolarHBondContact O-N 2.92Å; D983-N985 WeakPolarHBondContact OD1-CA 3.39Å; D983-N985 WeakPolarHBondContact OD1-CB 3.23Å; D983-N985 PolarHBondContact OD1-N 2.95Å; D983-N985 PolarHBondContact OD1-ND2 3.26Å; D983-Q986 PolarHBondContact O-N 2.89Å; D983-Q986 VanDerWaalsContact O-N 3.15Å; D983-Q986 PolarHBondContact OD1-N 2.85Å; D983-Q986 WeakPolarHBondContact OD2-CG 3.47Å
984	E	97	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.9	177.9	-64.5	-81.6	-166.8	0	0	112.6	Y800 Y835 K837 F982 Q986 S987 N1016 M1018	Y800-E984 VanDerWaalsContact CE2-OE1 3.3Å; Y800-E984 WeakPolarHBondContact CE2-OE1 3.33Å; Y800-E984 PolarHBondContact OH-OE1 3.18Å; Y835-E984 WeakPolarHBondContact CB-OE1 3.31Å; Y835-E984 HydrophobicContact CD1-CB 3.77Å; Y835-E984 HydrophobicContact CD1-CG 3.54Å; Y835-E984 HydrophobicContact CD2-CG 4.26Å; Y835-E984 HydrophobicContact CE1-CB 3.65Å; Y835-E984 HydrophobicContact CE1-CG 3.66Å; Y835-E984 HydrophobicContact CE2-CG 4.35Å; Y835-E984 HydrophobicContact CG-CG 3.86Å; K837-E984 WeakPolarHBondContact CD-OE1 3.14Å; K837-E984 WeakPolarHBondContact CE-OE1 3.34Å; K837-E984 IonicContact NZ-OE1 3.46Å; K837-E984 PolarHBondContact NZ-OE1 2.95Å; K837-E984 IonicContact NZ-OE2 2.77Å; K837-E984 PolarHBondContact NZ-OE2 2.81Å; F982-E984 PolarHBondContact O-N 2.92Å; E984-Q986 PolarHBondContact O-N 3.04Å; E984-S987 WeakPolarHBondContact O-CB 3.48Å; E984-S987 PolarHBondContact O-N 2.83Å; E984-S987 VanDerWaalsContact O-N 3.08Å; E984-S987 WeakPolarHBondContact OE2-CB 3.43Å; E984-S987 PolarHBondContact OE2-OG 3Å; E984-N1016 HydrophobicContact CB-CB 4.18Å; E984-N1016 PolarHBondContact N-O 2.94Å; E984-M1018 HydrophobicContact CG-CG 4.31Å
985	N	94.8	Very high	95.6	Very high	26 Å²	26	28 Å²	28	14%	0.139	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.9	171.6	-45.9	-76.6	0	0	0	111.1	D983 L1013 N1016	D983-N985 PolarHBondContact O-N 2.92Å; D983-N985 WeakPolarHBondContact OD1-CA 3.39Å; D983-N985 WeakPolarHBondContact OD1-CB 3.23Å; D983-N985 PolarHBondContact OD1-N 2.95Å; D983-N985 PolarHBondContact OD1-ND2 3.26Å; N985-L1013 HydrophobicContact CB-CD2 4.12Å; N985-L1013 PolarHBondContact ND2-O 3.25Å; N985-L1013 WeakPolarHBondContact OD1-CD2 3.42Å; N985-N1016 WeakPolarHBondContact ND2-CB 3.44Å; N985-N1016 WeakPolarHBondContact OD1-CB 3.34Å; N985-N1016 PolarHBondContact OD1-ND2 3.01Å
986	Q	94.1	Very high	95.3	Very high	54 Å²	54	32.5 Å²	32.5	25%	0.252	17%	0.173	S	C	.	.	S	Bend	trans	-85.6	-9.8	172.4	-66.5	-64.1	-8.1	0	0	113.8	K944 Y947 D983 E984	K944-Q986 WeakPolarHBondContact CB-O 3.32Å; K944-Q986 WeakPolarHBondContact CE-O 3.43Å; K944-Q986 PolarHBondContact NZ-O 3.07Å; Y947-Q986 HydrophobicContact CD2-CB 3.7Å; Y947-Q986 HydrophobicContact CD2-CG 4.39Å; Y947-Q986 HydrophobicContact CE2-CB 4.42Å; Y947-Q986 HydrophobicContact CG-CB 4.2Å; D983-Q986 PolarHBondContact O-N 2.89Å; D983-Q986 VanDerWaalsContact O-N 3.15Å; D983-Q986 PolarHBondContact OD1-N 2.85Å; D983-Q986 WeakPolarHBondContact OD2-CG 3.47Å; E984-Q986 PolarHBondContact O-N 3.04Å
987	S	96	Very high	94.8	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	18%	0.182	C	C	.	.	S	Bend	trans	-67.2	136.5	-179.5	-167	0	0	0	0	111.9	S948 E984 Y989 L990	S948-S987 WeakPolarHBondContact OG-CA 3.33Å; S948-S987 PolarHBondContact OG-OG 2.85Å; E984-S987 WeakPolarHBondContact O-CB 3.48Å; E984-S987 PolarHBondContact O-N 2.83Å; E984-S987 VanDerWaalsContact O-N 3.08Å; E984-S987 WeakPolarHBondContact OE2-CB 3.43Å; E984-S987 PolarHBondContact OE2-OG 3Å; S987-Y989 PolarHBondContact O-N 3.33Å; S987-L990 PolarHBondContact O-N 3.41Å
988	W	96.6	Very high	93.9	Very high	89 Å²	89	35 Å²	35	34%	0.337	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.1	173.3	-80.9	126.8	0	0	0	115.4	R886 D941 K944 D945 S948	R886-W988 VanDerWaalsContact CZ-CB 3.5Å; R886-W988 VanDerWaalsContact NH1-CD2 3.31Å; R886-W988 PolarHBondContact NH2-O 3.44Å; D941-W988 HydrophobicContact CB-CZ2 3.84Å; K944-W988 HydrophobicContact CB-CD2 4.14Å; K944-W988 HydrophobicContact CB-CG 4.32Å; K944-W988 HydrophobicContact CB-CZ2 4.12Å; K944-W988 HydrophobicContact CD-CH2 4.15Å; K944-W988 HydrophobicContact CD-CZ2 4.16Å; K944-W988 HydrophobicContact CD-CZ3 4.39Å; D945-W988 PolarHBondContact OD1-NE1 3.45Å; S948-W988 WeakPolarHBondContact OG-CB 3.14Å; S948-W988 PolarHBondContact OG-N 3.46Å
989	Y	96.6	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	2.7	-175.1	-60.4	-70.1	0	0	0	113.6	E795 K836 A838 Y888 S987 E991 E992 N993	E795-Y989 VanDerWaalsContact CD-OH 3.29Å; E795-Y989 HydrophobicContact CG-CE1 4.33Å; E795-Y989 WeakPolarHBondContact CG-OH 3.46Å; E795-Y989 VanDerWaalsContact OE1-CE1 3.31Å; E795-Y989 WeakPolarHBondContact OE1-CE1 3.5Å; E795-Y989 PolarHBondContact OE1-OH 2.88Å; K836-Y989 HydrophobicContact CB-CG 4.5Å; K836-Y989 HydrophobicContact CD-CD1 3.63Å; K836-Y989 HydrophobicContact CD-CE1 4.12Å; K836-Y989 HydrophobicContact CD-CG 4.25Å; K836-Y989 HydrophobicContact CG-CD1 4.06Å; K836-Y989 HydrophobicContact CG-CG 4.25Å; K836-Y989 VanDerWaalsContact O-CB 3.29Å; K836-Y989 WeakPolarHBondContact O-CB 3.15Å; A838-Y989 HydrophobicContact CB-CE2 3.8Å; Y888-Y989 PolarHBondContact OH-OH 2.93Å; Y888-Y989 VanDerWaalsContact OH-OH 3.1Å; S987-Y989 PolarHBondContact O-N 3.33Å; Y989-E991 PolarHBondContact O-N 2.77Å; Y989-E992 VanDerWaalsContact CD1-OE1 3.3Å; Y989-E992 WeakPolarHBondContact CD1-OE1 3.37Å; Y989-E992 WeakPolarHBondContact O-CB 3.39Å; Y989-E992 PolarHBondContact O-N 3.32Å; Y989-N993 VanDerWaalsContact O-CG 3.23Å; Y989-N993 PolarHBondContact O-N 2.93Å; Y989-N993 PolarHBondContact O-ND2 2.7Å
990	L	94.7	Very high	90.9	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-49	-50.5	-178.1	-177.9	65.8	0	0	0	113.1	S987 E992 N993 V994 F1012	S987-L990 PolarHBondContact O-N 3.41Å; L990-E992 VanDerWaalsContact C-N 3.33Å; L990-E992 PolarHBondContact O-N 3.46Å; L990-N993 PolarHBondContact O-N 3.46Å; L990-N993 VanDerWaalsContact O-N 3.16Å; L990-V994 HydrophobicContact CD1-CG2 4.23Å; L990-V994 HydrophobicContact CG-CG2 4.42Å; L990-V994 VanDerWaalsContact O-CG2 3.31Å; L990-V994 WeakPolarHBondContact O-CG2 3.42Å; L990-V994 PolarHBondContact O-N 2.85Å; L990-F1012 HydrophobicContact CD1-CE1 4.49Å; L990-F1012 HydrophobicContact CD1-CZ 4.32Å
991	E	92.4	Very high	89.3	Confident	167 Å²	167	51.8 Å²	51.8	78%	0.78	28%	0.277	S	S	*	.	H	α-helix	trans	-63	-36.6	179.5	-64.5	-174.8	174.7	0	0	112.8	Y989 A995	Y989-E991 PolarHBondContact O-N 2.77Å; E991-A995 VanDerWaalsContact O-CB 3.31Å; E991-A995 WeakPolarHBondContact O-CB 3.48Å; E991-A995 PolarHBondContact O-N 3.45Å; E991-A995 VanDerWaalsContact O-N 3.1Å
992	E	93.2	Very high	87.1	Confident	80 Å²	80	58 Å²	58	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-37.4	175	-66	-169.7	-109.4	0	0	111.2	K836 Y989 L990 A995 T996	K836-E992 HydrophobicContact CD-CB 4.41Å; K836-E992 IonicContact NZ-OE1 3.92Å; K836-E992 PolarHBondContact NZ-OE1 2.89Å; K836-E992 IonicContact NZ-OE2 2.71Å; K836-E992 PolarHBondContact NZ-OE2 3.3Å; Y989-E992 VanDerWaalsContact CD1-OE1 3.3Å; Y989-E992 WeakPolarHBondContact CD1-OE1 3.37Å; Y989-E992 WeakPolarHBondContact O-CB 3.39Å; Y989-E992 PolarHBondContact O-N 3.32Å; L990-E992 VanDerWaalsContact C-N 3.33Å; L990-E992 PolarHBondContact O-N 3.46Å; E992-A995 PolarHBondContact O-N 3.3Å; E992-T996 VanDerWaalsContact O-CB 3.25Å; E992-T996 WeakPolarHBondContact O-CB 3.37Å; E992-T996 PolarHBondContact O-N 3.35Å; E992-T996 PolarHBondContact O-OG1 2.81Å
993	N	93.9	Very high	85.3	Confident	1 Å²	1	62 Å²	62	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-44.6	179.8	-66.7	-25.4	0	0	0	111.5	L831 Y835 K836 Y989 L990 A995 T996 H997	L831-N993 HydrophobicContact CD1-CB 4.26Å; Y835-N993 HydrophobicContact CD1-CB 4.22Å; K836-N993 WeakPolarHBondContact CB-OD1 3.26Å; K836-N993 PolarHBondContact N-OD1 3.02Å; K836-N993 PolarHBondContact O-ND2 3.15Å; Y989-N993 VanDerWaalsContact O-CG 3.23Å; Y989-N993 PolarHBondContact O-N 2.93Å; Y989-N993 PolarHBondContact O-ND2 2.7Å; L990-N993 PolarHBondContact O-N 3.46Å; L990-N993 VanDerWaalsContact O-N 3.16Å; N993-A995 VanDerWaalsContact C-N 3.31Å; N993-A995 PolarHBondContact O-N 2.86Å; N993-T996 PolarHBondContact O-N 2.94Å; N993-T996 VanDerWaalsContact O-N 3.17Å; N993-H997 PolarHBondContact O-N 3.46Å
994	V	91.4	Very high	83.9	Confident	33 Å²	33	63.8 Å²	63.8	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-41.9	172.2	171.8	0	0	0	0	111	L831 L990 T996 G998 I1005 L1007 F1012	L831-V994 HydrophobicContact CD1-CG2 4.02Å; L831-V994 HydrophobicContact CD2-CG2 4.24Å; L990-V994 HydrophobicContact CD1-CG2 4.23Å; L990-V994 HydrophobicContact CG-CG2 4.42Å; L990-V994 VanDerWaalsContact O-CG2 3.31Å; L990-V994 WeakPolarHBondContact O-CG2 3.42Å; L990-V994 PolarHBondContact O-N 2.85Å; V994-T996 VanDerWaalsContact C-N 3.33Å; V994-T996 PolarHBondContact O-N 3.01Å; V994-G998 VanDerWaalsContact O-CA 3.32Å; V994-G998 WeakPolarHBondContact O-CA 3.43Å; V994-G998 PolarHBondContact O-N 2.7Å; V994-G998 VanDerWaalsContact O-N 3.12Å; V994-I1005 HydrophobicContact CG1-CD1 4.07Å; V994-L1007 HydrophobicContact CG2-CD2 4.04Å; V994-F1012 HydrophobicContact CG2-CE2 4.4Å; V994-F1012 HydrophobicContact CG2-CZ 3.83Å
995	A	88.9	Confident	82.8	Confident	76 Å²	76	65.4 Å²	65.4	63%	0.628	38%	0.381	S	S	*	.	H	α-helix	trans	-72.4	-21.1	177.7	0	0	0	0	0	114.6	E991 E992 N993	E991-A995 VanDerWaalsContact O-CB 3.31Å; E991-A995 WeakPolarHBondContact O-CB 3.48Å; E991-A995 PolarHBondContact O-N 3.45Å; E991-A995 VanDerWaalsContact O-N 3.1Å; E992-A995 PolarHBondContact O-N 3.3Å; N993-A995 VanDerWaalsContact C-N 3.31Å; N993-A995 PolarHBondContact O-N 2.86Å
996	T	89.4	Confident	82.1	Confident	96 Å²	96	68.3 Å²	68.3	59%	0.589	40%	0.397	S	S	*	.	H	α-helix	trans	-99.6	-41.2	-175.2	-57	0	0	0	0	112.9	E992 N993 V994	E992-T996 VanDerWaalsContact O-CB 3.25Å; E992-T996 WeakPolarHBondContact O-CB 3.37Å; E992-T996 PolarHBondContact O-N 3.35Å; E992-T996 PolarHBondContact O-OG1 2.81Å; N993-T996 PolarHBondContact O-N 2.94Å; N993-T996 VanDerWaalsContact O-N 3.17Å; V994-T996 VanDerWaalsContact C-N 3.33Å; V994-T996 PolarHBondContact O-N 3.01Å
997	H	86.6	Confident	81.6	Confident	42 Å²	42	69.3 Å²	69.3	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-111.7	-20.5	-172.8	-55.2	-67.4	0	0	0	113.3	E797 R834 N993	E797-H997 IonicContact OE1-CE1 3Å; R834-H997 PolarHBondContact O-CD2 3.37Å; R834-H997 PolarHBondContact O-NE2 2.84Å; N993-H997 PolarHBondContact O-N 3.46Å
998	G	79.8	Confident	81	Confident	11 Å²	11	76.3 Å²	76.3	11%	0.113	44%	0.435	C	S	.	.	S	Bend	trans	-75.3	175.6	179.8	0	0	0	0	0	114.9	V994	V994-G998 VanDerWaalsContact O-CA 3.32Å; V994-G998 WeakPolarHBondContact O-CA 3.43Å; V994-G998 PolarHBondContact O-N 2.7Å; V994-G998 VanDerWaalsContact O-N 3.12Å
999	S	70.8	Confident	80.6	Confident	61 Å²	61	75.3 Å²	75.3	43%	0.427	44%	0.436	S	S	.	.			trans	-61.5	138.1	179.4	-178.3	0	0	0	0	112.8	D1001 S1004	S999-D1001 VanDerWaalsContact C-N 3.26Å; S999-D1001 PolarHBondContact O-N 3.16Å; S999-S1004 WeakPolarHBondContact CB-OG 3.43Å; S999-S1004 PolarHBondContact OG-OG 2.78Å
1000	Q	63.6	Low	80.2	Confident	172 Å²	172	83.2 Å²	83.2	80%	0.804	47%	0.474	S	S	*	.	S	Bend	trans	-73.7	-11.7	-179.1	-65.6	-88.2	-66.1	0	0	113.7	P1002	Q1000-P1002 WeakPolarHBondContact O-CD 3.37Å
1001	D	64.1	Low	80	Confident	119 Å²	119	85.6 Å²	85.6	64%	0.636	49%	0.489	S	S	*	.	S	Bend	trans	-81.8	115.5	179.7	-86.6	-38.7	0	0	0	111.4	S999 G1003 S1004	S999-D1001 VanDerWaalsContact C-N 3.26Å; S999-D1001 PolarHBondContact O-N 3.16Å; D1001-G1003 PolarHBondContact O-N 3.02Å; D1001-S1004 WeakPolarHBondContact O-CB 3.35Å; D1001-S1004 PolarHBondContact O-N 3.43Å; D1001-S1004 PolarHBondContact O-OG 3.29Å
1002	P	51	Low	80	Confident	135 Å²	135	78 Å²	78	88%	0.877	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	122.8	-173.8	-23	34.7	0	0	0	113.1	Q1000	Q1000-P1002 WeakPolarHBondContact O-CD 3.37Å
1003	G	60.4	Low	80	Confident	83 Å²	83	76.9 Å²	76.9	86%	0.856	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	14.7	-178.9	0	0	0	0	0	114.9	D1001	D1001-G1003 PolarHBondContact O-N 3.02Å
1004	S	66	Low	79.9	Confident	63 Å²	63	79.3 Å²	79.3	44%	0.441	46%	0.461	S	S	.	.			trans	-82.6	-17.9	175.2	55.9	0	0	0	0	115	S999 D1001	S999-S1004 WeakPolarHBondContact CB-OG 3.43Å; S999-S1004 PolarHBondContact OG-OG 2.78Å; D1001-S1004 WeakPolarHBondContact O-CB 3.35Å; D1001-S1004 PolarHBondContact O-N 3.43Å; D1001-S1004 PolarHBondContact O-OG 3.29Å
1005	I	74.9	Confident	80.1	Confident	35 Å²	35	77.8 Å²	77.8	18%	0.179	45%	0.452	C	S	.	.			trans	-106.8	128.1	-179.9	-62.5	173.1	0	0	0	109.7	V994 L1007 F1012	V994-I1005 HydrophobicContact CG1-CD1 4.07Å; I1005-L1007 HydrophobicContact CG2-CD2 4.04Å; I1005-F1012 HydrophobicContact CG2-CD2 3.73Å; I1005-F1012 HydrophobicContact CG2-CE2 3.61Å; I1005-F1012 HydrophobicContact CG2-CG 4.33Å; I1005-F1012 HydrophobicContact CG2-CZ 4.12Å
1006	N	80.3	Confident	80.4	Confident	87 Å²	87	74.1 Å²	74.1	47%	0.465	42%	0.422	S	S	.	.			trans	-101.9	113.9	170.3	172.6	27	0	0	0	109.3	Q1008 D1009	N1006-Q1008 PolarHBondContact O-N 3.05Å; N1006-Q1008 VanDerWaalsContact O-N 3.13Å; N1006-Q1008 PolarHBondContact OD1-N 2.8Å; N1006-D1009 HydrophobicContact CB-CB 4.04Å; N1006-D1009 PolarHBondContact ND2-N 2.79Å; N1006-D1009 WeakPolarHBondContact O-CB 3.2Å; N1006-D1009 PolarHBondContact O-N 3.39Å; N1006-D1009 VanDerWaalsContact O-N 3.16Å
1007	L	83.9	Confident	80.8	Confident	74 Å²	74	72.4 Å²	72.4	39%	0.387	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	1	179.2	-55.7	179.1	0	0	0	113.7	V994 I1005 F1012	V994-L1007 HydrophobicContact CG2-CD2 4.04Å; I1005-L1007 HydrophobicContact CG2-CD2 4.04Å; L1007-F1012 HydrophobicContact CD2-CD1 4.28Å; L1007-F1012 HydrophobicContact CD2-CE1 3.45Å; L1007-F1012 VanDerWaalsContact CD2-CE1 3.45Å; L1007-F1012 HydrophobicContact CD2-CE2 4.5Å; L1007-F1012 HydrophobicContact CD2-CZ 3.59Å
1008	Q	83.1	Confident	81.3	Confident	153 Å²	153	70.4 Å²	70.4	72%	0.715	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	19.7	175	-53.7	-70.8	-100.4	0	0	111	N1006	N1006-Q1008 PolarHBondContact O-N 3.05Å; N1006-Q1008 VanDerWaalsContact O-N 3.13Å; N1006-Q1008 PolarHBondContact OD1-N 2.8Å
1009	D	88.4	Confident	82.1	Confident	67 Å²	67	70 Å²	70	36%	0.358	39%	0.392	S	S	.	.			trans	-86.5	130.8	170.8	-171.2	100.8	0	0	0	109.4	N1006 T1011 F1012 L1013	N1006-D1009 HydrophobicContact CB-CB 4.04Å; N1006-D1009 PolarHBondContact ND2-N 2.79Å; N1006-D1009 WeakPolarHBondContact O-CB 3.2Å; N1006-D1009 PolarHBondContact O-N 3.39Å; N1006-D1009 VanDerWaalsContact O-N 3.16Å; D1009-T1011 VanDerWaalsContact C-N 3.29Å; D1009-T1011 PolarHBondContact O-N 2.97Å; D1009-T1011 WeakPolarHBondContact OD2-CA 3.26Å; D1009-T1011 WeakPolarHBondContact OD2-CB 3.28Å; D1009-T1011 PolarHBondContact OD2-N 3.01Å; D1009-T1011 PolarHBondContact OD2-OG1 2.99Å; D1009-F1012 HydrophobicContact CB-CB 4.03Å; D1009-F1012 WeakPolarHBondContact O-CB 3.34Å; D1009-F1012 PolarHBondContact O-N 2.91Å; D1009-F1012 VanDerWaalsContact O-N 3.15Å; D1009-F1012 PolarHBondContact OD2-N 2.87Å; D1009-L1013 WeakPolarHBondContact O-CG 3.45Å; D1009-L1013 PolarHBondContact O-N 2.63Å
1010	E	87.8	Confident	83.4	Confident	167 Å²	167	67.1 Å²	67.1	78%	0.78	37%	0.372	S	S	*	.	H	α-helix	trans	-62.4	-36.4	-176.5	-69.7	161.4	179	0	0	112	F1012 L1013 E1014	E1010-F1012 VanDerWaalsContact C-N 3.34Å; E1010-F1012 PolarHBondContact O-N 2.91Å; E1010-L1013 PolarHBondContact O-N 3.45Å; E1010-E1014 WeakPolarHBondContact O-CB 3.46Å; E1010-E1014 PolarHBondContact O-N 2.99Å
1011	T	89.8	Confident	85.1	Confident	76 Å²	76	59 Å²	59	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-38	176.9	-40.1	0	0	0	0	111	I822 L830 D1009 S1015	I822-T1011 HydrophobicContact CD1-CG2 3.96Å; I822-T1011 HydrophobicContact CG1-CG2 4.31Å; L830-T1011 HydrophobicContact CD2-CG2 4.39Å; D1009-T1011 VanDerWaalsContact C-N 3.29Å; D1009-T1011 PolarHBondContact O-N 2.97Å; D1009-T1011 WeakPolarHBondContact OD2-CA 3.26Å; D1009-T1011 WeakPolarHBondContact OD2-CB 3.28Å; D1009-T1011 PolarHBondContact OD2-N 3.01Å; D1009-T1011 PolarHBondContact OD2-OG1 2.99Å; T1011-S1015 WeakPolarHBondContact O-CB 3.34Å; T1011-S1015 PolarHBondContact O-N 2.81Å; T1011-S1015 PolarHBondContact O-OG 2.79Å
1012	F	91.9	Very high	86.7	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-46.7	174.3	177.6	-93.8	0	0	0	111.3	L831 L990 V994 I1005 L1007 D1009 E1010 E1014 S1015 N1016	L831-F1012 HydrophobicContact CD1-CE2 4.3Å; L831-F1012 HydrophobicContact CD1-CZ 4.29Å; L831-F1012 HydrophobicContact CD2-CE2 4.31Å; L831-F1012 HydrophobicContact CG-CE2 4.05Å; L990-F1012 HydrophobicContact CD1-CE1 4.49Å; L990-F1012 HydrophobicContact CD1-CZ 4.32Å; V994-F1012 HydrophobicContact CG2-CE2 4.4Å; V994-F1012 HydrophobicContact CG2-CZ 3.83Å; I1005-F1012 HydrophobicContact CG2-CD2 3.73Å; I1005-F1012 HydrophobicContact CG2-CE2 3.61Å; I1005-F1012 HydrophobicContact CG2-CG 4.33Å; I1005-F1012 HydrophobicContact CG2-CZ 4.12Å; L1007-F1012 HydrophobicContact CD2-CD1 4.28Å; L1007-F1012 HydrophobicContact CD2-CE1 3.45Å; L1007-F1012 VanDerWaalsContact CD2-CE1 3.45Å; L1007-F1012 HydrophobicContact CD2-CE2 4.5Å; L1007-F1012 HydrophobicContact CD2-CZ 3.59Å; D1009-F1012 HydrophobicContact CB-CB 4.03Å; D1009-F1012 WeakPolarHBondContact O-CB 3.34Å; D1009-F1012 PolarHBondContact O-N 2.91Å; D1009-F1012 VanDerWaalsContact O-N 3.15Å; D1009-F1012 PolarHBondContact OD2-N 2.87Å; E1010-F1012 VanDerWaalsContact C-N 3.34Å; E1010-F1012 PolarHBondContact O-N 2.91Å; F1012-E1014 VanDerWaalsContact C-N 3.32Å; F1012-E1014 PolarHBondContact O-N 3.22Å; F1012-S1015 PolarHBondContact O-N 2.81Å; F1012-S1015 PolarHBondContact O-OG 2.81Å; F1012-N1016 WeakPolarHBondContact CE1-ND2 3.44Å; F1012-N1016 WeakPolarHBondContact CZ-ND2 3.27Å; F1012-N1016 PolarHBondContact O-N 2.61Å; F1012-N1016 PolarHBondContact O-ND2 2.91Å; F1012-N1016 VanDerWaalsContact O-ND2 3.08Å
1013	L	93.4	Very high	88.9	Confident	56 Å²	56	46.9 Å²	46.9	29%	0.293	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-44.6	177.9	-69.7	172.2	0	0	0	111.2	N985 D1009 E1010 N1016	N985-L1013 HydrophobicContact CB-CD2 4.12Å; N985-L1013 PolarHBondContact ND2-O 3.25Å; N985-L1013 WeakPolarHBondContact OD1-CD2 3.42Å; D1009-L1013 WeakPolarHBondContact O-CG 3.45Å; D1009-L1013 PolarHBondContact O-N 2.63Å; E1010-L1013 PolarHBondContact O-N 3.45Å; L1013-N1016 PolarHBondContact O-N 3.24Å
1014	E	93.3	Very high	90.7	Very high	53 Å²	53	44.3 Å²	44.3	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-41.7	178.3	-165.9	55.7	-128	0	0	112.6	I822 F823 E1010 F1012 N1016 K1017 H1019	I822-E1014 HydrophobicContact CD1-CB 3.96Å; I822-E1014 HydrophobicContact CD1-CG 3.9Å; F823-E1014 WeakPolarHBondContact CD1-O 3.31Å; F823-E1014 HydrophobicContact CE1-CG 4.25Å; F823-E1014 WeakPolarHBondContact CE1-O 3.23Å; E1010-E1014 WeakPolarHBondContact O-CB 3.46Å; E1010-E1014 PolarHBondContact O-N 2.99Å; F1012-E1014 VanDerWaalsContact C-N 3.32Å; F1012-E1014 PolarHBondContact O-N 3.22Å; E1014-N1016 PolarHBondContact O-N 2.64Å; E1014-K1017 WeakPolarHBondContact O-CB 3.34Å; E1014-K1017 PolarHBondContact O-N 3.09Å; E1014-K1017 WeakPolarHBondContact OE1-CD 3.46Å; E1014-K1017 IonicContact OE1-NZ 4Å; E1014-K1017 WeakPolarHBondContact OE2-CE 3.14Å; E1014-K1017 IonicContact OE2-NZ 3.9Å; E1014-K1017 PolarHBondContact OE2-NZ 2.91Å; E1014-H1019 IonicContact OE1-CE1 3.67Å
1015	S	94.2	Very high	92.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-20	177.4	72	0	0	0	0	114.7	I822 Y835 T1011 F1012	I822-S1015 WeakPolarHBondContact O-CA 3.49Å; I822-S1015 WeakPolarHBondContact O-CB 3.31Å; Y835-S1015 PolarHBondContact OH-O 2.65Å; T1011-S1015 WeakPolarHBondContact O-CB 3.34Å; T1011-S1015 PolarHBondContact O-N 2.81Å; T1011-S1015 PolarHBondContact O-OG 2.79Å; F1012-S1015 PolarHBondContact O-N 2.81Å; F1012-S1015 PolarHBondContact O-OG 2.81Å
1016	N	96.1	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.1	-180	-65.7	-35.8	0	0	0	113.2	Y835 E984 N985 F1012 L1013 E1014 M1018	Y835-N1016 PolarHBondContact OH-OD1 2.85Å; Y835-N1016 VanDerWaalsContact OH-OD1 3.07Å; E984-N1016 HydrophobicContact CB-CB 4.18Å; E984-N1016 PolarHBondContact N-O 2.94Å; N985-N1016 WeakPolarHBondContact ND2-CB 3.44Å; N985-N1016 WeakPolarHBondContact OD1-CB 3.34Å; N985-N1016 PolarHBondContact OD1-ND2 3.01Å; F1012-N1016 WeakPolarHBondContact CE1-ND2 3.44Å; F1012-N1016 WeakPolarHBondContact CZ-ND2 3.27Å; F1012-N1016 PolarHBondContact O-N 2.61Å; F1012-N1016 PolarHBondContact O-ND2 2.91Å; F1012-N1016 VanDerWaalsContact O-ND2 3.08Å; L1013-N1016 PolarHBondContact O-N 3.24Å; E1014-N1016 PolarHBondContact O-N 2.64Å; N1016-M1018 PolarHBondContact O-N 2.87Å
1017	K	96.6	Very high	93.8	Very high	60 Å²	60	35.6 Å²	35.6	26%	0.261	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	92.5	173	-67.5	-165.7	-157.8	154.6	0	110.5	F823 I981 E1014 H1019	F823-K1017 WeakPolarHBondContact CD1-O 3.17Å; I981-K1017 HydrophobicContact CG2-CB 3.79Å; I981-K1017 HydrophobicContact CG2-CD 4.39Å; I981-K1017 HydrophobicContact CG2-CG 4.42Å; E1014-K1017 WeakPolarHBondContact O-CB 3.34Å; E1014-K1017 PolarHBondContact O-N 3.09Å; E1014-K1017 WeakPolarHBondContact OE1-CD 3.46Å; E1014-K1017 IonicContact OE1-NZ 4Å; E1014-K1017 WeakPolarHBondContact OE2-CE 3.14Å; E1014-K1017 IonicContact OE2-NZ 3.9Å; E1014-K1017 PolarHBondContact OE2-NZ 2.91Å; K1017-H1019 PolarHBondContact O-N 3.47Å; K1017-H1019 VanDerWaalsContact O-N 3.16Å; K1017-H1019 PolarHBondContact O-ND1 2.89Å
1018	M	97.5	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	90.3	-173.5	-50.5	-55.1	-64.8	0	0	111.3	Y800 F823 L824 Y835 F982 E984 N1016 A1020 L1025	Y800-M1018 HydrophobicContact CD1-CB 3.82Å; Y800-M1018 HydrophobicContact CD1-CG 4.39Å; Y800-M1018 HydrophobicContact CD2-CB 4.24Å; Y800-M1018 HydrophobicContact CD2-CE 3.97Å; Y800-M1018 HydrophobicContact CD2-CG 3.9Å; Y800-M1018 HydrophobicContact CE1-CB 3.64Å; Y800-M1018 HydrophobicContact CE1-CG 4.22Å; Y800-M1018 HydrophobicContact CE2-CB 4.07Å; Y800-M1018 HydrophobicContact CE2-CG 3.7Å; Y800-M1018 HydrophobicContact CG-CB 4.12Å; Y800-M1018 HydrophobicContact CG-CE 3.94Å; Y800-M1018 HydrophobicContact CG-CG 4.24Å; F823-M1018 HydrophobicContact CB-CE 4.24Å; F823-M1018 HydrophobicContact CB-SD 4.37Å; L824-M1018 HydrophobicContact CD2-CE 4.11Å; Y835-M1018 HydrophobicContact CE2-CE 4.36Å; Y835-M1018 HydrophobicContact CE2-CG 4.09Å; Y835-M1018 HydrophobicContact CE2-SD 3.99Å; F982-M1018 HydrophobicContact CB-CB 4.15Å; F982-M1018 PolarHBondContact N-O 2.82Å; F982-M1018 PolarHBondContact O-N 3.29Å; E984-M1018 HydrophobicContact CG-CG 4.31Å; N1016-M1018 PolarHBondContact O-N 2.87Å; M1018-A1020 WeakPolarHBondContact O-CB 3.36Å; M1018-A1020 PolarHBondContact O-N 2.73Å; M1018-L1025 HydrophobicContact CE-CD2 3.93Å
1019	H	97.6	Very high	95.1	Very high	3 Å²	3	26 Å²	26	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	89.8	-177.5	-67.9	81.2	0	0	0	112.8	F823 E1014 K1017 L1025 H1105 A1108 M1110	F823-H1019 AromaticContact CE1-ND1 3.89Å; E1014-H1019 IonicContact OE1-CE1 3.67Å; K1017-H1019 PolarHBondContact O-N 3.47Å; K1017-H1019 VanDerWaalsContact O-N 3.16Å; K1017-H1019 PolarHBondContact O-ND1 2.89Å; H1019-L1025 WeakPolarHBondContact O-CD1 3.48Å; H1019-L1025 WeakPolarHBondContact O-CG 3.21Å; H1019-H1105 AromaticContact CD2-CD2 3.59Å; H1019-H1105 AromaticContact NE2-CD2 3.99Å; H1019-A1108 HydrophobicContact CB-CB 3.57Å; H1019-A1108 WeakPolarHBondContact ND1-CB 3.38Å; H1019-M1110 HydrophobicContact CB-CB 4.47Å; H1019-M1110 HydrophobicContact CB-CE 4.12Å
1020	A	97.9	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.4	-158.9	0	0	0	0	0	116.3	Y800 L980 F982 M1018 L1025	Y800-A1020 HydrophobicContact CD1-CB 4.44Å; L980-A1020 PolarHBondContact N-O 2.68Å; L980-A1020 PolarHBondContact O-N 2.73Å; F982-A1020 HydrophobicContact CD2-CB 3.97Å; F982-A1020 HydrophobicContact CE2-CB 4.32Å; M1018-A1020 WeakPolarHBondContact O-CB 3.36Å; M1018-A1020 PolarHBondContact O-N 2.73Å; A1020-L1025 HydrophobicContact CB-CD1 3.55Å
1021	I	98.5	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.4	162	-48.4	-178.5	0	0	0	107.9	L977 F979 G1023 K1024 L1029 L1098 M1110 T1112	L977-I1021 HydrophobicContact CB-CG2 4.43Å; L977-I1021 HydrophobicContact CD2-CG2 4.02Å; F979-I1021 HydrophobicContact CD1-CD1 4.36Å; F979-I1021 HydrophobicContact CD1-CG1 3.94Å; F979-I1021 HydrophobicContact CE1-CD1 3.51Å; F979-I1021 HydrophobicContact CE1-CG1 3.57Å; F979-I1021 HydrophobicContact CE1-CG2 4.26Å; F979-I1021 HydrophobicContact CE2-CG2 4.25Å; F979-I1021 HydrophobicContact CZ-CD1 3.91Å; F979-I1021 HydrophobicContact CZ-CG1 4.13Å; F979-I1021 HydrophobicContact CZ-CG2 3.98Å; I1021-G1023 PolarHBondContact O-N 2.8Å; I1021-K1024 PolarHBondContact N-O 3.33Å; I1021-K1024 PolarHBondContact O-N 3.41Å; I1021-L1029 HydrophobicContact CB-CD2 4.34Å; I1021-L1029 HydrophobicContact CG2-CD2 3.82Å; I1021-L1098 HydrophobicContact CD1-CD2 4.35Å; I1021-M1110 HydrophobicContact CG1-CG 3.84Å; I1021-T1112 HydrophobicContact CD1-CG2 3.81Å
1022	N	97.9	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	32.7	-175.1	-74	-9.9	0	0	0	114.3	H860 I863 L864 A976 L978 L1029	H860-N1022 PolarHBondContact O-ND2 2.98Å; I863-N1022 WeakPolarHBondContact CG2-O 3.44Å; I863-N1022 PolarHBondContact N-O 2.85Å; L864-N1022 WeakPolarHBondContact CD1-OD1 3.49Å; A976-N1022 PolarHBondContact O-ND2 3.41Å; L978-N1022 PolarHBondContact N-OD1 2.81Å; L978-N1022 PolarHBondContact O-N 2.85Å; N1022-L1029 HydrophobicContact CB-CD1 3.79Å; N1022-L1029 HydrophobicContact CB-CD2 4.07Å
1023	G	97.5	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	25.1	-178.4	0	0	0	0	0	114.4	W798 Y800 I1021	W798-G1023 WeakPolarHBondContact CZ2-O 3.4Å; W798-G1023 PolarHBondContact NE1-O 2.89Å; Y800-G1023 VanDerWaalsContact CD1-O 3.31Å; Y800-G1023 WeakPolarHBondContact CD1-O 3.36Å; I1021-G1023 PolarHBondContact O-N 2.8Å
1024	K	98	Very high	96	Very high	30 Å²	30	17 Å²	17	13%	0.13	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-128.6	147.7	170.9	-62.3	-63.2	174.6	-166.3	0	111.5	W798 D799 Y800 I1021 N1028 L1029	W798-K1024 HydrophobicContact CZ2-CD 4.26Å; W798-K1024 VanDerWaalsContact CZ2-CE 3.42Å; D799-K1024 PolarHBondContact O-NZ 3.18Å; Y800-K1024 WeakPolarHBondContact O-CA 3.43Å; I1021-K1024 PolarHBondContact N-O 3.33Å; I1021-K1024 PolarHBondContact O-N 3.41Å; K1024-N1028 HydrophobicContact CB-CB 4.2Å; K1024-N1028 HydrophobicContact CD-CB 4.22Å; K1024-L1029 HydrophobicContact CB-CB 3.99Å; K1024-L1029 HydrophobicContact CB-CD1 4.24Å; K1024-L1029 HydrophobicContact CG-CB 4.32Å; K1024-L1029 HydrophobicContact CG-CD1 3.87Å
1025	L	96.8	Very high	96	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.			trans	-115	162.6	177.9	-81.1	57.8	0	0	0	110.5	Y800 L824 M1018 H1019 A1020 A1027 N1028 A1108 G1109	Y800-L1025 HydrophobicContact CD1-CD1 4.04Å; Y800-L1025 PolarHBondContact O-N 2.95Å; L824-L1025 HydrophobicContact CD2-CD2 4.18Å; M1018-L1025 HydrophobicContact CE-CD2 3.93Å; H1019-L1025 WeakPolarHBondContact O-CD1 3.48Å; H1019-L1025 WeakPolarHBondContact O-CG 3.21Å; A1020-L1025 HydrophobicContact CB-CD1 3.55Å; L1025-A1027 PolarHBondContact O-N 3.06Å; L1025-N1028 VanDerWaalsContact O-CB 3.28Å; L1025-N1028 WeakPolarHBondContact O-CB 3.19Å; L1025-N1028 PolarHBondContact O-N 3.18Å; L1025-N1028 PolarHBondContact O-ND2 3.24Å; L1025-A1108 WeakPolarHBondContact CD2-O 3.38Å; L1025-G1109 CarbonylContact C-O 3.46Å; L1025-G1109 VanDerWaalsContact CA-O 3.26Å; L1025-G1109 WeakPolarHBondContact CA-O 3.36Å
1026	Y	95.3	Very high	96	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	57.7	168.5	-55	-71.9	0	0	0	113.2	W806 E807 G820 L824 N1028 H1107 A1108 G1109 E1111	W806-Y1026 VanDerWaalsContact CE3-C 3.44Å; E807-Y1026 HydrophobicContact CB-CD1 4.31Å; E807-Y1026 HydrophobicContact CB-CG 4.11Å; E807-Y1026 HydrophobicContact CG-CD1 4.15Å; E807-Y1026 HydrophobicContact CG-CD2 4.43Å; E807-Y1026 HydrophobicContact CG-CE1 4.36Å; E807-Y1026 HydrophobicContact CG-CG 4.2Å; G820-Y1026 WeakPolarHBondContact CA-OH 3.21Å; G820-Y1026 PolarHBondContact N-OH 2.98Å; L824-Y1026 HydrophobicContact CD1-CD2 3.81Å; L824-Y1026 HydrophobicContact CD1-CE2 3.72Å; L824-Y1026 HydrophobicContact CG-CE2 4.37Å; Y1026-N1028 PolarHBondContact O-N 2.82Å; Y1026-N1028 PolarHBondContact O-ND2 3.1Å; Y1026-N1028 VanDerWaalsContact O-ND2 3.12Å; Y1026-H1107 PolarHBondContact OH-O 3.2Å; Y1026-A1108 VanDerWaalsContact OH-C 3.23Å; Y1026-A1108 WeakPolarHBondContact OH-CA 3.23Å; Y1026-A1108 PolarHBondContact OH-O 3.34Å; Y1026-G1109 VanDerWaalsContact CZ-CA 3.5Å; Y1026-G1109 PolarHBondContact N-O 2.84Å; Y1026-E1111 WeakPolarHBondContact CD1-OE1 3.43Å
1027	A	95.1	Very high	95.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	23.7	-178.7	0	0	0	0	0	117.5	W806 L1025 L1029 R1030 E1111 L1113	W806-A1027 HydrophobicContact CD2-CB 3.59Å; W806-A1027 VanDerWaalsContact CE2-CB 3.46Å; W806-A1027 HydrophobicContact CE3-CB 3.85Å; W806-A1027 HydrophobicContact CG-CB 4.17Å; W806-A1027 HydrophobicContact CH2-CB 3.79Å; W806-A1027 HydrophobicContact CZ2-CB 3.58Å; W806-A1027 HydrophobicContact CZ3-CB 3.95Å; L1025-A1027 PolarHBondContact O-N 3.06Å; A1027-L1029 PolarHBondContact O-N 3.2Å; A1027-R1030 PolarHBondContact O-NH1 2.99Å; A1027-R1030 VanDerWaalsContact O-NH1 3.13Å; A1027-E1111 PolarHBondContact N-O 3.28Å; A1027-L1113 HydrophobicContact CB-CD1 4.37Å; A1027-L1113 HydrophobicContact CB-CG 4.04Å
1028	N	96.6	Very high	95.7	Very high	16 Å²	16	21.2 Å²	21.2	9%	0.086	11%	0.113	C	C	.	.			trans	-75.8	-6.5	171.4	-81.6	-100.7	0	0	0	113.7	C801 P802 D803 K1024 L1025 Y1026	C801-N1028 PolarHBondContact SG-ND2 3.48Å; P802-N1028 VanDerWaalsContact CD-OD1 3.29Å; P802-N1028 WeakPolarHBondContact CD-OD1 3.3Å; D803-N1028 PolarHBondContact N-OD1 2.77Å; D803-N1028 PolarHBondContact O-ND2 3.17Å; D803-N1028 PolarHBondContact O-OD1 2.66Å; K1024-N1028 HydrophobicContact CB-CB 4.2Å; K1024-N1028 HydrophobicContact CD-CB 4.22Å; L1025-N1028 VanDerWaalsContact O-CB 3.28Å; L1025-N1028 WeakPolarHBondContact O-CB 3.19Å; L1025-N1028 PolarHBondContact O-N 3.18Å; L1025-N1028 PolarHBondContact O-ND2 3.24Å; Y1026-N1028 PolarHBondContact O-N 2.82Å; Y1026-N1028 PolarHBondContact O-ND2 3.1Å; Y1026-N1028 VanDerWaalsContact O-ND2 3.12Å
1029	L	96.4	Very high	95.6	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.052	13%	0.131	C	C	.	.			trans	-75.5	138.1	170.2	-162.4	65.7	0	0	0	110.3	H860 L977 I1021 N1022 K1024 A1027 L1032	H860-L1029 WeakPolarHBondContact O-CD1 3.48Å; L977-L1029 HydrophobicContact CD2-CD2 4.05Å; I1021-L1029 HydrophobicContact CB-CD2 4.34Å; I1021-L1029 HydrophobicContact CG2-CD2 3.82Å; N1022-L1029 HydrophobicContact CB-CD1 3.79Å; N1022-L1029 HydrophobicContact CB-CD2 4.07Å; K1024-L1029 HydrophobicContact CB-CB 3.99Å; K1024-L1029 HydrophobicContact CB-CD1 4.24Å; K1024-L1029 HydrophobicContact CG-CB 4.32Å; K1024-L1029 HydrophobicContact CG-CD1 3.87Å; A1027-L1029 PolarHBondContact O-N 3.2Å; L1029-L1032 HydrophobicContact CD2-CD1 4.36Å
1030	R	92.6	Very high	95.5	Very high	120 Å²	120	26 Å²	26	45%	0.453	13%	0.131	S	C	.	.			trans	-127.1	173.7	-174.8	-55.2	-60.4	-176.9	-165.1	2.7	110.8	E859 H860 A1027 L1032	E859-R1030 HydrophobicContact CG-CB 4.43Å; E859-R1030 WeakPolarHBondContact OE1-CB 3.41Å; H860-R1030 WeakPolarHBondContact CA-O 3.04Å; H860-R1030 WeakPolarHBondContact CB-O 3.2Å; H860-R1030 PolarHBondContact N-O 2.84Å; A1027-R1030 PolarHBondContact O-NH1 2.99Å; A1027-R1030 VanDerWaalsContact O-NH1 3.13Å; R1030-L1032 PolarHBondContact O-N 3.5Å
1031	G	92.5	Very high	95.4	Very high	11 Å²	11	26 Å²	26	11%	0.113	13%	0.131	C	C	.	.			trans	85.3	-10	175.2	0	0	0	0	0	116.8	T1033	G1031-T1033 PolarHBondContact O-N 3.01Å; G1031-T1033 PolarHBondContact O-OG1 3Å
1032	L	95.8	Very high	95.3	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.131	C	C	.	.			trans	-71.6	72.7	176.4	-63.8	-177.2	0	0	0	112	H860 F975 L977 L1029 R1030 W1042 T1112 F1114 T1115	H860-L1032 HydrophobicContact CB-CD2 3.6Å; H860-L1032 HydrophobicContact CB-CG 4.17Å; F975-L1032 HydrophobicContact CB-CD2 4.31Å; F975-L1032 HydrophobicContact CD1-CD2 3.68Å; F975-L1032 HydrophobicContact CD2-CD2 4.5Å; F975-L1032 HydrophobicContact CE1-CD2 4.08Å; F975-L1032 HydrophobicContact CG-CD2 3.92Å; L977-L1032 HydrophobicContact CD2-CD1 4.38Å; L977-L1032 HydrophobicContact CD2-CD2 4.27Å; L1029-L1032 HydrophobicContact CD2-CD1 4.36Å; R1030-L1032 PolarHBondContact O-N 3.5Å; L1032-W1042 HydrophobicContact CD1-CZ3 4.46Å; L1032-W1042 HydrophobicContact CD2-CH2 4.35Å; L1032-W1042 HydrophobicContact CD2-CZ3 3.89Å; L1032-T1112 HydrophobicContact CD1-CG2 3.84Å; L1032-F1114 HydrophobicContact CB-CB 3.92Å; L1032-F1114 WeakPolarHBondContact O-CA 3.5Å; L1032-T1115 PolarHBondContact O-N 3.49Å
1033	T	95.1	Very high	95.3	Very high	47 Å²	47	26 Å²	26	29%	0.288	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.3	-171.2	54.7	0	0	0	0	112	R973 G1031 T1115 F1117	R973-T1033 WeakPolarHBondContact CD-O 3.49Å; R973-T1033 PolarHBondContact NE-O 3.31Å; R973-T1033 PolarHBondContact NH1-O 2.84Å; G1031-T1033 PolarHBondContact O-N 3.01Å; G1031-T1033 PolarHBondContact O-OG1 3Å; T1033-T1115 WeakPolarHBondContact CA-O 3.34Å; T1033-F1117 HydrophobicContact CG2-CE2 4Å
1034	M	94.6	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	174	-178.5	67.6	-149.9	78.7	0	0	112	F975 E1038 V1040 W1042 M1088 A1090 F1114 T1115 V1116 F1117	F975-M1034 HydrophobicContact CE2-CE 3.77Å; F975-M1034 HydrophobicContact CZ-CE 4.32Å; M1034-E1038 WeakPolarHBondContact CA-OE2 3.24Å; M1034-V1040 HydrophobicContact CB-CG2 4.38Å; M1034-V1040 HydrophobicContact SD-CG2 3.98Å; M1034-W1042 HydrophobicContact CE-CH2 4.01Å; M1034-W1042 HydrophobicContact CE-CZ2 3.83Å; M1034-W1042 HydrophobicContact SD-CZ2 4.4Å; M1034-M1088 HydrophobicContact SD-CE 3.5Å; M1034-M1088 WeakPolarHBondContact SD-CE 3.21Å; M1034-A1090 HydrophobicContact CG-CB 3.85Å; M1034-A1090 HydrophobicContact SD-CB 3.98Å; M1034-F1114 HydrophobicContact CE-CB 4.06Å; M1034-F1114 HydrophobicContact CE-CD2 3.7Å; M1034-F1114 HydrophobicContact CE-CG 4.28Å; M1034-F1114 HydrophobicContact SD-CD2 4.27Å; M1034-T1115 PolarHBondContact N-O 3.22Å; M1034-V1116 HydrophobicContact CG-CB 4.38Å; M1034-V1116 HydrophobicContact CG-CG2 3.83Å; M1034-V1116 WeakPolarHBondContact O-CA 3.37Å; M1034-V1116 HydrophobicContact SD-CG2 4.11Å; M1034-F1117 PolarHBondContact O-N 3.36Å
1035	Y	94.1	Very high	95.2	Very high	48 Å²	48	24.5 Å²	24.5	19%	0.188	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.3	-179.8	-64.4	-85.7	0	0	0	111.4	G1037 E1038 F1117 H1122	Y1035-G1037 PolarHBondContact O-N 3Å; Y1035-G1037 VanDerWaalsContact O-N 3.15Å; Y1035-E1038 PolarHBondContact N-OE2 2.86Å; Y1035-E1038 WeakPolarHBondContact O-CB 3.35Å; Y1035-E1038 PolarHBondContact O-N 3.42Å; Y1035-F1117 WeakPolarHBondContact CA-O 3.09Å; Y1035-F1117 HydrophobicContact CD1-CB 3.49Å; Y1035-F1117 VanDerWaalsContact CD1-CB 3.49Å; Y1035-F1117 HydrophobicContact CD1-CG 4.47Å; Y1035-F1117 HydrophobicContact CE1-CB 3.62Å; Y1035-F1117 HydrophobicContact CE1-CD2 4.27Å; Y1035-F1117 HydrophobicContact CE1-CG 4.21Å; Y1035-F1117 HydrophobicContact CG-CB 4.39Å; Y1035-H1122 HydrophobicContact CD1-CB 3.51Å; Y1035-H1122 AromaticContact CD1-CG 3.8Å; Y1035-H1122 AromaticContact CD1-ND1 3.34Å; Y1035-H1122 VanDerWaalsContact CD1-ND1 3.34Å; Y1035-H1122 WeakPolarHBondContact CD1-ND1 3.4Å; Y1035-H1122 AromaticContact CD2-CE1 3.86Å; Y1035-H1122 AromaticContact CD2-ND1 3.26Å; Y1035-H1122 VanDerWaalsContact CD2-ND1 3.26Å; Y1035-H1122 WeakPolarHBondContact CD2-ND1 3.5Å; Y1035-H1122 HydrophobicContact CE1-CB 3.69Å; Y1035-H1122 AromaticContact CE1-CG 3.94Å; Y1035-H1122 AromaticContact CE1-ND1 3.43Å; Y1035-H1122 WeakPolarHBondContact CE1-ND1 3.42Å; Y1035-H1122 AromaticContact CE2-CE1 3.99Å; Y1035-H1122 AromaticContact CE2-ND1 3.37Å; Y1035-H1122 WeakPolarHBondContact CE2-ND1 3.31Å; Y1035-H1122 HydrophobicContact CG-CB 4.19Å; Y1035-H1122 AromaticContact CG-ND1 3.25Å; Y1035-H1122 AromaticContact CZ-ND1 3.46Å
1036	Q	93.8	Very high	95.1	Very high	75 Å²	75	24.5 Å²	24.5	35%	0.35	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	118.5	178.4	-167.7	-173.5	37.5	0	0	112.2	A1090 S1091 P1093 V1116 F1117	Q1036-A1090 CarbonylContact C-O 3.56Å; Q1036-A1090 WeakPolarHBondContact CA-O 3.15Å; Q1036-S1091 PolarHBondContact NE2-O 2.96Å; Q1036-P1093 HydrophobicContact CB-CG 4.29Å; Q1036-P1093 HydrophobicContact CG-CG 4.21Å; Q1036-V1116 HydrophobicContact CB-CG1 4.39Å; Q1036-F1117 PolarHBondContact N-O 3.16Å
1037	G	92.1	Very high	95.1	Very high	51 Å²	51	24.7 Å²	24.7	53%	0.526	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	-2.8	-178.2	0	0	0	0	0	115.5	Y1035 A1090	Y1035-G1037 PolarHBondContact O-N 3Å; Y1035-G1037 VanDerWaalsContact O-N 3.15Å; G1037-A1090 PolarHBondContact N-O 2.86Å
1038	E	94.6	Very high	95	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.126	13%	0.126	C	C	.	.			trans	-73.5	144.6	169.3	-73.8	177.3	150.7	0	0	111.2	D972 R973 M1034 Y1035 A1090	D972-E1038 HydrophobicContact CB-CB 3.87Å; D972-E1038 HydrophobicContact CB-CG 3.95Å; R973-E1038 IonicContact CZ-OE1 3.92Å; R973-E1038 IonicContact CZ-OE2 3.62Å; R973-E1038 VanDerWaalsContact NE-CD 3.33Å; R973-E1038 IonicContact NE-OE1 3.7Å; R973-E1038 PolarHBondContact NE-OE1 3.31Å; R973-E1038 IonicContact NE-OE2 2.87Å; R973-E1038 PolarHBondContact NE-OE2 2.74Å; R973-E1038 IonicContact NH2-OE1 2.79Å; R973-E1038 PolarHBondContact NH2-OE1 3.02Å; R973-E1038 IonicContact NH2-OE2 3.94Å; R973-E1038 PolarHBondContact NH2-OE2 3.07Å; M1034-E1038 WeakPolarHBondContact CA-OE2 3.24Å; Y1035-E1038 PolarHBondContact N-OE2 2.86Å; Y1035-E1038 WeakPolarHBondContact O-CB 3.35Å; Y1035-E1038 PolarHBondContact O-N 3.42Å; E1038-A1090 PolarHBondContact O-N 2.68Å; E1038-A1090 VanDerWaalsContact O-N 3.1Å
1039	R	94.8	Very high	94.8	Very high	103 Å²	103	25.2 Å²	25.2	39%	0.389	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.6	169.9	-61.5	166.9	-65.7	145.2	12.7	109.7	D970 M971 D972 R973 M1088 V1089	D970-R1039 PolarHBondContact O-NH1 3.17Å; D970-R1039 PolarHBondContact O-NH2 3.42Å; D970-R1039 VanDerWaalsContact O-NH2 3.15Å; M971-R1039 HydrophobicContact SD-CB 3.79Å; D972-R1039 WeakPolarHBondContact CA-O 3.49Å; D972-R1039 PolarHBondContact N-O 2.84Å; D972-R1039 IonicContact OD1-NH2 3.99Å; D972-R1039 WeakPolarHBondContact OD2-CB 3.27Å; D972-R1039 IonicContact OD2-CZ 2.88Å; D972-R1039 PolarHBondContact OD2-N 3.12Å; D972-R1039 IonicContact OD2-NE 3.44Å; D972-R1039 PolarHBondContact OD2-NE 3.46Å; D972-R1039 VanDerWaalsContact OD2-NE 3.1Å; D972-R1039 IonicContact OD2-NH2 2.63Å; D972-R1039 PolarHBondContact OD2-NH2 3.07Å; R973-R1039 PolarHBondContact N-O 2.83Å; R1039-M1088 WeakPolarHBondContact CA-O 3.25Å; R1039-V1089 HydrophobicContact CG-CG2 4.24Å
1040	V	95.7	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.1	-169.6	-173.5	0	0	0	0	108.9	R973 F975 M1034 W1042 M1088	R973-V1040 HydrophobicContact CB-CG1 4.2Å; R973-V1040 HydrophobicContact CB-CG2 4.24Å; R973-V1040 WeakPolarHBondContact O-CA 3.41Å; F975-V1040 HydrophobicContact CD2-CG1 3.45Å; F975-V1040 VanDerWaalsContact CD2-CG1 3.45Å; F975-V1040 HydrophobicContact CE2-CG1 3.62Å; M1034-V1040 HydrophobicContact CB-CG2 4.38Å; M1034-V1040 HydrophobicContact SD-CG2 3.98Å; V1040-W1042 HydrophobicContact CG1-CD2 4.36Å; V1040-W1042 HydrophobicContact CG1-CZ2 4.22Å; V1040-M1088 HydrophobicContact CB-CB 4.45Å; V1040-M1088 PolarHBondContact N-O 3.1Å; V1040-M1088 PolarHBondContact O-N 2.95Å
1041	A	95.8	Very high	94.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.3	167.2	0	0	0	0	0	110.1	R968 M971 R973 E974 F975 Y1043	R968-A1041 VanDerWaalsContact NH1-CB 3.26Å; M971-A1041 HydrophobicContact CG-CB 3.94Å; M971-A1041 HydrophobicContact SD-CB 4.31Å; R973-A1041 PolarHBondContact O-N 3.43Å; E974-A1041 WeakPolarHBondContact CA-O 3.29Å; F975-A1041 PolarHBondContact N-O 3.43Å; A1041-Y1043 HydrophobicContact CB-CE1 4.48Å
1042	W	97.3	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.3	172.6	-57.6	89.3	0	0	0	109.2	F975 L977 L1032 M1034 V1040 M1044 F1058 V1085 V1086 M1088 L1098 F1114	F975-W1042 HydrophobicContact CB-CD2 4.27Å; F975-W1042 HydrophobicContact CB-CE3 3.61Å; F975-W1042 HydrophobicContact CB-CZ3 3.85Å; F975-W1042 HydrophobicContact CD2-CD2 4.14Å; F975-W1042 AromaticContact CD2-CE3 3.93Å; F975-W1042 HydrophobicContact CD2-CE3 3.93Å; F975-W1042 AromaticContact CD2-CH2 3.71Å; F975-W1042 HydrophobicContact CD2-CH2 3.71Å; F975-W1042 AromaticContact CD2-CZ2 3.92Å; F975-W1042 HydrophobicContact CD2-CZ2 3.92Å; F975-W1042 AromaticContact CD2-CZ3 3.71Å; F975-W1042 HydrophobicContact CD2-CZ3 3.71Å; F975-W1042 HydrophobicContact CE2-CH2 4.17Å; F975-W1042 HydrophobicContact CE2-CZ2 4.3Å; F975-W1042 HydrophobicContact CG-CE3 4.13Å; F975-W1042 HydrophobicContact CG-CH2 4.38Å; F975-W1042 AromaticContact CG-CZ3 3.97Å; F975-W1042 HydrophobicContact CG-CZ3 3.97Å; L977-W1042 HydrophobicContact CD1-CE3 3.96Å; L977-W1042 HydrophobicContact CD1-CZ3 3.96Å; L977-W1042 HydrophobicContact CG-CE3 4.35Å; L977-W1042 HydrophobicContact CG-CZ3 4.49Å; L1032-W1042 HydrophobicContact CD1-CZ3 4.46Å; L1032-W1042 HydrophobicContact CD2-CH2 4.35Å; L1032-W1042 HydrophobicContact CD2-CZ3 3.89Å; M1034-W1042 HydrophobicContact CE-CH2 4.01Å; M1034-W1042 HydrophobicContact CE-CZ2 3.83Å; M1034-W1042 HydrophobicContact SD-CZ2 4.4Å; V1040-W1042 HydrophobicContact CG1-CD2 4.36Å; V1040-W1042 HydrophobicContact CG1-CZ2 4.22Å; W1042-M1044 HydrophobicContact CB-CE 4.2Å; W1042-M1044 HydrophobicContact CB-CG 4.35Å; W1042-M1044 HydrophobicContact CB-SD 4.03Å; W1042-F1058 AromaticContact CD2-CE1 3.87Å; W1042-F1058 HydrophobicContact CD2-CE1 3.87Å; W1042-F1058 AromaticContact CD2-CZ 3.82Å; W1042-F1058 HydrophobicContact CD2-CZ 3.82Å; W1042-F1058 AromaticContact CE2-CE1 3.52Å; W1042-F1058 AromaticContact CE2-CZ 3.9Å; W1042-F1058 HydrophobicContact CE3-CE1 4.23Å; W1042-F1058 HydrophobicContact CE3-CZ 4.26Å; W1042-F1058 HydrophobicContact CG-CE1 4.4Å; W1042-F1058 AromaticContact CG-CZ 3.96Å; W1042-F1058 HydrophobicContact CG-CZ 3.96Å; W1042-F1058 HydrophobicContact CH2-CE1 4.02Å; W1042-F1058 AromaticContact CZ2-CE1 3.63Å; W1042-F1058 HydrophobicContact CZ2-CE1 3.63Å; W1042-F1058 HydrophobicContact CZ2-CZ 4.42Å; W1042-F1058 HydrophobicContact CZ3-CE1 4.3Å; W1042-F1058 AromaticContact NE1-CE1 3.84Å; W1042-V1085 WeakPolarHBondContact O-CA 3.34Å; W1042-V1086 HydrophobicContact CB-CG2 3.8Å; W1042-V1086 HydrophobicContact CG-CG2 4.37Å; W1042-V1086 PolarHBondContact N-O 2.91Å; W1042-V1086 PolarHBondContact O-N 3.18Å; W1042-V1086 VanDerWaalsContact O-N 3.11Å; W1042-M1088 HydrophobicContact CZ2-CE 4.03Å; W1042-M1088 HydrophobicContact CZ2-SD 4.41Å; W1042-L1098 HydrophobicContact CH2-CD1 4.1Å; W1042-L1098 HydrophobicContact CZ3-CD1 4.01Å; W1042-F1114 HydrophobicContact CH2-CB 4.41Å
1043	Y	96.9	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.9	172	-53.5	-57.6	0	0	0	108.4	L867 T955 R968 E974 F975 A976 L977 A1041 E1084 V1085	L867-Y1043 HydrophobicContact CD1-CD2 4.46Å; L867-Y1043 HydrophobicContact CD2-CE2 4.35Å; T955-Y1043 HydrophobicContact CG2-CE1 3.8Å; T955-Y1043 HydrophobicContact CG2-CE2 4.36Å; R968-Y1043 WeakPolarHBondContact CD-OH 3.28Å; R968-Y1043 PolarHBondContact NH1-OH 2.77Å; E974-Y1043 HydrophobicContact CB-CE2 3.97Å; E974-Y1043 HydrophobicContact CG-CE2 4.26Å; E974-Y1043 PolarHBondContact OE1-OH 3.27Å; F975-Y1043 WeakPolarHBondContact O-CD2 3.32Å; F975-Y1043 PolarHBondContact O-N 2.68Å; A976-Y1043 WeakPolarHBondContact CA-O 3.29Å; A976-Y1043 HydrophobicContact CB-CD2 4.32Å; L977-Y1043 PolarHBondContact N-O 3.21Å; A1041-Y1043 HydrophobicContact CB-CE1 4.48Å; Y1043-E1084 WeakPolarHBondContact CA-O 3.44Å; Y1043-V1085 HydrophobicContact CD1-CB 4.4Å; Y1043-V1085 HydrophobicContact CD1-CG1 3.86Å; Y1043-V1085 HydrophobicContact CD1-CG2 3.87Å; Y1043-V1085 HydrophobicContact CE1-CG1 3.76Å; Y1043-V1085 HydrophobicContact CE1-CG2 4.26Å
1044	M	96.8	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	-173.5	-59.5	-54.6	-137.2	0	0	109.9	L977 W1042 I1056 F1058 V1076 L1078 F1083 E1084 V1086	L977-M1044 HydrophobicContact CB-SD 4.06Å; L977-M1044 HydrophobicContact CD1-CE 4.33Å; L977-M1044 HydrophobicContact CD1-SD 4.16Å; L977-M1044 HydrophobicContact CG-SD 4.42Å; W1042-M1044 HydrophobicContact CB-CE 4.2Å; W1042-M1044 HydrophobicContact CB-CG 4.35Å; W1042-M1044 HydrophobicContact CB-SD 4.03Å; M1044-I1056 HydrophobicContact CB-CD1 4.49Å; M1044-I1056 HydrophobicContact CE-CD1 4.08Å; M1044-I1056 HydrophobicContact CE-CG2 4.02Å; M1044-I1056 HydrophobicContact SD-CD1 4.27Å; M1044-F1058 HydrophobicContact CE-CE2 3.49Å; M1044-F1058 VanDerWaalsContact CE-CE2 3.49Å; M1044-F1058 HydrophobicContact CE-CZ 3.36Å; M1044-V1076 HydrophobicContact CB-CG1 4.4Å; M1044-V1076 HydrophobicContact CE-CG2 4.43Å; M1044-V1076 HydrophobicContact CG-CG1 4.44Å; M1044-L1078 HydrophobicContact CB-CD1 4.08Å; M1044-L1078 HydrophobicContact CB-CD2 4.02Å; M1044-F1083 CarbonylContact O-C 3.47Å; M1044-F1083 WeakPolarHBondContact O-CA 3.26Å; M1044-E1084 HydrophobicContact CB-CB 4.4Å; M1044-E1084 PolarHBondContact N-O 2.89Å; M1044-E1084 PolarHBondContact O-N 2.79Å; M1044-V1086 HydrophobicContact CG-CG2 4.37Å
1045	L	96.7	Very high	94.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124	-170.1	-50.4	168.6	0	0	0	110.3	S933 I935 P953 L977 L978 F979 F1083	S933-L1045 WeakPolarHBondContact OG-CD2 3.23Å; I935-L1045 HydrophobicContact CG2-CD1 4.13Å; I935-L1045 HydrophobicContact CG2-CD2 3.88Å; I935-L1045 HydrophobicContact CG2-CG 4.41Å; P953-L1045 HydrophobicContact CB-CD1 4.11Å; L977-L1045 PolarHBondContact O-N 3.46Å; L978-L1045 WeakPolarHBondContact CA-O 3.36Å; L978-L1045 HydrophobicContact CB-CB 4.35Å; L978-L1045 HydrophobicContact CB-CD1 4.46Å; L978-L1045 HydrophobicContact CD1-CB 3.98Å; F979-L1045 PolarHBondContact N-O 3.29Å; L1045-F1083 HydrophobicContact CB-CD1 4.41Å; L1045-F1083 HydrophobicContact CD2-CB 4.07Å; L1045-F1083 HydrophobicContact CD2-CD1 3.73Å; L1045-F1083 HydrophobicContact CD2-CG 4.2Å
1046	G	95.6	Very high	94.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.3	171.9	0	0	0	0	0	110.9	F1079 G1081 T1082	G1046-F1079 CarbonylContact C-O 3.58Å; G1046-G1081 PolarHBondContact O-N 3.02Å; G1046-T1082 PolarHBondContact N-O 3.29Å
1047	M	94.2	Very high	94.9	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.025	8%	0.078	C	C	.	.			trans	-151.4	160	178.9	-75.2	-63.4	-71.9	0	0	108.7	Q754 I935 M946 L978 L980 D1052 F1083	Q754-M1047 HydrophobicContact CG-CE 4.44Å; Q754-M1047 HydrophobicContact CG-SD 4.18Å; I935-M1047 HydrophobicContact CD1-CE 3.57Å; I935-M1047 HydrophobicContact CD1-CG 3.84Å; I935-M1047 HydrophobicContact CD1-SD 3.41Å; I935-M1047 WeakPolarHBondContact CD1-SD 3.36Å; M946-M1047 HydrophobicContact SD-CB 3.87Å; M946-M1047 HydrophobicContact SD-CE 3.5Å; M946-M1047 VanDerWaalsContact SD-CE 3.5Å; M946-M1047 HydrophobicContact SD-CG 4.33Å; L978-M1047 HydrophobicContact CD1-CB 4.19Å; L978-M1047 HydrophobicContact CD1-CG 4.27Å; L980-M1047 HydrophobicContact CD1-CB 4.45Å; L980-M1047 WeakPolarHBondContact CD1-O 3.37Å; M1047-D1052 VanDerWaalsContact O-CB 3.25Å; M1047-D1052 WeakPolarHBondContact O-CB 3.48Å; M1047-F1083 HydrophobicContact CG-CE1 4.35Å; M1047-F1083 HydrophobicContact SD-CE1 4.01Å; M1047-F1083 HydrophobicContact SD-CZ 4.04Å
1048	G	92.8	Very high	95.2	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	5%	0.054	C	C	.	.	S	Bend	trans	135.2	-140.4	169.4	0	0	0	0	0	114.5	A755 G756 Y947 D1052	A755-G1048 WeakPolarHBondContact CA-O 3.35Å; G756-G1048 PolarHBondContact N-O 2.92Å; Y947-G1048 WeakPolarHBondContact OH-CA 3.49Å; G1048-D1052 VanDerWaalsContact CA-OD2 3.3Å; G1048-D1052 WeakPolarHBondContact CA-OD2 3.39Å
1049	Q	91.8	Very high	95.3	Very high	26 Å²	26	10.2 Å²	10.2	12%	0.121	5%	0.048	C	C	.	.	S	Bend	trans	-90.8	-175.3	174.6	-50.1	-58.3	2.1	0	0	111.4	Y947 V1051 D1052 P1080	Y947-Q1049 WeakPolarHBondContact OH-CG 3.39Å; Y947-Q1049 PolarHBondContact OH-N 3.09Å; Y947-Q1049 PolarHBondContact OH-NE2 3.14Å; Q1049-V1051 HydrophobicContact CB-CG2 4.03Å; Q1049-V1051 PolarHBondContact O-N 3.3Å; Q1049-D1052 PolarHBondContact N-OD2 3.25Å; Q1049-D1052 PolarHBondContact O-N 2.94Å; Q1049-D1052 VanDerWaalsContact O-N 3.16Å; Q1049-P1080 WeakPolarHBondContact O-CG 3.3Å
1050	D	86.8	Confident	95.2	Very high	30 Å²	30	5.5 Å²	5.5	16%	0.16	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.3	172.3	38.3	-37.3	0	0	0	113.9	T707 S757 H758	T707-D1050 WeakPolarHBondContact CB-OD2 3.46Å; T707-D1050 WeakPolarHBondContact O-CB 3.21Å; S757-D1050 WeakPolarHBondContact CB-OD1 3.42Å; S757-D1050 VanDerWaalsContact OG-CG 3.32Å; S757-D1050 PolarHBondContact OG-OD1 3.04Å; H758-D1050 IonicContact CE1-OD2 3.85Å
1051	V	91.9	Very high	95.1	Very high	41 Å²	41	5.7 Å²	5.7	25%	0.248	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.3	172.3	-64.5	0	0	0	0	114.3	E354 I981 Q1049 L1053 H1105	E354-V1051 WeakPolarHBondContact OE2-CG1 3.44Å; I981-V1051 HydrophobicContact CD1-CB 4.45Å; I981-V1051 HydrophobicContact CD1-CG2 3.94Å; Q1049-V1051 HydrophobicContact CB-CG2 4.03Å; Q1049-V1051 PolarHBondContact O-N 3.3Å; V1051-L1053 PolarHBondContact O-N 3.15Å; V1051-H1105 PolarHBondContact O-CE1 3.31Å
1052	D	95.1	Very high	94.9	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.033	C	C	.	.			trans	-77.9	52.9	-179.2	-70.7	-90.8	0	0	0	112.7	I981 M1047 G1048 Q1049 H1054 P1080	I981-D1052 WeakPolarHBondContact CB-OD1 3.4Å; I981-D1052 WeakPolarHBondContact CG1-OD1 3.35Å; I981-D1052 PolarHBondContact N-OD1 2.86Å; M1047-D1052 VanDerWaalsContact O-CB 3.25Å; M1047-D1052 WeakPolarHBondContact O-CB 3.48Å; G1048-D1052 VanDerWaalsContact CA-OD2 3.3Å; G1048-D1052 WeakPolarHBondContact CA-OD2 3.39Å; Q1049-D1052 PolarHBondContact N-OD2 3.25Å; Q1049-D1052 PolarHBondContact O-N 2.94Å; Q1049-D1052 VanDerWaalsContact O-N 3.16Å; D1052-H1054 IonicContact OD1-CE1 2.67Å; D1052-H1054 IonicContact OD1-NE2 2.78Å; D1052-H1054 PolarHBondContact OD1-NE2 3.49Å; D1052-P1080 HydrophobicContact CB-CG 4.33Å; D1052-P1080 WeakPolarHBondContact O-CD 3.43Å
1053	L	94.8	Very high	94.8	Very high	3 Å²	3	6.1 Å²	6.1	2%	0.016	3%	0.034	C	C	.	.			trans	-96.7	123	167.2	66.8	106	0	0	0	109.5	V357 V709 V1051 L1078 F1079 V1102 H1105	V357-L1053 HydrophobicContact CG2-CD2 3.98Å; V709-L1053 HydrophobicContact CG2-CD2 4.49Å; V1051-L1053 PolarHBondContact O-N 3.15Å; L1053-L1078 CarbonylContact C-O 3.58Å; L1053-L1078 WeakPolarHBondContact CA-O 3.43Å; L1053-F1079 HydrophobicContact CB-CD1 3.71Å; L1053-F1079 HydrophobicContact CB-CE1 3.89Å; L1053-V1102 HydrophobicContact CD1-CG2 3.76Å; L1053-H1105 PolarHBondContact O-CE1 3.31Å; L1053-H1105 PolarHBondContact O-ND1 2.91Å
1054	H	97.3	Very high	94.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.5	-169.6	-49.6	-50.7	0	0	0	111	F979 D1052 L1078 H1105	F979-H1054 HydrophobicContact CB-CB 4.04Å; F979-H1054 WeakPolarHBondContact CB-CD2 3.25Å; F979-H1054 HydrophobicContact CD1-CB 4.48Å; F979-H1054 HydrophobicContact CG-CB 4.46Å; D1052-H1054 IonicContact OD1-CE1 2.67Å; D1052-H1054 IonicContact OD1-NE2 2.78Å; D1052-H1054 PolarHBondContact OD1-NE2 3.49Å; H1054-L1078 HydrophobicContact CB-CB 4.4Å; H1054-L1078 PolarHBondContact N-O 2.71Å; H1054-L1078 PolarHBondContact O-N 3.25Å; H1054-H1105 AromaticContact CE1-CE1 3.83Å; H1054-H1105 AromaticContact CE1-ND1 3.94Å; H1054-H1105 AromaticContact ND1-CE1 3.49Å; H1054-H1105 PolarHBondContact ND1-CE1 3.38Å; H1054-H1105 AromaticContact ND1-ND1 3.31Å; H1054-H1105 PolarHBondContact ND1-ND1 2.81Å
1055	T	97.1	Very high	94.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	94	-178.2	49.1	0	0	0	0	109.8	F380 P381 H1057 V1076 C1100 H1101	F380-T1055 HydrophobicContact CB-CG2 3.94Å; P381-T1055 WeakPolarHBondContact O-CB 3.4Å; P381-T1055 VanDerWaalsContact O-CG2 3.23Å; P381-T1055 WeakPolarHBondContact O-CG2 3.48Å; P381-T1055 PolarHBondContact O-OG1 3.42Å; T1055-H1057 PolarHBondContact O-N 3.27Å; T1055-V1076 CarbonylContact C-O 3.47Å; T1055-V1076 WeakPolarHBondContact CA-O 3.08Å; T1055-C1100 CarbonylContact O-C 3.44Å; T1055-C1100 WeakPolarHBondContact O-CA 3.39Å; T1055-H1101 PolarHBondContact O-N 3.1Å
1056	I	97.8	Very high	93.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.5	-163.8	-52.2	160.2	0	0	0	110.6	F979 M1044 V1075 V1076 L1078 L1098 H1099	F979-I1056 HydrophobicContact CD1-CD1 4.37Å; F979-I1056 HydrophobicContact CD1-CG1 4.06Å; F979-I1056 HydrophobicContact CD2-CD1 3.43Å; F979-I1056 VanDerWaalsContact CD2-CD1 3.43Å; F979-I1056 HydrophobicContact CD2-CG1 4.03Å; F979-I1056 HydrophobicContact CE1-CD1 4.21Å; F979-I1056 HydrophobicContact CE1-CG1 3.78Å; F979-I1056 HydrophobicContact CE1-CG2 4.1Å; F979-I1056 HydrophobicContact CE2-CD1 3.23Å; F979-I1056 HydrophobicContact CE2-CG1 3.76Å; F979-I1056 HydrophobicContact CE2-CG2 4.17Å; F979-I1056 HydrophobicContact CG-CD1 4.04Å; F979-I1056 HydrophobicContact CG-CG1 4.19Å; F979-I1056 HydrophobicContact CZ-CB 4.24Å; F979-I1056 HydrophobicContact CZ-CD1 3.67Å; F979-I1056 HydrophobicContact CZ-CG1 3.64Å; F979-I1056 HydrophobicContact CZ-CG2 3.55Å; M1044-I1056 HydrophobicContact CB-CD1 4.49Å; M1044-I1056 HydrophobicContact CE-CD1 4.08Å; M1044-I1056 HydrophobicContact CE-CG2 4.02Å; M1044-I1056 HydrophobicContact SD-CD1 4.27Å; I1056-V1075 CarbonylContact O-C 3.12Å; I1056-V1075 VanDerWaalsContact O-CA 3.26Å; I1056-V1075 WeakPolarHBondContact O-CA 3.16Å; I1056-V1076 HydrophobicContact CB-CB 4.28Å; I1056-V1076 HydrophobicContact CD1-CB 4.39Å; I1056-V1076 PolarHBondContact N-O 3.01Å; I1056-V1076 PolarHBondContact O-N 3.13Å; I1056-L1078 HydrophobicContact CD1-CD1 3.37Å; I1056-L1078 HydrophobicContact CD1-CG 3.76Å; I1056-L1078 HydrophobicContact CG1-CD1 4.46Å; I1056-L1098 HydrophobicContact CG2-CD2 3.66Å; I1056-L1098 HydrophobicContact CG2-CG 4.35Å; I1056-H1099 CarbonylContact C-O 3.31Å; I1056-H1099 WeakPolarHBondContact CA-O 3.37Å
1057	H	97.7	Very high	93.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.7	175	-175	42.7	0	0	0	112.5	H180 H182 T1055 H1059 D1074 V1075 L1098 H1099	H180-H1057 AromaticContact NE2-NE2 3.8Å; H182-H1057 AromaticContact CE1-CD2 3.6Å; H182-H1057 AromaticContact CE1-CE1 3.42Å; H182-H1057 PolarHBondContact CE1-CE1 3.48Å; H182-H1057 VanDerWaalsContact CE1-CE1 3.42Å; H182-H1057 AromaticContact CE1-CG 3.56Å; H182-H1057 AromaticContact CE1-ND1 3.43Å; H182-H1057 PolarHBondContact CE1-ND1 2.77Å; H182-H1057 AromaticContact CE1-NE2 3.54Å; H182-H1057 AromaticContact ND1-CE1 3.25Å; H182-H1057 PolarHBondContact ND1-CE1 2.9Å; H182-H1057 AromaticContact ND1-ND1 3.45Å; H182-H1057 PolarHBondContact ND1-ND1 2.86Å; H182-H1057 AromaticContact ND1-NE2 3.75Å; T1055-H1057 PolarHBondContact O-N 3.27Å; H1057-H1059 AromaticContact CD2-CD2 3.43Å; H1057-H1059 PolarHBondContact CD2-CD2 3.44Å; H1057-H1059 VanDerWaalsContact CD2-CD2 3.43Å; H1057-H1059 AromaticContact CD2-NE2 3.68Å; H1057-H1059 AromaticContact NE2-CD2 3.74Å; H1057-D1074 WeakPolarHBondContact CA-O 3.39Å; H1057-D1074 IonicContact CE1-OD2 2.93Å; H1057-D1074 PolarHBondContact CE1-OD2 2.99Å; H1057-D1074 PolarHBondContact ND1-O 3.34Å; H1057-D1074 IonicContact ND1-OD2 2.62Å; H1057-V1075 HydrophobicContact CB-CG2 4.13Å; H1057-L1098 WeakPolarHBondContact O-CA 3.43Å; H1057-H1099 AromaticContact CD2-NE2 3.76Å; H1057-H1099 PolarHBondContact N-O 3.42Å; H1057-H1099 PolarHBondContact O-N 3.21Å
1058	F	97.4	Very high	92.9	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.2	168.7	-72.5	-95.5	0	0	0	110.5	W1042 M1044 E1061 F1063 D1074 M1088 L1098 F1114	W1042-F1058 AromaticContact CD2-CE1 3.87Å; W1042-F1058 HydrophobicContact CD2-CE1 3.87Å; W1042-F1058 AromaticContact CD2-CZ 3.82Å; W1042-F1058 HydrophobicContact CD2-CZ 3.82Å; W1042-F1058 AromaticContact CE2-CE1 3.52Å; W1042-F1058 AromaticContact CE2-CZ 3.9Å; W1042-F1058 HydrophobicContact CE3-CE1 4.23Å; W1042-F1058 HydrophobicContact CE3-CZ 4.26Å; W1042-F1058 HydrophobicContact CG-CE1 4.4Å; W1042-F1058 AromaticContact CG-CZ 3.96Å; W1042-F1058 HydrophobicContact CG-CZ 3.96Å; W1042-F1058 HydrophobicContact CH2-CE1 4.02Å; W1042-F1058 AromaticContact CZ2-CE1 3.63Å; W1042-F1058 HydrophobicContact CZ2-CE1 3.63Å; W1042-F1058 HydrophobicContact CZ2-CZ 4.42Å; W1042-F1058 HydrophobicContact CZ3-CE1 4.3Å; W1042-F1058 AromaticContact NE1-CE1 3.84Å; M1044-F1058 HydrophobicContact CE-CE2 3.49Å; M1044-F1058 VanDerWaalsContact CE-CE2 3.49Å; M1044-F1058 HydrophobicContact CE-CZ 3.36Å; F1058-E1061 WeakPolarHBondContact CB-O 3.34Å; F1058-F1063 AromaticContact CD2-CD1 3.75Å; F1058-F1063 HydrophobicContact CD2-CD1 3.75Å; F1058-F1063 AromaticContact CD2-CE1 3.83Å; F1058-F1063 HydrophobicContact CD2-CE1 3.83Å; F1058-F1063 AromaticContact CE2-CD1 3.91Å; F1058-F1063 HydrophobicContact CE2-CD1 3.91Å; F1058-F1063 HydrophobicContact CE2-CE1 4.03Å; F1058-D1074 PolarHBondContact N-O 3.22Å; F1058-M1088 HydrophobicContact CD1-SD 4.26Å; F1058-M1088 HydrophobicContact CE1-SD 4.35Å; F1058-L1098 HydrophobicContact CD1-CD1 3.79Å; F1058-L1098 HydrophobicContact CD1-CG 4.18Å; F1058-L1098 HydrophobicContact CE1-CD1 3.43Å; F1058-L1098 VanDerWaalsContact CE1-CD1 3.43Å; F1058-L1098 HydrophobicContact CE1-CG 4.18Å; F1058-L1098 HydrophobicContact CZ-CD1 4.1Å; F1058-F1114 HydrophobicContact CD1-CE1 4.01Å; F1058-F1114 HydrophobicContact CD1-CZ 4.26Å
1059	H	97.1	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	138.5	173.9	-77.1	-129.9	0	0	0	111.4	H180 E191 H242 H1057 E1061 W1096 L1097 H1099 F1114	H180-H1059 AromaticContact CE1-CE1 3.44Å; H180-H1059 PolarHBondContact CE1-CE1 2.8Å; H180-H1059 VanDerWaalsContact CE1-CE1 3.44Å; H180-H1059 AromaticContact CE1-ND1 3.45Å; H180-H1059 PolarHBondContact CE1-ND1 2.6Å; H180-H1059 AromaticContact NE2-CE1 3.64Å; H180-H1059 AromaticContact NE2-NE2 3.99Å; E191-H1059 WeakPolarHBondContact OE1-CB 3.26Å; E191-H1059 IonicContact OE1-CE1 3.67Å; E191-H1059 IonicContact OE1-CG 2.66Å; E191-H1059 IonicContact OE1-ND1 3.15Å; E191-H1059 PolarHBondContact OE1-ND1 2.94Å; H242-H1059 AromaticContact NE2-CE1 3.63Å; H242-H1059 AromaticContact NE2-NE2 3.82Å; H1057-H1059 AromaticContact CD2-CD2 3.43Å; H1057-H1059 PolarHBondContact CD2-CD2 3.44Å; H1057-H1059 VanDerWaalsContact CD2-CD2 3.43Å; H1057-H1059 AromaticContact CD2-NE2 3.68Å; H1057-H1059 AromaticContact NE2-CD2 3.74Å; H1059-E1061 PolarHBondContact O-N 3.5Å; H1059-W1096 HydrophobicContact CB-CB 4.11Å; H1059-L1097 HydrophobicContact CB-CB 4.44Å; H1059-L1097 WeakPolarHBondContact CB-O 3.34Å; H1059-L1097 PolarHBondContact CD2-O 3.35Å; H1059-L1097 VanDerWaalsContact CD2-O 3.32Å; H1059-L1097 PolarHBondContact N-O 2.99Å; H1059-H1099 AromaticContact CD2-CD2 3.96Å; H1059-H1099 AromaticContact NE2-CD2 3.54Å; H1059-H1099 AromaticContact NE2-NE2 3.44Å; H1059-H1099 PolarHBondContact NE2-NE2 3Å; H1059-F1114 WeakPolarHBondContact O-CZ 3.37Å
1060	A	92.5	Very high	92.8	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	5.3	169.6	0	0	0	0	0	118	Y186 N1092 W1096	Y186-A1060 HydrophobicContact CD2-CB 4.14Å; Y186-A1060 HydrophobicContact CE1-CB 4.26Å; Y186-A1060 HydrophobicContact CE2-CB 3.46Å; Y186-A1060 VanDerWaalsContact CE2-CB 3.46Å; Y186-A1060 PolarHBondContact OH-N 3.07Å; A1060-N1092 WeakPolarHBondContact CB-ND2 3.32Å; A1060-N1092 PolarHBondContact O-ND2 3.24Å; A1060-W1096 HydrophobicContact CB-CD2 3.61Å; A1060-W1096 HydrophobicContact CB-CE3 3.38Å; A1060-W1096 HydrophobicContact CB-CG 4.38Å; A1060-W1096 HydrophobicContact CB-CH2 3.61Å; A1060-W1096 HydrophobicContact CB-CZ2 3.87Å; A1060-W1096 HydrophobicContact CB-CZ3 3.37Å
1061	E	93	Very high	93.1	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	11%	0.109	C	C	.	.			trans	-138.9	129.6	177.6	-63.1	-80.8	-155	0	0	110.3	F1058 H1059 M1088 A1090 S1091 N1092 F1114	F1058-E1061 WeakPolarHBondContact CB-O 3.34Å; H1059-E1061 PolarHBondContact O-N 3.5Å; E1061-M1088 HydrophobicContact CB-SD 3.97Å; E1061-A1090 WeakPolarHBondContact OE1-CA 3.1Å; E1061-S1091 VanDerWaalsContact CD-N 3.32Å; E1061-S1091 PolarHBondContact OE1-N 3.13Å; E1061-S1091 WeakPolarHBondContact OE2-CB 3.22Å; E1061-S1091 PolarHBondContact OE2-N 3.3Å; E1061-S1091 VanDerWaalsContact OE2-N 3.15Å; E1061-S1091 PolarHBondContact OE2-OG 3.27Å; E1061-N1092 PolarHBondContact OE1-N 3.46Å; E1061-F1114 HydrophobicContact CB-CZ 4.45Å; E1061-F1114 HydrophobicContact CG-CE2 4.14Å; E1061-F1114 HydrophobicContact CG-CZ 4.15Å
1062	S	93.3	Very high	93.2	Very high	5 Å²	5	20.6 Å²	20.6	4%	0.035	10%	0.102	C	C	.	.			trans	-103.1	145.6	171.3	62.3	0	0	0	0	111.9	S224 H225 R1072	S224-S1062 PolarHBondContact O-OG 3.31Å; H225-S1062 PolarHBondContact CD2-OG 3.15Å; H225-S1062 PolarHBondContact NE2-N 3.01Å; H225-S1062 VanDerWaalsContact NE2-N 3.16Å; H225-S1062 PolarHBondContact NE2-OG 3.17Å; S1062-R1072 PolarHBondContact O-NH1 2.87Å; S1062-R1072 WeakPolarHBondContact OG-CD 3.41Å; S1062-R1072 PolarHBondContact OG-NH1 2.89Å
1063	F	94.8	Very high	93.2	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	172.9	-179	60.2	-100.5	0	0	0	112.3	F1058 A1073 D1074 V1075 V1076 V1086 M1088	F1058-F1063 AromaticContact CD2-CD1 3.75Å; F1058-F1063 HydrophobicContact CD2-CD1 3.75Å; F1058-F1063 AromaticContact CD2-CE1 3.83Å; F1058-F1063 HydrophobicContact CD2-CE1 3.83Å; F1058-F1063 AromaticContact CE2-CD1 3.91Å; F1058-F1063 HydrophobicContact CE2-CD1 3.91Å; F1058-F1063 HydrophobicContact CE2-CE1 4.03Å; F1063-A1073 HydrophobicContact CD2-CB 4.33Å; F1063-A1073 HydrophobicContact CE2-CB 3.55Å; F1063-A1073 HydrophobicContact CZ-CB 3.68Å; F1063-A1073 PolarHBondContact N-O 3.2Å; F1063-A1073 PolarHBondContact O-N 3.13Å; F1063-D1074 VanDerWaalsContact CE1-C 3.45Å; F1063-V1075 WeakPolarHBondContact CZ-O 3.18Å; F1063-V1076 HydrophobicContact CE1-CG2 3.62Å; F1063-V1076 HydrophobicContact CE2-CG2 3.97Å; F1063-V1076 HydrophobicContact CZ-CB 4.41Å; F1063-V1076 HydrophobicContact CZ-CG2 3.28Å; F1063-V1086 HydrophobicContact CB-CB 4.33Å; F1063-V1086 HydrophobicContact CB-CG2 4.48Å; F1063-V1086 HydrophobicContact CD2-CB 3.57Å; F1063-V1086 HydrophobicContact CD2-CG1 3.67Å; F1063-V1086 HydrophobicContact CD2-CG2 4.16Å; F1063-V1086 HydrophobicContact CE2-CB 4.05Å; F1063-V1086 HydrophobicContact CE2-CG1 3.61Å; F1063-V1086 HydrophobicContact CG-CB 3.99Å; F1063-V1086 HydrophobicContact CG-CG1 4.46Å; F1063-V1086 HydrophobicContact CG-CG2 4.13Å; F1063-V1086 HydrophobicContact CZ-CG1 4.38Å; F1063-M1088 HydrophobicContact CB-CB 4.22Å; F1063-M1088 HydrophobicContact CB-CG 4.45Å
1064	L	94.1	Very high	93.2	Very high	41 Å²	41	21.1 Å²	21.1	22%	0.215	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.2	170.7	-63.1	176.4	0	0	0	109.8	T228 Y1071 E1087	T228-L1064 HydrophobicContact CG2-CD2 3.82Å; L1064-Y1071 WeakPolarHBondContact CA-O 3.31Å; L1064-E1087 PolarHBondContact N-O 2.66Å; L1064-E1087 PolarHBondContact O-N 3Å
1065	Y	89.2	Confident	93.2	Very high	44 Å²	44	21.8 Å²	21.8	17%	0.173	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.7	165.2	179.8	-98	0	0	0	109.1	M724 K726 N1067 Y1071 V1086	M724-Y1065 PolarHBondContact SD-OH 2.9Å; M724-Y1065 VanDerWaalsContact SD-OH 3.36Å; K726-Y1065 PolarHBondContact NZ-OH 2.84Å; K726-Y1065 VanDerWaalsContact NZ-OH 3.08Å; Y1065-N1067 HydrophobicContact CE1-CB 3.98Å; Y1065-Y1071 PolarHBondContact N-O 3.02Å; Y1065-Y1071 PolarHBondContact O-N 3.3Å; Y1065-V1086 HydrophobicContact CD2-CG1 4.31Å
1066	R	87.4	Confident	93.2	Very high	82 Å²	82	22.2 Å²	22.2	31%	0.309	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121	-174.7	-164.5	177.6	-172.7	142.8	7.2	112.2	M724 E1069	M724-R1066 WeakPolarHBondContact CE-O 3.44Å; R1066-E1069 WeakPolarHBondContact CA-O 3.36Å
1067	N	85.2	Confident	93.1	Very high	14 Å²	14	24.5 Å²	24.5	8%	0.075	13%	0.125	C	C	.	.	S	Bend	trans	-139.6	81	169.6	-178.6	8.9	0	0	0	108.7	Q722 M724 N927 Y1065 E1069 Y1071	Q722-N1067 PolarHBondContact OE1-ND2 2.83Å; Q722-N1067 VanDerWaalsContact OE1-ND2 3.09Å; M724-N1067 HydrophobicContact CG-CB 4.46Å; M724-N1067 WeakPolarHBondContact CG-OD1 3.48Å; M724-N1067 HydrophobicContact SD-CB 3.73Å; N927-N1067 PolarHBondContact ND2-OD1 3.01Å; N927-N1067 VanDerWaalsContact ND2-OD1 3.14Å; Y1065-N1067 HydrophobicContact CE1-CB 3.98Å; N1067-E1069 CarbonylContact C-O 3.59Å; N1067-E1069 PolarHBondContact N-O 2.82Å; N1067-E1069 PolarHBondContact O-N 2.87Å; N1067-Y1071 HydrophobicContact CB-CE2 4.2Å
1068	G	84.1	Confident	93	Very high	26 Å²	26	24.4 Å²	24.4	27%	0.268	12%	0.124	S	C	.	.	S	Bend	trans	77.3	-68.4	-171	0	0	0	0	0	110.4	N927	N927-G1068 VanDerWaalsContact CB-N 3.29Å; N927-G1068 PolarHBondContact O-N 3.35Å
1069	E	89.9	Confident	92.9	Very high	115 Å²	115	24.9 Å²	24.9	54%	0.537	13%	0.126	S	C	.	.	S	Bend	trans	-89.4	172.2	168	-57.9	-58.2	158.1	0	0	111.6	A230 R1066 N1067 Y1071	A230-E1069 HydrophobicContact CB-CB 3.54Å; A230-E1069 HydrophobicContact CB-CG 3.98Å; R1066-E1069 WeakPolarHBondContact CA-O 3.36Å; N1067-E1069 CarbonylContact C-O 3.59Å; N1067-E1069 PolarHBondContact N-O 2.82Å; N1067-E1069 PolarHBondContact O-N 2.87Å; E1069-Y1071 HydrophobicContact CB-CE2 4.25Å
1070	N	91.9	Very high	92.8	Very high	59 Å²	59	24.9 Å²	24.9	32%	0.316	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.1	173.7	-59.7	-15.6	0	0	0	110.1	T228	T228-N1070 WeakPolarHBondContact CB-O 3.42Å; T228-N1070 HydrophobicContact CG2-CB 4.38Å; T228-N1070 WeakPolarHBondContact CG2-O 3.5Å; T228-N1070 PolarHBondContact OG1-O 2.94Å
1071	Y	93.3	Very high	92.8	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.4	176.6	-61.4	-81.9	0	0	0	110.1	A230 D231 R370 L1064 Y1065 N1067 E1069	A230-Y1071 HydrophobicContact CB-CD1 4.4Å; A230-Y1071 HydrophobicContact CB-CE1 3.89Å; D231-Y1071 WeakPolarHBondContact OD1-CD1 3.48Å; R370-Y1071 HydrophobicContact CB-CD1 4.35Å; R370-Y1071 HydrophobicContact CB-CE1 3.91Å; R370-Y1071 HydrophobicContact CG-CD1 4.06Å; R370-Y1071 HydrophobicContact CG-CE1 4.13Å; R370-Y1071 PolarHBondContact O-OH 2.96Å; L1064-Y1071 WeakPolarHBondContact CA-O 3.31Å; Y1065-Y1071 PolarHBondContact N-O 3.02Å; Y1065-Y1071 PolarHBondContact O-N 3.3Å; N1067-Y1071 HydrophobicContact CB-CE2 4.2Å; E1069-Y1071 HydrophobicContact CB-CE2 4.25Å
1072	R	94.9	Very high	92.8	Very high	25 Å²	25	25 Å²	25	9%	0.094	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.8	-179.1	178.9	63	61.9	-176.5	5.9	111.7	S224 A226 T228 D231 L235 W237 S1062	S224-R1072 PolarHBondContact O-NH1 3.08Å; S224-R1072 PolarHBondContact O-NH2 2.75Å; A226-R1072 PolarHBondContact O-NE 3.38Å; T228-R1072 HydrophobicContact CG2-CB 4.39Å; D231-R1072 PolarHBondContact OD1-N 3.48Å; D231-R1072 WeakPolarHBondContact OD2-CB 3.47Å; D231-R1072 PolarHBondContact OD2-N 3.14Å; L235-R1072 HydrophobicContact CD1-CB 3.64Å; L235-R1072 HydrophobicContact CD1-CG 3.9Å; W237-R1072 HydrophobicContact CH2-CG 3.93Å; W237-R1072 HydrophobicContact CZ2-CG 3.99Å; S1062-R1072 PolarHBondContact O-NH1 2.87Å; S1062-R1072 WeakPolarHBondContact OG-CD 3.41Å; S1062-R1072 PolarHBondContact OG-NH1 2.89Å
1073	A	94.9	Very high	92.9	Very high	11 Å²	11	25.5 Å²	25.5	9%	0.091	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	164.8	171.7	0	0	0	0	0	111.5	F1063	F1063-A1073 HydrophobicContact CD2-CB 4.33Å; F1063-A1073 HydrophobicContact CE2-CB 3.55Å; F1063-A1073 HydrophobicContact CZ-CB 3.68Å; F1063-A1073 PolarHBondContact N-O 3.2Å; F1063-A1073 PolarHBondContact O-N 3.13Å
1074	D	95.1	Very high	92.8	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-134.3	1.8	174.2	67.7	-17.3	0	0	0	113.1	H182 G183 W237 F384 H1057 F1058 F1063	H182-D1074 WeakPolarHBondContact CA-OD2 3.12Å; H182-D1074 WeakPolarHBondContact CB-OD2 3.32Å; H182-D1074 IonicContact CG-OD2 3.76Å; H182-D1074 IonicContact ND1-OD1 2.82Å; H182-D1074 IonicContact ND1-OD2 2.64Å; H182-D1074 PolarHBondContact ND1-OD2 2.51Å; H182-D1074 VanDerWaalsContact ND1-OD2 3.11Å; G183-D1074 PolarHBondContact N-OD2 3.15Å; W237-D1074 HydrophobicContact CZ3-CB 4.43Å; W237-D1074 WeakPolarHBondContact CZ3-OD1 3.17Å; F384-D1074 WeakPolarHBondContact CE2-OD1 3.22Å; H1057-D1074 WeakPolarHBondContact CA-O 3.39Å; H1057-D1074 IonicContact CE1-OD2 2.93Å; H1057-D1074 PolarHBondContact CE1-OD2 2.99Å; H1057-D1074 PolarHBondContact ND1-O 3.34Å; H1057-D1074 IonicContact ND1-OD2 2.62Å; F1058-D1074 PolarHBondContact N-O 3.22Å; F1063-D1074 VanDerWaalsContact CE1-C 3.45Å
1075	V	96.8	Very high	92.8	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.079	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.4	172.7	179.6	0	0	0	0	109.7	A382 F384 I1056 H1057 F1063	A382-V1075 HydrophobicContact CB-CG1 4.46Å; A382-V1075 HydrophobicContact CB-CG2 4.18Å; F384-V1075 HydrophobicContact CE2-CG2 3.78Å; F384-V1075 HydrophobicContact CZ-CG2 4.27Å; I1056-V1075 CarbonylContact O-C 3.12Å; I1056-V1075 VanDerWaalsContact O-CA 3.26Å; I1056-V1075 WeakPolarHBondContact O-CA 3.16Å; H1057-V1075 HydrophobicContact CB-CG2 4.13Å; F1063-V1075 WeakPolarHBondContact CZ-O 3.18Å
1076	V	96.5	Very high	93.1	Very high	9 Å²	9	23 Å²	23	6%	0.055	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.4	175.1	-174.6	0	0	0	0	110.1	M1044 T1055 I1056 F1063 L1078 V1086	M1044-V1076 HydrophobicContact CB-CG1 4.4Å; M1044-V1076 HydrophobicContact CE-CG2 4.43Å; M1044-V1076 HydrophobicContact CG-CG1 4.44Å; T1055-V1076 CarbonylContact C-O 3.47Å; T1055-V1076 WeakPolarHBondContact CA-O 3.08Å; I1056-V1076 HydrophobicContact CB-CB 4.28Å; I1056-V1076 HydrophobicContact CD1-CB 4.39Å; I1056-V1076 PolarHBondContact N-O 3.01Å; I1056-V1076 PolarHBondContact O-N 3.13Å; F1063-V1076 HydrophobicContact CE1-CG2 3.62Å; F1063-V1076 HydrophobicContact CE2-CG2 3.97Å; F1063-V1076 HydrophobicContact CZ-CB 4.41Å; F1063-V1076 HydrophobicContact CZ-CG2 3.28Å; V1076-L1078 HydrophobicContact CG1-CD2 3.87Å; V1076-L1078 HydrophobicContact CG1-CG 4.23Å; V1076-V1086 HydrophobicContact CG2-CG1 4.04Å; V1076-V1086 HydrophobicContact CG2-CG2 4.31Å
1077	D	95.9	Very high	93.5	Very high	48 Å²	48	20.7 Å²	20.7	26%	0.257	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120	172.2	-39.1	-69.7	0	0	0	110.4	T383 F1079	T383-D1077 WeakPolarHBondContact CB-OD1 3.4Å; T383-D1077 WeakPolarHBondContact CG2-OD1 3.18Å; T383-D1077 PolarHBondContact OG1-OD1 2.94Å; D1077-F1079 HydrophobicContact CB-CE2 3.8Å; D1077-F1079 HydrophobicContact CB-CZ 3.93Å
1078	L	96	Very high	94	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.2	173.6	-62.4	-171.1	0	0	0	112.2	F979 M1044 L1053 H1054 I1056 V1076 T1082 E1084	F979-L1078 HydrophobicContact CD2-CD1 4.18Å; M1044-L1078 HydrophobicContact CB-CD1 4.08Å; M1044-L1078 HydrophobicContact CB-CD2 4.02Å; L1053-L1078 CarbonylContact C-O 3.58Å; L1053-L1078 WeakPolarHBondContact CA-O 3.43Å; H1054-L1078 HydrophobicContact CB-CB 4.4Å; H1054-L1078 PolarHBondContact N-O 2.71Å; H1054-L1078 PolarHBondContact O-N 3.25Å; I1056-L1078 HydrophobicContact CD1-CD1 3.37Å; I1056-L1078 HydrophobicContact CD1-CG 3.76Å; I1056-L1078 HydrophobicContact CG1-CD1 4.46Å; V1076-L1078 HydrophobicContact CG1-CD2 3.87Å; V1076-L1078 HydrophobicContact CG1-CG 4.23Å; L1078-T1082 HydrophobicContact CD2-CG2 3.66Å; L1078-E1084 HydrophobicContact CD2-CG 4.33Å
1079	F	95.7	Very high	94.5	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.048	12%	0.117	C	C	.	.			trans	-150.8	170.2	-179.7	-47.4	-84.1	0	0	0	109.3	F380 V709 M730 F732 G1046 L1053 D1077 G1081 T1082	F380-F1079 AromaticContact CD1-CE1 3.81Å; F380-F1079 HydrophobicContact CD1-CE1 3.81Å; F380-F1079 HydrophobicContact CD1-CZ 4.02Å; F380-F1079 HydrophobicContact CD2-CE1 4.35Å; F380-F1079 AromaticContact CD2-CZ 3.72Å; F380-F1079 HydrophobicContact CD2-CZ 3.72Å; F380-F1079 AromaticContact CE1-CE1 3.65Å; F380-F1079 HydrophobicContact CE1-CE1 3.65Å; F380-F1079 AromaticContact CE1-CZ 3.81Å; F380-F1079 HydrophobicContact CE1-CZ 3.81Å; F380-F1079 HydrophobicContact CE2-CE1 4.24Å; F380-F1079 HydrophobicContact CE2-CE2 4.39Å; F380-F1079 AromaticContact CE2-CZ 3.53Å; F380-F1079 HydrophobicContact CE2-CZ 3.53Å; F380-F1079 HydrophobicContact CG-CE1 4.17Å; F380-F1079 AromaticContact CG-CZ 3.99Å; F380-F1079 HydrophobicContact CG-CZ 3.99Å; F380-F1079 AromaticContact CZ-CE1 3.9Å; F380-F1079 HydrophobicContact CZ-CE1 3.9Å; F380-F1079 AromaticContact CZ-CZ 3.57Å; F380-F1079 HydrophobicContact CZ-CZ 3.57Å; V709-F1079 HydrophobicContact CG1-CB 4.2Å; V709-F1079 HydrophobicContact CG1-CD1 3.92Å; V709-F1079 HydrophobicContact CG1-CG 4.42Å; M730-F1079 HydrophobicContact CE-CB 3.31Å; M730-F1079 HydrophobicContact CE-CD2 4.29Å; M730-F1079 HydrophobicContact CE-CG 3.9Å; M730-F1079 HydrophobicContact CG-CD2 4.14Å; M730-F1079 HydrophobicContact SD-CB 3.99Å; F732-F1079 AromaticContact CE1-CD1 3.71Å; F732-F1079 HydrophobicContact CE1-CD1 3.71Å; F732-F1079 AromaticContact CE1-CE1 3.59Å; F732-F1079 HydrophobicContact CE1-CE1 3.59Å; F732-F1079 HydrophobicContact CE1-CG 4.23Å; F732-F1079 HydrophobicContact CE1-CZ 4.03Å; F732-F1079 AromaticContact CZ-CD1 3.82Å; F732-F1079 HydrophobicContact CZ-CD1 3.82Å; F732-F1079 AromaticContact CZ-CD2 3.89Å; F732-F1079 HydrophobicContact CZ-CD2 3.89Å; F732-F1079 AromaticContact CZ-CE1 3.64Å; F732-F1079 HydrophobicContact CZ-CE1 3.64Å; F732-F1079 AromaticContact CZ-CE2 3.73Å; F732-F1079 HydrophobicContact CZ-CE2 3.73Å; F732-F1079 AromaticContact CZ-CG 3.94Å; F732-F1079 HydrophobicContact CZ-CG 3.94Å; F732-F1079 AromaticContact CZ-CZ 3.61Å; F732-F1079 HydrophobicContact CZ-CZ 3.61Å; G1046-F1079 CarbonylContact C-O 3.58Å; L1053-F1079 HydrophobicContact CB-CD1 3.71Å; L1053-F1079 HydrophobicContact CB-CE1 3.89Å; D1077-F1079 HydrophobicContact CB-CE2 3.8Å; D1077-F1079 HydrophobicContact CB-CZ 3.93Å; F1079-G1081 PolarHBondContact O-N 2.96Å; F1079-G1081 VanDerWaalsContact O-N 3.09Å; F1079-T1082 PolarHBondContact N-OG1 2.75Å; F1079-T1082 WeakPolarHBondContact O-CB 3.41Å; F1079-T1082 PolarHBondContact O-N 2.82Å; F1079-T1082 PolarHBondContact O-OG1 2.61Å
1080	P	94.3	Very high	94.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	115.2	-179.1	-26	35	0	0	0	113.9	Q754 A755 Q1049 D1052	Q754-P1080 HydrophobicContact CG-CB 4.37Å; A755-P1080 HydrophobicContact CB-CB 4.41Å; A755-P1080 HydrophobicContact CB-CG 4.24Å; Q1049-P1080 WeakPolarHBondContact O-CG 3.3Å; D1052-P1080 HydrophobicContact CB-CG 4.33Å; D1052-P1080 WeakPolarHBondContact O-CD 3.43Å
1081	G	91.6	Very high	94.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	6.4	-176.7	0	0	0	0	0	115.3	A728 G1046 F1079	A728-G1081 WeakPolarHBondContact CB-O 3.48Å; G1046-G1081 PolarHBondContact O-N 3.02Å; F1079-G1081 PolarHBondContact O-N 2.96Å; F1079-G1081 VanDerWaalsContact O-N 3.09Å
1082	T	94.1	Very high	94.4	Very high	10 Å²	10	15.4 Å²	15.4	6%	0.061	9%	0.085	C	C	.	.			trans	-85.7	119.4	176.3	-54.3	0	0	0	0	110.1	M730 G1046 L1078 F1079 E1084	M730-T1082 PolarHBondContact SD-OG1 3.02Å; G1046-T1082 PolarHBondContact N-O 3.29Å; L1078-T1082 HydrophobicContact CD2-CG2 3.66Å; F1079-T1082 PolarHBondContact N-OG1 2.75Å; F1079-T1082 WeakPolarHBondContact O-CB 3.41Å; F1079-T1082 PolarHBondContact O-N 2.82Å; F1079-T1082 PolarHBondContact O-OG1 2.61Å; T1082-E1084 HydrophobicContact CG2-CG 3.92Å
1083	F	94.2	Very high	94.3	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.066	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	94.8	-177.8	-45.8	-46.1	0	0	0	109.7	M713 H893 S933 W934 I935 M1044 L1045 M1047	M713-F1083 HydrophobicContact CE-CE2 4.13Å; M713-F1083 HydrophobicContact CE-CZ 4.43Å; H893-F1083 HydrophobicContact CB-CE2 4.43Å; S933-F1083 WeakPolarHBondContact O-CB 2.91Å; W934-F1083 HydrophobicContact CE3-CD2 4.15Å; I935-F1083 HydrophobicContact CB-CE1 4.39Å; I935-F1083 HydrophobicContact CB-CZ 4.38Å; I935-F1083 HydrophobicContact CD1-CE1 4Å; I935-F1083 HydrophobicContact CD1-CZ 3.7Å; I935-F1083 HydrophobicContact CG1-CE1 4.03Å; I935-F1083 HydrophobicContact CG1-CE2 4.19Å; I935-F1083 HydrophobicContact CG1-CZ 3.6Å; I935-F1083 HydrophobicContact CG2-CD1 3.9Å; I935-F1083 HydrophobicContact CG2-CE1 3.57Å; I935-F1083 HydrophobicContact CG2-CZ 4.03Å; M1044-F1083 CarbonylContact O-C 3.47Å; M1044-F1083 WeakPolarHBondContact O-CA 3.26Å; L1045-F1083 HydrophobicContact CB-CD1 4.41Å; L1045-F1083 HydrophobicContact CD2-CB 4.07Å; L1045-F1083 HydrophobicContact CD2-CD1 3.73Å; L1045-F1083 HydrophobicContact CD2-CG 4.2Å; M1047-F1083 HydrophobicContact CG-CE1 4.35Å; M1047-F1083 HydrophobicContact SD-CE1 4.01Å; M1047-F1083 HydrophobicContact SD-CZ 4.04Å
1084	E	92.9	Very high	94.3	Very high	27 Å²	27	17.1 Å²	17.1	13%	0.126	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	160.9	-174.2	-64.6	-53.9	151.1	0	0	113.7	K726 Y1043 M1044 L1078 T1082	K726-E1084 IonicContact NZ-OE1 2.7Å; K726-E1084 PolarHBondContact NZ-OE1 2.94Å; K726-E1084 IonicContact NZ-OE2 3.17Å; K726-E1084 PolarHBondContact NZ-OE2 2.84Å; Y1043-E1084 WeakPolarHBondContact CA-O 3.44Å; M1044-E1084 HydrophobicContact CB-CB 4.4Å; M1044-E1084 PolarHBondContact N-O 2.89Å; M1044-E1084 PolarHBondContact O-N 2.79Å; L1078-E1084 HydrophobicContact CD2-CG 4.33Å; T1082-E1084 HydrophobicContact CG2-CG 3.92Å
1085	V	95.1	Very high	94.3	Very high	10 Å²	10	18.6 Å²	18.6	6%	0.061	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	101.8	176.4	-169.8	0	0	0	0	109.5	S929 W1042 Y1043	S929-V1085 PolarHBondContact OG-O 3.15Å; W1042-V1085 WeakPolarHBondContact O-CA 3.34Å; Y1043-V1085 HydrophobicContact CD1-CB 4.4Å; Y1043-V1085 HydrophobicContact CD1-CG1 3.86Å; Y1043-V1085 HydrophobicContact CD1-CG2 3.87Å; Y1043-V1085 HydrophobicContact CE1-CG1 3.76Å; Y1043-V1085 HydrophobicContact CE1-CG2 4.26Å
1086	V	95.9	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.6	177	-60.6	0	0	0	0	111.3	W1042 M1044 F1063 Y1065 V1076	W1042-V1086 HydrophobicContact CB-CG2 3.8Å; W1042-V1086 HydrophobicContact CG-CG2 4.37Å; W1042-V1086 PolarHBondContact N-O 2.91Å; W1042-V1086 PolarHBondContact O-N 3.18Å; W1042-V1086 VanDerWaalsContact O-N 3.11Å; M1044-V1086 HydrophobicContact CG-CG2 4.37Å; F1063-V1086 HydrophobicContact CB-CB 4.33Å; F1063-V1086 HydrophobicContact CB-CG2 4.48Å; F1063-V1086 HydrophobicContact CD2-CB 3.57Å; F1063-V1086 HydrophobicContact CD2-CG1 3.67Å; F1063-V1086 HydrophobicContact CD2-CG2 4.16Å; F1063-V1086 HydrophobicContact CE2-CB 4.05Å; F1063-V1086 HydrophobicContact CE2-CG1 3.61Å; F1063-V1086 HydrophobicContact CG-CB 3.99Å; F1063-V1086 HydrophobicContact CG-CG1 4.46Å; F1063-V1086 HydrophobicContact CG-CG2 4.13Å; F1063-V1086 HydrophobicContact CZ-CG1 4.38Å; Y1065-V1086 HydrophobicContact CD2-CG1 4.31Å; V1076-V1086 HydrophobicContact CG2-CG1 4.04Å; V1076-V1086 HydrophobicContact CG2-CG2 4.31Å
1087	E	95.7	Very high	94.4	Very high	33 Å²	33	17.6 Å²	17.6	15%	0.154	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.9	-172.5	-57.5	-168.7	154.5	0	0	109.5	S929 R968 M971 L1064	S929-E1087 WeakPolarHBondContact CB-OE1 3.19Å; R968-E1087 IonicContact NH2-OE1 3.77Å; R968-E1087 PolarHBondContact NH2-OE1 2.96Å; M971-E1087 HydrophobicContact CE-CB 3.92Å; M971-E1087 HydrophobicContact CE-CG 3.59Å; M971-E1087 WeakPolarHBondContact CE-OE1 3.49Å; L1064-E1087 PolarHBondContact N-O 2.66Å; L1064-E1087 PolarHBondContact O-N 3Å
1088	M	95	Very high	94.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151	-174.7	-166.9	-179.4	90.5	0	0	110.9	M1034 R1039 V1040 W1042 F1058 E1061 F1063 A1090 F1114	M1034-M1088 HydrophobicContact SD-CE 3.5Å; M1034-M1088 WeakPolarHBondContact SD-CE 3.21Å; R1039-M1088 WeakPolarHBondContact CA-O 3.25Å; V1040-M1088 HydrophobicContact CB-CB 4.45Å; V1040-M1088 PolarHBondContact N-O 3.1Å; V1040-M1088 PolarHBondContact O-N 2.95Å; W1042-M1088 HydrophobicContact CZ2-CE 4.03Å; W1042-M1088 HydrophobicContact CZ2-SD 4.41Å; F1058-M1088 HydrophobicContact CD1-SD 4.26Å; F1058-M1088 HydrophobicContact CE1-SD 4.35Å; E1061-M1088 HydrophobicContact CB-SD 3.97Å; F1063-M1088 HydrophobicContact CB-CB 4.22Å; F1063-M1088 HydrophobicContact CB-CG 4.45Å; M1088-A1090 HydrophobicContact CE-CB 4.33Å; M1088-F1114 HydrophobicContact CE-CE2 4.37Å
1089	V	94.1	Very high	94.5	Very high	75 Å²	75	15.5 Å²	15.5	46%	0.455	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	102.1	172.3	-172.8	0	0	0	0	107.9	R1039 S1091	R1039-V1089 HydrophobicContact CG-CG2 4.24Å; V1089-S1091 PolarHBondContact O-N 3.11Å
1090	A	93.2	Very high	94.6	Very high	1 Å²	1	15 Å²	15	1%	0.008	9%	0.092	C	C	.	.			trans	-60.5	113	-174	0	0	0	0	0	110.4	M1034 Q1036 G1037 E1038 E1061 M1088 V1116	M1034-A1090 HydrophobicContact CG-CB 3.85Å; M1034-A1090 HydrophobicContact SD-CB 3.98Å; Q1036-A1090 CarbonylContact C-O 3.56Å; Q1036-A1090 WeakPolarHBondContact CA-O 3.15Å; G1037-A1090 PolarHBondContact N-O 2.86Å; E1038-A1090 PolarHBondContact O-N 2.68Å; E1038-A1090 VanDerWaalsContact O-N 3.1Å; E1061-A1090 WeakPolarHBondContact OE1-CA 3.1Å; M1088-A1090 HydrophobicContact CE-CB 4.33Å; A1090-V1116 HydrophobicContact CB-CG1 4.06Å; A1090-V1116 HydrophobicContact CB-CG2 4.3Å
1091	S	89.4	Confident	94.7	Very high	23 Å²	23	15.4 Å²	15.4	16%	0.161	9%	0.094	C	C	.	.			trans	-113.2	-26.5	-170.5	75.9	0	0	0	0	113.4	Q1036 E1061 V1089	Q1036-S1091 PolarHBondContact NE2-O 2.96Å; E1061-S1091 VanDerWaalsContact CD-N 3.32Å; E1061-S1091 PolarHBondContact OE1-N 3.13Å; E1061-S1091 WeakPolarHBondContact OE2-CB 3.22Å; E1061-S1091 PolarHBondContact OE2-N 3.3Å; E1061-S1091 VanDerWaalsContact OE2-N 3.15Å; E1061-S1091 PolarHBondContact OE2-OG 3.27Å; V1089-S1091 PolarHBondContact O-N 3.11Å
1092	N	91.1	Very high	94.9	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.027	9%	0.093	C	C	.	.			trans	-119.9	102.8	-163.5	-157.5	-5.1	0	0	0	112.7	F185 Y186 A1060 E1061 G1094 W1096 V1116	F185-N1092 HydrophobicContact CD2-CB 4.35Å; F185-N1092 HydrophobicContact CE2-CB 3.61Å; F185-N1092 HydrophobicContact CZ-CB 4.24Å; F185-N1092 WeakPolarHBondContact CZ-OD1 3.34Å; Y186-N1092 PolarHBondContact O-ND2 2.86Å; A1060-N1092 WeakPolarHBondContact CB-ND2 3.32Å; A1060-N1092 PolarHBondContact O-ND2 3.24Å; E1061-N1092 PolarHBondContact OE1-N 3.46Å; N1092-G1094 PolarHBondContact O-N 2.94Å; N1092-W1096 HydrophobicContact CB-CZ2 4.09Å; N1092-W1096 VanDerWaalsContact CG-CZ2 3.4Å; N1092-W1096 WeakPolarHBondContact ND2-CZ2 3.48Å; N1092-W1096 PolarHBondContact O-NE1 2.78Å; N1092-V1116 VanDerWaalsContact O-CB 3.28Å; N1092-V1116 WeakPolarHBondContact O-CB 3.49Å
1093	P	93.5	Very high	95	Very high	53 Å²	53	15.3 Å²	15.3	34%	0.344	9%	0.093	S	C	.	.			trans	-68.5	123.5	-177.2	-19.7	33.5	0	0	0	112.7	Q1036 V1116	Q1036-P1093 HydrophobicContact CB-CG 4.29Å; Q1036-P1093 HydrophobicContact CG-CG 4.21Å; P1093-V1116 CarbonylContact C-O 3.45Å; P1093-V1116 VanDerWaalsContact CA-O 3.22Å; P1093-V1116 WeakPolarHBondContact CA-O 3.37Å
1094	G	93.5	Very high	95	Very high	19 Å²	19	17.6 Å²	17.6	20%	0.196	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-175.7	-175.3	0	0	0	0	0	112.9	N1092 T1115 V1116	N1092-G1094 PolarHBondContact O-N 2.94Å; G1094-T1115 WeakPolarHBondContact O-CA 3.18Å; G1094-V1116 PolarHBondContact N-O 2.94Å; G1094-V1116 PolarHBondContact O-N 3.41Å
1095	T	95.9	Very high	95.2	Very high	36 Å²	36	16.3 Å²	16.3	22%	0.221	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115	169.7	-60.1	0	0	0	0	108	Y195 L1113 F1114	Y195-T1095 PolarHBondContact OH-O 2.88Å; T1095-L1113 HydrophobicContact CG2-CB 3.96Å; T1095-L1113 HydrophobicContact CG2-CD1 3.84Å; T1095-L1113 HydrophobicContact CG2-CD2 4.3Å; T1095-L1113 HydrophobicContact CG2-CG 4.26Å; T1095-F1114 WeakPolarHBondContact CA-O 3.32Å
1096	W	97.2	Very high	95.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.3	-165.3	-55.9	114.2	0	0	0	110.6	Y186 K188 E191 Y195 H1059 A1060 N1092 L1113 F1114	Y186-W1096 HydrophobicContact CD2-CZ3 4.25Å; Y186-W1096 HydrophobicContact CE2-CE3 4.44Å; Y186-W1096 HydrophobicContact CE2-CH2 4.39Å; Y186-W1096 AromaticContact CE2-CZ3 3.73Å; Y186-W1096 HydrophobicContact CE2-CZ3 3.73Å; K188-W1096 HydrophobicContact CD-CE3 3.77Å; K188-W1096 HydrophobicContact CD-CH2 3.62Å; K188-W1096 HydrophobicContact CD-CZ2 4.46Å; K188-W1096 HydrophobicContact CD-CZ3 3.2Å; K188-W1096 HydrophobicContact CG-CH2 3.61Å; K188-W1096 HydrophobicContact CG-CZ2 4.25Å; K188-W1096 HydrophobicContact CG-CZ3 3.78Å; E191-W1096 WeakPolarHBondContact OE2-CZ3 3.35Å; Y195-W1096 WeakPolarHBondContact OH-CA 3.44Å; H1059-W1096 HydrophobicContact CB-CB 4.11Å; A1060-W1096 HydrophobicContact CB-CD2 3.61Å; A1060-W1096 HydrophobicContact CB-CE3 3.38Å; A1060-W1096 HydrophobicContact CB-CG 4.38Å; A1060-W1096 HydrophobicContact CB-CH2 3.61Å; A1060-W1096 HydrophobicContact CB-CZ2 3.87Å; A1060-W1096 HydrophobicContact CB-CZ3 3.37Å; N1092-W1096 HydrophobicContact CB-CZ2 4.09Å; N1092-W1096 VanDerWaalsContact CG-CZ2 3.4Å; N1092-W1096 WeakPolarHBondContact ND2-CZ2 3.48Å; N1092-W1096 PolarHBondContact O-NE1 2.78Å; W1096-L1113 WeakPolarHBondContact O-CA 3.48Å; W1096-F1114 HydrophobicContact CB-CD1 4Å; W1096-F1114 HydrophobicContact CB-CD2 4.48Å; W1096-F1114 HydrophobicContact CB-CE1 3.5Å; W1096-F1114 VanDerWaalsContact CB-CE1 3.5Å; W1096-F1114 HydrophobicContact CB-CE2 4.03Å; W1096-F1114 HydrophobicContact CB-CG 4.48Å; W1096-F1114 HydrophobicContact CB-CZ 3.52Å; W1096-F1114 AromaticContact CD1-CE2 3.82Å; W1096-F1114 HydrophobicContact CG-CE2 4.29Å; W1096-F1114 HydrophobicContact CG-CZ 4.09Å; W1096-F1114 PolarHBondContact N-O 3.12Å; W1096-F1114 WeakPolarHBondContact O-CD1 3.38Å; W1096-F1114 PolarHBondContact O-N 3.03Å
1097	L	97.6	Very high	95	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.8	177.8	-170	72.1	0	0	0	111.2	Y195 W806 W810 H1059 H1099 E1111 L1113	Y195-L1097 HydrophobicContact CD1-CB 4.41Å; Y195-L1097 HydrophobicContact CD2-CB 4.46Å; Y195-L1097 HydrophobicContact CE1-CB 4.22Å; Y195-L1097 HydrophobicContact CE2-CB 4.22Å; W806-L1097 HydrophobicContact CH2-CD1 4.23Å; W806-L1097 HydrophobicContact CZ2-CD1 4.26Å; W810-L1097 HydrophobicContact CH2-CD1 4.26Å; W810-L1097 HydrophobicContact CH2-CD2 3.66Å; W810-L1097 HydrophobicContact CZ3-CD1 3.88Å; W810-L1097 HydrophobicContact CZ3-CD2 4.13Å; H1059-L1097 HydrophobicContact CB-CB 4.44Å; H1059-L1097 WeakPolarHBondContact CB-O 3.34Å; H1059-L1097 PolarHBondContact CD2-O 3.35Å; H1059-L1097 VanDerWaalsContact CD2-O 3.32Å; H1059-L1097 PolarHBondContact N-O 2.99Å; L1097-H1099 HydrophobicContact CD2-CB 4.45Å; L1097-H1099 HydrophobicContact CG-CB 4.39Å; L1097-E1111 HydrophobicContact CD1-CB 4.4Å; L1097-L1113 HydrophobicContact CD1-CD2 4.03Å
1098	L	97.8	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	111.1	174.3	-172.5	169.1	0	0	0	107	L977 F979 I1021 W1042 I1056 H1057 F1058 T1112 F1114	L977-L1098 HydrophobicContact CD1-CD1 4.01Å; L977-L1098 HydrophobicContact CD1-CD2 4.03Å; F979-L1098 HydrophobicContact CE1-CD2 4.48Å; F979-L1098 HydrophobicContact CZ-CD2 3.79Å; I1021-L1098 HydrophobicContact CD1-CD2 4.35Å; W1042-L1098 HydrophobicContact CH2-CD1 4.1Å; W1042-L1098 HydrophobicContact CZ3-CD1 4.01Å; I1056-L1098 HydrophobicContact CG2-CD2 3.66Å; I1056-L1098 HydrophobicContact CG2-CG 4.35Å; H1057-L1098 WeakPolarHBondContact O-CA 3.43Å; F1058-L1098 HydrophobicContact CD1-CD1 3.79Å; F1058-L1098 HydrophobicContact CD1-CG 4.18Å; F1058-L1098 HydrophobicContact CE1-CD1 3.43Å; F1058-L1098 VanDerWaalsContact CE1-CD1 3.43Å; F1058-L1098 HydrophobicContact CE1-CG 4.18Å; F1058-L1098 HydrophobicContact CZ-CD1 4.1Å; L1098-T1112 HydrophobicContact CB-CG2 4.18Å; L1098-T1112 HydrophobicContact CD2-CG2 4.24Å; L1098-T1112 PolarHBondContact N-O 3.29Å; L1098-T1112 PolarHBondContact O-N 3.39Å; L1098-F1114 HydrophobicContact CB-CD1 3.99Å; L1098-F1114 HydrophobicContact CB-CE1 4.37Å; L1098-F1114 HydrophobicContact CD1-CD1 4.2Å
1099	H	97.2	Very high	95	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.019	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.4	-169.4	71.9	100.5	0	0	0	111.7	I1056 H1057 H1059 L1097 H1101 E1111	I1056-H1099 CarbonylContact C-O 3.31Å; I1056-H1099 WeakPolarHBondContact CA-O 3.37Å; H1057-H1099 AromaticContact CD2-NE2 3.76Å; H1057-H1099 PolarHBondContact N-O 3.42Å; H1057-H1099 PolarHBondContact O-N 3.21Å; H1059-H1099 AromaticContact CD2-CD2 3.96Å; H1059-H1099 AromaticContact NE2-CD2 3.54Å; H1059-H1099 AromaticContact NE2-NE2 3.44Å; H1059-H1099 PolarHBondContact NE2-NE2 3Å; L1097-H1099 HydrophobicContact CD2-CB 4.45Å; L1097-H1099 HydrophobicContact CG-CB 4.39Å; H1099-H1101 AromaticContact CE1-CD2 3.54Å; H1099-H1101 AromaticContact CE1-CG 3.93Å; H1099-E1111 HydrophobicContact CB-CB 3.75Å
1100	C	97.4	Very high	95.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.7	164	178.3	0	0	0	0	109.6	T1055 H1105 V1106 M1110	T1055-C1100 CarbonylContact O-C 3.44Å; T1055-C1100 WeakPolarHBondContact O-CA 3.39Å; C1100-H1105 HydrophobicContact CB-CB 4.03Å; C1100-H1105 PolarHBondContact SG-ND1 2.87Å; C1100-H1105 VanDerWaalsContact SG-ND1 3.39Å; C1100-V1106 WeakPolarHBondContact O-CG2 3.38Å; C1100-M1110 HydrophobicContact CB-CB 4.43Å; C1100-M1110 HydrophobicContact CB-CG 4.27Å; C1100-M1110 HydrophobicContact CB-SD 3.86Å; C1100-M1110 PolarHBondContact N-O 2.74Å
1101	H	96	Very high	95.2	Very high	9 Å²	9	12.4 Å²	12.4	4%	0.042	8%	0.077	C	C	.	.			trans	-92.1	1	179.4	-137.9	-68.1	0	0	0	113.9	H182 H240 M351 A382 T1055 H1099	H182-H1101 AromaticContact CE1-NE2 3.87Å; H182-H1101 AromaticContact NE2-NE2 3.52Å; H240-H1101 AromaticContact CE1-CE1 3.96Å; H240-H1101 AromaticContact CE1-NE2 3.93Å; H240-H1101 AromaticContact NE2-CE1 3.46Å; H240-H1101 PolarHBondContact NE2-CE1 2.88Å; H240-H1101 AromaticContact NE2-NE2 3.23Å; H240-H1101 PolarHBondContact NE2-NE2 3.3Å; M351-H1101 PolarHBondContact SD-ND1 3.31Å; A382-H1101 HydrophobicContact CB-CB 3.6Å; T1055-H1101 PolarHBondContact O-N 3.1Å; H1099-H1101 AromaticContact CE1-CD2 3.54Å; H1099-H1101 AromaticContact CE1-CG 3.93Å
1102	V	97.3	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-72.5	127.7	168.3	-177.3	0	0	0	0	109.6	E354 P381 L1053 D1104 H1105 V1106	E354-V1102 HydrophobicContact CG-CG1 4.18Å; P381-V1102 HydrophobicContact CB-CG2 4.23Å; P381-V1102 HydrophobicContact CG-CG2 4.06Å; L1053-V1102 HydrophobicContact CD1-CG2 3.76Å; V1102-D1104 PolarHBondContact O-N 3.34Å; V1102-H1105 HydrophobicContact CB-CB 4.24Å; V1102-H1105 WeakPolarHBondContact CB-ND1 3.29Å; V1102-H1105 WeakPolarHBondContact O-CB 2.99Å; V1102-H1105 PolarHBondContact O-N 2.71Å; V1102-V1106 PolarHBondContact O-N 3.18Å
1103	T	94.9	Very high	95.9	Very high	9 Å²	9	12.4 Å²	12.4	6%	0.055	8%	0.075	C	C	.	.	H	α-helix	trans	-49.8	-60	-171.7	-69.8	0	0	0	0	114.7	P246 L291 G352 N353 H1105 V1106 H1107	P246-T1103 HydrophobicContact CB-CG2 3.54Å; P246-T1103 HydrophobicContact CG-CG2 4.06Å; L291-T1103 HydrophobicContact CD1-CG2 3.78Å; G352-T1103 WeakPolarHBondContact O-CB 3.43Å; G352-T1103 PolarHBondContact O-N 3.11Å; G352-T1103 VanDerWaalsContact O-N 3.1Å; G352-T1103 PolarHBondContact O-OG1 2.8Å; N353-T1103 WeakPolarHBondContact OD1-CB 3.16Å; T1103-H1105 VanDerWaalsContact C-N 3.25Å; T1103-H1105 PolarHBondContact O-N 3.2Å; T1103-V1106 WeakPolarHBondContact O-CB 3.48Å; T1103-V1106 PolarHBondContact O-N 2.85Å; T1103-H1107 PolarHBondContact O-N 2.75Å; T1103-H1107 VanDerWaalsContact O-N 3.13Å
1104	D	94.4	Very high	96	Very high	63 Å²	63	9.9 Å²	9.9	34%	0.337	6%	0.059	S	C	.	.	H	α-helix	trans	-66.3	-33.2	-173.3	-67	-10.2	0	0	0	111.2	N353 V1102 V1106 H1107 A1108	N353-D1104 PolarHBondContact ND2-OD1 2.92Å; N353-D1104 PolarHBondContact ND2-OD2 2.67Å; N353-D1104 WeakPolarHBondContact OD1-CB 3.33Å; N353-D1104 PolarHBondContact OD1-N 3.43Å; N353-D1104 PolarHBondContact OD1-OD1 2.83Å; N353-D1104 PolarHBondContact OD1-OD2 3.1Å; V1102-D1104 PolarHBondContact O-N 3.34Å; D1104-V1106 VanDerWaalsContact C-N 3.32Å; D1104-V1106 PolarHBondContact O-N 2.95Å; D1104-H1107 PolarHBondContact O-N 3.15Å; D1104-A1108 WeakPolarHBondContact O-CB 3.42Å; D1104-A1108 PolarHBondContact O-N 2.62Å
1105	H	96.8	Very high	96.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.7	-35.3	175.2	-56.4	168.4	0	0	0	112.1	E354 H1019 V1051 L1053 H1054 C1100 V1102 T1103 G1109 M1110	E354-H1105 IonicContact OE1-CD2 3.65Å; E354-H1105 IonicContact OE1-NE2 3.31Å; E354-H1105 PolarHBondContact OE1-NE2 3.07Å; H1019-H1105 AromaticContact CD2-CD2 3.59Å; H1019-H1105 AromaticContact NE2-CD2 3.99Å; V1051-H1105 PolarHBondContact O-CE1 3.31Å; L1053-H1105 PolarHBondContact O-CE1 3.31Å; L1053-H1105 PolarHBondContact O-ND1 2.91Å; H1054-H1105 AromaticContact CE1-CE1 3.83Å; H1054-H1105 AromaticContact CE1-ND1 3.94Å; H1054-H1105 AromaticContact ND1-CE1 3.49Å; H1054-H1105 PolarHBondContact ND1-CE1 3.38Å; H1054-H1105 AromaticContact ND1-ND1 3.31Å; H1054-H1105 PolarHBondContact ND1-ND1 2.81Å; C1100-H1105 HydrophobicContact CB-CB 4.03Å; C1100-H1105 PolarHBondContact SG-ND1 2.87Å; C1100-H1105 VanDerWaalsContact SG-ND1 3.39Å; V1102-H1105 HydrophobicContact CB-CB 4.24Å; V1102-H1105 WeakPolarHBondContact CB-ND1 3.29Å; V1102-H1105 WeakPolarHBondContact O-CB 2.99Å; V1102-H1105 PolarHBondContact O-N 2.71Å; T1103-H1105 VanDerWaalsContact C-N 3.25Å; T1103-H1105 PolarHBondContact O-N 3.2Å; H1105-G1109 PolarHBondContact O-N 3.08Å; H1105-M1110 HydrophobicContact CB-CB 4.15Å; H1105-M1110 HydrophobicContact CB-CE 4.46Å; H1105-M1110 HydrophobicContact CB-SD 4.15Å; H1105-M1110 WeakPolarHBondContact O-CA 3.22Å; H1105-M1110 WeakPolarHBondContact O-CB 2.98Å; H1105-M1110 PolarHBondContact O-N 2.71Å
1106	V	94	Very high	96.1	Very high	18 Å²	18	8.9 Å²	8.9	11%	0.109	5%	0.049	C	C	.	.	H	α-helix	trans	-66.9	-54.5	172.3	178.2	0	0	0	0	110.3	C1100 V1102 T1103 D1104 A1108 G1109	C1100-V1106 WeakPolarHBondContact O-CG2 3.38Å; V1102-V1106 PolarHBondContact O-N 3.18Å; T1103-V1106 WeakPolarHBondContact O-CB 3.48Å; T1103-V1106 PolarHBondContact O-N 2.85Å; D1104-V1106 VanDerWaalsContact C-N 3.32Å; D1104-V1106 PolarHBondContact O-N 2.95Å; V1106-A1108 PolarHBondContact O-N 3.28Å; V1106-G1109 WeakPolarHBondContact O-CA 3.23Å; V1106-G1109 PolarHBondContact O-N 2.73Å
1107	H	93.3	Very high	95.9	Very high	15 Å²	15	12.4 Å²	12.4	7%	0.069	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-31.4	-175.7	-71.8	168.4	0	0	0	112.2	D244 Y819 Y1026 T1103 D1104 G1109	D244-H1107 IonicContact OD1-CD2 3.45Å; D244-H1107 IonicContact OD1-CE1 3.64Å; D244-H1107 IonicContact OD1-NE2 2.88Å; D244-H1107 PolarHBondContact OD1-NE2 2.94Å; D244-H1107 IonicContact OD2-NE2 2.79Å; Y819-H1107 WeakPolarHBondContact CB-O 3.34Å; Y819-H1107 HydrophobicContact CD1-CB 3.97Å; Y819-H1107 HydrophobicContact CD2-CB 4.15Å; Y819-H1107 AromaticContact CD2-CD2 3.89Å; Y819-H1107 HydrophobicContact CE1-CB 4.45Å; Y819-H1107 AromaticContact CE1-CE1 3.95Å; Y819-H1107 AromaticContact CE1-CG 3.98Å; Y819-H1107 AromaticContact CE1-ND1 3.69Å; Y819-H1107 AromaticContact CE2-CD2 3.63Å; Y819-H1107 AromaticContact CE2-CG 3.97Å; Y819-H1107 AromaticContact CE2-NE2 3.75Å; Y819-H1107 HydrophobicContact CG-CB 3.81Å; Y819-H1107 AromaticContact CZ-CD2 3.9Å; Y819-H1107 AromaticContact CZ-CE1 3.63Å; Y819-H1107 AromaticContact CZ-CG 3.96Å; Y819-H1107 AromaticContact CZ-ND1 3.8Å; Y819-H1107 AromaticContact CZ-NE2 3.68Å; Y1026-H1107 PolarHBondContact OH-O 3.2Å; T1103-H1107 PolarHBondContact O-N 2.75Å; T1103-H1107 VanDerWaalsContact O-N 3.13Å; D1104-H1107 PolarHBondContact O-N 3.15Å; H1107-G1109 VanDerWaalsContact C-N 3.3Å; H1107-G1109 PolarHBondContact O-N 3.45Å
1108	A	95.1	Very high	95.5	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.025	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.7	171.9	0	0	0	0	0	115.2	F823 H1019 L1025 Y1026 D1104 V1106	F823-A1108 HydrophobicContact CD2-CB 4.13Å; F823-A1108 HydrophobicContact CE1-CB 4.41Å; F823-A1108 HydrophobicContact CE2-CB 3.41Å; F823-A1108 VanDerWaalsContact CE2-CB 3.41Å; F823-A1108 HydrophobicContact CZ-CB 3.58Å; H1019-A1108 HydrophobicContact CB-CB 3.57Å; H1019-A1108 WeakPolarHBondContact ND1-CB 3.38Å; L1025-A1108 WeakPolarHBondContact CD2-O 3.38Å; Y1026-A1108 VanDerWaalsContact OH-C 3.23Å; Y1026-A1108 WeakPolarHBondContact OH-CA 3.23Å; Y1026-A1108 PolarHBondContact OH-O 3.34Å; D1104-A1108 WeakPolarHBondContact O-CB 3.42Å; D1104-A1108 PolarHBondContact O-N 2.62Å; V1106-A1108 PolarHBondContact O-N 3.28Å
1109	G	94.6	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	23.1	167	0	0	0	0	0	116.6	L1025 Y1026 H1105 V1106 H1107 E1111	L1025-G1109 CarbonylContact C-O 3.46Å; L1025-G1109 VanDerWaalsContact CA-O 3.26Å; L1025-G1109 WeakPolarHBondContact CA-O 3.36Å; Y1026-G1109 VanDerWaalsContact CZ-CA 3.5Å; Y1026-G1109 PolarHBondContact N-O 2.84Å; H1105-G1109 PolarHBondContact O-N 3.08Å; V1106-G1109 WeakPolarHBondContact O-CA 3.23Å; V1106-G1109 PolarHBondContact O-N 2.73Å; H1107-G1109 VanDerWaalsContact C-N 3.3Å; H1107-G1109 PolarHBondContact O-N 3.45Å; G1109-E1111 PolarHBondContact O-N 3.16Å
1110	M	97.6	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-76.8	60.7	176.3	-163.1	-178.6	-76.3	0	0	112.1	F979 I981 H1019 I1021 C1100 H1105	F979-M1110 HydrophobicContact CB-SD 4.34Å; F979-M1110 HydrophobicContact CD1-CG 4Å; F979-M1110 HydrophobicContact CD1-SD 3.81Å; I981-M1110 HydrophobicContact CG1-CE 3.87Å; H1019-M1110 HydrophobicContact CB-CB 4.47Å; H1019-M1110 HydrophobicContact CB-CE 4.12Å; I1021-M1110 HydrophobicContact CG1-CG 3.84Å; C1100-M1110 HydrophobicContact CB-CB 4.43Å; C1100-M1110 HydrophobicContact CB-CG 4.27Å; C1100-M1110 HydrophobicContact CB-SD 3.86Å; C1100-M1110 PolarHBondContact N-O 2.74Å; H1105-M1110 HydrophobicContact CB-CB 4.15Å; H1105-M1110 HydrophobicContact CB-CE 4.46Å; H1105-M1110 HydrophobicContact CB-SD 4.15Å; H1105-M1110 WeakPolarHBondContact O-CA 3.22Å; H1105-M1110 WeakPolarHBondContact O-CB 2.98Å; H1105-M1110 PolarHBondContact O-N 2.71Å
1111	E	95.3	Very high	91	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.9	-171.3	64.1	-174.3	160.5	0	0	112.9	W806 W810 Y1026 A1027 L1097 H1099 G1109	W806-E1111 HydrophobicContact CH2-CG 3.84Å; W806-E1111 HydrophobicContact CZ3-CG 3.92Å; W806-E1111 WeakPolarHBondContact CZ3-OE1 3.16Å; W810-E1111 WeakPolarHBondContact CH2-OE2 3.26Å; W810-E1111 WeakPolarHBondContact CZ3-OE2 3.3Å; Y1026-E1111 WeakPolarHBondContact CD1-OE1 3.43Å; A1027-E1111 PolarHBondContact N-O 3.28Å; L1097-E1111 HydrophobicContact CD1-CB 4.4Å; H1099-E1111 HydrophobicContact CB-CB 3.75Å; G1109-E1111 PolarHBondContact O-N 3.16Å
1112	T	96.9	Very high	89	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	171.4	178.9	-168.4	0	0	0	0	112.8	I1021 L1032 L1098	I1021-T1112 HydrophobicContact CD1-CG2 3.81Å; L1032-T1112 HydrophobicContact CD1-CG2 3.84Å; L1098-T1112 HydrophobicContact CB-CG2 4.18Å; L1098-T1112 HydrophobicContact CD2-CG2 4.24Å; L1098-T1112 PolarHBondContact N-O 3.29Å; L1098-T1112 PolarHBondContact O-N 3.39Å
1113	L	96.9	Very high	86.9	Confident	27 Å²	27	38.5 Å²	38.5	14%	0.141	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.3	175.2	-58.1	176.5	0	0	0	111.6	Y195 W806 A1027 T1095 W1096 L1097	Y195-L1113 HydrophobicContact CD2-CD2 3.7Å; Y195-L1113 HydrophobicContact CE2-CD2 3.6Å; W806-L1113 HydrophobicContact CZ2-CD2 4.18Å; W806-L1113 HydrophobicContact CZ2-CG 4.31Å; A1027-L1113 HydrophobicContact CB-CD1 4.37Å; A1027-L1113 HydrophobicContact CB-CG 4.04Å; T1095-L1113 HydrophobicContact CG2-CB 3.96Å; T1095-L1113 HydrophobicContact CG2-CD1 3.84Å; T1095-L1113 HydrophobicContact CG2-CD2 4.3Å; T1095-L1113 HydrophobicContact CG2-CG 4.26Å; W1096-L1113 WeakPolarHBondContact O-CA 3.48Å; L1097-L1113 HydrophobicContact CD1-CD2 4.03Å
1114	F	96.6	Very high	84.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.5	161	71.5	-82.8	0	0	0	110.8	L1032 M1034 W1042 F1058 H1059 E1061 M1088 T1095 W1096 L1098 V1116	L1032-F1114 HydrophobicContact CB-CB 3.92Å; L1032-F1114 WeakPolarHBondContact O-CA 3.5Å; M1034-F1114 HydrophobicContact CE-CB 4.06Å; M1034-F1114 HydrophobicContact CE-CD2 3.7Å; M1034-F1114 HydrophobicContact CE-CG 4.28Å; M1034-F1114 HydrophobicContact SD-CD2 4.27Å; W1042-F1114 HydrophobicContact CH2-CB 4.41Å; F1058-F1114 HydrophobicContact CD1-CE1 4.01Å; F1058-F1114 HydrophobicContact CD1-CZ 4.26Å; H1059-F1114 WeakPolarHBondContact O-CZ 3.37Å; E1061-F1114 HydrophobicContact CB-CZ 4.45Å; E1061-F1114 HydrophobicContact CG-CE2 4.14Å; E1061-F1114 HydrophobicContact CG-CZ 4.15Å; M1088-F1114 HydrophobicContact CE-CE2 4.37Å; T1095-F1114 WeakPolarHBondContact CA-O 3.32Å; W1096-F1114 HydrophobicContact CB-CD1 4Å; W1096-F1114 HydrophobicContact CB-CD2 4.48Å; W1096-F1114 HydrophobicContact CB-CE1 3.5Å; W1096-F1114 VanDerWaalsContact CB-CE1 3.5Å; W1096-F1114 HydrophobicContact CB-CE2 4.03Å; W1096-F1114 HydrophobicContact CB-CG 4.48Å; W1096-F1114 HydrophobicContact CB-CZ 3.52Å; W1096-F1114 AromaticContact CD1-CE2 3.82Å; W1096-F1114 HydrophobicContact CG-CE2 4.29Å; W1096-F1114 HydrophobicContact CG-CZ 4.09Å; W1096-F1114 PolarHBondContact N-O 3.12Å; W1096-F1114 WeakPolarHBondContact O-CD1 3.38Å; W1096-F1114 PolarHBondContact O-N 3.03Å; L1098-F1114 HydrophobicContact CB-CD1 3.99Å; L1098-F1114 HydrophobicContact CB-CE1 4.37Å; L1098-F1114 HydrophobicContact CD1-CD1 4.2Å; F1114-V1116 HydrophobicContact CD2-CG2 4.04Å; F1114-V1116 HydrophobicContact CE2-CG2 3.9Å
1115	T	95.9	Very high	83	Confident	31 Å²	31	41 Å²	41	19%	0.19	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.3	-178.3	-52.9	0	0	0	0	111.3	L1032 T1033 M1034 G1094 F1117	L1032-T1115 PolarHBondContact O-N 3.49Å; T1033-T1115 WeakPolarHBondContact CA-O 3.34Å; M1034-T1115 PolarHBondContact N-O 3.22Å; G1094-T1115 WeakPolarHBondContact O-CA 3.18Å; T1115-F1117 HydrophobicContact CG2-CD1 4.2Å; T1115-F1117 HydrophobicContact CG2-CD2 4.36Å; T1115-F1117 HydrophobicContact CG2-CE1 3.8Å; T1115-F1117 HydrophobicContact CG2-CE2 3.98Å; T1115-F1117 HydrophobicContact CG2-CG 4.46Å; T1115-F1117 HydrophobicContact CG2-CZ 3.68Å
1116	V	95.5	Very high	81.2	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.9	172.4	-177.5	0	0	0	0	108.4	M1034 Q1036 A1090 N1092 P1093 G1094 F1114	M1034-V1116 HydrophobicContact CG-CB 4.38Å; M1034-V1116 HydrophobicContact CG-CG2 3.83Å; M1034-V1116 WeakPolarHBondContact O-CA 3.37Å; M1034-V1116 HydrophobicContact SD-CG2 4.11Å; Q1036-V1116 HydrophobicContact CB-CG1 4.39Å; A1090-V1116 HydrophobicContact CB-CG1 4.06Å; A1090-V1116 HydrophobicContact CB-CG2 4.3Å; N1092-V1116 VanDerWaalsContact O-CB 3.28Å; N1092-V1116 WeakPolarHBondContact O-CB 3.49Å; P1093-V1116 CarbonylContact C-O 3.45Å; P1093-V1116 VanDerWaalsContact CA-O 3.22Å; P1093-V1116 WeakPolarHBondContact CA-O 3.37Å; G1094-V1116 PolarHBondContact N-O 2.94Å; G1094-V1116 PolarHBondContact O-N 3.41Å; F1114-V1116 HydrophobicContact CD2-CG2 4.04Å; F1114-V1116 HydrophobicContact CE2-CG2 3.9Å
1117	F	93.8	Very high	79.1	Confident	73 Å²	73	47 Å²	47	32%	0.32	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	150.4	177.2	-68	-70.4	0	0	0	112.1	T1033 M1034 Y1035 Q1036 T1115	T1033-F1117 HydrophobicContact CG2-CE2 4Å; M1034-F1117 PolarHBondContact O-N 3.36Å; Y1035-F1117 WeakPolarHBondContact CA-O 3.09Å; Y1035-F1117 HydrophobicContact CD1-CB 3.49Å; Y1035-F1117 VanDerWaalsContact CD1-CB 3.49Å; Y1035-F1117 HydrophobicContact CD1-CG 4.47Å; Y1035-F1117 HydrophobicContact CE1-CB 3.62Å; Y1035-F1117 HydrophobicContact CE1-CD2 4.27Å; Y1035-F1117 HydrophobicContact CE1-CG 4.21Å; Y1035-F1117 HydrophobicContact CG-CB 4.39Å; Q1036-F1117 PolarHBondContact N-O 3.16Å; T1115-F1117 HydrophobicContact CG2-CD1 4.2Å; T1115-F1117 HydrophobicContact CG2-CD2 4.36Å; T1115-F1117 HydrophobicContact CG2-CE1 3.8Å; T1115-F1117 HydrophobicContact CG2-CE2 3.98Å; T1115-F1117 HydrophobicContact CG2-CG 4.46Å; T1115-F1117 HydrophobicContact CG2-CZ 3.68Å
1118	S	89.2	Confident	76.9	Confident	25 Å²	25	49.9 Å²	49.9	18%	0.175	26%	0.264	C	S	.	.			trans	-70.8	151.7	176.9	77.5	0	0	0	0	111.9	T1120 E1121 H1122	S1118-T1120 PolarHBondContact O-N 3.22Å; S1118-E1121 WeakPolarHBondContact CA-OE2 3.31Å; S1118-E1121 WeakPolarHBondContact CB-OE2 3.48Å; S1118-E1121 PolarHBondContact N-OE2 3.35Å; S1118-E1121 PolarHBondContact O-N 3.29Å; S1118-E1121 VanDerWaalsContact O-N 3.15Å; S1118-E1121 VanDerWaalsContact OG-CD 3.3Å; S1118-E1121 WeakPolarHBondContact OG-CG 3.42Å; S1118-E1121 PolarHBondContact OG-N 3Å; S1118-E1121 PolarHBondContact OG-OE2 3.36Å; S1118-H1122 PolarHBondContact O-N 2.89Å; S1118-H1122 VanDerWaalsContact O-N 3.13Å
1119	R	74.4	Confident	75	Confident	174 Å²	174	54.7 Å²	54.7	66%	0.657	29%	0.288	S	S	*	.	H	α-helix	trans	-64	-20.8	175.6	-163.1	172	-173.2	166.7	7.8	113.3	L1123	R1119-L1123 PolarHBondContact O-N 2.93Å
1120	T	62.5	Low	72.9	Confident	111 Å²	111	57.9 Å²	57.9	68%	0.681	31%	0.308	S	S	*	.	H	α-helix	trans	-72.7	-40.2	175.1	-51.2	0	0	0	0	111.4	S1118 L1123 S1124	S1118-T1120 PolarHBondContact O-N 3.22Å; T1120-L1123 PolarHBondContact O-N 3.34Å; T1120-S1124 PolarHBondContact O-N 3.12Å
1121	E	60.6	Low	70.4	Confident	88 Å²	88	63.6 Å²	63.6	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-39.5	174.8	-69.1	157.5	126.5	0	0	111.4	S1118 L1123 S1124 T1125	S1118-E1121 WeakPolarHBondContact CA-OE2 3.31Å; S1118-E1121 WeakPolarHBondContact CB-OE2 3.48Å; S1118-E1121 PolarHBondContact N-OE2 3.35Å; S1118-E1121 PolarHBondContact O-N 3.29Å; S1118-E1121 VanDerWaalsContact O-N 3.15Å; S1118-E1121 VanDerWaalsContact OG-CD 3.3Å; S1118-E1121 WeakPolarHBondContact OG-CG 3.42Å; S1118-E1121 PolarHBondContact OG-N 3Å; S1118-E1121 PolarHBondContact OG-OE2 3.36Å; E1121-L1123 VanDerWaalsContact C-N 3.28Å; E1121-L1123 PolarHBondContact O-N 3.39Å; E1121-S1124 WeakPolarHBondContact CA-OG 3.4Å; E1121-S1124 PolarHBondContact O-N 3.29Å; E1121-S1124 VanDerWaalsContact O-N 3.09Å; E1121-S1124 PolarHBondContact O-OG 3.5Å; E1121-T1125 WeakPolarHBondContact O-CB 3.34Å; E1121-T1125 PolarHBondContact O-N 3.5Å; E1121-T1125 PolarHBondContact O-OG1 3.42Å; E1121-T1125 VanDerWaalsContact O-OG1 3.07Å
1122	H	52.6	Low	68.3	Low	59 Å²	59	69.4 Å²	69.4	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-52.2	-47.7	172	-168.5	90.1	0	0	0	111.9	Y1035 S1118 I1126	Y1035-H1122 HydrophobicContact CD1-CB 3.51Å; Y1035-H1122 AromaticContact CD1-CG 3.8Å; Y1035-H1122 AromaticContact CD1-ND1 3.34Å; Y1035-H1122 VanDerWaalsContact CD1-ND1 3.34Å; Y1035-H1122 WeakPolarHBondContact CD1-ND1 3.4Å; Y1035-H1122 AromaticContact CD2-CE1 3.86Å; Y1035-H1122 AromaticContact CD2-ND1 3.26Å; Y1035-H1122 VanDerWaalsContact CD2-ND1 3.26Å; Y1035-H1122 WeakPolarHBondContact CD2-ND1 3.5Å; Y1035-H1122 HydrophobicContact CE1-CB 3.69Å; Y1035-H1122 AromaticContact CE1-CG 3.94Å; Y1035-H1122 AromaticContact CE1-ND1 3.43Å; Y1035-H1122 WeakPolarHBondContact CE1-ND1 3.42Å; Y1035-H1122 AromaticContact CE2-CE1 3.99Å; Y1035-H1122 AromaticContact CE2-ND1 3.37Å; Y1035-H1122 WeakPolarHBondContact CE2-ND1 3.31Å; Y1035-H1122 HydrophobicContact CG-CB 4.19Å; Y1035-H1122 AromaticContact CG-ND1 3.25Å; Y1035-H1122 AromaticContact CZ-ND1 3.46Å; S1118-H1122 PolarHBondContact O-N 2.89Å; S1118-H1122 VanDerWaalsContact O-N 3.13Å; H1122-I1126 WeakPolarHBondContact NE2-CD1 3.41Å; H1122-I1126 WeakPolarHBondContact O-CB 3.4Å; H1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; H1122-I1126 PolarHBondContact O-N 2.88Å
1123	L	54.2	Low	65.8	Low	106 Å²	106	71.9 Å²	71.9	56%	0.555	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-36.9	176.4	-76.7	164.2	0	0	0	113.1	R1119 T1120 E1121 T1127	R1119-L1123 PolarHBondContact O-N 2.93Å; T1120-L1123 PolarHBondContact O-N 3.34Å; E1121-L1123 VanDerWaalsContact C-N 3.28Å; E1121-L1123 PolarHBondContact O-N 3.39Å; L1123-T1127 VanDerWaalsContact O-CB 3.25Å; L1123-T1127 WeakPolarHBondContact O-CB 3.37Å; L1123-T1127 PolarHBondContact O-N 2.93Å; L1123-T1127 PolarHBondContact O-OG1 3.4Å
1124	S	52.6	Low	63.3	Low	63 Å²	63	77.7 Å²	77.7	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-39.1	178	78.5	0	0	0	0	112.3	T1120 E1121 T1127 T1128	T1120-S1124 PolarHBondContact O-N 3.12Å; E1121-S1124 WeakPolarHBondContact CA-OG 3.4Å; E1121-S1124 PolarHBondContact O-N 3.29Å; E1121-S1124 VanDerWaalsContact O-N 3.09Å; E1121-S1124 PolarHBondContact O-OG 3.5Å; S1124-T1127 PolarHBondContact O-N 3Å; S1124-T1128 WeakPolarHBondContact O-CB 3.41Å; S1124-T1128 PolarHBondContact O-N 2.98Å; S1124-T1128 PolarHBondContact O-OG1 3.08Å
1125	T	55.4	Low	60.9	Low	60 Å²	60	86 Å²	86	37%	0.368	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-48.7	174.4	-61	0	0	0	0	110.7	E1121 T1127 T1128 I1129	E1121-T1125 WeakPolarHBondContact O-CB 3.34Å; E1121-T1125 PolarHBondContact O-N 3.5Å; E1121-T1125 PolarHBondContact O-OG1 3.42Å; E1121-T1125 VanDerWaalsContact O-OG1 3.07Å; T1125-T1127 VanDerWaalsContact C-N 3.33Å; T1125-T1127 PolarHBondContact O-N 3.44Å; T1125-T1128 PolarHBondContact O-N 3.27Å; T1125-T1128 VanDerWaalsContact O-N 3.07Å; T1125-I1129 HydrophobicContact CG2-CD1 3.91Å; T1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; T1125-I1129 PolarHBondContact O-N 3.41Å
1126	I	59.2	Low	58.3	Low	80 Å²	80	88.5 Å²	88.5	41%	0.41	47%	0.467	S	S	.	.	H	α-helix	trans	-57.9	-45.7	173.3	-72.2	172.7	0	0	0	111	H1122 T1128 I1129 T1130	H1122-I1126 WeakPolarHBondContact NE2-CD1 3.41Å; H1122-I1126 WeakPolarHBondContact O-CB 3.4Å; H1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; H1122-I1126 PolarHBondContact O-N 2.88Å; I1126-T1128 PolarHBondContact O-N 2.87Å; I1126-I1129 PolarHBondContact O-N 3.33Å; I1126-T1130 HydrophobicContact CG2-CG2 4.37Å; I1126-T1130 WeakPolarHBondContact O-CG2 3.29Å; I1126-T1130 PolarHBondContact O-N 2.73Å; I1126-T1130 PolarHBondContact O-OG1 3.19Å; I1126-T1130 VanDerWaalsContact O-OG1 3.09Å
1127	T	48.5	Very low	55.3	Low	64 Å²	64	93.6 Å²	93.6	39%	0.393	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-25	178.6	-58.9	0	0	0	0	112.7	L1123 S1124 T1125 T1130 K1131	L1123-T1127 VanDerWaalsContact O-CB 3.25Å; L1123-T1127 WeakPolarHBondContact O-CB 3.37Å; L1123-T1127 PolarHBondContact O-N 2.93Å; L1123-T1127 PolarHBondContact O-OG1 3.4Å; S1124-T1127 PolarHBondContact O-N 3Å; T1125-T1127 VanDerWaalsContact C-N 3.33Å; T1125-T1127 PolarHBondContact O-N 3.44Å; T1127-T1130 WeakPolarHBondContact CA-OG1 3.49Å; T1127-T1130 PolarHBondContact O-OG1 3.03Å; T1127-K1131 HydrophobicContact CG2-CD 4.42Å; T1127-K1131 WeakPolarHBondContact O-CB 3.38Å; T1127-K1131 WeakPolarHBondContact O-CD 3.46Å; T1127-K1131 WeakPolarHBondContact O-CG 3.39Å; T1127-K1131 PolarHBondContact O-N 2.92Å
1128	T	47.9	Very low	52.4	Low	76 Å²	76	96.4 Å²	96.4	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-81.3	-47.9	176.6	-56.9	0	0	0	0	110.2	S1124 T1125 I1126 T1130 K1131 E1132	S1124-T1128 WeakPolarHBondContact O-CB 3.41Å; S1124-T1128 PolarHBondContact O-N 2.98Å; S1124-T1128 PolarHBondContact O-OG1 3.08Å; T1125-T1128 PolarHBondContact O-N 3.27Å; T1125-T1128 VanDerWaalsContact O-N 3.07Å; I1126-T1128 PolarHBondContact O-N 2.87Å; T1128-T1130 VanDerWaalsContact C-N 3.32Å; T1128-T1130 PolarHBondContact O-N 3.38Å; T1128-K1131 WeakPolarHBondContact O-CB 3.48Å; T1128-K1131 PolarHBondContact O-N 3.4Å; T1128-K1131 VanDerWaalsContact O-N 3.11Å; T1128-E1132 PolarHBondContact O-N 3.39Å
1129	I	54.5	Low	49.7	Very low	105 Å²	105	101.1 Å²	101.1	54%	0.538	55%	0.552	S	S	.	*	H	α-helix	trans	-57.9	-43.3	175	-66.5	166.9	0	0	0	111	T1125 I1126 E1132 A1133	T1125-I1129 HydrophobicContact CG2-CD1 3.91Å; T1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; T1125-I1129 PolarHBondContact O-N 3.41Å; I1126-I1129 PolarHBondContact O-N 3.33Å; I1129-E1132 PolarHBondContact O-N 3.18Å; I1129-A1133 WeakPolarHBondContact O-CB 3.42Å; I1129-A1133 PolarHBondContact O-N 3.46Å
1130	T	50.3	Low	47.5	Very low	67 Å²	67	103.3 Å²	103.3	41%	0.411	56%	0.56	S	S	.	*	H	α-helix	trans	-66.5	-37.2	176.4	55.4	0	0	0	0	112.4	I1126 T1127 T1128 E1132 A1133 E1134	I1126-T1130 HydrophobicContact CG2-CG2 4.37Å; I1126-T1130 WeakPolarHBondContact O-CG2 3.29Å; I1126-T1130 PolarHBondContact O-N 2.73Å; I1126-T1130 PolarHBondContact O-OG1 3.19Å; I1126-T1130 VanDerWaalsContact O-OG1 3.09Å; T1127-T1130 WeakPolarHBondContact CA-OG1 3.49Å; T1127-T1130 PolarHBondContact O-OG1 3.03Å; T1128-T1130 VanDerWaalsContact C-N 3.32Å; T1128-T1130 PolarHBondContact O-N 3.38Å; T1130-E1132 VanDerWaalsContact C-N 3.29Å; T1130-E1132 PolarHBondContact O-N 3.3Å; T1130-A1133 PolarHBondContact O-N 3.25Å; T1130-E1134 WeakPolarHBondContact O-CB 3.4Å; T1130-E1134 WeakPolarHBondContact O-CG 3.46Å; T1130-E1134 PolarHBondContact O-N 2.9Å
1131	K	46.5	Very low	46.1	Very low	120 Å²	120	105.3 Å²	105.3	52%	0.522	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-26	173.7	-80.4	172.9	-177.8	169.2	0	113.9	T1127 T1128 K1135	T1127-K1131 HydrophobicContact CG2-CD 4.42Å; T1127-K1131 WeakPolarHBondContact O-CB 3.38Å; T1127-K1131 WeakPolarHBondContact O-CD 3.46Å; T1127-K1131 WeakPolarHBondContact O-CG 3.39Å; T1127-K1131 PolarHBondContact O-N 2.92Å; T1128-K1131 WeakPolarHBondContact O-CB 3.48Å; T1128-K1131 PolarHBondContact O-N 3.4Å; T1128-K1131 VanDerWaalsContact O-N 3.11Å; K1131-K1135 WeakPolarHBondContact O-CG 3.25Å; K1131-K1135 PolarHBondContact O-N 3.28Å
1132	E	49.3	Very low	44.8	Very low	124 Å²	124	109.1 Å²	109.1	58%	0.579	59%	0.588	S	S	*	*	H	α-helix	trans	-82.1	-37.5	173.3	-66.2	-165.4	144.1	0	0	111.6	T1128 I1129 T1130 K1135 A1136	T1128-E1132 PolarHBondContact O-N 3.39Å; I1129-E1132 PolarHBondContact O-N 3.18Å; T1130-E1132 VanDerWaalsContact C-N 3.29Å; T1130-E1132 PolarHBondContact O-N 3.3Å; E1132-K1135 PolarHBondContact O-N 3.42Å; E1132-A1136 PolarHBondContact O-N 3Å
1133	A	44.6	Very low	43.9	Very low	54 Å²	54	115.1 Å²	115.1	45%	0.446	62%	0.616	S	S	.	*	H	α-helix	trans	-62	-42.5	169.7	0	0	0	0	0	112.5	I1129 T1130 K1135 A1136	I1129-A1133 WeakPolarHBondContact O-CB 3.42Å; I1129-A1133 PolarHBondContact O-N 3.46Å; T1130-A1133 PolarHBondContact O-N 3.25Å; A1133-K1135 VanDerWaalsContact C-N 3.26Å; A1133-K1135 PolarHBondContact O-N 3.23Å; A1133-A1136 WeakPolarHBondContact O-CB 3.49Å; A1133-A1136 PolarHBondContact O-N 2.98Å
1134	E	44.8	Very low	43.4	Very low	149 Å²	149	119 Å²	119	70%	0.696	63%	0.632	S	S	*	*	H	α-helix	trans	-63	-29.5	175.1	-78.2	-178	157	0	0	112.9	T1130 A1136	T1130-E1134 WeakPolarHBondContact O-CB 3.4Å; T1130-E1134 WeakPolarHBondContact O-CG 3.46Å; T1130-E1134 PolarHBondContact O-N 2.9Å; E1134-A1136 VanDerWaalsContact C-N 3.3Å
1135	K	46.6	Very low	42.9	Very low	173 Å²	173	118 Å²	118	75%	0.752	63%	0.631	S	S	*	*	H	α-helix	trans	-74.2	-18.9	172.3	-75.5	170.9	-176	170.9	0	113.4	K1131 E1132 A1133	K1131-K1135 WeakPolarHBondContact O-CG 3.25Å; K1131-K1135 PolarHBondContact O-N 3.28Å; E1132-K1135 PolarHBondContact O-N 3.42Å; A1133-K1135 VanDerWaalsContact C-N 3.26Å; A1133-K1135 PolarHBondContact O-N 3.23Å
1136	A	40.5	Very low	42.4	Very low	85 Å²	85	119.6 Å²	119.6	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-89.7	-9.9	-174.2	0	0	0	0	0	114.2	E1132 A1133 E1134	E1132-A1136 PolarHBondContact O-N 3Å; A1133-A1136 WeakPolarHBondContact O-CB 3.49Å; A1133-A1136 PolarHBondContact O-N 2.98Å; E1134-A1136 VanDerWaalsContact C-N 3.3Å
1137	V	32.5	Very low	42.1	Very low	110 Å²	110	119.1 Å²	119.1	67%	0.667	64%	0.637	S	S	*	*			trans	-113.7	121.1	-173.5	-177.7	0	0	0	0	111.4
1138	T	33.9	Very low	41.8	Very low	131 Å²	131	123.5 Å²	123.5	80%	0.804	65%	0.651	S	S	*	*			trans	-83.2	134.5	169.3	46.8	0	0	0	0	110.7	R1140	T1138-R1140 PolarHBondContact O-N 3.07Å
1139	P	31.8	Very low	41.8	Very low	125 Å²	125	124.9 Å²	124.9	81%	0.812	65%	0.653	S	S	*	*			trans	-80.6	113.1	-167.3	29.8	-35.1	0	0	0	112.8
1140	R	29.7	Very low	41.5	Very low	219 Å²	219	128.4 Å²	128.4	83%	0.826	67%	0.673	S	S	*	*			trans	-138.1	149.6	151.9	-73.8	-162.7	174.1	179.1	-1	110.8	T1138	T1138-R1140 PolarHBondContact O-N 3.07Å
1141	D	32.3	Very low	41.3	Very low	153 Å²	153	128.2 Å²	128.2	82%	0.818	68%	0.684	S	S	*	*			trans	61.2	68.6	161.7	-46.8	-21.6	0	0	0	116.2
1142	I	32.6	Very low	41.2	Very low	169 Å²	169	128.9 Å²	128.9	87%	0.867	69%	0.69	S	S	*	*			trans	-99.7	101.1	158	-58.6	176.6	0	0	0	108.3
1143	E	33.3	Very low	41.4	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	70%	0.695	S	S	*	*			trans	-99.4	133.6	167.6	-72.6	-165.5	137.7	0	0	111.9	G1145	E1143-G1145 PolarHBondContact O-N 3.21Å
1144	E	44.2	Very low	42.1	Very low	189 Å²	189	128.9 Å²	128.9	88%	0.883	68%	0.682	S	S	*	*			trans	32.5	65	157.9	-53.8	-153.9	138.1	0	0	120.1
1145	G	41.9	Very low	43	Very low	41 Å²	41	124.9 Å²	124.9	42%	0.423	67%	0.669	S	S	.	*			trans	-75.1	140	160	0	0	0	0	0	113.5	E1143 I1156	E1143-G1145 PolarHBondContact O-N 3.21Å; G1145-I1156 VanDerWaalsContact O-CD1 3.25Å; G1145-I1156 WeakPolarHBondContact O-CD1 3.17Å; G1145-I1156 WeakPolarHBondContact O-CG1 3.47Å
1146	N	45.7	Very low	43.5	Very low	94 Å²	94	121.3 Å²	121.3	50%	0.503	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	129.1	166.6	-80.2	-69.8	0	0	0	110	P1155	N1146-P1155 WeakPolarHBondContact OD1-CA 3.38Å
1147	V	53.5	Low	44.3	Very low	69 Å²	69	126.1 Å²	126.1	42%	0.418	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	137.3	179.2	179.6	0	0	0	0	109.6	I1154 I1156	V1147-I1154 PolarHBondContact N-O 2.98Å; V1147-I1154 VanDerWaalsContact N-O 3.1Å; V1147-I1154 PolarHBondContact O-N 3.09Å; V1147-I1156 HydrophobicContact CG2-CG1 3.89Å
1148	K	42.3	Very low	45.5	Very low	157 Å²	157	125 Å²	125	68%	0.683	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.9	108	179.7	-163.6	-179.2	-174.5	-176.1	0	109.8	M1152 Q1153	K1148-M1152 CarbonylContact C-O 3.57Å; K1148-M1152 WeakPolarHBondContact CA-O 3.5Å; K1148-Q1153 HydrophobicContact CG-CG 4.45Å
1149	M	47.6	Very low	46.8	Very low	104 Å²	104	121.2 Å²	121.2	51%	0.512	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	129.8	-177.2	-149.4	-178.2	-163.5	0	0	109.9	G1151 M1152	M1149-G1151 PolarHBondContact O-N 3.24Å; M1149-G1151 VanDerWaalsContact O-N 3.1Å; M1149-M1152 PolarHBondContact N-O 3.18Å; M1149-M1152 PolarHBondContact O-N 3.37Å
1150	L	47.8	Very low	48.1	Very low	180 Å²	180	122.9 Å²	122.9	94%	0.942	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.4	38	-177.2	-61.9	171.6	0	0	0	113.7	M1152	L1150-M1152 VanDerWaalsContact C-N 3.29Å; L1150-M1152 PolarHBondContact O-N 3.09Å
1151	G	45	Very low	49.7	Very low	63 Å²	63	117.9 Å²	117.9	65%	0.649	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.3	-16.5	-179.9	0	0	0	0	0	115.7	M1149	M1149-G1151 PolarHBondContact O-N 3.24Å; M1149-G1151 VanDerWaalsContact O-N 3.1Å
1152	M	45.3	Very low	51.2	Low	133 Å²	133	113.8 Å²	113.8	66%	0.655	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.7	142.8	178.2	-62.9	-176.9	68.6	0	0	111.6	K1148 M1149 L1150 I1154	K1148-M1152 CarbonylContact C-O 3.57Å; K1148-M1152 WeakPolarHBondContact CA-O 3.5Å; M1149-M1152 PolarHBondContact N-O 3.18Å; M1149-M1152 PolarHBondContact O-N 3.37Å; L1150-M1152 VanDerWaalsContact C-N 3.29Å; L1150-M1152 PolarHBondContact O-N 3.09Å; M1152-I1154 HydrophobicContact CB-CG1 4.48Å
1153	Q	52.3	Low	52.8	Low	145 Å²	145	108.1 Å²	108.1	68%	0.678	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.8	131.1	166.6	-75.9	-179.4	-39.6	0	0	109.6	K1148	K1148-Q1153 HydrophobicContact CG-CG 4.45Å
1154	I	59.4	Low	54.4	Low	33 Å²	33	103.1 Å²	103.1	17%	0.169	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.1	128.9	-178.1	-54.1	-176.1	0	0	0	109	V1147 M1152 N1158 V1159 L1162	V1147-I1154 PolarHBondContact N-O 2.98Å; V1147-I1154 VanDerWaalsContact N-O 3.1Å; V1147-I1154 PolarHBondContact O-N 3.09Å; M1152-I1154 HydrophobicContact CB-CG1 4.48Å; I1154-N1158 HydrophobicContact CG2-CB 4.08Å; I1154-V1159 HydrophobicContact CG2-CG2 4.46Å; I1154-L1162 HydrophobicContact CD1-CD2 3.63Å
1155	P	64.3	Low	55.7	Low	66 Å²	66	97.8 Å²	97.8	43%	0.429	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	135.2	172.4	-22.7	33.8	0	0	0	111.1	N1146 K1157 N1158	N1146-P1155 WeakPolarHBondContact OD1-CA 3.38Å; P1155-K1157 PolarHBondContact O-N 3.49Å; P1155-N1158 PolarHBondContact O-N 2.85Å
1156	I	58.3	Low	57	Low	97 Å²	97	100.2 Å²	100.2	50%	0.497	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-48.8	-37.5	-174.6	-70.8	168.1	0	0	0	112.6	G1145 V1147 N1158 V1159	G1145-I1156 VanDerWaalsContact O-CD1 3.25Å; G1145-I1156 WeakPolarHBondContact O-CD1 3.17Å; G1145-I1156 WeakPolarHBondContact O-CG1 3.47Å; V1147-I1156 HydrophobicContact CG2-CG1 3.89Å; I1156-N1158 PolarHBondContact O-N 2.92Å; I1156-V1159 WeakPolarHBondContact O-CB 3.42Å; I1156-V1159 WeakPolarHBondContact O-CG2 3.39Å; I1156-V1159 PolarHBondContact O-N 3.29Å
1157	K	56.1	Low	58.3	Low	186 Å²	186	100.5 Å²	100.5	81%	0.809	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-58.4	-15.4	-179.7	-158.4	170.3	-173.1	172.5	0	115.5	P1155	P1155-K1157 PolarHBondContact O-N 3.49Å
1158	N	57.2	Low	59.3	Low	86 Å²	86	99.8 Å²	99.8	46%	0.46	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-105	-5.9	178.3	-65.2	-17.4	0	0	0	113.5	I1154 P1155 I1156 I1161 L1162	I1154-N1158 HydrophobicContact CG2-CB 4.08Å; P1155-N1158 PolarHBondContact O-N 2.85Å; I1156-N1158 PolarHBondContact O-N 2.92Å; N1158-I1161 PolarHBondContact O-N 2.84Å; N1158-L1162 PolarHBondContact O-N 2.88Å
1159	V	61.6	Low	60.9	Low	53 Å²	53	96.4 Å²	96.4	32%	0.321	53%	0.534	S	S	.	.	H	α-helix	trans	-69.6	-40.9	-171.1	175.9	0	0	0	0	112	I1154 I1156 I1161 L1162 A1163	I1154-V1159 HydrophobicContact CG2-CG2 4.46Å; I1156-V1159 WeakPolarHBondContact O-CB 3.42Å; I1156-V1159 WeakPolarHBondContact O-CG2 3.39Å; I1156-V1159 PolarHBondContact O-N 3.29Å; V1159-I1161 VanDerWaalsContact C-N 3.29Å; V1159-I1161 PolarHBondContact O-N 2.87Å; V1159-L1162 PolarHBondContact O-N 3.3Å; V1159-A1163 WeakPolarHBondContact O-CB 3.44Å; V1159-A1163 PolarHBondContact O-N 2.84Å
1160	E	59.6	Low	62.3	Low	160 Å²	160	93.2 Å²	93.2	75%	0.748	53%	0.527	S	S	*	.	H	α-helix	trans	-60.2	-39	177.4	-62.1	-176.1	137.3	0	0	112.3	S1164	E1160-S1164 WeakPolarHBondContact O-CB 3.36Å; E1160-S1164 PolarHBondContact O-N 3.49Å; E1160-S1164 PolarHBondContact O-OG 3.02Å
1161	I	63.9	Low	64	Low	113 Å²	113	88.4 Å²	88.4	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-44.8	178.5	-59	173.9	0	0	0	109.9	N1158 V1159 S1164 V1165	N1158-I1161 PolarHBondContact O-N 2.84Å; V1159-I1161 VanDerWaalsContact C-N 3.29Å; V1159-I1161 PolarHBondContact O-N 2.87Å; I1161-S1164 PolarHBondContact O-N 2.82Å; I1161-V1165 WeakPolarHBondContact O-CG2 3.24Å; I1161-V1165 PolarHBondContact O-N 3.38Å
1162	L	62.2	Low	65.4	Low	68 Å²	68	89.4 Å²	89.4	36%	0.356	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-43.6	178.1	-172.6	66.9	0	0	0	111.8	I1154 N1158 V1159 V1165 L1166	I1154-L1162 HydrophobicContact CD1-CD2 3.63Å; N1158-L1162 PolarHBondContact O-N 2.88Å; V1159-L1162 PolarHBondContact O-N 3.3Å; L1162-V1165 PolarHBondContact O-N 2.89Å; L1162-L1166 HydrophobicContact CG-CD1 4.14Å; L1162-L1166 WeakPolarHBondContact O-CG 3.31Å; L1162-L1166 PolarHBondContact O-N 2.86Å
1163	A	66.9	Low	66.9	Low	49 Å²	49	88.5 Å²	88.5	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-45.1	174.9	0	0	0	0	0	111.8	V1159 V1165 L1166 V1167	V1159-A1163 WeakPolarHBondContact O-CB 3.44Å; V1159-A1163 PolarHBondContact O-N 2.84Å; A1163-V1165 VanDerWaalsContact C-N 3.33Å; A1163-V1165 PolarHBondContact O-N 2.91Å; A1163-L1166 PolarHBondContact O-N 2.9Å; A1163-V1167 WeakPolarHBondContact O-CG2 3.48Å; A1163-V1167 PolarHBondContact O-N 2.86Å
1164	S	67.1	Low	68.1	Low	79 Å²	79	86.7 Å²	86.7	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-59.1	-42	175.8	-58.1	0	0	0	0	112.4	E1160 I1161 A1168	E1160-S1164 WeakPolarHBondContact O-CB 3.36Å; E1160-S1164 PolarHBondContact O-N 3.49Å; E1160-S1164 PolarHBondContact O-OG 3.02Å; I1161-S1164 PolarHBondContact O-N 2.82Å; S1164-A1168 WeakPolarHBondContact O-CB 3.35Å; S1164-A1168 PolarHBondContact O-N 3Å
1165	V	71.2	Confident	69.1	Low	77 Å²	77	90.4 Å²	90.4	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-42.3	176.7	169.7	0	0	0	0	111.6	I1161 L1162 A1163 A1168 I1169	I1161-V1165 WeakPolarHBondContact O-CG2 3.24Å; I1161-V1165 PolarHBondContact O-N 3.38Å; L1162-V1165 PolarHBondContact O-N 2.89Å; A1163-V1165 VanDerWaalsContact C-N 3.33Å; A1163-V1165 PolarHBondContact O-N 2.91Å; V1165-A1168 PolarHBondContact O-N 3.23Å; V1165-I1169 HydrophobicContact CG1-CD1 3.81Å; V1165-I1169 HydrophobicContact CG1-CG1 4.49Å; V1165-I1169 VanDerWaalsContact O-CG1 3.31Å; V1165-I1169 WeakPolarHBondContact O-CG1 3.33Å; V1165-I1169 PolarHBondContact O-N 2.98Å
1166	L	69.1	Low	69.9	Low	93 Å²	93	90.9 Å²	90.9	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-40	177.6	-73	169.6	0	0	0	112.2	L1162 A1163 I1169 G1170	L1162-L1166 HydrophobicContact CG-CD1 4.14Å; L1162-L1166 WeakPolarHBondContact O-CG 3.31Å; L1162-L1166 PolarHBondContact O-N 2.86Å; A1163-L1166 PolarHBondContact O-N 2.9Å; L1166-I1169 PolarHBondContact O-N 2.71Å; L1166-G1170 PolarHBondContact O-N 3.18Å
1167	V	74.4	Confident	71	Confident	99 Å²	99	89 Å²	89	60%	0.6	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-44.1	173.3	170.4	0	0	0	0	110.9	A1163 I1169 G1170 V1171	A1163-V1167 WeakPolarHBondContact O-CG2 3.48Å; A1163-V1167 PolarHBondContact O-N 2.86Å; V1167-I1169 PolarHBondContact O-N 3.41Å; V1167-G1170 PolarHBondContact O-N 2.67Å; V1167-V1171 HydrophobicContact CG1-CG2 4.5Å; V1167-V1171 WeakPolarHBondContact O-CG2 3.16Å; V1167-V1171 PolarHBondContact O-N 2.96Å
1168	A	73.2	Confident	72.2	Confident	55 Å²	55	85.5 Å²	85.5	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.1	0	0	0	0	0	112.4	S1164 V1165 T1172	S1164-A1168 WeakPolarHBondContact O-CB 3.35Å; S1164-A1168 PolarHBondContact O-N 3Å; V1165-A1168 PolarHBondContact O-N 3.23Å; A1168-T1172 WeakPolarHBondContact O-CB 3.34Å; A1168-T1172 PolarHBondContact O-N 3.4Å; A1168-T1172 PolarHBondContact O-OG1 3.09Å
1169	I	75.9	Confident	73.3	Confident	85 Å²	85	84.3 Å²	84.3	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-45.1	173.7	-69	165.6	0	0	0	110.8	V1165 L1166 V1167 T1172 L1173	V1165-I1169 HydrophobicContact CG1-CD1 3.81Å; V1165-I1169 HydrophobicContact CG1-CG1 4.49Å; V1165-I1169 VanDerWaalsContact O-CG1 3.31Å; V1165-I1169 WeakPolarHBondContact O-CG1 3.33Å; V1165-I1169 PolarHBondContact O-N 2.98Å; L1166-I1169 PolarHBondContact O-N 2.71Å; V1167-I1169 PolarHBondContact O-N 3.41Å; I1169-T1172 WeakPolarHBondContact O-CB 3.25Å; I1169-T1172 PolarHBondContact O-N 3.34Å; I1169-L1173 HydrophobicContact CG2-CD1 3.88Å; I1169-L1173 HydrophobicContact CG2-CG 4.36Å; I1169-L1173 WeakPolarHBondContact O-CG 3.41Å; I1169-L1173 PolarHBondContact O-N 2.88Å
1170	G	77.4	Confident	74.1	Confident	37 Å²	37	86.6 Å²	86.6	38%	0.381	51%	0.512	S	S	.	.	H	α-helix	trans	-59.4	-46.8	177.6	0	0	0	0	0	112.9	L1166 V1167 T1172 L1173 L1174	L1166-G1170 PolarHBondContact O-N 3.18Å; V1167-G1170 PolarHBondContact O-N 2.67Å; G1170-T1172 VanDerWaalsContact C-N 3.32Å; G1170-T1172 PolarHBondContact O-N 3.32Å; G1170-L1173 PolarHBondContact O-N 3.28Å; G1170-L1174 WeakPolarHBondContact O-CB 2.98Å; G1170-L1174 PolarHBondContact O-N 3.38Å
1171	V	82.6	Confident	75.1	Confident	79 Å²	79	80.9 Å²	80.9	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-39.8	174.7	172.6	0	0	0	0	111.4	V1167 L1174 L1175	V1167-V1171 HydrophobicContact CG1-CG2 4.5Å; V1167-V1171 WeakPolarHBondContact O-CG2 3.16Å; V1167-V1171 PolarHBondContact O-N 2.96Å; V1171-L1174 PolarHBondContact O-N 3.27Å; V1171-L1175 HydrophobicContact CG1-CD1 4.2Å; V1171-L1175 WeakPolarHBondContact O-CG 3.38Å; V1171-L1175 PolarHBondContact O-N 3.05Å
1172	T	75.3	Confident	75.9	Confident	85 Å²	85	77.3 Å²	77.3	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-43	177.7	-54.7	0	0	0	0	111.5	A1168 I1169 G1170 L1175 V1176	A1168-T1172 WeakPolarHBondContact O-CB 3.34Å; A1168-T1172 PolarHBondContact O-N 3.4Å; A1168-T1172 PolarHBondContact O-OG1 3.09Å; I1169-T1172 WeakPolarHBondContact O-CB 3.25Å; I1169-T1172 PolarHBondContact O-N 3.34Å; G1170-T1172 VanDerWaalsContact C-N 3.32Å; G1170-T1172 PolarHBondContact O-N 3.32Å; T1172-L1175 PolarHBondContact O-N 3.25Å; T1172-V1176 WeakPolarHBondContact O-CG2 3.48Å; T1172-V1176 PolarHBondContact O-N 2.57Å; T1172-V1176 VanDerWaalsContact O-N 3.08Å
1173	L	76.2	Confident	76.5	Confident	114 Å²	114	80 Å²	80	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-65.4	-40	175.2	-71.8	170.6	0	0	0	111.9	I1169 G1170 L1175 V1176 A1177	I1169-L1173 HydrophobicContact CG2-CD1 3.88Å; I1169-L1173 HydrophobicContact CG2-CG 4.36Å; I1169-L1173 WeakPolarHBondContact O-CG 3.41Å; I1169-L1173 PolarHBondContact O-N 2.88Å; G1170-L1173 PolarHBondContact O-N 3.28Å; L1173-L1175 PolarHBondContact O-N 3.41Å; L1173-V1176 PolarHBondContact O-N 2.84Å; L1173-A1177 WeakPolarHBondContact O-CB 3.27Å; L1173-A1177 PolarHBondContact O-N 3.31Å
1174	L	78.2	Confident	77	Confident	106 Å²	106	82.4 Å²	82.4	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-43.8	175.3	-174.7	69.5	0	0	0	111.5	G1170 V1171 V1176 A1177 L1178	G1170-L1174 WeakPolarHBondContact O-CB 2.98Å; G1170-L1174 PolarHBondContact O-N 3.38Å; V1171-L1174 PolarHBondContact O-N 3.27Å; L1174-V1176 PolarHBondContact O-N 3.09Å; L1174-A1177 PolarHBondContact O-N 3Å; L1174-L1178 HydrophobicContact CG-CD1 4.17Å; L1174-L1178 WeakPolarHBondContact O-CB 3.23Å; L1174-L1178 VanDerWaalsContact O-CG 3.29Å; L1174-L1178 WeakPolarHBondContact O-CG 3.41Å; L1174-L1178 PolarHBondContact O-N 2.97Å
1175	L	79.9	Confident	77.4	Confident	111 Å²	111	86.3 Å²	86.3	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-64.4	-38.6	176.3	-71.5	169.5	0	0	0	112.3	V1171 T1172 L1173 A1179	V1171-L1175 HydrophobicContact CG1-CD1 4.2Å; V1171-L1175 WeakPolarHBondContact O-CG 3.38Å; V1171-L1175 PolarHBondContact O-N 3.05Å; T1172-L1175 PolarHBondContact O-N 3.25Å; L1173-L1175 PolarHBondContact O-N 3.41Å; L1175-A1179 WeakPolarHBondContact O-CB 3.2Å; L1175-A1179 PolarHBondContact O-N 3.07Å
1176	V	81.6	Confident	77.5	Confident	77 Å²	77	89.3 Å²	89.3	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-42.9	173.6	171.7	0	0	0	0	111.2	T1172 L1173 L1174 A1179 L1180	T1172-V1176 WeakPolarHBondContact O-CG2 3.48Å; T1172-V1176 PolarHBondContact O-N 2.57Å; T1172-V1176 VanDerWaalsContact O-N 3.08Å; L1173-V1176 PolarHBondContact O-N 2.84Å; L1174-V1176 PolarHBondContact O-N 3.09Å; V1176-A1179 PolarHBondContact O-N 2.9Å; V1176-L1180 HydrophobicContact CG1-CD1 3.95Å; V1176-L1180 HydrophobicContact CG1-CG 4.47Å; V1176-L1180 WeakPolarHBondContact O-CB 3.4Å; V1176-L1180 WeakPolarHBondContact O-CG 3.34Å; V1176-L1180 PolarHBondContact O-N 2.83Å
1177	A	80.4	Confident	77.7	Confident	57 Å²	57	90.4 Å²	90.4	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-42.3	176.7	0	0	0	0	0	112	L1173 L1174 L1180 G1181	L1173-A1177 WeakPolarHBondContact O-CB 3.27Å; L1173-A1177 PolarHBondContact O-N 3.31Å; L1174-A1177 PolarHBondContact O-N 3Å; A1177-L1180 PolarHBondContact O-N 3.24Å; A1177-G1181 PolarHBondContact O-N 2.74Å
1178	L	82.6	Confident	77.5	Confident	113 Å²	113	91.5 Å²	91.5	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-39.1	174.6	-72.1	169.1	0	0	0	112.2	L1174 G1182	L1174-L1178 HydrophobicContact CG-CD1 4.17Å; L1174-L1178 WeakPolarHBondContact O-CB 3.23Å; L1174-L1178 VanDerWaalsContact O-CG 3.29Å; L1174-L1178 WeakPolarHBondContact O-CG 3.41Å; L1174-L1178 PolarHBondContact O-N 2.97Å; L1178-G1182 PolarHBondContact O-N 3.41Å
1179	A	79.6	Confident	77.3	Confident	61 Å²	61	95.8 Å²	95.8	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-65.3	-42.3	174.9	0	0	0	0	0	112.3	L1175 V1176 G1182 M1183	L1175-A1179 WeakPolarHBondContact O-CB 3.2Å; L1175-A1179 PolarHBondContact O-N 3.07Å; V1176-A1179 PolarHBondContact O-N 2.9Å; A1179-G1182 PolarHBondContact O-N 3.07Å; A1179-M1183 PolarHBondContact O-N 3.35Å
1180	L	77.9	Confident	76.9	Confident	101 Å²	101	95 Å²	95	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-44.5	175.1	-71.4	170.3	0	0	0	111.7	V1176 A1177 G1182 M1183 V1184	V1176-L1180 HydrophobicContact CG1-CD1 3.95Å; V1176-L1180 HydrophobicContact CG1-CG 4.47Å; V1176-L1180 WeakPolarHBondContact O-CB 3.4Å; V1176-L1180 WeakPolarHBondContact O-CG 3.34Å; V1176-L1180 PolarHBondContact O-N 2.83Å; A1177-L1180 PolarHBondContact O-N 3.24Å; L1180-G1182 VanDerWaalsContact C-N 3.31Å; L1180-G1182 PolarHBondContact O-N 3.04Å; L1180-M1183 WeakPolarHBondContact O-CB 3.31Å; L1180-M1183 PolarHBondContact O-N 2.75Å; L1180-M1183 VanDerWaalsContact O-N 3.12Å; L1180-V1184 WeakPolarHBondContact O-CG2 3.48Å; L1180-V1184 PolarHBondContact O-N 3.3Å
1181	G	80.9	Confident	76.2	Confident	39 Å²	39	102 Å²	102	40%	0.402	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-41.5	173.1	0	0	0	0	0	112.2	A1177 M1183 V1184 W1185	A1177-G1181 PolarHBondContact O-N 2.74Å; G1181-M1183 PolarHBondContact O-N 3Å; G1181-V1184 PolarHBondContact O-N 3.34Å; G1181-W1185 WeakPolarHBondContact O-CB 3.14Å; G1181-W1185 PolarHBondContact O-N 2.69Å
1182	G	82.2	Confident	75.2	Confident	38 Å²	38	105 Å²	105	39%	0.392	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-41.6	172.1	0	0	0	0	0	113.3	L1178 A1179 L1180 Y1186	L1178-G1182 PolarHBondContact O-N 3.41Å; A1179-G1182 PolarHBondContact O-N 3.07Å; L1180-G1182 VanDerWaalsContact C-N 3.31Å; L1180-G1182 PolarHBondContact O-N 3.04Å; G1182-Y1186 VanDerWaalsContact O-CB 3.31Å; G1182-Y1186 WeakPolarHBondContact O-CB 3.35Å; G1182-Y1186 PolarHBondContact O-N 2.82Å
1183	M	74.4	Confident	74.4	Confident	124 Å²	124	106 Å²	106	61%	0.611	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-43.2	173.1	-74	-161.5	-179.3	0	0	112.5	A1179 L1180 G1181 Y1186 Q1187	A1179-M1183 PolarHBondContact O-N 3.35Å; L1180-M1183 WeakPolarHBondContact O-CB 3.31Å; L1180-M1183 PolarHBondContact O-N 2.75Å; L1180-M1183 VanDerWaalsContact O-N 3.12Å; G1181-M1183 PolarHBondContact O-N 3Å; M1183-Y1186 PolarHBondContact O-N 2.78Å; M1183-Q1187 WeakPolarHBondContact O-CG 3.46Å; M1183-Q1187 PolarHBondContact O-N 3.29Å
1184	V	76	Confident	73.5	Confident	100 Å²	100	109.4 Å²	109.4	61%	0.606	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-44.7	177.2	172	0	0	0	0	110.7	L1180 G1181 Y1186 Q1187 H1188	L1180-V1184 WeakPolarHBondContact O-CG2 3.48Å; L1180-V1184 PolarHBondContact O-N 3.3Å; G1181-V1184 PolarHBondContact O-N 3.34Å; V1184-Y1186 PolarHBondContact O-N 2.82Å; V1184-Q1187 PolarHBondContact O-N 2.92Å; V1184-H1188 WeakPolarHBondContact O-CB 3.37Å; V1184-H1188 PolarHBondContact O-N 3.33Å
1185	W	75.5	Confident	72.4	Confident	161 Å²	161	114.2 Å²	114.2	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-42.2	175.2	-174.9	83.3	0	0	0	112.1	G1181 H1188 R1189	G1181-W1185 WeakPolarHBondContact O-CB 3.14Å; G1181-W1185 PolarHBondContact O-N 2.69Å; W1185-H1188 PolarHBondContact O-N 3.45Å; W1185-R1189 WeakPolarHBondContact O-CB 3.41Å; W1185-R1189 PolarHBondContact O-N 2.92Å
1186	Y	74.6	Confident	71	Confident	141 Å²	141	113.5 Å²	113.5	55%	0.553	55%	0.551	S	S	*	*	H	α-helix	trans	-61.8	-45.2	174.4	-176.9	-90.7	0	0	0	112	G1182 M1183 V1184 R1189 Q1190	G1182-Y1186 VanDerWaalsContact O-CB 3.31Å; G1182-Y1186 WeakPolarHBondContact O-CB 3.35Å; G1182-Y1186 PolarHBondContact O-N 2.82Å; M1183-Y1186 PolarHBondContact O-N 2.78Å; V1184-Y1186 PolarHBondContact O-N 2.82Å; Y1186-R1189 PolarHBondContact O-N 3.11Å; Y1186-Q1190 HydrophobicContact CD1-CG 4.2Å; Y1186-Q1190 HydrophobicContact CE1-CG 3.82Å; Y1186-Q1190 WeakPolarHBondContact O-CB 3.34Å; Y1186-Q1190 WeakPolarHBondContact O-CG 3.37Å; Y1186-Q1190 PolarHBondContact O-N 2.82Å; Y1186-Q1190 PolarHBondContact OH-NE2 3.2Å
1187	Q	71.9	Confident	69.5	Low	116 Å²	116	119.6 Å²	119.6	54%	0.542	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-39.1	175	-71.5	-173.7	28.3	0	0	112.2	M1183 V1184 Q1190 R1191	M1183-Q1187 WeakPolarHBondContact O-CG 3.46Å; M1183-Q1187 PolarHBondContact O-N 3.29Å; V1184-Q1187 PolarHBondContact O-N 2.92Å; Q1187-Q1190 PolarHBondContact O-N 3.44Å; Q1187-R1191 WeakPolarHBondContact O-CG 3.43Å; Q1187-R1191 PolarHBondContact O-N 2.64Å
1188	H	70.3	Confident	68.2	Low	121 Å²	121	125.9 Å²	125.9	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-64.7	-43.2	175.4	-172.7	-2	0	0	0	111.4	V1184 W1185 Q1190 R1191 K1192	V1184-H1188 WeakPolarHBondContact O-CB 3.37Å; V1184-H1188 PolarHBondContact O-N 3.33Å; W1185-H1188 PolarHBondContact O-N 3.45Å; H1188-Q1190 PolarHBondContact O-N 3.4Å; H1188-R1191 WeakPolarHBondContact O-CB 3.22Å; H1188-R1191 PolarHBondContact O-N 2.93Å; H1188-R1191 VanDerWaalsContact O-N 3.15Å; H1188-K1192 PolarHBondContact O-N 3.17Å
1189	R	69.4	Low	66.7	Low	145 Å²	145	123.4 Å²	123.4	55%	0.547	57%	0.569	S	S	.	*	H	α-helix	trans	-61.9	-41.3	175.1	-171.4	173.6	178.1	-178.9	-1	111.6	W1185 Y1186 K1192 L1193	W1185-R1189 WeakPolarHBondContact O-CB 3.41Å; W1185-R1189 PolarHBondContact O-N 2.92Å; Y1186-R1189 PolarHBondContact O-N 3.11Å; R1189-K1192 PolarHBondContact O-N 3.13Å; R1189-L1193 WeakPolarHBondContact O-CG 3.49Å; R1189-L1193 PolarHBondContact O-N 3.18Å
1190	Q	67.1	Low	65.3	Low	69 Å²	69	126 Å²	126	32%	0.322	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-41.9	171.2	-76	-73.9	-10.2	0	0	112.4	Y1186 Q1187 H1188 R1194	Y1186-Q1190 HydrophobicContact CD1-CG 4.2Å; Y1186-Q1190 HydrophobicContact CE1-CG 3.82Å; Y1186-Q1190 WeakPolarHBondContact O-CB 3.34Å; Y1186-Q1190 WeakPolarHBondContact O-CG 3.37Å; Y1186-Q1190 PolarHBondContact O-N 2.82Å; Y1186-Q1190 PolarHBondContact OH-NE2 3.2Å; Q1187-Q1190 PolarHBondContact O-N 3.44Å; H1188-Q1190 PolarHBondContact O-N 3.4Å; Q1190-R1194 WeakPolarHBondContact O-CG 3.4Å; Q1190-R1194 PolarHBondContact O-N 2.95Å; Q1190-R1194 VanDerWaalsContact O-N 3.09Å
1191	R	64.4	Low	64	Low	184 Å²	184	126.6 Å²	126.6	69%	0.694	58%	0.576	S	S	*	*	H	α-helix	trans	-63.6	-41.6	173.4	-73.6	179.2	178.7	-171.6	0.3	112.2	Q1187 H1188 R1194 R1195	Q1187-R1191 WeakPolarHBondContact O-CG 3.43Å; Q1187-R1191 PolarHBondContact O-N 2.64Å; H1188-R1191 WeakPolarHBondContact O-CB 3.22Å; H1188-R1191 PolarHBondContact O-N 2.93Å; H1188-R1191 VanDerWaalsContact O-N 3.15Å; R1191-R1194 PolarHBondContact O-N 3.23Å; R1191-R1195 PolarHBondContact O-N 3.4Å
1192	K	60	Low	62.6	Low	143 Å²	143	129.6 Å²	129.6	62%	0.622	58%	0.583	S	S	*	*	H	α-helix	trans	-63.6	-45.1	178.2	-159.8	168.3	-174.1	172.7	0	111.2	H1188 R1189 R1194 R1195 N1196	H1188-K1192 PolarHBondContact O-N 3.17Å; R1189-K1192 PolarHBondContact O-N 3.13Å; K1192-R1194 VanDerWaalsContact C-N 3.32Å; K1192-R1194 PolarHBondContact O-N 2.91Å; K1192-R1195 PolarHBondContact O-N 2.55Å; K1192-R1195 VanDerWaalsContact O-N 3.14Å; K1192-N1196 PolarHBondContact O-N 3.07Å; K1192-N1196 VanDerWaalsContact O-N 3.09Å; K1192-N1196 PolarHBondContact O-OD1 3.16Å
1193	L	58.6	Low	61	Low	105 Å²	105	131.8 Å²	131.8	55%	0.55	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-37.2	173.7	-72.7	167.1	0	0	0	113.1	R1189 R1197	R1189-L1193 WeakPolarHBondContact O-CG 3.49Å; R1189-L1193 PolarHBondContact O-N 3.18Å; L1193-R1197 PolarHBondContact O-N 3.39Å
1194	R	57.2	Low	59.6	Low	185 Å²	185	129.2 Å²	129.2	70%	0.698	58%	0.58	S	S	*	*	H	α-helix	trans	-71	-29.1	175.1	-70.5	178.6	-170.2	-162.8	2.9	113.5	Q1190 R1191 K1192	Q1190-R1194 WeakPolarHBondContact O-CG 3.4Å; Q1190-R1194 PolarHBondContact O-N 2.95Å; Q1190-R1194 VanDerWaalsContact O-N 3.09Å; R1191-R1194 PolarHBondContact O-N 3.23Å; K1192-R1194 VanDerWaalsContact C-N 3.32Å; K1192-R1194 PolarHBondContact O-N 2.91Å
1195	R	55.2	Low	58.3	Low	208 Å²	208	132.2 Å²	132.2	79%	0.785	59%	0.585	S	S	*	*	H	α-helix	trans	-68.9	-49.3	171.1	-98.3	-174.9	170.7	171.7	-3.4	111.6	R1191 K1192 R1197 R1198 S1199	R1191-R1195 PolarHBondContact O-N 3.4Å; K1192-R1195 PolarHBondContact O-N 2.55Å; K1192-R1195 VanDerWaalsContact O-N 3.14Å; R1195-R1197 PolarHBondContact O-N 2.93Å; R1195-R1198 PolarHBondContact O-N 3.04Å; R1195-S1199 PolarHBondContact O-N 3.33Å
1196	N	50.9	Low	57	Low	95 Å²	95	131.7 Å²	131.7	51%	0.508	59%	0.587	S	S	.	*	H	α-helix	trans	-60.1	-32.9	179.9	-70.5	35.6	0	0	0	112.4	K1192 R1198 S1199 I1200	K1192-N1196 PolarHBondContact O-N 3.07Å; K1192-N1196 VanDerWaalsContact O-N 3.09Å; K1192-N1196 PolarHBondContact O-OD1 3.16Å; N1196-R1198 PolarHBondContact O-N 3.35Å; N1196-S1199 PolarHBondContact O-N 3.11Å; N1196-I1200 WeakPolarHBondContact O-CG1 3.44Å; N1196-I1200 PolarHBondContact O-N 3.35Å
1197	R	50.7	Low	55.8	Low	205 Å²	205	132.5 Å²	132.5	77%	0.774	60%	0.6	S	S	*	*	H	α-helix	trans	-72.3	-7.9	175.5	-131.6	-177.5	-169.1	-166.5	3.3	115	L1193 R1195	L1193-R1197 PolarHBondContact O-N 3.39Å; R1195-R1197 PolarHBondContact O-N 2.93Å
1198	R	52	Low	54.7	Low	190 Å²	190	133.7 Å²	133.7	72%	0.717	61%	0.61	S	S	*	*	H	α-helix	trans	-94.3	-43	168.8	-83.4	-172.3	170.1	-179.5	-4	112.7	R1195 N1196 I1200 L1201 D1202	R1195-R1198 PolarHBondContact O-N 3.04Å; N1196-R1198 PolarHBondContact O-N 3.35Å; R1198-I1200 VanDerWaalsContact C-N 3.3Å; R1198-I1200 PolarHBondContact O-N 2.73Å; R1198-L1201 WeakPolarHBondContact O-CA 3.45Å; R1198-L1201 WeakPolarHBondContact O-CB 3.42Å; R1198-L1201 PolarHBondContact O-N 2.94Å; R1198-D1202 PolarHBondContact O-N 3.29Å; R1198-D1202 VanDerWaalsContact O-N 3.09Å
1199	S	51.4	Low	53.7	Low	61 Å²	61	132.5 Å²	132.5	43%	0.427	62%	0.615	S	S	.	*	H	α-helix	trans	-55.1	-44.8	177.4	136.2	0	0	0	0	112.1	R1195 N1196 L1201 D1202 D1203	R1195-S1199 PolarHBondContact O-N 3.33Å; N1196-S1199 PolarHBondContact O-N 3.11Å; S1199-L1201 PolarHBondContact O-N 2.82Å; S1199-L1201 VanDerWaalsContact O-N 3.07Å; S1199-D1202 PolarHBondContact O-N 3.31Å; S1199-D1202 VanDerWaalsContact O-N 3.07Å; S1199-D1203 PolarHBondContact O-N 2.78Å; S1199-D1203 VanDerWaalsContact O-OD2 3.08Å; S1199-D1203 PolarHBondContact OG-OD2 3.41Å
1200	I	51.7	Low	52.7	Low	114 Å²	114	135.2 Å²	135.2	59%	0.585	63%	0.631	S	S	*	*	H	α-helix	trans	-59.1	-25.6	177.6	-64.1	168.3	0	0	0	112.6	N1196 R1198 S1204	N1196-I1200 WeakPolarHBondContact O-CG1 3.44Å; N1196-I1200 PolarHBondContact O-N 3.35Å; R1198-I1200 VanDerWaalsContact C-N 3.3Å; R1198-I1200 PolarHBondContact O-N 2.73Å; I1200-S1204 WeakPolarHBondContact O-CB 3.33Å; I1200-S1204 PolarHBondContact O-OG 2.93Å
1201	L	50.5	Low	51.6	Low	114 Å²	114	141.3 Å²	141.3	60%	0.597	66%	0.657	S	S	*	*	H	α-helix	trans	-85.3	-35	175.8	-88.4	162.6	0	0	0	113.3	R1198 S1199 F1205	R1198-L1201 WeakPolarHBondContact O-CA 3.45Å; R1198-L1201 WeakPolarHBondContact O-CB 3.42Å; R1198-L1201 PolarHBondContact O-N 2.94Å; S1199-L1201 PolarHBondContact O-N 2.82Å; S1199-L1201 VanDerWaalsContact O-N 3.07Å; L1201-F1205 PolarHBondContact O-N 3.01Å
1202	D	50.3	Low	50.3	Low	102 Å²	102	145.5 Å²	145.5	55%	0.545	68%	0.684	S	S	.	*	H	α-helix	trans	-70.8	-42.4	175.3	-74.8	-47.6	0	0	0	111.9	R1198 S1199 S1204 F1205 K1206	R1198-D1202 PolarHBondContact O-N 3.29Å; R1198-D1202 VanDerWaalsContact O-N 3.09Å; S1199-D1202 PolarHBondContact O-N 3.31Å; S1199-D1202 VanDerWaalsContact O-N 3.07Å; D1202-S1204 PolarHBondContact O-N 3.34Å; D1202-F1205 PolarHBondContact O-N 3.25Å; D1202-K1206 PolarHBondContact O-N 3.28Å
1203	D	48.8	Very low	49.9	Very low	85 Å²	85	145.6 Å²	145.6	46%	0.455	69%	0.687	S	S	.	*	H	α-helix	trans	-66.9	-28.2	177.8	-63.2	-42.4	0	0	0	111.7	S1199 F1205	S1199-D1203 PolarHBondContact O-N 2.78Å; S1199-D1203 VanDerWaalsContact O-OD2 3.08Å; S1199-D1203 PolarHBondContact OG-OD2 3.41Å; D1203-F1205 VanDerWaalsContact C-N 3.28Å; D1203-F1205 PolarHBondContact O-N 2.98Å
1204	S	45.5	Very low	49.4	Very low	70 Å²	70	147.7 Å²	147.7	49%	0.49	69%	0.694	S	S	.	*	H	α-helix	trans	-68.1	-23.5	170.5	-64	0	0	0	0	113.6	I1200 D1202	I1200-S1204 WeakPolarHBondContact O-CB 3.33Å; I1200-S1204 PolarHBondContact O-OG 2.93Å; D1202-S1204 PolarHBondContact O-N 3.34Å
1205	F	48	Very low	49	Very low	162 Å²	162	145.7 Å²	145.7	71%	0.711	69%	0.694	S	S	*	*	H	α-helix	trans	-88.7	-31.7	179.4	-109.6	-89.3	0	0	0	113	L1201 D1202 D1203 L1207 L1208	L1201-F1205 PolarHBondContact O-N 3.01Å; D1202-F1205 PolarHBondContact O-N 3.25Å; D1203-F1205 VanDerWaalsContact C-N 3.28Å; D1203-F1205 PolarHBondContact O-N 2.98Å; F1205-L1207 VanDerWaalsContact C-N 3.31Å; F1205-L1207 PolarHBondContact O-N 2.91Å; F1205-L1208 PolarHBondContact O-N 3.43Å
1206	K	47.9	Very low	48.6	Very low	151 Å²	151	142 Å²	142	66%	0.657	69%	0.689	S	S	*	*	H	α-helix	trans	-69.6	-24.5	179.6	-72.8	178.7	178.6	172.9	0	114.1	D1202 L1208	D1202-K1206 PolarHBondContact O-N 3.28Å; K1206-L1208 PolarHBondContact O-N 3.24Å
1207	L	49.8	Very low	48.4	Very low	157 Å²	157	144.9 Å²	144.9	82%	0.822	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-0	178	-84.3	163.3	0	0	0	114.8	F1205	F1205-L1207 VanDerWaalsContact C-N 3.31Å; F1205-L1207 PolarHBondContact O-N 2.91Å
1208	L	48.1	Very low	48.3	Very low	142 Å²	142	140.9 Å²	140.9	74%	0.743	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-3.8	-177.1	-86.5	163.6	0	0	0	115.5	F1205 K1206	F1205-L1208 PolarHBondContact O-N 3.43Å; K1206-L1208 PolarHBondContact O-N 3.24Å
1209	S	50.5	Low	48	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	69%	0.694	S	S	*	*	S	Bend	trans	-100	7.9	-177.3	76.3	0	0	0	0	115.8
1210	F	48.4	Very low	47.8	Very low	201 Å²	201	143.3 Å²	143.3	88%	0.882	71%	0.714	S	S	*	*	S	Bend	trans	-112.7	52	174.5	-93.5	-76.1	0	0	0	111.7
1211	K	43.8	Very low	47.4	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.857	73%	0.725	S	S	*	*			trans	-157.7	52.7	172.1	-133.6	173.6	-169.7	176.9	0	116.9
1212	Q	37.8	Very low	47.2	Very low	272 Å²	272	148.6 Å²	148.6	100%	1.271	74%	0.737	S	S	*	*			trans	-152.9	0	148.6	-119.3	171.8	1.3	0	0	110.8

Retrieved 1,212 of 1,212 residues in 295.5 ms (Link to these results)

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