A0A087XEG8_POEFO Loading...

Nucleolar protein 6

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A087XEG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,145 aa.

						>A0A087XEG8_POEFO|A0A087XEG8
MKKKQTVTEEPGEMPPSDFSLGDGEEQLGAPNKPKRVKSGEEEEVVYHPVKLSRNDLYRPPTAEELNHLKEAESLFHCSLLKMQMEELLKEVSLSERRKQQIDSFVKTVTELLETVPVSPKVEVSDLSWLSGAVKVPFLLVPKATKGKFHMAPPASVDLIGSYPLGTCVKPHIKVDLAATIPADVLHPKDFLNQRYPRKRALYLAGLAQHLKSSSDVGELRYSCLHGNRLKPVLLLSPPGKDSSSFTVCVHVCPPPGFFKPSRFHPQRNNIRTEWYTGLQASNDENSEPPTPHYNGSILGDLLPRAHLQFLSAIGSQCSAFSDGVALLKVWLHQRELDQGAGCFNGFLASMLLAYLLMNHRISNTMTAYQLLRNSLNFLASTDLTVSGISLAKDPDSTAPSLAEFHNAFQVVFVDPSGHLNMCADMTASTYKQLQHEASVSMQFWDDPTVDGFHCLLMTPKPMIRTSDCVFQLCDLVKLQVTCKKQNLLSESMDHSGNYIQTVLPFLLALLQQGLGQRIHLLTHSLPPDPEWSVESEAPKYKAQPPLSFGLLLNPELAASVLEKGPPADSPQAAEFRQLWGSRSELRRFQDGAITEAVLWDGKSASQRRLVPKQIVTHLLQLHAGIPESCVRFVGTMVDDVITTGNEVPSTGEEESLLVVQSYDDLSRKLWKLEGLPLSITAVQGAHPALRYTQVFPPEPVRLDYSFFEREKTCRFLVPKEGKPCPHYLTPITVICHMEGSGKWPLDRTAIRHIRAAFHISLAEMLKKHHDYTCSPCPTHVDVWKDGLVFRIQVAYHREPQVLRESVNAEGLLVVRDNEEAQVLEMTTVHKPLLTSTLHGLQQQQPCFGAVCRLAKRWLAAQLFSEDITEDTADLLVASLFLQPAPFTPPGSPQAGFLRFLRLLSAFDWRNNPLVVNLNKQLTAAEYTEIKNDFMASRESLPVMFIATPKDKKTSLWTRRAPSVQMLQRVMTVAAESLKVLEHQLMDGSQMQDVRVIMRPPLDAYDVLIYLNPKHVPLLRHAVDPPAVTFSRGVMSNGADQAGGAFPVVDYNPVSLYLTELREAFGDLALFFCDPYGGTVISVLWKPKAFVPAPFKTSHMAARSVEVTGEEVKTIPNVEAILEDFRVMGKGLVKSVEARTEKWMF
					

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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	31.8	Very low	32	Very low	241 Å²	241	164.2 Å²	164.2	100%	1.187	82%	0.824	S	S	*	*				0	152.7	0	-83.7	177.6	162.3	0	0	109.2
2	K	32.5	Very low	31.5	Very low	204 Å²	204	156.3 Å²	156.3	89%	0.887	82%	0.815	S	S	*	*			trans	46.5	92	174.2	-64.5	-178.2	178.4	179.4	0	115.5
3	K	29.7	Very low	31	Very low	187 Å²	187	159.6 Å²	159.6	81%	0.813	82%	0.824	S	S	*	*				80.4	114.4	75.5	-84.6	-168.3	173.7	-177.1	0	114.8
4	K	33.4	Very low	30.7	Very low	172 Å²	172	160.7 Å²	160.7	75%	0.748	83%	0.827	S	S	*	*				60.1	155	129.1	-63.2	-166.9	167.2	-157.8	0	118.8
5	Q	28.7	Very low	31.9	Very low	163 Å²	163	157.7 Å²	157.7	76%	0.762	82%	0.821	S	S	*	*			cis	-145.2	-170.4	8.6	-142.9	155.8	-57.8	0	0	112.6
6	T	28.9	Very low	33	Very low	117 Å²	117	155.3 Å²	155.3	72%	0.718	82%	0.818	S	S	*	*			trans	-122	169.7	-164.5	49.1	0	0	0	0	113.4
7	V	29.8	Very low	32.9	Very low	130 Å²	130	151.5 Å²	151.5	79%	0.788	81%	0.808	S	S	*	*			trans	75	137.2	154.6	156.1	0	0	0	0	115.6
8	T	28.7	Very low	32.9	Very low	111 Å²	111	150 Å²	150	68%	0.681	80%	0.8	S	S	*	*			cis	-132.5	-143.5	-3.6	-0.2	0	0	0	0	110.5
9	E	27.1	Very low	32.6	Very low	169 Å²	169	152.4 Å²	152.4	79%	0.79	80%	0.803	S	S	*	*			cis	-156.6	-169.2	5.3	-145.2	125	-91.9	0	0	111.3
10	E	27.7	Very low	32.5	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	79%	0.793	S	S	*	*			trans	-117.5	-152.8	-175.7	-60.6	-169	134.2	0	0	114.3
11	P	53.4	Low	32.5	Very low	128 Å²	128	149.8 Å²	149.8	83%	0.831	80%	0.796	S	S	*	*				-131	-175.8	-98.9	42.8	-25.2	0	0	0	116.6
12	G	25.7	Very low	32.3	Very low	69 Å²	69	141.4 Å²	141.4	71%	0.711	77%	0.771	S	S	*	*			trans	118	155	169.2	0	0	0	0	0	114.4
13	E	25.4	Very low	32.2	Very low	200 Å²	200	139.3 Å²	139.3	94%	0.935	77%	0.77	S	S	*	*			cis	-148.8	-177.9	-4.5	-69.4	-168.5	104.4	0	0	110.6
14	M	26.6	Very low	32.2	Very low	175 Å²	175	134 Å²	134	86%	0.862	77%	0.768	S	S	*	*			trans	-104.7	-168.6	170	-45.4	179.4	-71.5	0	0	110.2
15	P	49.5	Very low	31.9	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	78%	0.777	S	S	*	*			cis	-118.9	-133.5	-35.1	28.2	-3.3	0	0	0	107.7
16	P	49.7	Very low	32.1	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	78%	0.782	S	S	*	*			cis	-133.4	-151	-17.9	43.4	-22.4	0	0	0	115.2
17	S	31.2	Very low	32.3	Very low	92 Å²	92	139 Å²	139	64%	0.643	79%	0.786	S	S	*	*			trans	-77.5	-174.4	-175.5	54.7	0	0	0	0	114.8
18	D	32.3	Very low	32.2	Very low	124 Å²	124	141.7 Å²	141.7	66%	0.663	80%	0.795	S	S	*	*			cis	-141.4	-177	15.6	-82.6	-74.2	0	0	0	109.6
19	F	27	Very low	32.1	Very low	195 Å²	195	139.6 Å²	139.6	86%	0.855	80%	0.795	S	S	*	*				-170.2	-165.2	52.4	-110.4	-68.2	0	0	0	113
20	S	30.5	Very low	32.2	Very low	87 Å²	87	136.3 Å²	136.3	61%	0.608	80%	0.797	S	S	*	*			trans	-134.2	-172.7	-150.2	59.2	0	0	0	0	118
21	L	32.2	Very low	33.5	Very low	163 Å²	163	132.5 Å²	132.5	85%	0.853	79%	0.789	S	S	*	*			trans	80.7	142.7	175	-50.2	166.2	0	0	0	114.6
22	G	29.1	Very low	32.3	Very low	65 Å²	65	133.5 Å²	133.5	67%	0.67	79%	0.787	S	S	*	*			cis	172.3	179.4	1.2	0	0	0	0	0	108.1
23	D	30.1	Very low	32.3	Very low	160 Å²	160	140 Å²	140	86%	0.856	80%	0.796	S	S	*	*			cis	-168.6	173.3	-15.8	-71.9	-44.5	0	0	0	106
24	G	28.5	Very low	32.8	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	79%	0.785	S	S	*	*			cis	152.6	98.9	-6.5	0	0	0	0	0	112.4
25	E	28.3	Very low	32.8	Very low	202 Å²	202	136.7 Å²	136.7	94%	0.944	78%	0.784	S	S	*	*			trans	-149.8	177.9	-179.1	-138	173.5	-132.1	0	0	115.1
26	E	32.6	Very low	31.7	Very low	184 Å²	184	142.6 Å²	142.6	86%	0.86	79%	0.792	S	S	*	*			trans	-108.8	-169.1	-144	-69.8	-157	115.6	0	0	120.2
27	Q	32.2	Very low	30.7	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	79%	0.791	S	S	*	*			trans	-87.7	164.2	-161.7	-47.8	169.1	13.3	0	0	115.9
28	L	28.2	Very low	30.4	Very low	185 Å²	185	148.2 Å²	148.2	97%	0.969	80%	0.803	S	S	*	*			trans	-175	168	132	-102.4	164.3	0	0	0	111.1
29	G	27.4	Very low	30.3	Very low	67 Å²	67	148 Å²	148	69%	0.691	81%	0.811	S	S	*	*			trans	-178.3	-168.1	177.2	0	0	0	0	0	117.7
30	A	28.9	Very low	30.4	Very low	101 Å²	101	142 Å²	142	84%	0.835	80%	0.804	S	S	*	*			trans	79	167.2	175.3	0	0	0	0	0	117.2
31	P	53.7	Low	30.2	Very low	104 Å²	104	147.5 Å²	147.5	68%	0.675	82%	0.82	S	S	*	*				-143.5	-173.5	-56.8	41.9	-27.1	0	0	0	116.2
32	N	28.3	Very low	30.6	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	82%	0.824	S	S	*	*			trans	81.8	130	147.8	-70.5	-22.5	0	0	0	122.8
33	K	27.1	Very low	30.6	Very low	205 Å²	205	155.2 Å²	155.2	89%	0.891	83%	0.834	S	S	*	*				-155.5	162.3	125.3	-105.9	171	-175.3	176.8	0	111.2
34	P	35.8	Very low	30.6	Very low	110 Å²	110	156.1 Å²	156.1	71%	0.714	83%	0.833	S	S	*	*			trans	-130.1	-171.9	-153.2	44	-30.6	0	0	0	117.4
35	K	26.7	Very low	30.6	Very low	195 Å²	195	158.3 Å²	158.3	85%	0.848	83%	0.832	S	S	*	*			trans	94.1	86.2	158.8	-69.8	178.6	176.4	-176.4	0	120.9
36	R	26.1	Very low	30.8	Very low	240 Å²	240	153.5 Å²	153.5	91%	0.906	82%	0.816	S	S	*	*				20.3	140.1	116	-140.7	-169.8	-171.5	175	3.3	120.5
37	V	28.1	Very low	30.8	Very low	123 Å²	123	154.9 Å²	154.9	75%	0.745	82%	0.815	S	S	*	*			trans	86.7	101.3	156.9	-164.5	0	0	0	0	118.9
38	K	25.7	Very low	30.8	Very low	206 Å²	206	154.3 Å²	154.3	90%	0.896	81%	0.812	S	S	*	*				-160.4	172.3	107.9	-110.3	-171.4	179.4	-172.2	0	111.2
39	S	30.1	Very low	31.1	Very low	120 Å²	120	151.2 Å²	151.2	84%	0.839	80%	0.803	S	S	*	*			trans	-128.2	140.6	-174.7	53.6	0	0	0	0	110.9
40	G	29	Very low	31.9	Very low	69 Å²	69	153.9 Å²	153.9	71%	0.711	81%	0.805	S	S	*	*			trans	160.9	144	167.8	0	0	0	0	0	113.5
41	E	26.4	Very low	32.6	Very low	201 Å²	201	159.1 Å²	159.1	94%	0.939	81%	0.809	S	S	*	*			trans	72	158	163.1	-69	158.7	-150.4	0	0	118.2
42	E	40.6	Very low	32.2	Very low	201 Å²	201	159.1 Å²	159.1	94%	0.939	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-103	119.9	-163.4	-60.6	169.8	132.4	0	0	109.7
43	E	27.8	Very low	33.7	Very low	190 Å²	190	154.8 Å²	154.8	89%	0.888	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-97.6	126.6	174.8	-71.3	-169.5	143.8	0	0	111.4
44	E	30.2	Very low	35.1	Very low	178 Å²	178	155 Å²	155	83%	0.832	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-62.4	132.9	168.5	-63.9	-177.2	117.1	0	0	110.3	V46	E44-V46 VanDerWaalsContact C-N 3.29Å; E44-V46 PolarHBondContact O-N 3.13Å
45	V	30.5	Very low	36	Very low	122 Å²	122	156.2 Å²	156.2	74%	0.739	78%	0.78	S	S	*	*			trans	-75.9	82.4	177.1	-175.9	0	0	0	0	110	Y47	V45-Y47 WeakPolarHBondContact O-CD2 3.5Å; V45-Y47 PolarHBondContact O-N 2.67Å
46	V	31.4	Very low	37.5	Very low	101 Å²	101	150.2 Å²	150.2	61%	0.612	76%	0.757	S	S	*	*			trans	-71.3	107.8	174.6	179.3	0	0	0	0	109.7	E44 H48	E44-V46 VanDerWaalsContact C-N 3.29Å; E44-V46 PolarHBondContact O-N 3.13Å; V46-H48 PolarHBondContact O-N 2.93Å
47	Y	32.1	Very low	38.7	Very low	213 Å²	213	144.3 Å²	144.3	84%	0.835	74%	0.743	S	S	*	*			trans	-65.9	112.1	176.6	-74.3	-92.8	0	0	0	111.6	V45	V45-Y47 WeakPolarHBondContact O-CD2 3.5Å; V45-Y47 PolarHBondContact O-N 2.67Å
48	H	32.2	Very low	40.3	Very low	161 Å²	161	147.7 Å²	147.7	75%	0.745	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-87.6	130.6	168.3	-74.2	-25.2	0	0	0	111.3	V46 V50	V46-H48 PolarHBondContact O-N 2.93Å; H48-V50 PolarHBondContact O-N 2.92Å
49	P	35.3	Very low	42.2	Very low	120 Å²	120	145.7 Å²	145.7	78%	0.779	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-71.4	120.9	176.6	28.3	-33.4	0	0	0	111.2	K51	P49-K51 PolarHBondContact O-N 2.86Å
50	V	44.7	Very low	43.7	Very low	122 Å²	122	145 Å²	145	74%	0.739	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-67.8	128.9	177.5	-179.9	0	0	0	0	110.4	H48 L52	H48-V50 PolarHBondContact O-N 2.92Å; V50-L52 VanDerWaalsContact C-N 3.35Å; V50-L52 HydrophobicContact CG1-CD2 4.39Å; V50-L52 PolarHBondContact O-N 3.23Å
51	K	42.1	Very low	45.4	Very low	211 Å²	211	145 Å²	145	92%	0.917	71%	0.71	S	S	*	*			trans	-77.4	83	173.6	-71.9	-176.1	178.1	177.3	0	110.8	P49	P49-K51 PolarHBondContact O-N 2.86Å
52	L	46.6	Very low	47.8	Very low	105 Å²	105	137.8 Å²	137.8	55%	0.55	68%	0.68	S	S	.	*			trans	-63.5	147.9	170.8	-67.3	172.3	0	0	0	111.4	V50 D56 L57	V50-L52 VanDerWaalsContact C-N 3.35Å; V50-L52 HydrophobicContact CG1-CD2 4.39Å; V50-L52 PolarHBondContact O-N 3.23Å; L52-D56 HydrophobicContact CB-CB 4.2Å; L52-D56 HydrophobicContact CD2-CB 4.13Å; L52-L57 HydrophobicContact CB-CG 4.46Å
53	S	60	Low	48.6	Very low	57 Å²	57	131.6 Å²	131.6	40%	0.399	66%	0.663	S	S	.	*			trans	-79	166.8	175.2	85.1	0	0	0	0	111.6	N55 D56 L57	S53-N55 PolarHBondContact O-N 2.99Å; S53-N55 PolarHBondContact OG-N 3.1Å; S53-D56 WeakPolarHBondContact CA-OD2 3.42Å; S53-D56 WeakPolarHBondContact CB-OD2 3.28Å; S53-D56 PolarHBondContact N-OD2 3.38Å; S53-D56 PolarHBondContact O-N 2.94Å; S53-D56 VanDerWaalsContact O-N 3.13Å; S53-D56 PolarHBondContact OG-N 3.34Å; S53-D56 PolarHBondContact OG-OD2 3.33Å; S53-L57 PolarHBondContact O-N 3.31Å
54	R	56.4	Low	49.8	Very low	211 Å²	211	129.6 Å²	129.6	80%	0.796	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	177.2	-173.9	169.1	171.5	168.8	-2.4	113.5
55	N	53.1	Low	51.3	Low	135 Å²	135	125.8 Å²	125.8	72%	0.722	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-32.4	173.3	-73.7	1.2	0	0	0	112.2	S53 Y58 R59	S53-N55 PolarHBondContact O-N 2.99Å; S53-N55 PolarHBondContact OG-N 3.1Å; N55-Y58 PolarHBondContact O-N 3.45Å; N55-R59 PolarHBondContact O-N 2.95Å
56	D	58.2	Low	52.9	Low	68 Å²	68	123.9 Å²	123.9	36%	0.364	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-69.9	-36.7	179.1	-52.9	-57.7	0	0	0	111.3	L52 S53 Y58 R59	L52-D56 HydrophobicContact CB-CB 4.2Å; L52-D56 HydrophobicContact CD2-CB 4.13Å; S53-D56 WeakPolarHBondContact CA-OD2 3.42Å; S53-D56 WeakPolarHBondContact CB-OD2 3.28Å; S53-D56 PolarHBondContact N-OD2 3.38Å; S53-D56 PolarHBondContact O-N 2.94Å; S53-D56 VanDerWaalsContact O-N 3.13Å; S53-D56 PolarHBondContact OG-N 3.34Å; S53-D56 PolarHBondContact OG-OD2 3.33Å; D56-Y58 PolarHBondContact O-N 3.39Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 PolarHBondContact O-N 3.02Å; D56-R59 VanDerWaalsContact O-N 3.11Å
57	L	52.4	Low	54	Low	116 Å²	116	123.6 Å²	123.6	61%	0.607	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-60.2	-13.3	176.6	-78	166.2	0	0	0	115.3	L52 S53	L52-L57 HydrophobicContact CB-CG 4.46Å; S53-L57 PolarHBondContact O-N 3.31Å
58	Y	61	Low	55	Low	195 Å²	195	119.5 Å²	119.5	77%	0.765	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-125.8	13.1	178.1	-68.1	-88.6	0	0	0	112.7	N55 D56	N55-Y58 PolarHBondContact O-N 3.45Å; D56-Y58 PolarHBondContact O-N 3.39Å
59	R	65.6	Low	56.1	Low	164 Å²	164	117 Å²	117	62%	0.619	60%	0.596	S	S	*	*	S	Bend	trans	-70.9	132.4	174.4	-165.6	176.2	-174.3	166.4	-0.8	108.9	N55 D56	N55-R59 PolarHBondContact O-N 2.95Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 PolarHBondContact O-N 3.02Å; D56-R59 VanDerWaalsContact O-N 3.11Å
60	P	61.4	Low	57	Low	106 Å²	106	118 Å²	118	69%	0.688	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-60.9	135.9	169.4	26.6	-33.4	0	0	0	108.6	T62	P60-T62 PolarHBondContact O-N 3.36Å
61	P	64.8	Low	57.4	Low	68 Å²	68	116.1 Å²	116.1	44%	0.442	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-61.6	137.5	-174.7	26.3	-35.2	0	0	0	110.4	E65 L66	P61-E65 HydrophobicContact CB-CB 4.23Å; P61-L66 HydrophobicContact CB-CD2 4.46Å; P61-L66 HydrophobicContact CB-CG 4.07Å; P61-L66 HydrophobicContact CG-CD1 4.27Å; P61-L66 HydrophobicContact CG-CD2 3.91Å; P61-L66 HydrophobicContact CG-CG 3.89Å
62	T	76.5	Confident	57.8	Low	50 Å²	50	108.9 Å²	108.9	31%	0.307	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-64.5	164	178.6	60.1	0	0	0	0	111.3	P60 E64 E65 L66	P60-T62 PolarHBondContact O-N 3.36Å; T62-E64 PolarHBondContact O-N 2.98Å; T62-E65 VanDerWaalsContact CB-OE2 3.29Å; T62-E65 WeakPolarHBondContact CB-OE2 3.48Å; T62-E65 VanDerWaalsContact CG2-OE2 3.3Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.47Å; T62-E65 PolarHBondContact N-OE2 2.94Å; T62-E65 PolarHBondContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CB 3.42Å; T62-E65 VanDerWaalsContact OG1-CD 3.28Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.32Å; T62-E65 PolarHBondContact OG1-N 3.39Å; T62-E65 PolarHBondContact OG1-OE2 3.12Å; T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 3.16Å
63	A	57.6	Low	58.1	Low	71 Å²	71	112.3 Å²	112.3	59%	0.587	56%	0.564	S	S	*	*	H	α-helix	trans	-59.5	-31.4	175.2	0	0	0	0	0	112.4	N67	A63-N67 WeakPolarHBondContact O-CB 3.48Å; A63-N67 PolarHBondContact O-N 2.72Å; A63-N67 PolarHBondContact O-ND2 2.88Å
64	E	53.9	Low	57.7	Low	148 Å²	148	111.6 Å²	111.6	69%	0.692	56%	0.559	S	S	*	*	H	α-helix	trans	-73.4	-43.5	176.7	-64.8	177.7	164.5	0	0	111.4	T62 N67 H68	T62-E64 PolarHBondContact O-N 2.98Å; E64-N67 PolarHBondContact O-N 2.73Å; E64-H68 WeakPolarHBondContact O-CB 3.17Å; E64-H68 PolarHBondContact O-N 2.92Å
65	E	62.3	Low	57.2	Low	98 Å²	98	106.8 Å²	106.8	46%	0.458	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-39.1	173.5	-70	160.6	133.6	0	0	112.3	P61 T62 H68 L69	P61-E65 HydrophobicContact CB-CB 4.23Å; T62-E65 VanDerWaalsContact CB-OE2 3.29Å; T62-E65 WeakPolarHBondContact CB-OE2 3.48Å; T62-E65 VanDerWaalsContact CG2-OE2 3.3Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.47Å; T62-E65 PolarHBondContact N-OE2 2.94Å; T62-E65 PolarHBondContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CB 3.42Å; T62-E65 VanDerWaalsContact OG1-CD 3.28Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.32Å; T62-E65 PolarHBondContact OG1-N 3.39Å; T62-E65 PolarHBondContact OG1-OE2 3.12Å; E65-H68 PolarHBondContact O-N 3.12Å; E65-L69 WeakPolarHBondContact O-CB 3.27Å; E65-L69 VanDerWaalsContact O-CG 3.26Å; E65-L69 WeakPolarHBondContact O-CG 3.27Å; E65-L69 PolarHBondContact O-N 3.03Å
66	L	63.8	Low	57.1	Low	81 Å²	81	108.1 Å²	108.1	42%	0.424	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-37.2	174.4	-80.9	166.9	0	0	0	112.6	P61 T62 K70	P61-L66 HydrophobicContact CB-CD2 4.46Å; P61-L66 HydrophobicContact CB-CG 4.07Å; P61-L66 HydrophobicContact CG-CD1 4.27Å; P61-L66 HydrophobicContact CG-CD2 3.91Å; P61-L66 HydrophobicContact CG-CG 3.89Å; T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 3.16Å; L66-K70 WeakPolarHBondContact O-CG 2.76Å; L66-K70 PolarHBondContact O-N 3.32Å; L66-K70 VanDerWaalsContact O-N 3.13Å
67	N	54.4	Low	56.9	Low	95 Å²	95	110 Å²	110	51%	0.508	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-46.9	173	-75	-20.2	0	0	0	110.6	A63 E64 L69 K70 E71	A63-N67 WeakPolarHBondContact O-CB 3.48Å; A63-N67 PolarHBondContact O-N 2.72Å; A63-N67 PolarHBondContact O-ND2 2.88Å; E64-N67 PolarHBondContact O-N 2.73Å; N67-L69 VanDerWaalsContact C-N 3.31Å; N67-L69 PolarHBondContact O-N 3.25Å; N67-K70 PolarHBondContact O-N 3.02Å; N67-E71 WeakPolarHBondContact O-CB 3.45Å; N67-E71 WeakPolarHBondContact O-CG 3.44Å; N67-E71 PolarHBondContact O-N 2.95Å
68	H	52.4	Low	57.3	Low	128 Å²	128	106.1 Å²	106.1	59%	0.593	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-34.2	176.4	-84.5	-45.7	0	0	0	113.4	E64 E65 E71 A72	E64-H68 WeakPolarHBondContact O-CB 3.17Å; E64-H68 PolarHBondContact O-N 2.92Å; E65-H68 PolarHBondContact O-N 3.12Å; H68-E71 IonicContact ND1-OE2 2.82Å; H68-A72 WeakPolarHBondContact O-CB 3.19Å; H68-A72 PolarHBondContact O-N 3.22Å
69	L	55.5	Low	57.6	Low	109 Å²	109	100 Å²	100	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-67.2	-44.8	173.3	-77.4	165.7	0	0	0	111.8	E65 N67 A72 E73	E65-L69 WeakPolarHBondContact O-CB 3.27Å; E65-L69 VanDerWaalsContact O-CG 3.26Å; E65-L69 WeakPolarHBondContact O-CG 3.27Å; E65-L69 PolarHBondContact O-N 3.03Å; N67-L69 VanDerWaalsContact C-N 3.31Å; N67-L69 PolarHBondContact O-N 3.25Å; L69-A72 PolarHBondContact O-N 3.12Å; L69-E73 WeakPolarHBondContact O-CB 3.37Å; L69-E73 PolarHBondContact O-N 3.39Å
70	K	55	Low	58.1	Low	140 Å²	140	96 Å²	96	61%	0.609	51%	0.513	S	S	*	.	H	α-helix	trans	-66.6	-37.1	175.3	-76.5	179.7	173.8	-178.1	0	113	L66 N67 S74	L66-K70 WeakPolarHBondContact O-CG 2.76Å; L66-K70 PolarHBondContact O-N 3.32Å; L66-K70 VanDerWaalsContact O-N 3.13Å; N67-K70 PolarHBondContact O-N 3.02Å; K70-S74 WeakPolarHBondContact O-CB 3.5Å; K70-S74 PolarHBondContact O-N 3.43Å; K70-S74 PolarHBondContact O-OG 2.96Å
71	E	52.8	Low	58.8	Low	83 Å²	83	91.9 Å²	91.9	39%	0.388	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-45.9	172.6	-74.3	-177.7	166.5	0	0	109.9	N67 H68 E73 S74 L75	N67-E71 WeakPolarHBondContact O-CB 3.45Å; N67-E71 WeakPolarHBondContact O-CG 3.44Å; N67-E71 PolarHBondContact O-N 2.95Å; H68-E71 IonicContact ND1-OE2 2.82Å; E71-E73 PolarHBondContact O-N 3.43Å; E71-S74 CarbonylContact O-C 3.24Å; E71-S74 PolarHBondContact O-N 2.87Å; E71-S74 VanDerWaalsContact O-N 3.1Å; E71-S74 PolarHBondContact O-OG 2.69Å; E71-L75 VanDerWaalsContact O-CA 3.25Å; E71-L75 WeakPolarHBondContact O-CA 3.38Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CG 3.14Å; E71-L75 PolarHBondContact O-N 2.85Å
72	A	50.7	Low	59.4	Low	59 Å²	59	93.9 Å²	93.9	49%	0.488	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.8	0	0	0	0	0	113.2	H68 L69 S74 L75	H68-A72 WeakPolarHBondContact O-CB 3.19Å; H68-A72 PolarHBondContact O-N 3.22Å; L69-A72 PolarHBondContact O-N 3.12Å; A72-S74 PolarHBondContact O-N 2.86Å; A72-L75 PolarHBondContact O-N 2.73Å
73	E	52.1	Low	59.8	Low	177 Å²	177	96.8 Å²	96.8	83%	0.827	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-26.9	175.6	-172.3	171.2	-148.9	0	0	112.5	L69 E71	L69-E73 WeakPolarHBondContact O-CB 3.37Å; L69-E73 PolarHBondContact O-N 3.39Å; E71-E73 PolarHBondContact O-N 3.43Å
74	S	50.6	Low	61.2	Low	42 Å²	42	95.3 Å²	95.3	29%	0.294	48%	0.479	S	S	.	.	H	α-helix	trans	-107.6	0.8	-179.5	63.5	0	0	0	0	115.1	K70 E71 A72 F76 H77 C78	K70-S74 WeakPolarHBondContact O-CB 3.5Å; K70-S74 PolarHBondContact O-N 3.43Å; K70-S74 PolarHBondContact O-OG 2.96Å; E71-S74 CarbonylContact O-C 3.24Å; E71-S74 PolarHBondContact O-N 2.87Å; E71-S74 VanDerWaalsContact O-N 3.1Å; E71-S74 PolarHBondContact O-OG 2.69Å; A72-S74 PolarHBondContact O-N 2.86Å; S74-F76 VanDerWaalsContact C-N 3.3Å; S74-F76 PolarHBondContact O-N 2.59Å; S74-F76 VanDerWaalsContact O-N 3.09Å; S74-H77 PolarHBondContact O-N 3.31Å; S74-H77 VanDerWaalsContact O-N 3.08Å; S74-C78 WeakPolarHBondContact O-CB 3.16Å; S74-C78 PolarHBondContact O-N 3.16Å; S74-C78 PolarHBondContact OG-SG 2.91Å
75	L	47.3	Very low	62.9	Low	110 Å²	110	88.5 Å²	88.5	58%	0.576	45%	0.448	S	S	*	.	H	α-helix	trans	-52.9	-42.4	-163.6	-107.4	177.5	0	0	0	113.7	E71 A72 S79	E71-L75 VanDerWaalsContact O-CA 3.25Å; E71-L75 WeakPolarHBondContact O-CA 3.38Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CG 3.14Å; E71-L75 PolarHBondContact O-N 2.85Å; A72-L75 PolarHBondContact O-N 2.73Å; L75-S79 VanDerWaalsContact O-CB 3.3Å; L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 2.9Å; L75-S79 PolarHBondContact O-OG 3.36Å
76	F	49.6	Very low	64.2	Low	163 Å²	163	87.8 Å²	87.8	72%	0.715	44%	0.444	S	S	*	.	H	α-helix	trans	-68.5	-47.2	-178.9	-171	-99.3	0	0	0	112.2	S74 S79 L80	S74-F76 VanDerWaalsContact C-N 3.3Å; S74-F76 PolarHBondContact O-N 2.59Å; S74-F76 VanDerWaalsContact O-N 3.09Å; F76-S79 PolarHBondContact O-OG 2.87Å; F76-L80 PolarHBondContact O-N 3.06Å
77	H	55.8	Low	65.6	Low	107 Å²	107	90 Å²	90	50%	0.495	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-45.8	175.2	-80.9	-94	0	0	0	111.1	S74 S79 L80 L81	S74-H77 PolarHBondContact O-N 3.31Å; S74-H77 VanDerWaalsContact O-N 3.08Å; H77-S79 VanDerWaalsContact C-N 3.34Å; H77-S79 PolarHBondContact O-N 3.4Å; H77-L80 PolarHBondContact O-N 3.34Å; H77-L81 VanDerWaalsContact O-CB 3.26Å; H77-L81 WeakPolarHBondContact O-CB 3.18Å; H77-L81 WeakPolarHBondContact O-CG 3.21Å; H77-L81 PolarHBondContact O-N 3.24Å
78	C	60	Low	67.5	Low	34 Å²	34	86 Å²	86	23%	0.23	43%	0.431	C	S	.	.	H	α-helix	trans	-63	-35.2	-179.6	-76.2	0	0	0	0	113.3	S74 K82	S74-C78 WeakPolarHBondContact O-CB 3.16Å; S74-C78 PolarHBondContact O-N 3.16Å; S74-C78 PolarHBondContact OG-SG 2.91Å; C78-K82 WeakPolarHBondContact O-CB 3.33Å; C78-K82 PolarHBondContact O-N 3.13Å
79	S	67.4	Low	69.5	Low	67 Å²	67	81 Å²	81	47%	0.469	41%	0.409	S	S	.	.	H	α-helix	trans	-71.3	-42.9	176.1	52.9	0	0	0	0	112.9	L75 F76 H77 K82 M83	L75-S79 VanDerWaalsContact O-CB 3.3Å; L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 2.9Å; L75-S79 PolarHBondContact O-OG 3.36Å; F76-S79 PolarHBondContact O-OG 2.87Å; H77-S79 VanDerWaalsContact C-N 3.34Å; H77-S79 PolarHBondContact O-N 3.4Å; S79-K82 PolarHBondContact O-N 2.79Å; S79-M83 PolarHBondContact O-N 3.44Å; S79-M83 VanDerWaalsContact O-N 3.1Å
80	L	75.2	Confident	71.2	Confident	80 Å²	80	82.5 Å²	82.5	42%	0.419	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-48.5	174.4	179.4	59.5	0	0	0	111.8	F76 H77 K82 M83 Q84	F76-L80 PolarHBondContact O-N 3.06Å; H77-L80 PolarHBondContact O-N 3.34Å; L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 2.85Å; L80-M83 HydrophobicContact CD1-CE 4.13Å; L80-M83 WeakPolarHBondContact O-CB 3.01Å; L80-M83 PolarHBondContact O-N 3.18Å; L80-M83 VanDerWaalsContact O-N 3.1Å; L80-Q84 HydrophobicContact CD1-CG 4.36Å; L80-Q84 WeakPolarHBondContact O-CG 3.27Å; L80-Q84 PolarHBondContact O-N 3.14Å
81	L	75.9	Confident	73	Confident	20 Å²	20	81.9 Å²	81.9	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-57.6	-40.8	176.8	-72.5	171.9	0	0	0	111.7	H77 Q84 M85 W445 F453	H77-L81 VanDerWaalsContact O-CB 3.26Å; H77-L81 WeakPolarHBondContact O-CB 3.18Å; H77-L81 WeakPolarHBondContact O-CG 3.21Å; H77-L81 PolarHBondContact O-N 3.24Å; L81-Q84 PolarHBondContact O-N 3.49Å; L81-M85 WeakPolarHBondContact O-CB 3.43Å; L81-M85 VanDerWaalsContact O-CG 3.3Å; L81-M85 WeakPolarHBondContact O-CG 3.45Å; L81-M85 PolarHBondContact O-N 2.96Å; L81-W445 HydrophobicContact CD1-CZ2 4.33Å; L81-F453 HydrophobicContact CD2-CB 3.73Å
82	K	77.8	Confident	74.9	Confident	110 Å²	110	78.8 Å²	78.8	48%	0.478	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-46.6	174.9	177	178	170.1	-179.4	0	111.5	C78 S79 L80 Q84 M85 E86	C78-K82 WeakPolarHBondContact O-CB 3.33Å; C78-K82 PolarHBondContact O-N 3.13Å; S79-K82 PolarHBondContact O-N 2.79Å; L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 2.85Å; K82-Q84 PolarHBondContact O-N 3.12Å; K82-M85 PolarHBondContact O-N 3.08Å; K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 WeakPolarHBondContact O-CG 3.38Å; K82-E86 PolarHBondContact O-N 3.05Å
83	M	84.4	Confident	76.8	Confident	110 Å²	110	78.5 Å²	78.5	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-45.8	177.8	-169.6	-175.1	78.7	0	0	111.7	S79 L80 M85 E86 E87	S79-M83 PolarHBondContact O-N 3.44Å; S79-M83 VanDerWaalsContact O-N 3.1Å; L80-M83 HydrophobicContact CD1-CE 4.13Å; L80-M83 WeakPolarHBondContact O-CB 3.01Å; L80-M83 PolarHBondContact O-N 3.18Å; L80-M83 VanDerWaalsContact O-N 3.1Å; M83-M85 VanDerWaalsContact C-N 3.34Å; M83-M85 PolarHBondContact O-N 3.28Å; M83-E86 PolarHBondContact O-N 2.93Å; M83-E87 PolarHBondContact O-N 2.88Å
84	Q	89.1	Confident	78.6	Confident	40 Å²	40	70.9 Å²	70.9	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-39.5	176.9	-68	174.4	-62.5	0	0	112.1	L80 L81 K82 E87 L88 F453	L80-Q84 HydrophobicContact CD1-CG 4.36Å; L80-Q84 WeakPolarHBondContact O-CG 3.27Å; L80-Q84 PolarHBondContact O-N 3.14Å; L81-Q84 PolarHBondContact O-N 3.49Å; K82-Q84 PolarHBondContact O-N 3.12Å; Q84-E87 PolarHBondContact O-N 3.27Å; Q84-L88 WeakPolarHBondContact O-CB 3.35Å; Q84-L88 PolarHBondContact O-N 3.06Å; Q84-F453 HydrophobicContact CB-CD1 4.02Å; Q84-F453 HydrophobicContact CB-CD2 3.74Å; Q84-F453 HydrophobicContact CB-CE1 3.93Å; Q84-F453 HydrophobicContact CB-CE2 3.64Å; Q84-F453 HydrophobicContact CB-CG 3.94Å; Q84-F453 HydrophobicContact CB-CZ 3.74Å; Q84-F453 HydrophobicContact CG-CD1 4.37Å; Q84-F453 HydrophobicContact CG-CE1 4.5Å; Q84-F453 WeakPolarHBondContact O-CZ 3.35Å
85	M	88.4	Confident	80.6	Confident	5 Å²	5	72 Å²	72	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-70.4	-39.4	175.4	-71.6	-179	-160.8	0	0	112.9	L81 K82 M83 E87 L88 L89 L327 Y369 W445 F453 L457	L81-M85 WeakPolarHBondContact O-CB 3.43Å; L81-M85 VanDerWaalsContact O-CG 3.3Å; L81-M85 WeakPolarHBondContact O-CG 3.45Å; L81-M85 PolarHBondContact O-N 2.96Å; K82-M85 PolarHBondContact O-N 3.08Å; M83-M85 VanDerWaalsContact C-N 3.34Å; M83-M85 PolarHBondContact O-N 3.28Å; M85-E87 VanDerWaalsContact C-N 3.27Å; M85-E87 PolarHBondContact O-N 2.9Å; M85-L88 PolarHBondContact O-N 2.65Å; M85-L89 VanDerWaalsContact O-CB 3.31Å; M85-L89 WeakPolarHBondContact O-CB 3.46Å; M85-L89 WeakPolarHBondContact O-CD1 3.23Å; M85-L89 WeakPolarHBondContact O-CG 3.36Å; M85-L89 PolarHBondContact O-N 2.86Å; M85-L327 HydrophobicContact CB-CD1 4.45Å; M85-L327 HydrophobicContact CB-CD2 4.38Å; M85-L327 HydrophobicContact CG-CD1 4.37Å; M85-L327 HydrophobicContact CG-CD2 4.26Å; M85-L327 HydrophobicContact SD-CD1 3.83Å; M85-Y369 HydrophobicContact CE-CD2 3.78Å; M85-Y369 HydrophobicContact CE-CG 4.3Å; M85-Y369 HydrophobicContact SD-CD2 4.19Å; M85-Y369 HydrophobicContact SD-CG 4.23Å; M85-W445 HydrophobicContact CE-CH2 3.44Å; M85-W445 VanDerWaalsContact CE-CH2 3.44Å; M85-W445 HydrophobicContact CE-CZ2 3.46Å; M85-W445 VanDerWaalsContact CE-CZ2 3.46Å; M85-F453 HydrophobicContact CG-CD2 4.16Å; M85-F453 HydrophobicContact CG-CE2 3.98Å; M85-L457 HydrophobicContact CE-CD1 4.33Å; M85-L457 HydrophobicContact CG-CD1 4.43Å
86	E	90.1	Very high	82.6	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-31.1	174.1	-75.2	-178.4	-159.9	0	0	112.4	K82 M83 K90	K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 WeakPolarHBondContact O-CG 3.38Å; K82-E86 PolarHBondContact O-N 3.05Å; M83-E86 PolarHBondContact O-N 2.93Å; E86-K90 WeakPolarHBondContact O-CD 3.49Å; E86-K90 WeakPolarHBondContact O-CE 3.07Å; E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.44Å; E86-K90 PolarHBondContact O-NZ 3.2Å
87	E	93.6	Very high	84.6	Confident	128 Å²	128	73.4 Å²	73.4	60%	0.598	36%	0.361	S	S	*	.	H	α-helix	trans	-71.7	-49.7	172.4	-173.4	162.9	-149.6	0	0	111.5	M83 Q84 M85 L89 K90 E91	M83-E87 PolarHBondContact O-N 2.88Å; Q84-E87 PolarHBondContact O-N 3.27Å; M85-E87 VanDerWaalsContact C-N 3.27Å; M85-E87 PolarHBondContact O-N 2.9Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 2.95Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 2.95Å; E87-E91 PolarHBondContact O-N 2.97Å
88	L	94	Very high	86.2	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-55.7	-42	174.4	178.2	63.3	0	0	0	112.4	Q84 M85 K90 E91 V92 L327 V330 F453 L457 M458	Q84-L88 WeakPolarHBondContact O-CB 3.35Å; Q84-L88 PolarHBondContact O-N 3.06Å; M85-L88 PolarHBondContact O-N 2.65Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.85Å; L88-E91 PolarHBondContact O-N 3.08Å; L88-E91 VanDerWaalsContact O-N 3.15Å; L88-V92 HydrophobicContact CD1-CG1 3.88Å; L88-V92 HydrophobicContact CG-CG1 4.43Å; L88-V92 WeakPolarHBondContact O-CG2 3.39Å; L88-V92 PolarHBondContact O-N 2.99Å; L88-L327 HydrophobicContact CD2-CD2 4.02Å; L88-V330 HydrophobicContact CD2-CG1 4.4Å; L88-F453 HydrophobicContact CB-CE2 4.38Å; L88-F453 HydrophobicContact CB-CZ 4.07Å; L88-F453 HydrophobicContact CD2-CE2 4Å; L88-F453 HydrophobicContact CD2-CZ 4.04Å; L88-L457 HydrophobicContact CD2-CB 3.96Å; L88-L457 HydrophobicContact CD2-CD1 3.9Å; L88-L457 HydrophobicContact CD2-CG 4.44Å; L88-M458 HydrophobicContact CD1-SD 3.92Å
89	L	93.3	Very high	87.8	Confident	22 Å²	22	72 Å²	72	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-38.2	176.6	-77.1	164.5	0	0	0	112.2	M85 E87 E91 S93 D323 A326 L327	M85-L89 VanDerWaalsContact O-CB 3.31Å; M85-L89 WeakPolarHBondContact O-CB 3.46Å; M85-L89 WeakPolarHBondContact O-CD1 3.23Å; M85-L89 WeakPolarHBondContact O-CG 3.36Å; M85-L89 PolarHBondContact O-N 2.86Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 2.95Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-S93 WeakPolarHBondContact O-CB 3.37Å; L89-S93 PolarHBondContact O-N 3.01Å; L89-S93 VanDerWaalsContact O-N 3.13Å; L89-S93 PolarHBondContact O-OG 3.32Å; L89-D323 HydrophobicContact CD1-CB 3.86Å; L89-D323 HydrophobicContact CD2-CB 3.96Å; L89-A326 HydrophobicContact CD2-CB 3.82Å; L89-L327 HydrophobicContact CD2-CD2 4.37Å; L89-L327 HydrophobicContact CD2-CG 4.24Å; L89-L327 HydrophobicContact CG-CD2 4.24Å; L89-L327 HydrophobicContact CG-CG 4.45Å
90	K	92.1	Very high	89	Confident	141 Å²	141	75 Å²	75	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-67.2	-35.3	173	-66.6	156	-162.1	151	0	111.4	E86 E87 L88 S93	E86-K90 WeakPolarHBondContact O-CD 3.49Å; E86-K90 WeakPolarHBondContact O-CE 3.07Å; E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.44Å; E86-K90 PolarHBondContact O-NZ 3.2Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 2.95Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.85Å; K90-S93 PolarHBondContact O-OG 3.45Å
91	E	92.4	Very high	89.8	Confident	127 Å²	127	73.5 Å²	73.5	59%	0.593	35%	0.346	S	S	*	.	H	α-helix	trans	-72	-46.3	176.9	-172.7	171.8	-159.1	0	0	112.6	E87 L88 L89 K170	E87-E91 PolarHBondContact O-N 2.97Å; L88-E91 PolarHBondContact O-N 3.08Å; L88-E91 VanDerWaalsContact O-N 3.15Å; L89-E91 VanDerWaalsContact C-N 3.34Å; E91-K170 WeakPolarHBondContact O-CD 3.33Å; E91-K170 PolarHBondContact O-NZ 3.49Å
92	V	92.4	Very high	90.7	Very high	17 Å²	17	72.6 Å²	72.6	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-80.2	-23.2	-175.4	-56.5	0	0	0	0	114.3	L88 V169 K170 V330	L88-V92 HydrophobicContact CD1-CG1 3.88Å; L88-V92 HydrophobicContact CG-CG1 4.43Å; L88-V92 WeakPolarHBondContact O-CG2 3.39Å; L88-V92 PolarHBondContact O-N 2.99Å; V92-V169 HydrophobicContact CB-CB 4.32Å; V92-V169 HydrophobicContact CB-CG1 4.41Å; V92-V169 HydrophobicContact CG2-CG1 4.05Å; V92-V169 CarbonylContact O-C 3.51Å; V92-V169 WeakPolarHBondContact O-CA 3.49Å; V92-K170 WeakPolarHBondContact O-CG 3.33Å; V92-K170 PolarHBondContact O-N 2.98Å; V92-V330 HydrophobicContact CG1-CG2 4.03Å; V92-V330 HydrophobicContact CG2-CG2 4.43Å
93	S	90.9	Very high	91.5	Very high	53 Å²	53	70.9 Å²	70.9	37%	0.371	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-74.1	155.9	-176.4	57.5	0	0	0	0	114.2	L89 K90 S95 K170	L89-S93 WeakPolarHBondContact O-CB 3.37Å; L89-S93 PolarHBondContact O-N 3.01Å; L89-S93 VanDerWaalsContact O-N 3.13Å; L89-S93 PolarHBondContact O-OG 3.32Å; K90-S93 PolarHBondContact O-OG 3.45Å; S93-S95 PolarHBondContact O-N 3.19Å; S93-K170 WeakPolarHBondContact O-CE 3.31Å; S93-K170 PolarHBondContact O-NZ 2.86Å
94	L	91.1	Very high	92	Very high	18 Å²	18	69.2 Å²	69.2	9%	0.094	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.8	125.4	179.3	-61.7	-173.8	0	0	0	111.9	K99 I102 Y163 C168 I173	L94-K99 HydrophobicContact CB-CG 4.08Å; L94-K99 VanDerWaalsContact O-CE 3.31Å; L94-K99 WeakPolarHBondContact O-CE 3.46Å; L94-I102 HydrophobicContact CD1-CD1 4.09Å; L94-Y163 HydrophobicContact CD1-CD2 3.77Å; L94-Y163 HydrophobicContact CD1-CE2 3.66Å; L94-C168 HydrophobicContact CD1-CB 3.64Å; L94-C168 HydrophobicContact CD2-CB 4.42Å; L94-C168 HydrophobicContact CG-CB 3.94Å; L94-I173 HydrophobicContact CD1-CG2 4.49Å; L94-I173 HydrophobicContact CD2-CD1 3.52Å; L94-I173 HydrophobicContact CD2-CG1 3.77Å; L94-I173 HydrophobicContact CD2-CG2 4Å
95	S	90.9	Very high	92.3	Very high	66 Å²	66	68 Å²	68	46%	0.462	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-73.3	148.6	172.2	59.9	0	0	0	0	111.7	S93 R97 R98 K99	S93-S95 PolarHBondContact O-N 3.19Å; S95-R97 VanDerWaalsContact C-N 3.26Å; S95-R97 PolarHBondContact O-N 2.78Å; S95-R98 WeakPolarHBondContact O-CA 3.5Å; S95-R98 WeakPolarHBondContact O-CB 3.41Å; S95-R98 PolarHBondContact O-N 2.9Å; S95-K99 PolarHBondContact O-N 3.48Å
96	E	90.9	Very high	92.7	Very high	115 Å²	115	68.2 Å²	68.2	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-53.5	-41.3	-178.1	-60.8	-49.3	126.3	0	0	113.2	R98 K99 Q100	E96-R98 PolarHBondContact O-N 3.31Å; E96-K99 PolarHBondContact O-N 3.4Å; E96-K99 WeakPolarHBondContact OE1-CE 3.42Å; E96-K99 IonicContact OE1-NZ 3.67Å; E96-K99 PolarHBondContact OE1-NZ 2.85Å; E96-K99 IonicContact OE2-NZ 2.64Å; E96-Q100 WeakPolarHBondContact O-CG 3.41Å; E96-Q100 PolarHBondContact O-N 3.14Å
97	R	90.6	Very high	92.9	Very high	186 Å²	186	70.2 Å²	70.2	70%	0.702	34%	0.34	S	S	*	.	H	α-helix	trans	-59.3	-33.4	175	174.6	172.3	175.2	-159.3	-4	112.5	S95 Q101	S95-R97 VanDerWaalsContact C-N 3.26Å; S95-R97 PolarHBondContact O-N 2.78Å; R97-Q101 WeakPolarHBondContact O-CG 3.42Å; R97-Q101 PolarHBondContact O-NE2 2.96Å
98	R	90.1	Very high	93	Very high	42 Å²	42	66.1 Å²	66.1	16%	0.158	32%	0.324	C	S	.	.	H	α-helix	trans	-77.7	-39.6	177.2	-165.8	76.5	-88.5	163.5	-6.7	110.9	S95 E96 Q101 I102 I173 D242 S245	S95-R98 WeakPolarHBondContact O-CA 3.5Å; S95-R98 WeakPolarHBondContact O-CB 3.41Å; S95-R98 PolarHBondContact O-N 2.9Å; E96-R98 PolarHBondContact O-N 3.31Å; R98-Q101 PolarHBondContact O-N 3.02Å; R98-I102 HydrophobicContact CG-CD1 4.23Å; R98-I102 WeakPolarHBondContact O-CG1 3.47Å; R98-I102 PolarHBondContact O-N 2.85Å; R98-I173 HydrophobicContact CG-CD1 4.17Å; R98-D242 IonicContact CZ-OD1 2.78Å; R98-D242 VanDerWaalsContact CZ-OD1 3.29Å; R98-D242 IonicContact NH1-OD1 2.68Å; R98-D242 PolarHBondContact NH1-OD1 3.24Å; R98-D242 IonicContact NH2-OD1 2.53Å; R98-D242 PolarHBondContact NH2-OD1 3.42Å; R98-S245 PolarHBondContact NH1-OG 3.21Å; R98-S245 PolarHBondContact NH2-OG 2.76Å
99	K	92.4	Very high	93.1	Very high	69 Å²	69	65.6 Å²	65.6	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-55.8	-54.4	173	-62.7	178.7	-172.3	168.4	0	111.2	L94 S95 E96 Q101 I102 D103 Y163	L94-K99 HydrophobicContact CB-CG 4.08Å; L94-K99 VanDerWaalsContact O-CE 3.31Å; L94-K99 WeakPolarHBondContact O-CE 3.46Å; S95-K99 PolarHBondContact O-N 3.48Å; E96-K99 PolarHBondContact O-N 3.4Å; E96-K99 WeakPolarHBondContact OE1-CE 3.42Å; E96-K99 IonicContact OE1-NZ 3.67Å; E96-K99 PolarHBondContact OE1-NZ 2.85Å; E96-K99 IonicContact OE2-NZ 2.64Å; K99-Q101 PolarHBondContact O-N 2.63Å; K99-Q101 VanDerWaalsContact O-N 3.08Å; K99-I102 CarbonylContact O-C 3.57Å; K99-I102 WeakPolarHBondContact O-CA 3.23Å; K99-I102 WeakPolarHBondContact O-CB 3.31Å; K99-I102 PolarHBondContact O-N 2.85Å; K99-D103 VanDerWaalsContact C-OD2 3.32Å; K99-D103 PolarHBondContact O-N 3.07Å; K99-D103 VanDerWaalsContact O-OD2 3.09Å; K99-Y163 WeakPolarHBondContact CA-OH 2.93Å; K99-Y163 PolarHBondContact O-OH 3.16Å
100	Q	93.4	Very high	93.2	Very high	130 Å²	130	65.9 Å²	65.9	61%	0.607	32%	0.324	S	S	*	.	H	α-helix	trans	-53.4	-36.3	178.1	-70.8	171	-9.9	0	0	113.8	E96 S104	E96-Q100 WeakPolarHBondContact O-CG 3.41Å; E96-Q100 PolarHBondContact O-N 3.14Å; Q100-S104 WeakPolarHBondContact O-CB 3.3Å; Q100-S104 PolarHBondContact O-N 2.87Å
101	Q	92.1	Very high	93.3	Very high	50 Å²	50	63.7 Å²	63.7	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-76.7	-32.5	176.5	-73.6	170	83.3	0	0	112.8	R97 R98 K99 F105 D242	R97-Q101 WeakPolarHBondContact O-CG 3.42Å; R97-Q101 PolarHBondContact O-NE2 2.96Å; R98-Q101 PolarHBondContact O-N 3.02Å; K99-Q101 PolarHBondContact O-N 2.63Å; K99-Q101 VanDerWaalsContact O-N 3.08Å; Q101-F105 WeakPolarHBondContact O-CB 3.18Å; Q101-F105 PolarHBondContact O-N 2.92Å; Q101-D242 PolarHBondContact OE1-OD1 3.09Å
102	I	94.4	Very high	93.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-51.6	169.7	-68.4	161.3	0	0	0	109.6	L94 R98 K99 S104 F105 V106 Y163 I173 V175 F246	L94-I102 HydrophobicContact CD1-CD1 4.09Å; R98-I102 HydrophobicContact CG-CD1 4.23Å; R98-I102 WeakPolarHBondContact O-CG1 3.47Å; R98-I102 PolarHBondContact O-N 2.85Å; K99-I102 CarbonylContact O-C 3.57Å; K99-I102 WeakPolarHBondContact O-CA 3.23Å; K99-I102 WeakPolarHBondContact O-CB 3.31Å; K99-I102 PolarHBondContact O-N 2.85Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.4Å; I102-F105 PolarHBondContact O-N 3.44Å; I102-F105 VanDerWaalsContact O-N 3.14Å; I102-V106 HydrophobicContact CG2-CG2 4.04Å; I102-V106 WeakPolarHBondContact O-CB 3.33Å; I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.82Å; I102-Y163 HydrophobicContact CB-CE2 4.25Å; I102-Y163 HydrophobicContact CD1-CD2 4.41Å; I102-Y163 HydrophobicContact CD1-CE2 3.76Å; I102-Y163 HydrophobicContact CG2-CD1 4.41Å; I102-Y163 HydrophobicContact CG2-CD2 4.38Å; I102-Y163 HydrophobicContact CG2-CE1 3.83Å; I102-Y163 HydrophobicContact CG2-CE2 3.81Å; I102-Y163 VanDerWaalsContact CG2-CZ 3.5Å; I102-I173 HydrophobicContact CD1-CG2 4.05Å; I102-V175 HydrophobicContact CD1-CG2 4.29Å; I102-V175 HydrophobicContact CG2-CB 4.46Å; I102-V175 HydrophobicContact CG2-CG1 4.07Å; I102-V175 HydrophobicContact CG2-CG2 3.82Å; I102-F246 HydrophobicContact CB-CE2 4.22Å; I102-F246 HydrophobicContact CB-CZ 4.44Å; I102-F246 HydrophobicContact CD1-CG 4.49Å; I102-F246 HydrophobicContact CG1-CD1 4.01Å; I102-F246 HydrophobicContact CG1-CD2 3.69Å; I102-F246 HydrophobicContact CG1-CE1 4.12Å; I102-F246 HydrophobicContact CG1-CE2 3.75Å; I102-F246 HydrophobicContact CG1-CG 3.82Å; I102-F246 HydrophobicContact CG1-CZ 3.98Å; I102-F246 HydrophobicContact CG2-CE2 4.44Å
103	D	95.4	Very high	93.6	Very high	74 Å²	74	58.2 Å²	58.2	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-42.5	-177.9	-56.6	-35.6	0	0	0	111.4	K99 K107 Y163	K99-D103 VanDerWaalsContact C-OD2 3.32Å; K99-D103 PolarHBondContact O-N 3.07Å; K99-D103 VanDerWaalsContact O-OD2 3.09Å; D103-K107 WeakPolarHBondContact O-CB 3.44Å; D103-K107 PolarHBondContact O-N 2.8Å; D103-Y163 WeakPolarHBondContact OD1-CE1 3.4Å; D103-Y163 PolarHBondContact OD1-OH 3.11Å
104	S	94.8	Very high	93.8	Very high	75 Å²	75	61.4 Å²	61.4	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175	-171	0	0	0	0	112.4	Q100 I102 K107 T108	Q100-S104 WeakPolarHBondContact O-CB 3.3Å; Q100-S104 PolarHBondContact O-N 2.87Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.4Å; S104-K107 PolarHBondContact O-N 3.22Å; S104-T108 PolarHBondContact O-N 3.36Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.12Å; S104-T108 VanDerWaalsContact O-OG1 3.12Å
105	F	95.3	Very high	93.9	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-73.3	-39	-179.1	-177.7	-114	0	0	0	112.2	Q101 I102 K107 T108 V109 D216 L236 S237 P238 F246 V248	Q101-F105 WeakPolarHBondContact O-CB 3.18Å; Q101-F105 PolarHBondContact O-N 2.92Å; I102-F105 PolarHBondContact O-N 3.44Å; I102-F105 VanDerWaalsContact O-N 3.14Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 3.39Å; F105-T108 PolarHBondContact O-N 2.79Å; F105-V109 HydrophobicContact CD1-CG2 4.24Å; F105-V109 HydrophobicContact CD2-CG2 4.39Å; F105-V109 HydrophobicContact CE1-CG2 3.87Å; F105-V109 HydrophobicContact CE2-CG2 4.01Å; F105-V109 HydrophobicContact CZ-CG2 3.74Å; F105-V109 WeakPolarHBondContact O-CB 3Å; F105-V109 WeakPolarHBondContact O-CG2 3.22Å; F105-V109 PolarHBondContact O-N 2.76Å; F105-D216 WeakPolarHBondContact CE2-O 3.17Å; F105-L236 HydrophobicContact CE1-CB 4.27Å; F105-L236 HydrophobicContact CZ-CB 4.33Å; F105-S237 WeakPolarHBondContact CZ-O 3.39Å; F105-P238 HydrophobicContact CD1-CB 4.39Å; F105-P238 HydrophobicContact CD2-CB 4.07Å; F105-P238 HydrophobicContact CE1-CB 4.41Å; F105-P238 HydrophobicContact CE2-CB 4.12Å; F105-P238 HydrophobicContact CG-CB 4.21Å; F105-P238 HydrophobicContact CZ-CB 4.29Å; F105-F246 HydrophobicContact CB-CE2 4.3Å; F105-F246 HydrophobicContact CB-CZ 3.85Å; F105-F246 AromaticContact CD1-CE2 3.72Å; F105-F246 HydrophobicContact CD1-CE2 3.72Å; F105-F246 AromaticContact CD1-CZ 3.91Å; F105-F246 HydrophobicContact CD1-CZ 3.91Å; F105-F246 HydrophobicContact CG-CE2 4.39Å; F105-F246 HydrophobicContact CG-CZ 4.15Å; F105-V248 HydrophobicContact CD1-CG2 3.69Å; F105-V248 HydrophobicContact CE1-CB 4.26Å; F105-V248 HydrophobicContact CE1-CG2 3.83Å
106	V	95.6	Very high	94.1	Very high	11 Å²	11	62 Å²	62	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-44.7	172.1	163.7	0	0	0	0	110.2	I102 V109 T110 L159 V175 L177 V248	I102-V106 HydrophobicContact CG2-CG2 4.04Å; I102-V106 WeakPolarHBondContact O-CB 3.33Å; I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.82Å; V106-V109 PolarHBondContact O-N 2.95Å; V106-T110 PolarHBondContact O-N 2.73Å; V106-T110 PolarHBondContact O-OG1 3.26Å; V106-T110 VanDerWaalsContact O-OG1 3.12Å; V106-L159 HydrophobicContact CG1-CD1 4.26Å; V106-L159 HydrophobicContact CG1-CD2 4.24Å; V106-L159 HydrophobicContact CG1-CG 4.26Å; V106-L159 HydrophobicContact CG2-CD2 4.44Å; V106-V175 HydrophobicContact CG2-CG1 4.16Å; V106-L177 HydrophobicContact CG1-CD1 4.47Å; V106-L177 HydrophobicContact CG1-CD2 3.93Å; V106-V248 HydrophobicContact CG2-CG2 4.12Å
107	K	95.8	Very high	94.1	Very high	125 Å²	125	60.5 Å²	60.5	54%	0.543	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-51.1	174.6	179.9	179.8	168.8	-178.2	0	111.7	D103 S104 F105 V109 T110 E111	D103-K107 WeakPolarHBondContact O-CB 3.44Å; D103-K107 PolarHBondContact O-N 2.8Å; S104-K107 PolarHBondContact O-N 3.22Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 3.39Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.96Å; K107-T110 PolarHBondContact O-N 2.78Å; K107-T110 VanDerWaalsContact O-N 3.16Å; K107-E111 VanDerWaalsContact CE-CD 3.41Å; K107-E111 WeakPolarHBondContact CE-OE1 3.25Å; K107-E111 HydrophobicContact CG-CG 4.48Å; K107-E111 IonicContact NZ-OE1 3.67Å; K107-E111 PolarHBondContact NZ-OE1 3Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 2.83Å
108	T	95.1	Very high	94.2	Very high	42 Å²	42	56.6 Å²	56.6	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-42.7	178.3	-57.1	0	0	0	0	112.1	S104 F105 E111 L112 D216	S104-T108 PolarHBondContact O-N 3.36Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.12Å; S104-T108 VanDerWaalsContact O-OG1 3.12Å; F105-T108 PolarHBondContact O-N 2.79Å; T108-E111 PolarHBondContact O-N 2.88Å; T108-L112 HydrophobicContact CG2-CD1 4.25Å; T108-L112 VanDerWaalsContact O-CG 3.32Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 2.95Å; T108-D216 HydrophobicContact CG2-CB 3.93Å
109	V	95.4	Very high	94.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-41.9	175.8	167.9	0	0	0	0	111.4	F105 V106 K107 L112 L113 L177 L236	F105-V109 HydrophobicContact CD1-CG2 4.24Å; F105-V109 HydrophobicContact CD2-CG2 4.39Å; F105-V109 HydrophobicContact CE1-CG2 3.87Å; F105-V109 HydrophobicContact CE2-CG2 4.01Å; F105-V109 HydrophobicContact CZ-CG2 3.74Å; F105-V109 WeakPolarHBondContact O-CB 3Å; F105-V109 WeakPolarHBondContact O-CG2 3.22Å; F105-V109 PolarHBondContact O-N 2.76Å; V106-V109 PolarHBondContact O-N 2.95Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.96Å; V109-L112 PolarHBondContact O-N 3.35Å; V109-L113 HydrophobicContact CG1-CD1 3.83Å; V109-L113 HydrophobicContact CG1-CG 4.32Å; V109-L113 WeakPolarHBondContact O-CB 3.48Å; V109-L113 VanDerWaalsContact O-CG 3.23Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.44Å; V109-L177 HydrophobicContact CG1-CD1 3.96Å; V109-L236 HydrophobicContact CB-CD1 4.39Å; V109-L236 HydrophobicContact CG1-CD1 3.56Å; V109-L236 HydrophobicContact CG2-CD1 3.83Å
110	T	95.8	Very high	94.2	Very high	28 Å²	28	56.8 Å²	56.8	17%	0.172	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-47.3	176.5	-64.9	0	0	0	0	112	V106 K107 L112 L113 E114 V157	V106-T110 PolarHBondContact O-N 2.73Å; V106-T110 PolarHBondContact O-OG1 3.26Å; V106-T110 VanDerWaalsContact O-OG1 3.12Å; K107-T110 PolarHBondContact O-N 2.78Å; K107-T110 VanDerWaalsContact O-N 3.16Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 2.8Å; T110-L113 PolarHBondContact O-N 3.06Å; T110-E114 WeakPolarHBondContact O-CG 3.24Å; T110-E114 PolarHBondContact O-N 2.6Å; T110-V157 HydrophobicContact CG2-CB 4.15Å; T110-V157 HydrophobicContact CG2-CG1 4.42Å
111	E	95.4	Very high	94.2	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-35.4	177.1	-69.5	173.7	154.4	0	0	111.9	K107 T108 T115	K107-E111 VanDerWaalsContact CE-CD 3.41Å; K107-E111 WeakPolarHBondContact CE-OE1 3.25Å; K107-E111 HydrophobicContact CG-CG 4.48Å; K107-E111 IonicContact NZ-OE1 3.67Å; K107-E111 PolarHBondContact NZ-OE1 3Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 2.83Å; T108-E111 PolarHBondContact O-N 2.88Å; E111-T115 WeakPolarHBondContact O-CG2 3.19Å; E111-T115 PolarHBondContact O-OG1 3.2Å
112	L	95.4	Very high	94.2	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-71.1	-37.2	172.1	-70.3	171.8	0	0	0	113	T108 V109 T110 T115 H210 L211 V217	T108-L112 HydrophobicContact CG2-CD1 4.25Å; T108-L112 VanDerWaalsContact O-CG 3.32Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 2.95Å; V109-L112 PolarHBondContact O-N 3.35Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 2.8Å; L112-T115 PolarHBondContact O-N 3.2Å; L112-T115 PolarHBondContact O-OG1 2.67Å; L112-H210 PolarHBondContact O-CD2 3.11Å; L112-H210 PolarHBondContact O-NE2 3.11Å; L112-L211 HydrophobicContact CB-CD2 3.71Å; L112-L211 HydrophobicContact CD1-CD2 4.19Å; L112-V217 HydrophobicContact CD1-CG2 3.84Å
113	L	95.3	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-35.7	177.7	-74.8	169.3	0	0	0	112.4	V109 T110 T115 V116 P154 V157 L207 L211	V109-L113 HydrophobicContact CG1-CD1 3.83Å; V109-L113 HydrophobicContact CG1-CG 4.32Å; V109-L113 WeakPolarHBondContact O-CB 3.48Å; V109-L113 VanDerWaalsContact O-CG 3.23Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.44Å; T110-L113 PolarHBondContact O-N 3.06Å; L113-T115 PolarHBondContact O-N 2.79Å; L113-V116 WeakPolarHBondContact O-CG2 3.27Å; L113-P154 HydrophobicContact CB-CG 4.36Å; L113-P154 WeakPolarHBondContact O-CD 3.49Å; L113-V157 HydrophobicContact CB-CG2 4.11Å; L113-V157 HydrophobicContact CD1-CG1 4.01Å; L113-V157 HydrophobicContact CD1-CG2 4.08Å; L113-L207 HydrophobicContact CD2-CB 4.21Å; L113-L207 HydrophobicContact CD2-CD1 4Å; L113-L207 HydrophobicContact CD2-CD2 3.77Å; L113-L207 HydrophobicContact CD2-CG 4.2Å; L113-L211 HydrophobicContact CD2-CD1 4.14Å
114	E	94.1	Very high	93.6	Very high	120 Å²	120	56 Å²	56	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-68.1	-21.5	177.5	-71.7	177.3	176.7	0	0	113.4	T110	T110-E114 WeakPolarHBondContact O-CG 3.24Å; T110-E114 PolarHBondContact O-N 2.6Å
115	T	94.4	Very high	93.1	Very high	90 Å²	90	56.7 Å²	56.7	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8	-177.7	53.7	0	0	0	0	114.7	E111 L112 L113 H210	E111-T115 WeakPolarHBondContact O-CG2 3.19Å; E111-T115 PolarHBondContact O-OG1 3.2Å; L112-T115 PolarHBondContact O-N 3.2Å; L112-T115 PolarHBondContact O-OG1 2.67Å; L113-T115 PolarHBondContact O-N 2.79Å; T115-H210 PolarHBondContact O-CE1 3.01Å; T115-H210 VanDerWaalsContact O-CE1 3.31Å; T115-H210 PolarHBondContact OG1-NE2 3.35Å
116	V	93.5	Very high	92.8	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-60.7	126.3	-178.2	170	0	0	0	0	111.9	L113 M151 P153 L207 H210	L113-V116 WeakPolarHBondContact O-CG2 3.27Å; V116-M151 HydrophobicContact CG1-CE 3.83Å; V116-M151 HydrophobicContact CG1-CG 3.94Å; V116-P153 VanDerWaalsContact O-CD 3.27Å; V116-P153 WeakPolarHBondContact O-CD 3.48Å; V116-P153 VanDerWaalsContact O-CG 3.27Å; V116-P153 WeakPolarHBondContact O-CG 3.46Å; V116-L207 HydrophobicContact CG1-CD2 4.48Å; V116-L207 HydrophobicContact CG2-CD2 3.84Å; V116-H210 HydrophobicContact CG2-CB 3.95Å; V116-H210 VanDerWaalsContact CG2-CD2 3.42Å; V116-H210 WeakPolarHBondContact CG2-CD2 3.45Å
117	P	91.8	Very high	92.3	Very high	85 Å²	85	61.8 Å²	61.8	55%	0.552	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-69.5	146.1	-177.1	27.7	-35.3	0	0	0	113.1	H210	P117-H210 VanDerWaalsContact CD-ND1 3.28Å; P117-H210 WeakPolarHBondContact CD-ND1 3.32Å
118	V	92.9	Very high	91.9	Very high	104 Å²	104	60.3 Å²	60.3	63%	0.63	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-76.2	131.8	174.4	-178.6	0	0	0	0	110.3	M151 A152	V118-M151 CarbonylContact C-O 3.5Å; V118-M151 VanDerWaalsContact CA-O 3.29Å; V118-M151 WeakPolarHBondContact CA-O 3.5Å; V118-A152 HydrophobicContact CG2-CB 4.25Å
119	S	91.9	Very high	91.5	Very high	21 Å²	21	60 Å²	60	15%	0.147	34%	0.337	C	S	.	.			trans	-104.4	162.5	179.1	88.9	0	0	0	0	112.5	H150 M151	S119-H150 WeakPolarHBondContact O-CB 3.38Å; S119-M151 PolarHBondContact N-O 2.71Å; S119-M151 PolarHBondContact OG-N 3.15Å
120	P	90.7	Very high	91.1	Very high	93 Å²	93	61 Å²	61	60%	0.604	34%	0.343	S	S	*	.			trans	-66.9	153.8	176.7	27.8	-35.2	0	0	0	112.5	V122	P120-V122 PolarHBondContact O-N 3.06Å
121	K	92.4	Very high	90.3	Very high	126 Å²	126	62.3 Å²	62.3	55%	0.548	35%	0.352	S	S	.	.			trans	-78	104.7	179.2	-71.1	-177.2	-176.4	-158.4	0	111.3	F149 H150 D184	K121-F149 WeakPolarHBondContact CA-O 3.43Å; K121-H150 VanDerWaalsContact CE-CD2 3.49Å; K121-H150 WeakPolarHBondContact CE-CD2 3.22Å; K121-H150 HydrophobicContact CG-CB 3.75Å; K121-H150 PolarHBondContact NZ-NE2 2.78Å; K121-D184 IonicContact NZ-OD2 2.96Å; K121-D184 PolarHBondContact NZ-OD2 2.99Å
122	V	92.4	Very high	89.2	Confident	19 Å²	19	61.3 Å²	61.3	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	174.3	180	-62.4	0	0	0	0	111.7	P120 D126 K148 F149	P120-V122 PolarHBondContact O-N 3.06Å; V122-D126 HydrophobicContact CB-CB 4.12Å; V122-K148 CarbonylContact O-C 3.38Å; V122-K148 WeakPolarHBondContact O-CA 3.22Å; V122-K148 WeakPolarHBondContact O-CB 3.36Å; V122-F149 PolarHBondContact N-O 2.83Å; V122-F149 PolarHBondContact O-N 2.83Å
123	E	90.3	Very high	88.7	Confident	81 Å²	81	62.3 Å²	62.3	38%	0.379	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	152	165.5	-68.7	-64.8	139	0	0	110.8	S125 D126 G147 K148	E123-S125 PolarHBondContact O-N 2.78Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 2.79Å; E123-G147 CarbonylContact C-O 3.47Å; E123-G147 VanDerWaalsContact OE2-O 3.14Å; E123-K148 WeakPolarHBondContact OE1-CE 3.33Å; E123-K148 VanDerWaalsContact OE1-CG 3.23Å; E123-K148 WeakPolarHBondContact OE1-CG 3.37Å
124	V	87.2	Confident	88.5	Confident	13 Å²	13	62.5 Å²	62.5	8%	0.079	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	-177.7	161	0	0	0	0	113.7	T145 G147 F149 R198 K199 L202	V124-T145 HydrophobicContact CG1-CG2 3.96Å; V124-G147 WeakPolarHBondContact CB-O 3.33Å; V124-G147 VanDerWaalsContact CG2-O 3.22Å; V124-G147 WeakPolarHBondContact CG2-O 3.45Å; V124-G147 PolarHBondContact N-O 3.34Å; V124-F149 HydrophobicContact CG2-CB 3.91Å; V124-R198 HydrophobicContact CG1-CB 4.34Å; V124-K199 HydrophobicContact CG2-CG 3.99Å; V124-L202 HydrophobicContact CG1-CD1 4.12Å; V124-L202 HydrophobicContact CG2-CD1 4.49Å
125	S	85.3	Confident	88.5	Confident	88 Å²	88	59.9 Å²	59.9	62%	0.615	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.7	173.8	55.5	0	0	0	0	114.5	E123	E123-S125 PolarHBondContact O-N 2.78Å
126	D	87.3	Confident	88.3	Confident	61 Å²	61	56.3 Å²	56.3	33%	0.326	35%	0.346	S	S	.	.			trans	-95.3	121.4	-179.8	-179	7.9	0	0	0	110.5	V122 E123 S128 W129	V122-D126 HydrophobicContact CB-CB 4.12Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 2.79Å; D126-S128 VanDerWaalsContact CG-OG 3.26Å; D126-S128 WeakPolarHBondContact OD1-CB 3.35Å; D126-S128 PolarHBondContact OD1-N 2.74Å; D126-S128 PolarHBondContact OD1-OG 3.25Å; D126-S128 PolarHBondContact OD2-OG 3.07Å; D126-W129 PolarHBondContact O-NE1 2.74Å
127	L	86.5	Confident	88.3	Confident	72 Å²	72	56.2 Å²	56.2	38%	0.377	35%	0.346	S	S	.	.			trans	-108.5	8.1	-178.9	-56.4	-178.1	0	0	0	112.5	W129 L130 V136 L202	L127-W129 PolarHBondContact O-N 2.81Å; L127-W129 VanDerWaalsContact O-N 3.12Å; L127-L130 WeakPolarHBondContact O-CB 3.48Å; L127-L130 PolarHBondContact O-N 3.46Å; L127-V136 HydrophobicContact CD1-CG2 4.27Å; L127-V136 HydrophobicContact CD2-CG2 3.91Å; L127-L202 HydrophobicContact CD2-CD2 3.46Å; L127-L202 VanDerWaalsContact CD2-CD2 3.46Å
128	S	86.1	Confident	88.1	Confident	94 Å²	94	53 Å²	53	66%	0.657	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.9	-176.4	59	0	0	0	0	114.8	D126	D126-S128 VanDerWaalsContact CG-OG 3.26Å; D126-S128 WeakPolarHBondContact OD1-CB 3.35Å; D126-S128 PolarHBondContact OD1-N 2.74Å; D126-S128 PolarHBondContact OD1-OG 3.25Å; D126-S128 PolarHBondContact OD2-OG 3.07Å
129	W	87.4	Confident	87.5	Confident	35 Å²	35	50.2 Å²	50.2	13%	0.133	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.9	174.9	68.8	-85.1	0	0	0	113.6	D126 L127 F149 M151 L202	D126-W129 PolarHBondContact O-NE1 2.74Å; L127-W129 PolarHBondContact O-N 2.81Å; L127-W129 VanDerWaalsContact O-N 3.12Å; W129-F149 HydrophobicContact CD2-CE1 4.48Å; W129-F149 AromaticContact CE2-CE1 3.77Å; W129-F149 AromaticContact CH2-CE1 3.73Å; W129-F149 HydrophobicContact CH2-CE1 3.73Å; W129-F149 HydrophobicContact CH2-CZ 4.26Å; W129-F149 HydrophobicContact CZ2-CD1 4.02Å; W129-F149 AromaticContact CZ2-CE1 3.37Å; W129-F149 HydrophobicContact CZ2-CE1 3.37Å; W129-F149 HydrophobicContact CZ2-CZ 4.18Å; W129-F149 HydrophobicContact CZ3-CE1 4.41Å; W129-M151 HydrophobicContact CE3-CB 4.47Å; W129-M151 HydrophobicContact CZ3-CB 4.16Å; W129-M151 HydrophobicContact CZ3-CG 4.44Å; W129-L202 WeakPolarHBondContact CH2-O 3.34Å; W129-L202 HydrophobicContact CZ2-CB 4.26Å; W129-L202 HydrophobicContact CZ2-CD2 4.19Å
130	L	87.8	Confident	86.5	Confident	22 Å²	22	53 Å²	53	12%	0.115	32%	0.317	C	S	.	.	S	Bend	trans	-96.7	126.2	178.7	-169.1	74.8	0	0	0	109.2	L127 V136 A205 Q209	L127-L130 WeakPolarHBondContact O-CB 3.48Å; L127-L130 PolarHBondContact O-N 3.46Å; L130-V136 HydrophobicContact CD2-CG2 3.83Å; L130-A205 HydrophobicContact CD1-CB 4.11Å; L130-A205 HydrophobicContact CD2-CB 4.16Å; L130-Q209 HydrophobicContact CD1-CB 4.36Å
131	S	77.3	Confident	85.7	Confident	54 Å²	54	53.1 Å²	53.1	38%	0.378	32%	0.316	S	S	.	.			trans	-65	144.8	175.2	70.5	0	0	0	0	111	A133 V134 Q209	S131-A133 PolarHBondContact O-N 3.34Å; S131-V134 PolarHBondContact O-N 2.98Å; S131-Q209 VanDerWaalsContact CB-OE1 3.26Å; S131-Q209 PolarHBondContact OG-OE1 2.93Å
132	G	74.2	Confident	84.8	Confident	74 Å²	74	48.4 Å²	48.4	76%	0.763	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.7	179.9	0	0	0	0	0	115.4
133	A	83.1	Confident	83.8	Confident	51 Å²	51	56 Å²	56	42%	0.421	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.5	178.1	0	0	0	0	0	114.1	S131 K212	S131-A133 PolarHBondContact O-N 3.34Å; A133-K212 PolarHBondContact O-NZ 2.93Å
134	V	92	Very high	82.9	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.024	34%	0.341	C	S	.	.	S	Bend	trans	-136.5	144.6	172.5	173.9	0	0	0	0	109.7	S131 A205 A208 Q209 K212 Y222 V534	S131-V134 PolarHBondContact O-N 2.98Å; V134-A205 HydrophobicContact CG1-CB 4.32Å; V134-A208 HydrophobicContact CG1-CB 4.15Å; V134-Q209 HydrophobicContact CB-CB 4.49Å; V134-Q209 HydrophobicContact CG2-CB 4.2Å; V134-K212 HydrophobicContact CG2-CD 3.94Å; V134-Y222 VanDerWaalsContact CG1-OH 3.31Å; V134-Y222 WeakPolarHBondContact CG1-OH 3.46Å; V134-V534 CarbonylContact C-O 3.55Å; V134-V534 WeakPolarHBondContact CA-O 3.37Å
135	K	93.3	Very high	82.4	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	34%	0.342	S	S	.	.			trans	-109.7	157.1	178.9	-61.3	-59.7	-170.4	151.8	0	111.8	Y222 V534 E535 S536 E537	K135-Y222 WeakPolarHBondContact O-CE2 3.36Å; K135-Y222 PolarHBondContact O-OH 3.28Å; K135-V534 PolarHBondContact N-O 3.05Å; K135-E535 WeakPolarHBondContact CG-O 3.2Å; K135-S536 WeakPolarHBondContact CB-O 3.44Å; K135-E537 WeakPolarHBondContact CD-OE1 3.12Å; K135-E537 VanDerWaalsContact CE-OE1 3.31Å; K135-E537 WeakPolarHBondContact CE-OE1 3.31Å; K135-E537 IonicContact NZ-OE1 2.8Å; K135-E537 PolarHBondContact NZ-OE1 2.99Å
136	V	91.9	Very high	82.2	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.097	35%	0.349	C	S	.	.			trans	-81.8	124.5	175.2	-175.2	0	0	0	0	108.9	L127 L130 F138 A201 L202 A205	L127-V136 HydrophobicContact CD1-CG2 4.27Å; L127-V136 HydrophobicContact CD2-CG2 3.91Å; L130-V136 HydrophobicContact CD2-CG2 3.83Å; V136-F138 HydrophobicContact CG1-CB 4.08Å; V136-F138 PolarHBondContact O-N 3.46Å; V136-A201 HydrophobicContact CG1-CB 4.16Å; V136-L202 HydrophobicContact CG1-CD2 4.16Å; V136-L202 HydrophobicContact CG2-CD2 3.89Å; V136-A205 HydrophobicContact CG2-CB 4.47Å
137	P	92.4	Very high	82.2	Confident	3 Å²	3	58 Å²	58	2%	0.019	34%	0.343	C	S	.	.	S	Bend	trans	-80.1	52.3	-177	32.7	-35.3	0	0	0	112.4	A201 L204 Y222 P232 W532	P137-A201 HydrophobicContact CG-CB 4.28Å; P137-L204 HydrophobicContact CG-CD2 3.95Å; P137-Y222 HydrophobicContact CB-CD1 3.82Å; P137-Y222 HydrophobicContact CB-CD2 3.71Å; P137-Y222 HydrophobicContact CB-CE1 4.07Å; P137-Y222 HydrophobicContact CB-CE2 3.92Å; P137-Y222 HydrophobicContact CB-CG 3.62Å; P137-Y222 HydrophobicContact CG-CD1 3.85Å; P137-Y222 HydrophobicContact CG-CD2 4.33Å; P137-Y222 HydrophobicContact CG-CE1 3.68Å; P137-Y222 HydrophobicContact CG-CE2 4.14Å; P137-Y222 HydrophobicContact CG-CG 4.17Å; P137-P232 HydrophobicContact CB-CB 3.82Å; P137-P232 HydrophobicContact CB-CG 4.43Å; P137-P232 HydrophobicContact CG-CB 3.92Å; P137-P232 HydrophobicContact CG-CG 4.14Å; P137-W532 HydrophobicContact CB-CZ2 3.76Å
138	F	87.2	Confident	82.5	Confident	18 Å²	18	60.8 Å²	60.8	8%	0.079	35%	0.352	C	S	.	.	S	Bend	trans	-147.6	137.4	-174.8	-157	-88.5	0	0	0	112.6	V136 L140 P197 R198 A201 L230	V136-F138 HydrophobicContact CG1-CB 4.08Å; V136-F138 PolarHBondContact O-N 3.46Å; F138-L140 HydrophobicContact CD1-CD2 4.17Å; F138-L140 PolarHBondContact O-N 2.81Å; F138-P197 HydrophobicContact CE2-CB 3.62Å; F138-P197 HydrophobicContact CZ-CB 3.96Å; F138-R198 HydrophobicContact CD1-CG 3.92Å; F138-R198 HydrophobicContact CE1-CG 3.54Å; F138-R198 HydrophobicContact CZ-CG 3.87Å; F138-A201 HydrophobicContact CB-CB 3.74Å; F138-A201 HydrophobicContact CD2-CB 3.84Å; F138-A201 HydrophobicContact CG-CB 4.14Å; F138-L230 HydrophobicContact CE2-CD2 4.05Å; F138-L230 HydrophobicContact CZ-CD2 3.81Å
139	L	81.1	Confident	82.9	Confident	44 Å²	44	56.3 Å²	56.3	23%	0.23	32%	0.321	C	S	.	.			trans	-86.2	105	174.7	-66.8	177.1	0	0	0	110.3	V141 A538 Y541	L139-V141 VanDerWaalsContact C-N 3.31Å; L139-V141 PolarHBondContact O-N 3.15Å; L139-A538 HydrophobicContact CD2-CB 4.14Å; L139-A538 HydrophobicContact CG-CB 4.41Å; L139-Y541 HydrophobicContact CD1-CD2 4.19Å; L139-Y541 HydrophobicContact CD1-CE2 3.7Å
140	L	71	Confident	83.2	Confident	80 Å²	80	55.1 Å²	55.1	42%	0.419	32%	0.317	S	S	.	.			trans	-74.8	74.3	-177.2	-65.9	173.3	0	0	0	113	F138 P142 K143	F138-L140 HydrophobicContact CD1-CD2 4.17Å; F138-L140 PolarHBondContact O-N 2.81Å; L140-P142 CarbonylContact C-O 3.39Å; L140-P142 CarbonylContact O-C 3.5Å; L140-K143 WeakPolarHBondContact O-CG 3.46Å
141	V	73.1	Confident	83.5	Confident	95 Å²	95	54.3 Å²	54.3	58%	0.576	31%	0.313	S	S	*	.	S	Bend	trans	-129.2	120.6	174.3	-174.7	0	0	0	0	109.6	L139 Q194 R198	L139-V141 VanDerWaalsContact C-N 3.31Å; L139-V141 PolarHBondContact O-N 3.15Å; V141-Q194 PolarHBondContact O-OE1 2.79Å; V141-R198 VanDerWaalsContact C-NH2 3.33Å; V141-R198 PolarHBondContact O-NH2 3.46Å
142	P	74.4	Confident	84.4	Confident	28 Å²	28	52.3 Å²	52.3	18%	0.182	30%	0.299	C	S	.	.	S	Bend	cis	-59.4	160.8	-15.8	-18.7	31.3	0	0	0	112.3	L140 R198 W275	L140-P142 CarbonylContact C-O 3.39Å; L140-P142 CarbonylContact O-C 3.5Å; P142-R198 VanDerWaalsContact O-CZ 3.3Å; P142-R198 PolarHBondContact O-NH1 2.94Å; P142-R198 PolarHBondContact O-NH2 2.72Å; P142-W275 HydrophobicContact CG-CD2 4.49Å; P142-W275 HydrophobicContact CG-CH2 4.4Å; P142-W275 HydrophobicContact CG-CZ2 4.26Å; P142-W275 WeakPolarHBondContact CG-O 3.37Å
143	K	72.1	Confident	85.4	Confident	179 Å²	179	50.8 Å²	50.8	78%	0.778	28%	0.276	S	S	*	.			trans	-71.6	-33.7	177.9	-73.8	-174.1	174.9	-175.4	0	113.7	L140	L140-K143 WeakPolarHBondContact O-CG 3.46Å
144	A	70.1	Confident	86.1	Confident	73 Å²	73	49 Å²	49	60%	0.603	26%	0.26	S	S	*	.			trans	-77.1	127.4	-173.9	0	0	0	0	0	112.3	W275	A144-W275 PolarHBondContact O-NE1 2.86Å
145	T	76.8	Confident	86.3	Confident	18 Å²	18	52.2 Å²	52.2	11%	0.11	29%	0.287	C	S	.	.			trans	-146.9	129.8	174.4	-60.9	0	0	0	0	109.4	V124 R195 R198	V124-T145 HydrophobicContact CG1-CG2 3.96Å; T145-R195 HydrophobicContact CG2-CG 3.82Å; T145-R198 PolarHBondContact OG1-NH1 3.39Å
146	K	82.4	Confident	86.4	Confident	172 Å²	172	51.1 Å²	51.1	75%	0.748	29%	0.287	S	S	*	.			trans	-91	127.3	177.1	-62.2	179.2	-179.3	177	0	109.7
147	G	87	Confident	86.6	Confident	21 Å²	21	51.5 Å²	51.5	22%	0.216	29%	0.29	C	S	.	.			trans	149.6	155.3	172.4	0	0	0	0	0	112.8	E123 V124	E123-G147 CarbonylContact C-O 3.47Å; E123-G147 VanDerWaalsContact OE2-O 3.14Å; V124-G147 WeakPolarHBondContact CB-O 3.33Å; V124-G147 VanDerWaalsContact CG2-O 3.22Å; V124-G147 WeakPolarHBondContact CG2-O 3.45Å; V124-G147 PolarHBondContact N-O 3.34Å
148	K	91.4	Very high	86.7	Confident	131 Å²	131	54.1 Å²	54.1	57%	0.57	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	150.8	179.8	-66.4	-175	175.8	-171.4	0	112.8	V122 E123 K199	V122-K148 CarbonylContact O-C 3.38Å; V122-K148 WeakPolarHBondContact O-CA 3.22Å; V122-K148 WeakPolarHBondContact O-CB 3.36Å; E123-K148 WeakPolarHBondContact OE1-CE 3.33Å; E123-K148 VanDerWaalsContact OE1-CG 3.23Å; E123-K148 WeakPolarHBondContact OE1-CG 3.37Å; K148-K199 WeakPolarHBondContact O-CE 3.38Å; K148-K199 PolarHBondContact O-NZ 2.73Å
149	F	94.3	Very high	87.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.6	178.8	177.6	-94.2	0	0	0	110.6	K121 V122 V124 W129 M151 V185 K199 L202 Y203	K121-F149 WeakPolarHBondContact CA-O 3.43Å; V122-F149 PolarHBondContact N-O 2.83Å; V122-F149 PolarHBondContact O-N 2.83Å; V124-F149 HydrophobicContact CG2-CB 3.91Å; W129-F149 HydrophobicContact CD2-CE1 4.48Å; W129-F149 AromaticContact CE2-CE1 3.77Å; W129-F149 AromaticContact CH2-CE1 3.73Å; W129-F149 HydrophobicContact CH2-CE1 3.73Å; W129-F149 HydrophobicContact CH2-CZ 4.26Å; W129-F149 HydrophobicContact CZ2-CD1 4.02Å; W129-F149 AromaticContact CZ2-CE1 3.37Å; W129-F149 HydrophobicContact CZ2-CE1 3.37Å; W129-F149 HydrophobicContact CZ2-CZ 4.18Å; W129-F149 HydrophobicContact CZ3-CE1 4.41Å; F149-M151 HydrophobicContact CZ-SD 4.2Å; F149-V185 HydrophobicContact CD2-CG1 3.86Å; F149-V185 HydrophobicContact CE2-CG1 3.76Å; F149-K199 HydrophobicContact CD2-CB 4.31Å; F149-K199 HydrophobicContact CD2-CG 4.15Å; F149-L202 HydrophobicContact CB-CD1 4.37Å; F149-L202 HydrophobicContact CD1-CB 4.36Å; F149-L202 HydrophobicContact CD1-CD1 4.32Å; F149-L202 HydrophobicContact CD2-CB 4.16Å; F149-L202 HydrophobicContact CD2-CD1 4.2Å; F149-L202 HydrophobicContact CE1-CB 4.04Å; F149-L202 HydrophobicContact CE2-CB 3.79Å; F149-L202 HydrophobicContact CG-CB 4.43Å; F149-L202 HydrophobicContact CG-CD1 4.02Å; F149-L202 HydrophobicContact CZ-CB 3.74Å; F149-Y203 HydrophobicContact CE2-CD2 4.42Å; F149-Y203 HydrophobicContact CZ-CD2 4.38Å
150	H	94.5	Very high	87.7	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.046	31%	0.306	C	S	.	.			trans	-154.3	161	161	65.8	-50.5	0	0	0	109.3	S119 K121 D184 V185	S119-H150 WeakPolarHBondContact O-CB 3.38Å; K121-H150 VanDerWaalsContact CE-CD2 3.49Å; K121-H150 WeakPolarHBondContact CE-CD2 3.22Å; K121-H150 HydrophobicContact CG-CB 3.75Å; K121-H150 PolarHBondContact NZ-NE2 2.78Å; H150-D184 PolarHBondContact NE2-O 2.82Å; H150-D184 IonicContact NE2-OD1 2.59Å; H150-D184 PolarHBondContact NE2-OD1 3.18Å; H150-D184 IonicContact NE2-OD2 3.39Å; H150-D184 PolarHBondContact NE2-OD2 2.87Å; H150-V185 VanDerWaalsContact CE1-CA 3.45Å; H150-V185 WeakPolarHBondContact CE1-CA 3.48Å; H150-V185 WeakPolarHBondContact NE2-CA 3.32Å; H150-V185 WeakPolarHBondContact NE2-CG2 3.39Å; H150-V185 PolarHBondContact NE2-N 2.87Å; H150-V185 WeakPolarHBondContact O-CG1 3.34Å
151	M	95	Very high	88.8	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.025	30%	0.299	C	S	.	.			trans	-90.5	147.9	171.9	-159.2	62	-161.4	0	0	110.4	V116 V118 S119 W129 F149 Y203 L207	V116-M151 HydrophobicContact CG1-CE 3.83Å; V116-M151 HydrophobicContact CG1-CG 3.94Å; V118-M151 CarbonylContact C-O 3.5Å; V118-M151 VanDerWaalsContact CA-O 3.29Å; V118-M151 WeakPolarHBondContact CA-O 3.5Å; S119-M151 PolarHBondContact N-O 2.71Å; S119-M151 PolarHBondContact OG-N 3.15Å; W129-M151 HydrophobicContact CE3-CB 4.47Å; W129-M151 HydrophobicContact CZ3-CB 4.16Å; W129-M151 HydrophobicContact CZ3-CG 4.44Å; F149-M151 HydrophobicContact CZ-SD 4.2Å; M151-Y203 HydrophobicContact CE-CD1 4.13Å; M151-Y203 HydrophobicContact CE-CD2 3.63Å; M151-Y203 HydrophobicContact CE-CE1 4.02Å; M151-Y203 HydrophobicContact CE-CE2 3.47Å; M151-Y203 VanDerWaalsContact CE-CE2 3.47Å; M151-Y203 HydrophobicContact CE-CG 3.94Å; M151-Y203 WeakPolarHBondContact CE-O 3.24Å; M151-Y203 HydrophobicContact SD-CD2 3.5Å; M151-Y203 WeakPolarHBondContact SD-CD2 3.47Å; M151-Y203 HydrophobicContact SD-CE2 3.75Å; M151-Y203 HydrophobicContact SD-CG 4.08Å; M151-L207 HydrophobicContact CE-CD2 3.41Å; M151-L207 VanDerWaalsContact CE-CD2 3.41Å; M151-L207 HydrophobicContact CE-CG 3.78Å
152	A	95.2	Very high	89.7	Confident	11 Å²	11	48.7 Å²	48.7	9%	0.091	28%	0.281	C	S	.	.			trans	-160.9	161.3	174.6	0	0	0	0	0	109	V118 P182 Y203	V118-A152 HydrophobicContact CG2-CB 4.25Å; A152-P182 HydrophobicContact CB-CG 4.24Å; A152-Y203 WeakPolarHBondContact O-CE2 3.39Å; A152-Y203 PolarHBondContact O-OH 3.29Å
153	P	95.9	Very high	90.7	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	28%	0.277	S	S	.	.			trans	-51.2	149.3	172.2	-25	31.6	0	0	0	113	V116 P182 Y203	V116-P153 VanDerWaalsContact O-CD 3.27Å; V116-P153 WeakPolarHBondContact O-CD 3.48Å; V116-P153 VanDerWaalsContact O-CG 3.27Å; V116-P153 WeakPolarHBondContact O-CG 3.46Å; P153-P182 WeakPolarHBondContact O-CG 3.34Å; P153-Y203 PolarHBondContact O-OH 2.92Å
154	P	96.9	Very high	91.7	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.091	26%	0.258	C	S	.	.			trans	-59.5	142.4	170.6	-22.8	34.9	0	0	0	110.9	L113 S156 V157 A179 T180 Y203 L207	L113-P154 HydrophobicContact CB-CG 4.36Å; L113-P154 WeakPolarHBondContact O-CD 3.49Å; P154-S156 PolarHBondContact O-N 2.95Å; P154-V157 HydrophobicContact CB-CG2 3.92Å; P154-V157 HydrophobicContact CG-CG2 4.12Å; P154-A179 HydrophobicContact CB-CB 4.24Å; P154-A179 HydrophobicContact CG-CB 4.22Å; P154-T180 CarbonylContact C-O 3.59Å; P154-T180 WeakPolarHBondContact CA-O 3.46Å; P154-Y203 WeakPolarHBondContact CA-OH 3.26Å; P154-L207 HydrophobicContact CG-CD2 4.23Å
155	A	95.9	Very high	92.8	Very high	70 Å²	70	41 Å²	41	58%	0.579	24%	0.238	S	C	*	.	S	Bend	trans	-70.5	-18.9	176.3	0	0	0	0	0	112.6	T180	A155-T180 HydrophobicContact CB-CG2 4.17Å; A155-T180 PolarHBondContact N-O 2.92Å
156	S	95.5	Very high	93.5	Very high	42 Å²	42	43 Å²	43	29%	0.294	26%	0.262	S	S	.	.			trans	-168.8	158	168.6	50.3	0	0	0	0	109.9	P154 D158 T180 R305	P154-S156 PolarHBondContact O-N 2.95Å; S156-D158 WeakPolarHBondContact CB-OD2 3.36Å; S156-D158 PolarHBondContact OG-OD2 2.79Å; S156-T180 PolarHBondContact O-N 3.49Å; S156-R305 PolarHBondContact OG-NH2 3.32Å
157	V	95.9	Very high	93.9	Very high	25 Å²	25	35 Å²	35	15%	0.152	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118	172.9	-178.4	0	0	0	0	108	T110 L113 P154 L177 A179	T110-V157 HydrophobicContact CG2-CB 4.15Å; T110-V157 HydrophobicContact CG2-CG1 4.42Å; L113-V157 HydrophobicContact CB-CG2 4.11Å; L113-V157 HydrophobicContact CD1-CG1 4.01Å; L113-V157 HydrophobicContact CD1-CG2 4.08Å; P154-V157 HydrophobicContact CB-CG2 3.92Å; P154-V157 HydrophobicContact CG-CG2 4.12Å; V157-L177 HydrophobicContact CG1-CB 4.43Å; V157-L177 HydrophobicContact CG1-CD1 4.45Å; V157-L177 HydrophobicContact CG1-CD2 4.36Å; V157-A179 HydrophobicContact CG2-CB 4.43Å
158	D	95.1	Very high	94.2	Very high	57 Å²	57	34.5 Å²	34.5	31%	0.305	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139	-171.1	-66.4	-129.6	0	0	0	111.8	S156 L177 A178 R305	S156-D158 WeakPolarHBondContact CB-OD2 3.36Å; S156-D158 PolarHBondContact OG-OD2 2.79Å; D158-L177 CarbonylContact O-C 3.58Å; D158-L177 WeakPolarHBondContact O-CA 3.23Å; D158-A178 PolarHBondContact N-O 2.86Å; D158-A178 VanDerWaalsContact N-O 3.12Å; D158-A178 PolarHBondContact O-N 3.37Å; D158-R305 IonicContact OD1-CZ 2.65Å; D158-R305 IonicContact OD1-NH1 2.82Å; D158-R305 PolarHBondContact OD1-NH1 3.45Å; D158-R305 IonicContact OD2-CZ 2.69Å; D158-R305 IonicContact OD2-NH1 2.79Å; D158-R305 PolarHBondContact OD2-NH1 2.79Å; D158-R305 IonicContact OD2-NH2 3.29Å; D158-R305 PolarHBondContact OD2-NH2 3.15Å
159	L	95.4	Very high	94.1	Very high	58 Å²	58	29.8 Å²	29.8	30%	0.304	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.8	171.4	-85.7	166.3	0	0	0	111.2	V106 Y163 P164 V175 L177 L308	V106-L159 HydrophobicContact CG1-CD1 4.26Å; V106-L159 HydrophobicContact CG1-CD2 4.24Å; V106-L159 HydrophobicContact CG1-CG 4.26Å; V106-L159 HydrophobicContact CG2-CD2 4.44Å; L159-Y163 HydrophobicContact CD1-CD1 4.4Å; L159-Y163 HydrophobicContact CD2-CD1 4.15Å; L159-P164 HydrophobicContact CB-CG 4.43Å; L159-V175 HydrophobicContact CD2-CG1 3.78Å; L159-L177 HydrophobicContact CD2-CD2 3.6Å; L159-L177 HydrophobicContact CG-CD2 3.79Å; L159-L308 WeakPolarHBondContact O-CD2 3.42Å
160	I	94.8	Very high	93.9	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	-178	177.4	55.4	154.8	0	0	0	111.3	P164 D176 A178 P304 L308	I160-P164 VanDerWaalsContact O-CD 3.23Å; I160-P164 WeakPolarHBondContact O-CD 3.43Å; I160-D176 HydrophobicContact CD1-CB 4.17Å; I160-D176 HydrophobicContact CG1-CB 3.73Å; I160-D176 PolarHBondContact N-O 3.21Å; I160-A178 HydrophobicContact CD1-CB 3.94Å; I160-A178 HydrophobicContact CG1-CB 4.09Å; I160-A178 HydrophobicContact CG2-CB 4.11Å; I160-P304 HydrophobicContact CD1-CB 3.94Å; I160-L308 HydrophobicContact CG2-CD2 4.37Å
161	G	92.3	Very high	93.4	Very high	26 Å²	26	37.4 Å²	37.4	27%	0.268	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-149.2	173.1	0	0	0	0	0	114.3	Y163	G161-Y163 PolarHBondContact O-N 2.91Å
162	S	93.5	Very high	92.9	Very high	28 Å²	28	42.9 Å²	42.9	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.5	-169.3	-66.1	0	0	0	0	114.3	G166 T167 C168 K329	S162-G166 PolarHBondContact O-N 3.4Å; S162-T167 PolarHBondContact O-N 3.01Å; S162-T167 PolarHBondContact O-OG1 3.19Å; S162-C168 VanDerWaalsContact C-SG 3.54Å; S162-K329 PolarHBondContact OG-NZ 2.96Å
163	Y	94.7	Very high	92.7	Very high	27 Å²	27	43 Å²	43	11%	0.106	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-56.4	-173.5	-172.2	-106.7	0	0	0	113.6	L94 K99 I102 D103 L159 G161 L165 G166 C168 V175	L94-Y163 HydrophobicContact CD1-CD2 3.77Å; L94-Y163 HydrophobicContact CD1-CE2 3.66Å; K99-Y163 WeakPolarHBondContact CA-OH 2.93Å; K99-Y163 PolarHBondContact O-OH 3.16Å; I102-Y163 HydrophobicContact CB-CE2 4.25Å; I102-Y163 HydrophobicContact CD1-CD2 4.41Å; I102-Y163 HydrophobicContact CD1-CE2 3.76Å; I102-Y163 HydrophobicContact CG2-CD1 4.41Å; I102-Y163 HydrophobicContact CG2-CD2 4.38Å; I102-Y163 HydrophobicContact CG2-CE1 3.83Å; I102-Y163 HydrophobicContact CG2-CE2 3.81Å; I102-Y163 VanDerWaalsContact CG2-CZ 3.5Å; D103-Y163 WeakPolarHBondContact OD1-CE1 3.4Å; D103-Y163 PolarHBondContact OD1-OH 3.11Å; L159-Y163 HydrophobicContact CD1-CD1 4.4Å; L159-Y163 HydrophobicContact CD2-CD1 4.15Å; G161-Y163 PolarHBondContact O-N 2.91Å; Y163-L165 PolarHBondContact O-N 3.33Å; Y163-G166 PolarHBondContact O-N 3.26Å; Y163-C168 WeakPolarHBondContact CA-SG 3.41Å; Y163-C168 PolarHBondContact N-SG 2.94Å; Y163-C168 VanDerWaalsContact N-SG 3.39Å; Y163-V175 HydrophobicContact CD1-CG1 4.04Å; Y163-V175 HydrophobicContact CD2-CG2 4.1Å; Y163-V175 HydrophobicContact CG-CG1 3.97Å; Y163-V175 HydrophobicContact CG-CG2 4.21Å
164	P	93.6	Very high	92.5	Very high	59 Å²	59	44.7 Å²	44.7	38%	0.383	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.7	176	26	-35.9	0	0	0	113.7	L159 I160 G166 L308	L159-P164 HydrophobicContact CB-CG 4.43Å; I160-P164 VanDerWaalsContact O-CD 3.23Å; I160-P164 WeakPolarHBondContact O-CD 3.43Å; P164-G166 VanDerWaalsContact C-N 3.32Å; P164-L308 HydrophobicContact CB-CD1 4.23Å; P164-L308 HydrophobicContact CG-CD1 3.69Å; P164-L308 HydrophobicContact CG-CD2 4.1Å
165	L	92.3	Very high	92.4	Very high	34 Å²	34	44 Å²	44	18%	0.178	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.7	172.6	-67	174.7	0	0	0	113.7	Y163 T167 L308 L311	Y163-L165 PolarHBondContact O-N 3.33Å; L165-T167 HydrophobicContact CB-CG2 4.29Å; L165-T167 WeakPolarHBondContact O-CG2 3.23Å; L165-T167 PolarHBondContact O-N 3.48Å; L165-L308 HydrophobicContact CD1-CD1 4.25Å; L165-L308 HydrophobicContact CD2-CD1 3.81Å; L165-L308 HydrophobicContact CG-CD1 3.68Å; L165-L311 HydrophobicContact CD1-CB 3.86Å; L165-L311 HydrophobicContact CD1-CD1 3.79Å; L165-L311 HydrophobicContact CD1-CG 4.48Å; L165-L311 HydrophobicContact CD2-CB 3.94Å
166	G	91.2	Very high	92.4	Very high	60 Å²	60	42.3 Å²	42.3	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	12.8	-176.2	0	0	0	0	0	115	S162 Y163 P164	S162-G166 PolarHBondContact O-N 3.4Å; Y163-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact C-N 3.32Å
167	T	92.5	Very high	92.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	24%	0.235	C	C	.	.			trans	-104.3	16.9	-172.6	65.1	0	0	0	0	114.4	S162 L165 V325 K329	S162-T167 PolarHBondContact O-N 3.01Å; S162-T167 PolarHBondContact O-OG1 3.19Å; L165-T167 HydrophobicContact CB-CG2 4.29Å; L165-T167 WeakPolarHBondContact O-CG2 3.23Å; L165-T167 PolarHBondContact O-N 3.48Å; T167-V325 HydrophobicContact CG2-CB 4.11Å; T167-V325 HydrophobicContact CG2-CG1 3.89Å; T167-K329 VanDerWaalsContact CB-NZ 3.33Å; T167-K329 PolarHBondContact O-NZ 2.9Å; T167-K329 PolarHBondContact OG1-NZ 3.05Å
168	C	91.4	Very high	92.5	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.081	23%	0.228	C	C	.	.			trans	-68.3	132.8	171.6	-76.4	0	0	0	0	111.2	L94 S162 Y163	L94-C168 HydrophobicContact CD1-CB 3.64Å; L94-C168 HydrophobicContact CD2-CB 4.42Å; L94-C168 HydrophobicContact CG-CB 3.94Å; S162-C168 VanDerWaalsContact C-SG 3.54Å; Y163-C168 WeakPolarHBondContact CA-SG 3.41Å; Y163-C168 PolarHBondContact N-SG 2.94Å; Y163-C168 VanDerWaalsContact N-SG 3.39Å
169	V	91.1	Very high	92.6	Very high	32 Å²	32	36.5 Å²	36.5	19%	0.194	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-119.9	148.7	178	-65.4	0	0	0	0	110.9	V92 A326 K329	V92-V169 HydrophobicContact CB-CB 4.32Å; V92-V169 HydrophobicContact CB-CG1 4.41Å; V92-V169 HydrophobicContact CG2-CG1 4.05Å; V92-V169 CarbonylContact O-C 3.51Å; V92-V169 WeakPolarHBondContact O-CA 3.49Å; V169-A326 HydrophobicContact CG1-CB 3.86Å; V169-K329 HydrophobicContact CG2-CB 4.17Å; V169-K329 HydrophobicContact CG2-CD 4.34Å
170	K	89.9	Confident	92.7	Very high	84 Å²	84	33.9 Å²	33.9	37%	0.365	20%	0.2	S	C	.	.	S	Bend	trans	-73.3	159.2	169.8	-69.2	173.7	-154.4	143.4	0	111	E91 V92 S93 I173	E91-K170 WeakPolarHBondContact O-CD 3.33Å; E91-K170 PolarHBondContact O-NZ 3.49Å; V92-K170 WeakPolarHBondContact O-CG 3.33Å; V92-K170 PolarHBondContact O-N 2.98Å; S93-K170 WeakPolarHBondContact O-CE 3.31Å; S93-K170 PolarHBondContact O-NZ 2.86Å; K170-I173 HydrophobicContact CG-CD1 4.43Å
171	P	83.9	Confident	92.7	Very high	86 Å²	86	33.4 Å²	33.4	56%	0.558	20%	0.197	S	C	*	.	S	Bend	cis	-83.9	-24.5	-0.6	32.1	-33.9	0	0	0	114.3	I173	P171-I173 PolarHBondContact O-N 3Å
172	H	83.5	Confident	92.9	Very high	120 Å²	120	32.9 Å²	32.9	56%	0.556	19%	0.189	S	C	*	.			trans	-87.1	77.7	-170.5	-61.7	-61.5	0	0	0	113	K174	H172-K174 PolarHBondContact O-N 2.81Å
173	I	90.8	Very high	93	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.072	20%	0.202	C	C	.	.			trans	-73.2	95.7	179.3	-52	169.6	0	0	0	110.3	L94 R98 I102 K170 P171 V175 F246 T247	L94-I173 HydrophobicContact CD1-CG2 4.49Å; L94-I173 HydrophobicContact CD2-CD1 3.52Å; L94-I173 HydrophobicContact CD2-CG1 3.77Å; L94-I173 HydrophobicContact CD2-CG2 4Å; R98-I173 HydrophobicContact CG-CD1 4.17Å; I102-I173 HydrophobicContact CD1-CG2 4.05Å; K170-I173 HydrophobicContact CG-CD1 4.43Å; P171-I173 PolarHBondContact O-N 3Å; I173-V175 HydrophobicContact CG2-CG2 4.35Å; I173-F246 HydrophobicContact CB-CB 3.88Å; I173-F246 HydrophobicContact CG2-CB 3.77Å; I173-F246 WeakPolarHBondContact O-CA 3.43Å; I173-T247 PolarHBondContact O-N 3.12Å
174	K	91.9	Very high	92.9	Very high	78 Å²	78	37.5 Å²	37.5	34%	0.339	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.7	167.1	-65.4	-173.8	177.3	-176.1	0	110.6	H172 T247	H172-K174 PolarHBondContact O-N 2.81Å; K174-T247 WeakPolarHBondContact CA-O 3.5Å
175	V	95.5	Very high	93	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.9	-178.4	179	0	0	0	0	108.8	I102 V106 L159 Y163 I173 T247 V248 C249	I102-V175 HydrophobicContact CD1-CG2 4.29Å; I102-V175 HydrophobicContact CG2-CB 4.46Å; I102-V175 HydrophobicContact CG2-CG1 4.07Å; I102-V175 HydrophobicContact CG2-CG2 3.82Å; V106-V175 HydrophobicContact CG2-CG1 4.16Å; L159-V175 HydrophobicContact CD2-CG1 3.78Å; Y163-V175 HydrophobicContact CD1-CG1 4.04Å; Y163-V175 HydrophobicContact CD2-CG2 4.1Å; Y163-V175 HydrophobicContact CG-CG1 3.97Å; Y163-V175 HydrophobicContact CG-CG2 4.21Å; I173-V175 HydrophobicContact CG2-CG2 4.35Å; V175-T247 PolarHBondContact N-O 3.34Å; V175-V248 HydrophobicContact CB-CG2 4.41Å; V175-V248 CarbonylContact O-C 3.45Å; V175-V248 WeakPolarHBondContact O-CA 3.33Å; V175-C249 PolarHBondContact O-N 2.78Å
176	D	96	Very high	93.1	Very high	33 Å²	33	33.5 Å²	33.5	18%	0.176	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.5	-169.1	-59.1	-71.7	0	0	0	112.5	I160 H251	I160-D176 HydrophobicContact CD1-CB 4.17Å; I160-D176 HydrophobicContact CG1-CB 3.73Å; I160-D176 PolarHBondContact N-O 3.21Å; D176-H251 IonicContact OD1-CD2 2.74Å; D176-H251 IonicContact OD1-CE1 3.57Å; D176-H251 IonicContact OD1-NE2 3.92Å; D176-H251 PolarHBondContact OD1-NE2 3.37Å
177	L	96.8	Very high	93.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.8	173.1	-69.8	176.7	0	0	0	110.6	V106 V109 V157 D158 L159 V248 C249 H251	V106-L177 HydrophobicContact CG1-CD1 4.47Å; V106-L177 HydrophobicContact CG1-CD2 3.93Å; V109-L177 HydrophobicContact CG1-CD1 3.96Å; V157-L177 HydrophobicContact CG1-CB 4.43Å; V157-L177 HydrophobicContact CG1-CD1 4.45Å; V157-L177 HydrophobicContact CG1-CD2 4.36Å; D158-L177 CarbonylContact O-C 3.58Å; D158-L177 WeakPolarHBondContact O-CA 3.23Å; L159-L177 HydrophobicContact CD2-CD2 3.6Å; L159-L177 HydrophobicContact CG-CD2 3.79Å; L177-V248 HydrophobicContact CD1-CG1 3.51Å; L177-V248 HydrophobicContact CG-CG1 3.9Å; L177-C249 PolarHBondContact N-O 2.91Å; L177-H251 PolarHBondContact O-N 3.14Å
178	A	96.6	Very high	93.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	99.8	174.9	0	0	0	0	0	110.8	D158 I160	D158-A178 PolarHBondContact N-O 2.86Å; D158-A178 VanDerWaalsContact N-O 3.12Å; D158-A178 PolarHBondContact O-N 3.37Å; I160-A178 HydrophobicContact CD1-CB 3.94Å; I160-A178 HydrophobicContact CG1-CB 4.09Å; I160-A178 HydrophobicContact CG2-CB 4.11Å
179	A	97	Very high	93.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.5	171.4	0	0	0	0	0	110.1	P154 V157 L207 V250 H251 V252 C253	P154-A179 HydrophobicContact CB-CB 4.24Å; P154-A179 HydrophobicContact CG-CB 4.22Å; V157-A179 HydrophobicContact CG2-CB 4.43Å; A179-L207 HydrophobicContact CB-CD1 4.32Å; A179-V250 HydrophobicContact CB-CG1 4.09Å; A179-H251 PolarHBondContact N-O 3.38Å; A179-V252 WeakPolarHBondContact O-CA 3.47Å; A179-C253 PolarHBondContact O-N 3.05Å
180	T	96.8	Very high	93.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.3	-178.7	-75.3	0	0	0	0	111.6	P154 A155 S156 C253 P255 R305	P154-T180 CarbonylContact C-O 3.59Å; P154-T180 WeakPolarHBondContact CA-O 3.46Å; A155-T180 HydrophobicContact CB-CG2 4.17Å; A155-T180 PolarHBondContact N-O 2.92Å; S156-T180 PolarHBondContact O-N 3.49Å; T180-C253 CarbonylContact C-O 3.39Å; T180-C253 WeakPolarHBondContact CA-O 3.32Å; T180-P255 HydrophobicContact CG2-CB 4.35Å; T180-P255 HydrophobicContact CG2-CG 4.31Å; T180-R305 PolarHBondContact OG1-NH2 2.8Å
181	I	96.5	Very high	93.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.6	132.3	173.2	-52.4	172.8	0	0	0	109.4	V185 L186 Y196 R200 Y203 V252 C253 P255	I181-V185 HydrophobicContact CG2-CB 3.68Å; I181-V185 HydrophobicContact CG2-CG1 3.75Å; I181-V185 HydrophobicContact CG2-CG2 4.27Å; I181-L186 HydrophobicContact CB-CD1 4.37Å; I181-L186 HydrophobicContact CB-CG 4.44Å; I181-L186 HydrophobicContact CD1-CD1 4.36Å; I181-L186 HydrophobicContact CD1-CD2 4.03Å; I181-L186 HydrophobicContact CD1-CG 4.48Å; I181-L186 HydrophobicContact CG2-CD1 4.46Å; I181-L186 HydrophobicContact CG2-CD2 4.24Å; I181-L186 HydrophobicContact CG2-CG 3.99Å; I181-Y196 HydrophobicContact CD1-CE2 4.06Å; I181-R200 HydrophobicContact CD1-CB 4.46Å; I181-Y203 HydrophobicContact CG1-CD1 3.98Å; I181-Y203 HydrophobicContact CG1-CE1 4.31Å; I181-Y203 HydrophobicContact CG1-CG 4.16Å; I181-Y203 HydrophobicContact CG2-CD2 4.16Å; I181-Y203 HydrophobicContact CG2-CE2 4.27Å; I181-Y203 HydrophobicContact CG2-CG 4.47Å; I181-V252 HydrophobicContact CD1-CG1 3.58Å; I181-V252 HydrophobicContact CG1-CG1 3.33Å; I181-C253 WeakPolarHBondContact CG1-O 3.37Å; I181-C253 PolarHBondContact N-O 2.81Å; I181-P255 WeakPolarHBondContact O-CD 3.43Å; I181-P255 WeakPolarHBondContact O-CG 3.21Å
182	P	95.9	Very high	94.1	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.104	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-56.4	143.4	171.2	-27.6	36.3	0	0	0	114	A152 P153 D184 V185	A152-P182 HydrophobicContact CB-CG 4.24Å; P153-P182 WeakPolarHBondContact O-CG 3.34Å; P182-D184 PolarHBondContact O-N 3.27Å; P182-D184 VanDerWaalsContact O-N 3.14Å; P182-V185 HydrophobicContact CB-CG2 4.14Å; P182-V185 HydrophobicContact CG-CG2 4.44Å; P182-V185 WeakPolarHBondContact O-CB 3.37Å; P182-V185 PolarHBondContact O-N 3.35Å; P182-V185 VanDerWaalsContact O-N 3.16Å
183	A	94.3	Very high	94.5	Very high	57 Å²	57	32.4 Å²	32.4	47%	0.471	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	-171.6	0	0	0	0	0	114.7	P255 F258	A183-P255 HydrophobicContact CB-CG 4.02Å; A183-F258 HydrophobicContact CB-CD2 4.4Å; A183-F258 HydrophobicContact CB-CE2 4.21Å; A183-F258 WeakPolarHBondContact O-CE2 3.4Å
184	D	93.8	Very high	94.5	Very high	94 Å²	94	31.9 Å²	31.9	50%	0.503	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9	-179.8	83.1	-53.9	0	0	0	114	K121 H150 P182	K121-D184 IonicContact NZ-OD2 2.96Å; K121-D184 PolarHBondContact NZ-OD2 2.99Å; H150-D184 PolarHBondContact NE2-O 2.82Å; H150-D184 IonicContact NE2-OD1 2.59Å; H150-D184 PolarHBondContact NE2-OD1 3.18Å; H150-D184 IonicContact NE2-OD2 3.39Å; H150-D184 PolarHBondContact NE2-OD2 2.87Å; P182-D184 PolarHBondContact O-N 3.27Å; P182-D184 VanDerWaalsContact O-N 3.14Å
185	V	94.9	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-32.4	165.9	178.2	0	0	0	0	109.9	F149 H150 I181 P182 K199	F149-V185 HydrophobicContact CD2-CG1 3.86Å; F149-V185 HydrophobicContact CE2-CG1 3.76Å; H150-V185 VanDerWaalsContact CE1-CA 3.45Å; H150-V185 WeakPolarHBondContact CE1-CA 3.48Å; H150-V185 WeakPolarHBondContact NE2-CA 3.32Å; H150-V185 WeakPolarHBondContact NE2-CG2 3.39Å; H150-V185 PolarHBondContact NE2-N 2.87Å; H150-V185 WeakPolarHBondContact O-CG1 3.34Å; I181-V185 HydrophobicContact CG2-CB 3.68Å; I181-V185 HydrophobicContact CG2-CG1 3.75Å; I181-V185 HydrophobicContact CG2-CG2 4.27Å; P182-V185 HydrophobicContact CB-CG2 4.14Å; P182-V185 HydrophobicContact CG-CG2 4.44Å; P182-V185 WeakPolarHBondContact O-CB 3.37Å; P182-V185 PolarHBondContact O-N 3.35Å; P182-V185 VanDerWaalsContact O-N 3.16Å; V185-K199 PolarHBondContact O-NZ 3.23Å
186	L	95.2	Very high	94.5	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.047	16%	0.164	C	C	.	.	S	Bend	trans	-93.1	165.4	177.4	-60.4	-175.6	0	0	0	112	I181 Y196 K199 P254 F258	I181-L186 HydrophobicContact CB-CD1 4.37Å; I181-L186 HydrophobicContact CB-CG 4.44Å; I181-L186 HydrophobicContact CD1-CD1 4.36Å; I181-L186 HydrophobicContact CD1-CD2 4.03Å; I181-L186 HydrophobicContact CD1-CG 4.48Å; I181-L186 HydrophobicContact CG2-CD1 4.46Å; I181-L186 HydrophobicContact CG2-CD2 4.24Å; I181-L186 HydrophobicContact CG2-CG 3.99Å; L186-Y196 HydrophobicContact CD1-CD2 4.35Å; L186-Y196 HydrophobicContact CD1-CE2 4.45Å; L186-Y196 HydrophobicContact CD2-CD2 4.07Å; L186-K199 HydrophobicContact CD2-CB 4.24Å; L186-K199 HydrophobicContact CD2-CD 3.96Å; L186-P254 HydrophobicContact CD1-CB 3.81Å; L186-F258 HydrophobicContact CB-CD1 4.42Å; L186-F258 HydrophobicContact CB-CE1 3.6Å; L186-F258 HydrophobicContact CB-CE2 4.15Å; L186-F258 HydrophobicContact CB-CZ 3.44Å; L186-F258 VanDerWaalsContact CB-CZ 3.44Å; L186-F258 HydrophobicContact CD1-CD1 4.21Å; L186-F258 HydrophobicContact CD1-CE1 4.18Å
187	H	94.3	Very high	94.4	Very high	95 Å²	95	29.3 Å²	29.3	44%	0.44	16%	0.156	S	C	.	.			trans	-136.5	143.6	174.5	171	-99	0	0	0	110.4	K189 D190	H187-K189 PolarHBondContact ND1-N 2.91Å; H187-K189 PolarHBondContact O-N 3.29Å; H187-D190 WeakPolarHBondContact CB-OD2 3.21Å; H187-D190 PolarHBondContact N-OD2 3.48Å; H187-D190 IonicContact ND1-OD1 2.86Å; H187-D190 VanDerWaalsContact O-CB 3.31Å; H187-D190 WeakPolarHBondContact O-CB 3.45Å; H187-D190 PolarHBondContact O-N 2.74Å
188	P	92.6	Very high	94.2	Very high	80 Å²	80	29.4 Å²	29.4	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-5.2	-173	-28	37	0	0	0	117.3	F191	P188-F191 VanDerWaalsContact O-CD1 3.31Å; P188-F191 WeakPolarHBondContact O-CD1 3.43Å; P188-F191 WeakPolarHBondContact O-CE1 3.26Å
189	K	93.4	Very high	94.1	Very high	132 Å²	132	29.7 Å²	29.7	57%	0.574	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	8.3	171.2	-64	-171.5	175.7	-176.3	0	114.1	H187 F191 L192	H187-K189 PolarHBondContact ND1-N 2.91Å; H187-K189 PolarHBondContact O-N 3.29Å; K189-F191 PolarHBondContact O-N 2.82Å; K189-L192 PolarHBondContact O-N 2.68Å
190	D	94.6	Very high	94	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.7	-178.1	-68.8	-14.1	0	0	0	113.9	H187 L192 R195 Y196 K199 F259	H187-D190 WeakPolarHBondContact CB-OD2 3.21Å; H187-D190 PolarHBondContact N-OD2 3.48Å; H187-D190 IonicContact ND1-OD1 2.86Å; H187-D190 VanDerWaalsContact O-CB 3.31Å; H187-D190 WeakPolarHBondContact O-CB 3.45Å; H187-D190 PolarHBondContact O-N 2.74Å; D190-L192 PolarHBondContact O-N 2.98Å; D190-R195 HydrophobicContact CB-CB 3.91Å; D190-R195 WeakPolarHBondContact O-CB 3.25Å; D190-Y196 VanDerWaalsContact O-CB 3.25Å; D190-Y196 WeakPolarHBondContact O-CB 3.42Å; D190-Y196 PolarHBondContact O-N 3.02Å; D190-K199 WeakPolarHBondContact OD2-CD 3.4Å; D190-K199 VanDerWaalsContact OD2-CE 3.24Å; D190-K199 WeakPolarHBondContact OD2-CE 3.01Å; D190-K199 IonicContact OD2-NZ 2.73Å; D190-K199 PolarHBondContact OD2-NZ 2.95Å; D190-F259 HydrophobicContact CB-CZ 4.3Å
191	F	93	Very high	93.9	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.053	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.1	166.4	68.6	-91.9	0	0	0	112.7	P188 K189 F259 R263 F264 N270 Y294	P188-F191 VanDerWaalsContact O-CD1 3.31Å; P188-F191 WeakPolarHBondContact O-CD1 3.43Å; P188-F191 WeakPolarHBondContact O-CE1 3.26Å; K189-F191 PolarHBondContact O-N 2.82Å; F191-F259 HydrophobicContact CB-CD1 4.18Å; F191-F259 HydrophobicContact CB-CE1 4.16Å; F191-F259 HydrophobicContact CD1-CD1 4.2Å; F191-F259 HydrophobicContact CD1-CE1 4.33Å; F191-R263 VanDerWaalsContact CZ-NH1 3.34Å; F191-F264 HydrophobicContact CB-CE1 3.8Å; F191-F264 HydrophobicContact CB-CZ 3.79Å; F191-N270 HydrophobicContact CD2-CB 4.5Å; F191-N270 WeakPolarHBondContact CD2-OD1 3.43Å; F191-N270 WeakPolarHBondContact CE2-OD1 3.38Å; F191-Y294 VanDerWaalsContact O-CE1 3.25Å; F191-Y294 WeakPolarHBondContact O-CE1 3.26Å; F191-Y294 PolarHBondContact O-OH 3.46Å
192	L	92.9	Very high	93.8	Very high	37 Å²	37	29.9 Å²	29.9	19%	0.194	16%	0.158	C	C	.	.	S	Bend	trans	-83.3	144.2	179	-66.3	173.2	0	0	0	112.8	K189 D190 Q194 R195 N270	K189-L192 PolarHBondContact O-N 2.68Å; D190-L192 PolarHBondContact O-N 2.98Å; L192-Q194 PolarHBondContact O-N 2.61Å; L192-R195 WeakPolarHBondContact O-CD 3.45Å; L192-R195 VanDerWaalsContact O-CG 3.26Å; L192-R195 WeakPolarHBondContact O-CG 3.31Å; L192-R195 PolarHBondContact O-N 2.69Å; L192-N270 WeakPolarHBondContact CA-O 3.45Å; L192-N270 HydrophobicContact CD2-CB 4.28Å
193	N	91.6	Very high	93.8	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.08	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	49	163.6	-62.6	10.7	0	0	0	113.3	R195 N270 R272 W275	N193-R195 PolarHBondContact O-N 2.79Å; N193-N270 PolarHBondContact N-O 2.86Å; N193-R272 PolarHBondContact OD1-N 3.02Å; N193-W275 HydrophobicContact CB-CD2 3.56Å; N193-W275 HydrophobicContact CB-CE3 3.68Å; N193-W275 HydrophobicContact CB-CG 4.01Å; N193-W275 HydrophobicContact CB-CH2 4.33Å; N193-W275 HydrophobicContact CB-CZ2 4.24Å; N193-W275 HydrophobicContact CB-CZ3 4.07Å; N193-W275 WeakPolarHBondContact ND2-CB 3.43Å; N193-W275 WeakPolarHBondContact O-CH2 3.31Å; N193-W275 WeakPolarHBondContact O-CZ2 3.37Å
194	Q	92	Very high	93.8	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.014	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	16	178	-57.6	173.5	-0.7	0	0	116.3	V141 L192 Y196 P197 R198 L230 W275 Y294 S496	V141-Q194 PolarHBondContact O-OE1 2.79Å; L192-Q194 PolarHBondContact O-N 2.61Å; Q194-Y196 PolarHBondContact O-N 3.48Å; Q194-P197 WeakPolarHBondContact O-CD 3.4Å; Q194-R198 WeakPolarHBondContact O-CB 3.35Å; Q194-R198 VanDerWaalsContact O-CD 3.32Å; Q194-R198 WeakPolarHBondContact O-CD 3.31Å; Q194-R198 WeakPolarHBondContact O-CG 3.21Å; Q194-R198 PolarHBondContact O-N 3.06Å; Q194-L230 HydrophobicContact CG-CD2 4.38Å; Q194-W275 HydrophobicContact CB-CH2 3.92Å; Q194-W275 HydrophobicContact CG-CH2 3.85Å; Q194-W275 HydrophobicContact CG-CZ3 4.18Å; Q194-Y294 WeakPolarHBondContact CA-OH 3.46Å; Q194-Y294 HydrophobicContact CB-CE2 4.42Å; Q194-Y294 HydrophobicContact CG-CE2 3.89Å; Q194-Y294 PolarHBondContact N-OH 2.91Å; Q194-S496 PolarHBondContact NE2-OG 3.49Å
195	R	93.1	Very high	93.9	Very high	55 Å²	55	21.9 Å²	21.9	21%	0.208	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-46	-177.7	-66.1	169.1	-160.9	-155.6	9.4	112.2	T145 D190 L192 N193 R198 K199	T145-R195 HydrophobicContact CG2-CG 3.82Å; D190-R195 HydrophobicContact CB-CB 3.91Å; D190-R195 WeakPolarHBondContact O-CB 3.25Å; L192-R195 WeakPolarHBondContact O-CD 3.45Å; L192-R195 VanDerWaalsContact O-CG 3.26Å; L192-R195 WeakPolarHBondContact O-CG 3.31Å; L192-R195 PolarHBondContact O-N 2.69Å; N193-R195 PolarHBondContact O-N 2.79Å; R195-R198 PolarHBondContact O-N 3.02Å; R195-K199 WeakPolarHBondContact O-CG 2.89Å; R195-K199 PolarHBondContact O-N 2.9Å
196	Y	94.4	Very high	93.9	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-53.5	176.5	165.4	-103.8	0	0	0	111.9	I181 L186 D190 Q194 R198 K199 R200 V252 P254 F259 I298 D301	I181-Y196 HydrophobicContact CD1-CE2 4.06Å; L186-Y196 HydrophobicContact CD1-CD2 4.35Å; L186-Y196 HydrophobicContact CD1-CE2 4.45Å; L186-Y196 HydrophobicContact CD2-CD2 4.07Å; D190-Y196 VanDerWaalsContact O-CB 3.25Å; D190-Y196 WeakPolarHBondContact O-CB 3.42Å; D190-Y196 PolarHBondContact O-N 3.02Å; Q194-Y196 PolarHBondContact O-N 3.48Å; Y196-R198 VanDerWaalsContact C-N 3.26Å; Y196-R198 PolarHBondContact O-N 3.01Å; Y196-K199 PolarHBondContact O-N 2.99Å; Y196-K199 VanDerWaalsContact O-N 3.15Å; Y196-R200 HydrophobicContact CE2-CB 4.22Å; Y196-R200 HydrophobicContact CE2-CG 4.48Å; Y196-R200 WeakPolarHBondContact O-CB 3.18Å; Y196-R200 PolarHBondContact O-N 2.93Å; Y196-R200 WeakPolarHBondContact OH-CD 3.4Å; Y196-V252 PolarHBondContact OH-O 3.12Å; Y196-P254 HydrophobicContact CE2-CB 4.13Å; Y196-P254 HydrophobicContact CE2-CG 4.47Å; Y196-P254 WeakPolarHBondContact OH-CD 3.35Å; Y196-F259 HydrophobicContact CD2-CE2 4.05Å; Y196-F259 HydrophobicContact CD2-CZ 4.45Å; Y196-F259 HydrophobicContact CG-CE2 4.03Å; Y196-F259 HydrophobicContact CG-CZ 4.42Å; Y196-I298 HydrophobicContact CD1-CD1 4.12Å; Y196-I298 HydrophobicContact CD1-CG1 4Å; Y196-I298 HydrophobicContact CD1-CG2 4.02Å; Y196-I298 HydrophobicContact CE1-CG1 4.47Å; Y196-I298 HydrophobicContact CE1-CG2 4.28Å; Y196-D301 HydrophobicContact CE1-CB 4.39Å; Y196-D301 WeakPolarHBondContact CE1-OD2 3.38Å; Y196-D301 PolarHBondContact OH-OD2 3.29Å
197	P	93.6	Very high	93.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-53.8	-38	174.8	-30.1	36.6	0	0	0	114.3	F138 Q194 A201 L230 Y294	F138-P197 HydrophobicContact CE2-CB 3.62Å; F138-P197 HydrophobicContact CZ-CB 3.96Å; Q194-P197 WeakPolarHBondContact O-CD 3.4Å; P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.15Å; P197-L230 HydrophobicContact CB-CB 4.21Å; P197-L230 HydrophobicContact CB-CD2 4.13Å; P197-L230 HydrophobicContact CG-CB 4.34Å; P197-L230 HydrophobicContact CG-CD2 4.39Å; P197-Y294 HydrophobicContact CG-CE2 4.27Å
198	R	91.9	Very high	94	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.015	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-48.3	175.9	-69.9	163.6	-172.2	-121.5	-6.9	112	V124 F138 V141 P142 T145 Q194 R195 Y196 R200 A201 L202	V124-R198 HydrophobicContact CG1-CB 4.34Å; F138-R198 HydrophobicContact CD1-CG 3.92Å; F138-R198 HydrophobicContact CE1-CG 3.54Å; F138-R198 HydrophobicContact CZ-CG 3.87Å; V141-R198 VanDerWaalsContact C-NH2 3.33Å; V141-R198 PolarHBondContact O-NH2 3.46Å; P142-R198 VanDerWaalsContact O-CZ 3.3Å; P142-R198 PolarHBondContact O-NH1 2.94Å; P142-R198 PolarHBondContact O-NH2 2.72Å; T145-R198 PolarHBondContact OG1-NH1 3.39Å; Q194-R198 WeakPolarHBondContact O-CB 3.35Å; Q194-R198 VanDerWaalsContact O-CD 3.32Å; Q194-R198 WeakPolarHBondContact O-CD 3.31Å; Q194-R198 WeakPolarHBondContact O-CG 3.21Å; Q194-R198 PolarHBondContact O-N 3.06Å; R195-R198 PolarHBondContact O-N 3.02Å; Y196-R198 VanDerWaalsContact C-N 3.26Å; Y196-R198 PolarHBondContact O-N 3.01Å; R198-R200 VanDerWaalsContact C-N 3.33Å; R198-R200 PolarHBondContact O-N 2.9Å; R198-A201 PolarHBondContact O-N 2.97Å; R198-L202 WeakPolarHBondContact O-CG 3.13Å; R198-L202 PolarHBondContact O-N 3.47Å
199	K	94.3	Very high	94	Very high	6 Å²	6	16 Å²	16	3%	0.026	7%	0.073	C	C	.	.	H	α-helix	trans	-60.9	-40.9	174.5	-75.1	-172.6	172.1	-170.4	0	112.6	V124 K148 F149 V185 L186 D190 R195 Y196 A201 L202 Y203	V124-K199 HydrophobicContact CG2-CG 3.99Å; K148-K199 WeakPolarHBondContact O-CE 3.38Å; K148-K199 PolarHBondContact O-NZ 2.73Å; F149-K199 HydrophobicContact CD2-CB 4.31Å; F149-K199 HydrophobicContact CD2-CG 4.15Å; V185-K199 PolarHBondContact O-NZ 3.23Å; L186-K199 HydrophobicContact CD2-CB 4.24Å; L186-K199 HydrophobicContact CD2-CD 3.96Å; D190-K199 WeakPolarHBondContact OD2-CD 3.4Å; D190-K199 VanDerWaalsContact OD2-CE 3.24Å; D190-K199 WeakPolarHBondContact OD2-CE 3.01Å; D190-K199 IonicContact OD2-NZ 2.73Å; D190-K199 PolarHBondContact OD2-NZ 2.95Å; R195-K199 WeakPolarHBondContact O-CG 2.89Å; R195-K199 PolarHBondContact O-N 2.9Å; Y196-K199 PolarHBondContact O-N 2.99Å; Y196-K199 VanDerWaalsContact O-N 3.15Å; K199-A201 VanDerWaalsContact C-N 3.35Å; K199-L202 PolarHBondContact O-N 2.69Å; K199-Y203 VanDerWaalsContact O-CB 3.3Å; K199-Y203 WeakPolarHBondContact O-CB 3.5Å; K199-Y203 PolarHBondContact O-N 3.13Å
200	R	94.4	Very high	94.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.2	-43.7	175.7	-174.3	-165	179.2	-70.7	-3.8	111.3	I181 Y196 R198 L204 P232 V252 D301	I181-R200 HydrophobicContact CD1-CB 4.46Å; Y196-R200 HydrophobicContact CE2-CB 4.22Å; Y196-R200 HydrophobicContact CE2-CG 4.48Å; Y196-R200 WeakPolarHBondContact O-CB 3.18Å; Y196-R200 PolarHBondContact O-N 2.93Å; Y196-R200 WeakPolarHBondContact OH-CD 3.4Å; R198-R200 VanDerWaalsContact C-N 3.33Å; R198-R200 PolarHBondContact O-N 2.9Å; R200-L204 WeakPolarHBondContact O-CB 3.33Å; R200-L204 PolarHBondContact O-N 3.41Å; R200-P232 PolarHBondContact NH1-O 3.29Å; R200-V252 HydrophobicContact CG-CB 4.07Å; R200-V252 HydrophobicContact CG-CG1 3.87Å; R200-V252 PolarHBondContact NE-O 3.03Å; R200-V252 PolarHBondContact NH2-O 2.68Å; R200-D301 WeakPolarHBondContact CD-OD2 3.45Å; R200-D301 IonicContact CZ-OD2 2.67Å; R200-D301 IonicContact NE-OD1 2.74Å; R200-D301 IonicContact NE-OD2 3.6Å; R200-D301 PolarHBondContact NE-OD2 2.74Å; R200-D301 IonicContact NH2-OD1 2.71Å
201	A	94.7	Very high	94	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-71.9	-37.2	175.8	0	0	0	0	0	113.7	V136 P137 F138 P197 R198 K199 L204 A205 P232	V136-A201 HydrophobicContact CG1-CB 4.16Å; P137-A201 HydrophobicContact CG-CB 4.28Å; F138-A201 HydrophobicContact CB-CB 3.74Å; F138-A201 HydrophobicContact CD2-CB 3.84Å; F138-A201 HydrophobicContact CG-CB 4.14Å; P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.15Å; R198-A201 PolarHBondContact O-N 2.97Å; K199-A201 VanDerWaalsContact C-N 3.35Å; A201-L204 PolarHBondContact O-N 3.3Å; A201-A205 PolarHBondContact O-N 3.32Å; A201-P232 HydrophobicContact CB-CG 3.96Å
202	L	94.3	Very high	94	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-45.8	171.2	-71.4	170.1	0	0	0	111	V124 L127 W129 V136 F149 R198 K199 A205 G206	V124-L202 HydrophobicContact CG1-CD1 4.12Å; V124-L202 HydrophobicContact CG2-CD1 4.49Å; L127-L202 HydrophobicContact CD2-CD2 3.46Å; L127-L202 VanDerWaalsContact CD2-CD2 3.46Å; W129-L202 WeakPolarHBondContact CH2-O 3.34Å; W129-L202 HydrophobicContact CZ2-CB 4.26Å; W129-L202 HydrophobicContact CZ2-CD2 4.19Å; V136-L202 HydrophobicContact CG1-CD2 4.16Å; V136-L202 HydrophobicContact CG2-CD2 3.89Å; F149-L202 HydrophobicContact CB-CD1 4.37Å; F149-L202 HydrophobicContact CD1-CB 4.36Å; F149-L202 HydrophobicContact CD1-CD1 4.32Å; F149-L202 HydrophobicContact CD2-CB 4.16Å; F149-L202 HydrophobicContact CD2-CD1 4.2Å; F149-L202 HydrophobicContact CE1-CB 4.04Å; F149-L202 HydrophobicContact CE2-CB 3.79Å; F149-L202 HydrophobicContact CG-CB 4.43Å; F149-L202 HydrophobicContact CG-CD1 4.02Å; F149-L202 HydrophobicContact CZ-CB 3.74Å; R198-L202 WeakPolarHBondContact O-CG 3.13Å; R198-L202 PolarHBondContact O-N 3.47Å; K199-L202 PolarHBondContact O-N 2.69Å; L202-A205 PolarHBondContact O-N 2.94Å; L202-G206 PolarHBondContact O-N 2.9Å
203	Y	95.8	Very high	93.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-46.3	177.2	-164.1	-97.1	0	0	0	111.4	F149 M151 A152 P153 P154 I181 K199 A205 G206 L207 V252	F149-Y203 HydrophobicContact CE2-CD2 4.42Å; F149-Y203 HydrophobicContact CZ-CD2 4.38Å; M151-Y203 HydrophobicContact CE-CD1 4.13Å; M151-Y203 HydrophobicContact CE-CD2 3.63Å; M151-Y203 HydrophobicContact CE-CE1 4.02Å; M151-Y203 HydrophobicContact CE-CE2 3.47Å; M151-Y203 VanDerWaalsContact CE-CE2 3.47Å; M151-Y203 HydrophobicContact CE-CG 3.94Å; M151-Y203 WeakPolarHBondContact CE-O 3.24Å; M151-Y203 HydrophobicContact SD-CD2 3.5Å; M151-Y203 WeakPolarHBondContact SD-CD2 3.47Å; M151-Y203 HydrophobicContact SD-CE2 3.75Å; M151-Y203 HydrophobicContact SD-CG 4.08Å; A152-Y203 WeakPolarHBondContact O-CE2 3.39Å; A152-Y203 PolarHBondContact O-OH 3.29Å; P153-Y203 PolarHBondContact O-OH 2.92Å; P154-Y203 WeakPolarHBondContact CA-OH 3.26Å; I181-Y203 HydrophobicContact CG1-CD1 3.98Å; I181-Y203 HydrophobicContact CG1-CE1 4.31Å; I181-Y203 HydrophobicContact CG1-CG 4.16Å; I181-Y203 HydrophobicContact CG2-CD2 4.16Å; I181-Y203 HydrophobicContact CG2-CE2 4.27Å; I181-Y203 HydrophobicContact CG2-CG 4.47Å; K199-Y203 VanDerWaalsContact O-CB 3.3Å; K199-Y203 WeakPolarHBondContact O-CB 3.5Å; K199-Y203 PolarHBondContact O-N 3.13Å; Y203-A205 VanDerWaalsContact C-N 3.28Å; Y203-A205 PolarHBondContact O-N 3.43Å; Y203-G206 PolarHBondContact O-N 3.4Å; Y203-G206 VanDerWaalsContact O-N 3.08Å; Y203-L207 HydrophobicContact CD1-CD1 4.11Å; Y203-L207 HydrophobicContact CD1-CG 4.25Å; Y203-L207 HydrophobicContact CE1-CD1 3.98Å; Y203-L207 HydrophobicContact CE1-CD2 4.13Å; Y203-L207 HydrophobicContact CE1-CG 4.16Å; Y203-L207 WeakPolarHBondContact O-CG 3.41Å; Y203-L207 PolarHBondContact O-N 2.84Å; Y203-V252 HydrophobicContact CD1-CG1 3.65Å; Y203-V252 HydrophobicContact CD1-CG2 4.03Å; Y203-V252 HydrophobicContact CE1-CG1 4.43Å; Y203-V252 HydrophobicContact CG-CG1 4.36Å
204	L	95.9	Very high	93.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-37.1	174.5	-166.1	72.2	0	0	0	112.7	P137 R200 A201 L207 A208 Y222 P232 L234 V252	P137-L204 HydrophobicContact CG-CD2 3.95Å; R200-L204 WeakPolarHBondContact O-CB 3.33Å; R200-L204 PolarHBondContact O-N 3.41Å; A201-L204 PolarHBondContact O-N 3.3Å; L204-L207 PolarHBondContact O-N 3.37Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.37Å; L204-Y222 HydrophobicContact CD2-CD1 4.18Å; L204-Y222 HydrophobicContact CD2-CE1 4.23Å; L204-Y222 HydrophobicContact CG-CE1 4.23Å; L204-P232 HydrophobicContact CD2-CB 3.95Å; L204-P232 HydrophobicContact CD2-CG 4.22Å; L204-P232 WeakPolarHBondContact CD2-O 3.37Å; L204-L234 HydrophobicContact CD1-CB 3.64Å; L204-L234 HydrophobicContact CD2-CB 4.47Å; L204-L234 HydrophobicContact CG-CB 4.08Å; L204-V252 HydrophobicContact CB-CG2 4.26Å; L204-V252 HydrophobicContact CD1-CG2 3.55Å
205	A	95.1	Very high	93.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.2	-34.5	174.8	0	0	0	0	0	113.1	L130 V134 V136 A201 L202 Y203 A208 Q209 Y222	L130-A205 HydrophobicContact CD1-CB 4.11Å; L130-A205 HydrophobicContact CD2-CB 4.16Å; V134-A205 HydrophobicContact CG1-CB 4.32Å; V136-A205 HydrophobicContact CG2-CB 4.47Å; A201-A205 PolarHBondContact O-N 3.32Å; L202-A205 PolarHBondContact O-N 2.94Å; Y203-A205 VanDerWaalsContact C-N 3.28Å; Y203-A205 PolarHBondContact O-N 3.43Å; A205-A208 PolarHBondContact O-N 3.45Å; A205-Q209 WeakPolarHBondContact O-CB 3.45Å; A205-Q209 PolarHBondContact O-N 3Å; A205-Y222 WeakPolarHBondContact CA-OH 3.2Å
206	G	94.8	Very high	93.4	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-42.1	171	0	0	0	0	0	112.7	L202 Y203 Q209 H210	L202-G206 PolarHBondContact O-N 2.9Å; Y203-G206 PolarHBondContact O-N 3.4Å; Y203-G206 VanDerWaalsContact O-N 3.08Å; G206-Q209 PolarHBondContact O-N 2.85Å; G206-H210 PolarHBondContact O-N 3.16Å; G206-H210 VanDerWaalsContact O-N 3.12Å
207	L	95.6	Very high	93.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-46.1	172.9	-60.3	-178	0	0	0	111.3	L113 V116 M151 P154 A179 Y203 L204 Q209 H210 L211 V250 V252	L113-L207 HydrophobicContact CD2-CB 4.21Å; L113-L207 HydrophobicContact CD2-CD1 4Å; L113-L207 HydrophobicContact CD2-CD2 3.77Å; L113-L207 HydrophobicContact CD2-CG 4.2Å; V116-L207 HydrophobicContact CG1-CD2 4.48Å; V116-L207 HydrophobicContact CG2-CD2 3.84Å; M151-L207 HydrophobicContact CE-CD2 3.41Å; M151-L207 VanDerWaalsContact CE-CD2 3.41Å; M151-L207 HydrophobicContact CE-CG 3.78Å; P154-L207 HydrophobicContact CG-CD2 4.23Å; A179-L207 HydrophobicContact CB-CD1 4.32Å; Y203-L207 HydrophobicContact CD1-CD1 4.11Å; Y203-L207 HydrophobicContact CD1-CG 4.25Å; Y203-L207 HydrophobicContact CE1-CD1 3.98Å; Y203-L207 HydrophobicContact CE1-CD2 4.13Å; Y203-L207 HydrophobicContact CE1-CG 4.16Å; Y203-L207 WeakPolarHBondContact O-CG 3.41Å; Y203-L207 PolarHBondContact O-N 2.84Å; L204-L207 PolarHBondContact O-N 3.37Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3Å; L207-H210 PolarHBondContact O-N 2.96Å; L207-L211 WeakPolarHBondContact O-CB 3.42Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.21Å; L207-V250 HydrophobicContact CD1-CG1 4.36Å; L207-V252 HydrophobicContact CD1-CG2 3.87Å
208	A	95.6	Very high	93.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-39.2	178	0	0	0	0	0	112.5	V134 L204 A205 K212 Y222 L234 V534	V134-A208 HydrophobicContact CG1-CB 4.15Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.37Å; A205-A208 PolarHBondContact O-N 3.45Å; A208-K212 WeakPolarHBondContact O-CB 3.43Å; A208-K212 PolarHBondContact O-N 2.87Å; A208-Y222 HydrophobicContact CB-CE1 4.11Å; A208-L234 HydrophobicContact CB-CD1 3.85Å; A208-L234 HydrophobicContact CB-CD2 3.92Å; A208-V534 HydrophobicContact CB-CG1 4.25Å
209	Q	94.3	Very high	93.1	Very high	57 Å²	57	29.5 Å²	29.5	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-43.9	174.4	175.4	173.9	-74	0	0	112.6	L130 S131 V134 A205 G206 L207	L130-Q209 HydrophobicContact CD1-CB 4.36Å; S131-Q209 VanDerWaalsContact CB-OE1 3.26Å; S131-Q209 PolarHBondContact OG-OE1 2.93Å; V134-Q209 HydrophobicContact CB-CB 4.49Å; V134-Q209 HydrophobicContact CG2-CB 4.2Å; A205-Q209 WeakPolarHBondContact O-CB 3.45Å; A205-Q209 PolarHBondContact O-N 3Å; G206-Q209 PolarHBondContact O-N 2.85Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3Å
210	H	93.8	Very high	93.2	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.162	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-50.2	178.9	-173.4	72.6	0	0	0	111.1	L112 T115 V116 P117 G206 L207 K212 S213	L112-H210 PolarHBondContact O-CD2 3.11Å; L112-H210 PolarHBondContact O-NE2 3.11Å; T115-H210 PolarHBondContact O-CE1 3.01Å; T115-H210 VanDerWaalsContact O-CE1 3.31Å; T115-H210 PolarHBondContact OG1-NE2 3.35Å; V116-H210 HydrophobicContact CG2-CB 3.95Å; V116-H210 VanDerWaalsContact CG2-CD2 3.42Å; V116-H210 WeakPolarHBondContact CG2-CD2 3.45Å; P117-H210 VanDerWaalsContact CD-ND1 3.28Å; P117-H210 WeakPolarHBondContact CD-ND1 3.32Å; G206-H210 PolarHBondContact O-N 3.16Å; G206-H210 VanDerWaalsContact O-N 3.12Å; L207-H210 PolarHBondContact O-N 2.96Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 3.4Å; H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 2.76Å; H210-S213 PolarHBondContact O-OG 2.67Å
211	L	94.1	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-36.6	179.7	-67.6	172.6	0	0	0	112.7	L112 L113 L207 S213 S214 V217 L220 L234 L236	L112-L211 HydrophobicContact CB-CD2 3.71Å; L112-L211 HydrophobicContact CD1-CD2 4.19Å; L113-L211 HydrophobicContact CD2-CD1 4.14Å; L207-L211 WeakPolarHBondContact O-CB 3.42Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.21Å; L211-S213 PolarHBondContact O-N 2.82Å; L211-S213 VanDerWaalsContact O-N 3.12Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.13Å; L211-V217 HydrophobicContact CB-CG2 4.45Å; L211-V217 HydrophobicContact CD2-CG2 4.22Å; L211-L220 HydrophobicContact CB-CD2 4.14Å; L211-L234 HydrophobicContact CD1-CD2 3.89Å; L211-L236 HydrophobicContact CD1-CD1 4.12Å; L211-L236 HydrophobicContact CD1-CD2 3.96Å
212	K	91.6	Very high	93.3	Very high	72 Å²	72	34.1 Å²	34.1	31%	0.313	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	175.4	-172.4	168.4	177.3	172.8	0	114	A133 V134 A208 H210 L220 V534 E535	A133-K212 PolarHBondContact O-NZ 2.93Å; V134-K212 HydrophobicContact CG2-CD 3.94Å; A208-K212 WeakPolarHBondContact O-CB 3.43Å; A208-K212 PolarHBondContact O-N 2.87Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 3.4Å; K212-L220 HydrophobicContact CB-CD1 3.79Å; K212-L220 HydrophobicContact CG-CD1 4.27Å; K212-V534 HydrophobicContact CD-CG2 4.43Å; K212-E535 VanDerWaalsContact NZ-CD 3.34Å; K212-E535 IonicContact NZ-OE1 2.71Å; K212-E535 PolarHBondContact NZ-OE1 3.11Å
213	S	88.3	Confident	93.4	Very high	97 Å²	97	34 Å²	34	68%	0.678	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-13.5	177.2	75.4	0	0	0	0	114.2	H210 L211	H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 2.76Å; H210-S213 PolarHBondContact O-OG 2.67Å; L211-S213 PolarHBondContact O-N 2.82Å; L211-S213 VanDerWaalsContact O-N 3.12Å
214	S	90.3	Very high	93.2	Very high	23 Å²	23	34.1 Å²	34.1	16%	0.161	19%	0.192	C	C	.	.			trans	-93.9	143.3	176.5	167.8	0	0	0	0	111.6	L211 D216	L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 VanDerWaalsContact O-N 3.13Å; S214-D216 VanDerWaalsContact C-N 3.26Å; S214-D216 WeakPolarHBondContact OG-CB 3.4Å; S214-D216 VanDerWaalsContact OG-CG 3.31Å; S214-D216 PolarHBondContact OG-N 3.5Å; S214-D216 PolarHBondContact OG-OD2 2.96Å
215	S	89.7	Confident	92.8	Very high	102 Å²	102	36 Å²	36	71%	0.713	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.6	169.4	48.6	0	0	0	0	114.1	V217	S215-V217 VanDerWaalsContact C-N 3.3Å
216	D	89.4	Confident	92.2	Very high	79 Å²	79	39.3 Å²	39.3	42%	0.422	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.1	-171.6	-43.6	-50.4	0	0	0	112	F105 T108 S214 P239	F105-D216 WeakPolarHBondContact CE2-O 3.17Å; T108-D216 HydrophobicContact CG2-CB 3.93Å; S214-D216 VanDerWaalsContact C-N 3.26Å; S214-D216 WeakPolarHBondContact OG-CB 3.4Å; S214-D216 VanDerWaalsContact OG-CG 3.31Å; S214-D216 PolarHBondContact OG-N 3.5Å; S214-D216 PolarHBondContact OG-OD2 2.96Å; D216-P239 VanDerWaalsContact O-CD 3.27Å; D216-P239 WeakPolarHBondContact O-CD 3.27Å; D216-P239 WeakPolarHBondContact O-CG 3.44Å
217	V	91	Very high	91.5	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.073	22%	0.218	C	C	.	.			trans	-106.5	138.1	171.7	-177.2	0	0	0	0	108.8	L112 L211 S215 L220 L236	L112-V217 HydrophobicContact CD1-CG2 3.84Å; L211-V217 HydrophobicContact CB-CG2 4.45Å; L211-V217 HydrophobicContact CD2-CG2 4.22Å; S215-V217 VanDerWaalsContact C-N 3.3Å; V217-L220 HydrophobicContact CG1-CD1 4.26Å; V217-L220 HydrophobicContact CG1-CD2 4.35Å; V217-L220 HydrophobicContact CG1-CG 4.09Å; V217-L236 HydrophobicContact CG1-CD2 4.19Å
218	G	91.1	Very high	91.1	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	23%	0.225	S	C	.	.			trans	-83.8	-133.3	174.8	0	0	0	0	0	112.4	S237	G218-S237 WeakPolarHBondContact CA-O 3.49Å; G218-S237 PolarHBondContact N-O 2.99Å
219	E	91.9	Very high	90.7	Very high	100 Å²	100	41.9 Å²	41.9	47%	0.467	23%	0.229	S	C	.	.			trans	-67.8	138.3	179.7	-158.2	-174.4	155.6	0	0	111.9	R221 S237	E219-R221 VanDerWaalsContact CD-NE 3.33Å; E219-R221 VanDerWaalsContact CD-NH2 3.3Å; E219-R221 HydrophobicContact CG-CG 4.44Å; E219-R221 IonicContact OE1-CZ 3.95Å; E219-R221 IonicContact OE1-NE 3.59Å; E219-R221 PolarHBondContact OE1-NE 3Å; E219-R221 IonicContact OE1-NH2 2.96Å; E219-R221 PolarHBondContact OE1-NH2 3.42Å; E219-R221 IonicContact OE2-CZ 2.74Å; E219-R221 IonicContact OE2-NE 3.08Å; E219-R221 IonicContact OE2-NH2 3.76Å; E219-R221 PolarHBondContact OE2-NH2 2.8Å; E219-S237 PolarHBondContact O-N 3.37Å
220	L	94.8	Very high	90.4	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.4	178.2	-79.8	143.6	0	0	0	109.5	L211 K212 V217 L234 L236 V534	L211-L220 HydrophobicContact CB-CD2 4.14Å; K212-L220 HydrophobicContact CB-CD1 3.79Å; K212-L220 HydrophobicContact CG-CD1 4.27Å; V217-L220 HydrophobicContact CG1-CD1 4.26Å; V217-L220 HydrophobicContact CG1-CD2 4.35Å; V217-L220 HydrophobicContact CG1-CG 4.09Å; L220-L234 HydrophobicContact CD2-CD1 3.91Å; L220-L234 HydrophobicContact CD2-CD2 4.14Å; L220-L234 HydrophobicContact CD2-CG 4.26Å; L220-L236 HydrophobicContact CD2-CD2 3.35Å; L220-L236 HydrophobicContact CG-CD2 4.26Å; L220-V534 HydrophobicContact CB-CG1 4.02Å; L220-V534 HydrophobicContact CB-CG2 3.93Å
221	R	96.4	Very high	90.3	Very high	85 Å²	85	38.8 Å²	38.8	32%	0.321	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.3	174.9	-59	-177.1	-167.9	148.6	11.8	111.1	E219 L235 E531 W532	E219-R221 VanDerWaalsContact CD-NE 3.33Å; E219-R221 VanDerWaalsContact CD-NH2 3.3Å; E219-R221 HydrophobicContact CG-CG 4.44Å; E219-R221 IonicContact OE1-CZ 3.95Å; E219-R221 IonicContact OE1-NE 3.59Å; E219-R221 PolarHBondContact OE1-NE 3Å; E219-R221 IonicContact OE1-NH2 2.96Å; E219-R221 PolarHBondContact OE1-NH2 3.42Å; E219-R221 IonicContact OE2-CZ 2.74Å; E219-R221 IonicContact OE2-NE 3.08Å; E219-R221 IonicContact OE2-NH2 3.76Å; E219-R221 PolarHBondContact OE2-NH2 2.8Å; R221-L235 HydrophobicContact CB-CB 4.32Å; R221-L235 PolarHBondContact N-O 3.24Å; R221-L235 VanDerWaalsContact N-O 3.07Å; R221-L235 PolarHBondContact O-N 2.98Å; R221-E531 WeakPolarHBondContact CD-OE2 3.39Å; R221-E531 IonicContact CZ-OE2 2.79Å; R221-E531 IonicContact NE-OE2 2.76Å; R221-E531 IonicContact NH1-OE2 3.65Å; R221-E531 PolarHBondContact NH1-OE2 3.28Å; R221-W532 CarbonylContact C-O 3.27Å; R221-W532 VanDerWaalsContact CA-O 3.32Å; R221-W532 WeakPolarHBondContact CA-O 3.5Å; R221-W532 WeakPolarHBondContact CB-O 3.48Å
222	Y	96.8	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.3	161.7	-64.6	-55.8	0	0	0	111	V134 K135 P137 L204 A205 A208 V233 L234 E531 W532 V534	V134-Y222 VanDerWaalsContact CG1-OH 3.31Å; V134-Y222 WeakPolarHBondContact CG1-OH 3.46Å; K135-Y222 WeakPolarHBondContact O-CE2 3.36Å; K135-Y222 PolarHBondContact O-OH 3.28Å; P137-Y222 HydrophobicContact CB-CD1 3.82Å; P137-Y222 HydrophobicContact CB-CD2 3.71Å; P137-Y222 HydrophobicContact CB-CE1 4.07Å; P137-Y222 HydrophobicContact CB-CE2 3.92Å; P137-Y222 HydrophobicContact CB-CG 3.62Å; P137-Y222 HydrophobicContact CG-CD1 3.85Å; P137-Y222 HydrophobicContact CG-CD2 4.33Å; P137-Y222 HydrophobicContact CG-CE1 3.68Å; P137-Y222 HydrophobicContact CG-CE2 4.14Å; P137-Y222 HydrophobicContact CG-CG 4.17Å; L204-Y222 HydrophobicContact CD2-CD1 4.18Å; L204-Y222 HydrophobicContact CD2-CE1 4.23Å; L204-Y222 HydrophobicContact CG-CE1 4.23Å; A205-Y222 WeakPolarHBondContact CA-OH 3.2Å; A208-Y222 HydrophobicContact CB-CE1 4.11Å; Y222-V233 WeakPolarHBondContact CA-O 3.2Å; Y222-L234 HydrophobicContact CD1-CD1 3.94Å; Y222-L234 HydrophobicContact CE1-CD1 3.89Å; Y222-E531 WeakPolarHBondContact O-CA 3.4Å; Y222-W532 HydrophobicContact CD2-CZ2 4.42Å; Y222-W532 AromaticContact CD2-NE1 3.65Å; Y222-W532 HydrophobicContact CG-CZ2 4.33Å; Y222-W532 PolarHBondContact N-O 3Å; Y222-W532 PolarHBondContact O-N 3.11Å; Y222-V534 HydrophobicContact CD1-CG1 4.07Å; Y222-V534 HydrophobicContact CD2-CB 4.14Å; Y222-V534 HydrophobicContact CD2-CG1 3.87Å; Y222-V534 HydrophobicContact CE1-CG1 3.92Å; Y222-V534 VanDerWaalsContact CE2-CA 3.5Å; Y222-V534 HydrophobicContact CE2-CB 3.73Å; Y222-V534 HydrophobicContact CE2-CG1 3.75Å; Y222-V534 HydrophobicContact CG-CG1 4.05Å
223	S	95.1	Very high	90.5	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-174.1	163.9	-165.8	0	0	0	0	111.3	P232 V233 P530	S223-P232 CarbonylContact O-C 3.6Å; S223-P232 WeakPolarHBondContact O-CA 3.37Å; S223-V233 PolarHBondContact N-O 3.08Å; S223-V233 PolarHBondContact O-N 2.68Å; S223-P530 WeakPolarHBondContact CA-O 3.28Å; S223-P530 WeakPolarHBondContact CB-O 3.02Å; S223-P530 PolarHBondContact OG-O 3.04Å
224	C	91.1	Very high	90.9	Very high	4 Å²	4	31 Å²	31	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126	176.6	-66.7	0	0	0	0	109.7	H226 G227 D529 P530	C224-H226 PolarHBondContact O-N 2.9Å; C224-G227 PolarHBondContact O-N 3.32Å; C224-D529 VanDerWaalsContact O-CG 3.26Å; C224-P530 HydrophobicContact CB-CG 4.39Å
225	L	88.7	Confident	91.2	Very high	39 Å²	39	30.3 Å²	30.3	20%	0.204	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63.4	117.8	179.3	-178.4	60.4	0	0	0	111	G227 N228 K231 V233	L225-G227 PolarHBondContact O-N 2.97Å; L225-N228 WeakPolarHBondContact O-CB 3.46Å; L225-N228 PolarHBondContact O-N 2.87Å; L225-K231 HydrophobicContact CB-CB 4.08Å; L225-K231 PolarHBondContact N-O 3.44Å; L225-V233 HydrophobicContact CB-CG1 4.2Å
226	H	82.9	Confident	91.5	Very high	69 Å²	69	25.4 Å²	25.4	32%	0.319	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	53.9	38.1	-177.2	-44.2	141.6	0	0	0	112.8	C224 N228 A341 N345 D529	C224-H226 PolarHBondContact O-N 2.9Å; H226-N228 PolarHBondContact O-N 3.22Å; H226-A341 WeakPolarHBondContact O-CA 3.39Å; H226-A341 WeakPolarHBondContact O-CB 3.39Å; H226-N345 PolarHBondContact CE1-ND2 2.72Å; H226-N345 VanDerWaalsContact CE1-ND2 3.29Å; H226-N345 PolarHBondContact NE2-ND2 3.35Å; H226-D529 VanDerWaalsContact C-OD1 3.29Å; H226-D529 VanDerWaalsContact CA-OD1 3.27Å; H226-D529 WeakPolarHBondContact CA-OD1 3.46Å; H226-D529 PolarHBondContact N-OD1 3.03Å
227	G	79.9	Confident	91.7	Very high	7 Å²	7	22.4 Å²	22.4	7%	0.072	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	67.2	-3.1	-175.5	0	0	0	0	0	115.3	C224 L225 R229 D529	C224-G227 PolarHBondContact O-N 3.32Å; L225-G227 PolarHBondContact O-N 2.97Å; G227-R229 PolarHBondContact O-N 2.94Å; G227-D529 PolarHBondContact N-OD1 3.36Å
228	N	86.5	Confident	91.7	Very high	26 Å²	26	22.2 Å²	22.2	14%	0.139	11%	0.114	C	C	.	.			trans	-75.5	111.1	-175.9	-173.2	-26.9	0	0	0	110.8	L225 H226 L230 K231 S297	L225-N228 WeakPolarHBondContact O-CB 3.46Å; L225-N228 PolarHBondContact O-N 2.87Å; H226-N228 PolarHBondContact O-N 3.22Å; N228-L230 PolarHBondContact O-N 3.01Å; N228-L230 WeakPolarHBondContact OD1-CB 3.27Å; N228-L230 PolarHBondContact OD1-N 3.29Å; N228-K231 HydrophobicContact CB-CB 4.49Å; N228-K231 HydrophobicContact CB-CG 4.32Å; N228-K231 CarbonylContact O-C 3.59Å; N228-K231 WeakPolarHBondContact O-CA 3.34Å; N228-K231 PolarHBondContact O-N 3.19Å; N228-S297 PolarHBondContact ND2-OG 3.49Å
229	R	86.2	Confident	91.6	Very high	25 Å²	25	23.7 Å²	23.7	9%	0.094	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.1	-173.4	-51.6	-166.9	-177.3	-160.4	-12.9	114.6	G227 P539 K540 Y541	G227-R229 PolarHBondContact O-N 2.94Å; R229-P539 PolarHBondContact NH1-O 3.4Å; R229-K540 VanDerWaalsContact NH1-C 3.32Å; R229-Y541 VanDerWaalsContact CD-CE1 3.4Å; R229-Y541 HydrophobicContact CG-CE1 4.29Å; R229-Y541 VanDerWaalsContact CZ-CD1 3.43Å
230	L	89.1	Confident	91.3	Very high	13 Å²	13	22 Å²	22	7%	0.068	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.9	165.2	-58.4	176.7	0	0	0	111.8	F138 Q194 P197 N228 P232 Y294	F138-L230 HydrophobicContact CE2-CD2 4.05Å; F138-L230 HydrophobicContact CZ-CD2 3.81Å; Q194-L230 HydrophobicContact CG-CD2 4.38Å; P197-L230 HydrophobicContact CB-CB 4.21Å; P197-L230 HydrophobicContact CB-CD2 4.13Å; P197-L230 HydrophobicContact CG-CB 4.34Å; P197-L230 HydrophobicContact CG-CD2 4.39Å; N228-L230 PolarHBondContact O-N 3.01Å; N228-L230 WeakPolarHBondContact OD1-CB 3.27Å; N228-L230 PolarHBondContact OD1-N 3.29Å; L230-P232 WeakPolarHBondContact O-CD 3.46Å; L230-Y294 HydrophobicContact CD1-CD2 3.69Å; L230-Y294 HydrophobicContact CD1-CE2 4.32Å
231	K	91.1	Very high	90.4	Very high	15 Å²	15	31 Å²	31	7%	0.065	17%	0.167	C	C	.	.	S	Bend	trans	-120.4	57.2	-174.8	-49.6	-162.3	68.7	148.8	0	112.4	L225 N228 S297 G300 D301	L225-K231 HydrophobicContact CB-CB 4.08Å; L225-K231 PolarHBondContact N-O 3.44Å; N228-K231 HydrophobicContact CB-CB 4.49Å; N228-K231 HydrophobicContact CB-CG 4.32Å; N228-K231 CarbonylContact O-C 3.59Å; N228-K231 WeakPolarHBondContact O-CA 3.34Å; N228-K231 PolarHBondContact O-N 3.19Å; K231-S297 WeakPolarHBondContact CD-OG 3.42Å; K231-S297 WeakPolarHBondContact CG-OG 3.13Å; K231-S297 PolarHBondContact NZ-O 3.41Å; K231-G300 VanDerWaalsContact NZ-C 3.31Å; K231-G300 PolarHBondContact NZ-O 3.34Å; K231-D301 WeakPolarHBondContact CE-OD1 2.87Å; K231-D301 IonicContact NZ-OD1 3.16Å; K231-D301 PolarHBondContact NZ-OD1 3.49Å
232	P	94.5	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	148.3	173.9	27.4	-35	0	0	0	111.3	P137 R200 A201 L204 S223 L230	P137-P232 HydrophobicContact CB-CB 3.82Å; P137-P232 HydrophobicContact CB-CG 4.43Å; P137-P232 HydrophobicContact CG-CB 3.92Å; P137-P232 HydrophobicContact CG-CG 4.14Å; R200-P232 PolarHBondContact NH1-O 3.29Å; A201-P232 HydrophobicContact CB-CG 3.96Å; L204-P232 HydrophobicContact CD2-CB 3.95Å; L204-P232 HydrophobicContact CD2-CG 4.22Å; L204-P232 WeakPolarHBondContact CD2-O 3.37Å; S223-P232 CarbonylContact O-C 3.6Å; S223-P232 WeakPolarHBondContact O-CA 3.37Å; L230-P232 WeakPolarHBondContact O-CD 3.46Å
233	V	96.1	Very high	88.4	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.9	177.4	-66.6	0	0	0	0	109.6	Y222 S223 L225 L235	Y222-V233 WeakPolarHBondContact CA-O 3.2Å; S223-V233 PolarHBondContact N-O 3.08Å; S223-V233 PolarHBondContact O-N 2.68Å; L225-V233 HydrophobicContact CB-CG1 4.2Å; V233-L235 HydrophobicContact CG2-CD2 4.31Å
234	L	97.3	Very high	87.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.9	177.5	179.9	67.6	0	0	0	108.8	L204 A208 L211 L220 Y222 L236 V250 V534	L204-L234 HydrophobicContact CD1-CB 3.64Å; L204-L234 HydrophobicContact CD2-CB 4.47Å; L204-L234 HydrophobicContact CG-CB 4.08Å; A208-L234 HydrophobicContact CB-CD1 3.85Å; A208-L234 HydrophobicContact CB-CD2 3.92Å; L211-L234 HydrophobicContact CD1-CD2 3.89Å; L220-L234 HydrophobicContact CD2-CD1 3.91Å; L220-L234 HydrophobicContact CD2-CD2 4.14Å; L220-L234 HydrophobicContact CD2-CG 4.26Å; Y222-L234 HydrophobicContact CD1-CD1 3.94Å; Y222-L234 HydrophobicContact CE1-CD1 3.89Å; L234-L236 HydrophobicContact CD2-CD2 3.95Å; L234-L236 HydrophobicContact CG-CD2 3.84Å; L234-V250 HydrophobicContact CB-CB 4.33Å; L234-V250 PolarHBondContact N-O 2.61Å; L234-V250 PolarHBondContact O-N 3.25Å; L234-V534 HydrophobicContact CD1-CG1 3.7Å
235	L	96.6	Very high	87.4	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.2	176.9	-56.8	-177.8	0	0	0	109.3	R221 V233 T247 C249 E531	R221-L235 HydrophobicContact CB-CB 4.32Å; R221-L235 PolarHBondContact N-O 3.24Å; R221-L235 VanDerWaalsContact N-O 3.07Å; R221-L235 PolarHBondContact O-N 2.98Å; V233-L235 HydrophobicContact CG2-CD2 4.31Å; L235-T247 HydrophobicContact CB-CG2 3.88Å; L235-T247 HydrophobicContact CD2-CG2 4.15Å; L235-T247 HydrophobicContact CG-CG2 4.47Å; L235-C249 HydrophobicContact CD2-CB 4.04Å; L235-E531 HydrophobicContact CD1-CG 3.86Å; L235-E531 WeakPolarHBondContact CD1-OE1 3.45Å
236	L	95.5	Very high	87.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	-179.7	-49.1	178.4	0	0	0	109.4	F105 V109 L211 V217 L220 L234 V248 V250	F105-L236 HydrophobicContact CE1-CB 4.27Å; F105-L236 HydrophobicContact CZ-CB 4.33Å; V109-L236 HydrophobicContact CB-CD1 4.39Å; V109-L236 HydrophobicContact CG1-CD1 3.56Å; V109-L236 HydrophobicContact CG2-CD1 3.83Å; L211-L236 HydrophobicContact CD1-CD1 4.12Å; L211-L236 HydrophobicContact CD1-CD2 3.96Å; V217-L236 HydrophobicContact CG1-CD2 4.19Å; L220-L236 HydrophobicContact CD2-CD2 3.35Å; L220-L236 HydrophobicContact CG-CD2 4.26Å; L234-L236 HydrophobicContact CD2-CD2 3.95Å; L234-L236 HydrophobicContact CG-CD2 3.84Å; L236-V248 HydrophobicContact CB-CB 4.27Å; L236-V248 HydrophobicContact CD1-CG1 4.44Å; L236-V248 PolarHBondContact N-O 3.29Å; L236-V248 PolarHBondContact O-N 2.78Å; L236-V250 HydrophobicContact CD1-CG2 3.74Å; L236-V250 HydrophobicContact CG-CG2 4.29Å
237	S	93.3	Very high	88.2	Confident	15 Å²	15	35.6 Å²	35.6	11%	0.105	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-92.9	149.5	162.9	-84.7	0	0	0	0	110.8	F105 G218 E219 S243	F105-S237 WeakPolarHBondContact CZ-O 3.39Å; G218-S237 WeakPolarHBondContact CA-O 3.49Å; G218-S237 PolarHBondContact N-O 2.99Å; E219-S237 PolarHBondContact O-N 3.37Å; S237-S243 VanDerWaalsContact CB-O 3.25Å; S237-S243 WeakPolarHBondContact CB-O 3.36Å; S237-S243 PolarHBondContact OG-O 2.94Å
238	P	91.6	Very high	88.9	Confident	8 Å²	8	35.2 Å²	35.2	5%	0.052	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.8	157	168	31.3	-36.4	0	0	0	111.2	F105 D242 S243 F246	F105-P238 HydrophobicContact CD1-CB 4.39Å; F105-P238 HydrophobicContact CD2-CB 4.07Å; F105-P238 HydrophobicContact CE1-CB 4.41Å; F105-P238 HydrophobicContact CE2-CB 4.12Å; F105-P238 HydrophobicContact CG-CB 4.21Å; F105-P238 HydrophobicContact CZ-CB 4.29Å; P238-D242 HydrophobicContact CG-CB 4.18Å; P238-D242 VanDerWaalsContact CG-O 3.27Å; P238-D242 WeakPolarHBondContact CG-O 3.25Å; P238-S243 VanDerWaalsContact O-CA 3.24Å; P238-S243 WeakPolarHBondContact O-CA 3.18Å; P238-S243 WeakPolarHBondContact O-CB 3.13Å; P238-F246 HydrophobicContact CB-CE1 4.48Å; P238-F246 HydrophobicContact CB-CZ 4.38Å; P238-F246 WeakPolarHBondContact CD-O 3.36Å; P238-F246 HydrophobicContact CG-CD1 4.41Å; P238-F246 HydrophobicContact CG-CE1 3.91Å; P238-F246 HydrophobicContact CG-CZ 4.16Å
239	P	88.9	Confident	89.4	Confident	56 Å²	56	34.4 Å²	34.4	36%	0.364	21%	0.208	S	C	.	.	S	Bend	trans	-74.9	160.3	-177.8	30.6	-36.3	0	0	0	113	D216	D216-P239 VanDerWaalsContact O-CD 3.27Å; D216-P239 WeakPolarHBondContact O-CD 3.27Å; D216-P239 WeakPolarHBondContact O-CG 3.44Å
240	G	84.6	Confident	89.9	Confident	64 Å²	64	33.2 Å²	33.2	66%	0.66	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	69.7	-137.7	171.3	0	0	0	0	0	114.6	D242 S243	G240-D242 VanDerWaalsContact C-N 3.31Å; G240-D242 PolarHBondContact O-N 3.34Å; G240-S243 WeakPolarHBondContact O-CB 3.41Å; G240-S243 PolarHBondContact O-N 2.9Å; G240-S243 PolarHBondContact O-OG 2.92Å
241	K	75.5	Confident	90.2	Very high	210 Å²	210	33.2 Å²	33.2	91%	0.913	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-73	-17.6	-170.7	-69.7	-174.6	177.5	-178.7	0	114.6
242	D	75	Confident	90.4	Very high	56 Å²	56	32.5 Å²	32.5	30%	0.299	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-91.1	3.6	-179.8	-87.5	-91.9	0	0	0	113.1	R98 Q101 P238 G240 S244 S245	R98-D242 IonicContact CZ-OD1 2.78Å; R98-D242 VanDerWaalsContact CZ-OD1 3.29Å; R98-D242 IonicContact NH1-OD1 2.68Å; R98-D242 PolarHBondContact NH1-OD1 3.24Å; R98-D242 IonicContact NH2-OD1 2.53Å; R98-D242 PolarHBondContact NH2-OD1 3.42Å; Q101-D242 PolarHBondContact OE1-OD1 3.09Å; P238-D242 HydrophobicContact CG-CB 4.18Å; P238-D242 VanDerWaalsContact CG-O 3.27Å; P238-D242 WeakPolarHBondContact CG-O 3.25Å; G240-D242 VanDerWaalsContact C-N 3.31Å; G240-D242 PolarHBondContact O-N 3.34Å; D242-S244 PolarHBondContact O-N 3.31Å; D242-S245 WeakPolarHBondContact O-CB 3.16Å; D242-S245 PolarHBondContact O-N 3.02Å; D242-S245 PolarHBondContact O-OG 3.3Å; D242-S245 PolarHBondContact OD1-OG 2.85Å
243	S	78	Confident	90.5	Very high	52 Å²	52	32.8 Å²	32.8	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.5	-171.2	61	0	0	0	0	116	S237 P238 G240	S237-S243 VanDerWaalsContact CB-O 3.25Å; S237-S243 WeakPolarHBondContact CB-O 3.36Å; S237-S243 PolarHBondContact OG-O 2.94Å; P238-S243 VanDerWaalsContact O-CA 3.24Å; P238-S243 WeakPolarHBondContact O-CA 3.18Å; P238-S243 WeakPolarHBondContact O-CB 3.13Å; G240-S243 WeakPolarHBondContact O-CB 3.41Å; G240-S243 PolarHBondContact O-N 2.9Å; G240-S243 PolarHBondContact O-OG 2.92Å
244	S	80.1	Confident	90.4	Very high	117 Å²	117	32.8 Å²	32.8	82%	0.818	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	9.5	175.9	70.4	0	0	0	0	114.3	D242	D242-S244 PolarHBondContact O-N 3.31Å
245	S	84.7	Confident	90.2	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	21%	0.209	C	C	.	.	S	Bend	trans	-91.5	-26.3	-168.4	69.6	0	0	0	0	115.3	R98 D242	R98-S245 PolarHBondContact NH1-OG 3.21Å; R98-S245 PolarHBondContact NH2-OG 2.76Å; D242-S245 WeakPolarHBondContact O-CB 3.16Å; D242-S245 PolarHBondContact O-N 3.02Å; D242-S245 PolarHBondContact O-OG 3.3Å; D242-S245 PolarHBondContact OD1-OG 2.85Å
246	F	92.1	Very high	89.8	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.026	24%	0.236	C	C	.	.			trans	-166.4	166.7	170.2	64.3	-79.9	0	0	0	109.1	I102 F105 I173 P238 V248	I102-F246 HydrophobicContact CB-CE2 4.22Å; I102-F246 HydrophobicContact CB-CZ 4.44Å; I102-F246 HydrophobicContact CD1-CG 4.49Å; I102-F246 HydrophobicContact CG1-CD1 4.01Å; I102-F246 HydrophobicContact CG1-CD2 3.69Å; I102-F246 HydrophobicContact CG1-CE1 4.12Å; I102-F246 HydrophobicContact CG1-CE2 3.75Å; I102-F246 HydrophobicContact CG1-CG 3.82Å; I102-F246 HydrophobicContact CG1-CZ 3.98Å; I102-F246 HydrophobicContact CG2-CE2 4.44Å; F105-F246 HydrophobicContact CB-CE2 4.3Å; F105-F246 HydrophobicContact CB-CZ 3.85Å; F105-F246 AromaticContact CD1-CE2 3.72Å; F105-F246 HydrophobicContact CD1-CE2 3.72Å; F105-F246 AromaticContact CD1-CZ 3.91Å; F105-F246 HydrophobicContact CD1-CZ 3.91Å; F105-F246 HydrophobicContact CG-CE2 4.39Å; F105-F246 HydrophobicContact CG-CZ 4.15Å; I173-F246 HydrophobicContact CB-CB 3.88Å; I173-F246 HydrophobicContact CG2-CB 3.77Å; I173-F246 WeakPolarHBondContact O-CA 3.43Å; P238-F246 HydrophobicContact CB-CE1 4.48Å; P238-F246 HydrophobicContact CB-CZ 4.38Å; P238-F246 WeakPolarHBondContact CD-O 3.36Å; P238-F246 HydrophobicContact CG-CD1 4.41Å; P238-F246 HydrophobicContact CG-CE1 3.91Å; P238-F246 HydrophobicContact CG-CZ 4.16Å; F246-V248 HydrophobicContact CD2-CG2 4.19Å; F246-V248 HydrophobicContact CE2-CG2 3.89Å
247	T	94.8	Very high	89.4	Confident	36 Å²	36	41.1 Å²	41.1	22%	0.221	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.7	177.2	-53.2	0	0	0	0	110.3	I173 K174 V175 L235	I173-T247 PolarHBondContact O-N 3.12Å; K174-T247 WeakPolarHBondContact CA-O 3.5Å; V175-T247 PolarHBondContact N-O 3.34Å; L235-T247 HydrophobicContact CB-CG2 3.88Å; L235-T247 HydrophobicContact CD2-CG2 4.15Å; L235-T247 HydrophobicContact CG-CG2 4.47Å
248	V	96	Very high	89.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.5	169.8	177.5	0	0	0	0	108.9	F105 V106 V175 L177 L236 F246	F105-V248 HydrophobicContact CD1-CG2 3.69Å; F105-V248 HydrophobicContact CE1-CB 4.26Å; F105-V248 HydrophobicContact CE1-CG2 3.83Å; V106-V248 HydrophobicContact CG2-CG2 4.12Å; V175-V248 HydrophobicContact CB-CG2 4.41Å; V175-V248 CarbonylContact O-C 3.45Å; V175-V248 WeakPolarHBondContact O-CA 3.33Å; L177-V248 HydrophobicContact CD1-CG1 3.51Å; L177-V248 HydrophobicContact CG-CG1 3.9Å; L236-V248 HydrophobicContact CB-CB 4.27Å; L236-V248 HydrophobicContact CD1-CG1 4.44Å; L236-V248 PolarHBondContact N-O 3.29Å; L236-V248 PolarHBondContact O-N 2.78Å; F246-V248 HydrophobicContact CD2-CG2 4.19Å; F246-V248 HydrophobicContact CE2-CG2 3.89Å
249	C	96.3	Very high	89.5	Confident	8 Å²	8	42.5 Å²	42.5	5%	0.054	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.9	-177.5	-173.4	0	0	0	0	109.3	V175 L177 L235 H251	V175-C249 PolarHBondContact O-N 2.78Å; L177-C249 PolarHBondContact N-O 2.91Å; L235-C249 HydrophobicContact CD2-CB 4.04Å; C249-H251 PolarHBondContact O-CD2 3.39Å; C249-H251 PolarHBondContact SG-NE2 3.13Å
250	V	97.1	Very high	89.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.1	177.4	-175.8	0	0	0	0	109.6	A179 L207 L234 L236	A179-V250 HydrophobicContact CB-CG1 4.09Å; L207-V250 HydrophobicContact CD1-CG1 4.36Å; L234-V250 HydrophobicContact CB-CB 4.33Å; L234-V250 PolarHBondContact N-O 2.61Å; L234-V250 PolarHBondContact O-N 3.25Å; L236-V250 HydrophobicContact CD1-CG2 3.74Å; L236-V250 HydrophobicContact CG-CG2 4.29Å
251	H	95.7	Very high	90	Very high	14 Å²	14	46 Å²	46	7%	0.065	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.5	169.2	-57.3	-95.7	0	0	0	109	D176 L177 A179 C249	D176-H251 IonicContact OD1-CD2 2.74Å; D176-H251 IonicContact OD1-CE1 3.57Å; D176-H251 IonicContact OD1-NE2 3.92Å; D176-H251 PolarHBondContact OD1-NE2 3.37Å; L177-H251 PolarHBondContact O-N 3.14Å; A179-H251 PolarHBondContact N-O 3.38Å; C249-H251 PolarHBondContact O-CD2 3.39Å; C249-H251 PolarHBondContact SG-NE2 3.13Å
252	V	95.4	Very high	90.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.8	173.9	170.6	0	0	0	0	108.5	A179 I181 Y196 R200 Y203 L204 L207	A179-V252 WeakPolarHBondContact O-CA 3.47Å; I181-V252 HydrophobicContact CD1-CG1 3.58Å; I181-V252 HydrophobicContact CG1-CG1 3.33Å; Y196-V252 PolarHBondContact OH-O 3.12Å; R200-V252 HydrophobicContact CG-CB 4.07Å; R200-V252 HydrophobicContact CG-CG1 3.87Å; R200-V252 PolarHBondContact NE-O 3.03Å; R200-V252 PolarHBondContact NH2-O 2.68Å; Y203-V252 HydrophobicContact CD1-CG1 3.65Å; Y203-V252 HydrophobicContact CD1-CG2 4.03Å; Y203-V252 HydrophobicContact CE1-CG1 4.43Å; Y203-V252 HydrophobicContact CG-CG1 4.36Å; L204-V252 HydrophobicContact CB-CG2 4.26Å; L204-V252 HydrophobicContact CD1-CG2 3.55Å; L207-V252 HydrophobicContact CD1-CG2 3.87Å
253	C	95.1	Very high	91.5	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	154.3	-173.2	-67.8	0	0	0	0	111.3	A179 T180 I181	A179-C253 PolarHBondContact O-N 3.05Å; T180-C253 CarbonylContact C-O 3.39Å; T180-C253 WeakPolarHBondContact CA-O 3.32Å; I181-C253 WeakPolarHBondContact CG1-O 3.37Å; I181-C253 PolarHBondContact N-O 2.81Å
254	P	95.3	Very high	92.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.032	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-74.3	170.5	171.2	36.6	-36.6	0	0	0	110.7	L186 Y196 L302	L186-P254 HydrophobicContact CD1-CB 3.81Å; Y196-P254 HydrophobicContact CE2-CB 4.13Å; Y196-P254 HydrophobicContact CE2-CG 4.47Å; Y196-P254 WeakPolarHBondContact OH-CD 3.35Å; P254-L302 HydrophobicContact CB-CD2 4.48Å; P254-L302 HydrophobicContact CG-CD2 3.55Å; P254-L302 HydrophobicContact CG-CG 4.12Å
255	P	93.1	Very high	92.9	Very high	22 Å²	22	33.9 Å²	33.9	14%	0.143	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-60.2	142.9	167.9	-19.8	30.8	0	0	0	111.5	T180 I181 A183 G257 F258	T180-P255 HydrophobicContact CG2-CB 4.35Å; T180-P255 HydrophobicContact CG2-CG 4.31Å; I181-P255 WeakPolarHBondContact O-CD 3.43Å; I181-P255 WeakPolarHBondContact O-CG 3.21Å; A183-P255 HydrophobicContact CB-CG 4.02Å; P255-G257 PolarHBondContact O-N 3.18Å; P255-F258 HydrophobicContact CB-CB 4.17Å; P255-F258 HydrophobicContact CG-CB 4.35Å; P255-F258 HydrophobicContact CG-CD2 4.09Å; P255-F258 HydrophobicContact CG-CG 4.44Å; P255-F258 VanDerWaalsContact O-CB 3.23Å; P255-F258 WeakPolarHBondContact O-CB 3.44Å; P255-F258 PolarHBondContact O-N 2.6Å; P255-F258 VanDerWaalsContact O-N 3.11Å
256	P	88	Confident	93.3	Very high	93 Å²	93	32.9 Å²	32.9	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	131.2	173.6	-27.9	35.8	0	0	0	112	F258	P256-F258 VanDerWaalsContact C-N 3.25Å; P256-F258 PolarHBondContact O-N 3.38Å
257	G	86.9	Confident	93.4	Very high	68 Å²	68	37.9 Å²	37.9	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	2.1	179.9	0	0	0	0	0	116.6	P255 F259	P255-G257 PolarHBondContact O-N 3.18Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 2.77Å
258	F	92.8	Very high	93.3	Very high	48 Å²	48	42.5 Å²	42.5	21%	0.211	22%	0.224	C	C	.	.	S	Bend	trans	-59.8	-36	-177.2	-172.5	-91.1	0	0	0	113.5	A183 L186 P255 P256	A183-F258 HydrophobicContact CB-CD2 4.4Å; A183-F258 HydrophobicContact CB-CE2 4.21Å; A183-F258 WeakPolarHBondContact O-CE2 3.4Å; L186-F258 HydrophobicContact CB-CD1 4.42Å; L186-F258 HydrophobicContact CB-CE1 3.6Å; L186-F258 HydrophobicContact CB-CE2 4.15Å; L186-F258 HydrophobicContact CB-CZ 3.44Å; L186-F258 VanDerWaalsContact CB-CZ 3.44Å; L186-F258 HydrophobicContact CD1-CD1 4.21Å; L186-F258 HydrophobicContact CD1-CE1 4.18Å; P255-F258 HydrophobicContact CB-CB 4.17Å; P255-F258 HydrophobicContact CG-CB 4.35Å; P255-F258 HydrophobicContact CG-CD2 4.09Å; P255-F258 HydrophobicContact CG-CG 4.44Å; P255-F258 VanDerWaalsContact O-CB 3.23Å; P255-F258 WeakPolarHBondContact O-CB 3.44Å; P255-F258 PolarHBondContact O-N 2.6Å; P255-F258 VanDerWaalsContact O-N 3.11Å; P256-F258 VanDerWaalsContact C-N 3.25Å; P256-F258 PolarHBondContact O-N 3.38Å
259	F	94.4	Very high	93.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	23%	0.229	C	C	.	.	S	Bend	trans	-111.4	138.2	169.5	-56.5	-59.6	0	0	0	110.1	D190 F191 Y196 G257 F264 I298 L302	D190-F259 HydrophobicContact CB-CZ 4.3Å; F191-F259 HydrophobicContact CB-CD1 4.18Å; F191-F259 HydrophobicContact CB-CE1 4.16Å; F191-F259 HydrophobicContact CD1-CD1 4.2Å; F191-F259 HydrophobicContact CD1-CE1 4.33Å; Y196-F259 HydrophobicContact CD2-CE2 4.05Å; Y196-F259 HydrophobicContact CD2-CZ 4.45Å; Y196-F259 HydrophobicContact CG-CE2 4.03Å; Y196-F259 HydrophobicContact CG-CZ 4.42Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 2.77Å; F259-F264 HydrophobicContact CB-CE2 3.63Å; F259-F264 HydrophobicContact CB-CZ 3.81Å; F259-F264 HydrophobicContact CD2-CZ 4.32Å; F259-F264 HydrophobicContact CG-CE2 4.44Å; F259-F264 HydrophobicContact CG-CZ 4.14Å; F259-I298 HydrophobicContact CD2-CG2 4.23Å; F259-I298 HydrophobicContact CE2-CG2 4.5Å; F259-L302 HydrophobicContact CB-CD1 4.16Å; F259-L302 HydrophobicContact CB-CD2 4.44Å; F259-L302 HydrophobicContact CD2-CD2 4.39Å
260	K	91.8	Very high	93.1	Very high	145 Å²	145	43.4 Å²	43.4	63%	0.63	23%	0.228	S	C	*	.			trans	-76.7	128	176.9	-65.1	-165.5	174.6	-164.8	0	110.8	S262 R263	K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.49Å; K260-R263 HydrophobicContact CB-CG 4.48Å; K260-R263 WeakPolarHBondContact O-CB 3.29Å; K260-R263 PolarHBondContact O-N 2.58Å; K260-R263 VanDerWaalsContact O-N 3.09Å
261	P	91.3	Very high	92.9	Very high	49 Å²	49	43.4 Å²	43.4	32%	0.318	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-51.8	-41.5	-178.5	-30.9	36.9	0	0	0	114.5	R263 F264 L299 H419	P261-R263 PolarHBondContact O-N 3.29Å; P261-F264 WeakPolarHBondContact O-CB 3.48Å; P261-F264 PolarHBondContact O-N 2.79Å; P261-L299 HydrophobicContact CB-CD2 4.13Å; P261-H419 HydrophobicContact CB-CB 4.04Å; P261-H419 WeakPolarHBondContact CB-ND1 3.24Å
262	S	90.1	Very high	92.7	Very high	37 Å²	37	46.3 Å²	46.3	26%	0.259	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-61.3	-6.9	179.3	58.9	0	0	0	0	116.6	K260 F264 R268 T398	K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.49Å; S262-F264 VanDerWaalsContact C-N 3.31Å; S262-R268 PolarHBondContact O-NE 3.31Å; S262-T398 WeakPolarHBondContact CB-OG1 3.31Å
263	R	91.8	Very high	92.4	Very high	111 Å²	111	47.8 Å²	47.8	42%	0.419	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-76.4	-17.8	167.5	-65.9	-174.8	172.9	-75.8	-2.9	113.3	F191 K260 P261 R268 N270	F191-R263 VanDerWaalsContact CZ-NH1 3.34Å; K260-R263 HydrophobicContact CB-CG 4.48Å; K260-R263 WeakPolarHBondContact O-CB 3.29Å; K260-R263 PolarHBondContact O-N 2.58Å; K260-R263 VanDerWaalsContact O-N 3.09Å; P261-R263 PolarHBondContact O-N 3.29Å; R263-R268 VanDerWaalsContact O-CD 3.23Å; R263-R268 WeakPolarHBondContact O-CD 3.37Å; R263-N270 PolarHBondContact O-ND2 3.41Å
264	F	94.4	Very high	92.1	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.013	27%	0.27	C	S	.	.	S	Bend	trans	-111.3	16.2	-171.5	-55.7	-72.1	0	0	0	113.1	F191 F259 P261 S262 N295 I298 L299 L302	F191-F264 HydrophobicContact CB-CE1 3.8Å; F191-F264 HydrophobicContact CB-CZ 3.79Å; F259-F264 HydrophobicContact CB-CE2 3.63Å; F259-F264 HydrophobicContact CB-CZ 3.81Å; F259-F264 HydrophobicContact CD2-CZ 4.32Å; F259-F264 HydrophobicContact CG-CE2 4.44Å; F259-F264 HydrophobicContact CG-CZ 4.14Å; P261-F264 WeakPolarHBondContact O-CB 3.48Å; P261-F264 PolarHBondContact O-N 2.79Å; S262-F264 VanDerWaalsContact C-N 3.31Å; F264-N295 HydrophobicContact CB-CB 3.95Å; F264-N295 HydrophobicContact CD1-CB 4.32Å; F264-N295 WeakPolarHBondContact O-CB 3.48Å; F264-I298 HydrophobicContact CD1-CB 4.42Å; F264-I298 HydrophobicContact CE1-CB 3.87Å; F264-I298 HydrophobicContact CE1-CD1 4.16Å; F264-I298 HydrophobicContact CE1-CG2 3.69Å; F264-I298 HydrophobicContact CE2-CG2 4.35Å; F264-I298 HydrophobicContact CZ-CB 4.22Å; F264-I298 HydrophobicContact CZ-CG2 3.54Å; F264-L299 HydrophobicContact CB-CD1 3.62Å; F264-L299 HydrophobicContact CB-CD2 3.92Å; F264-L299 HydrophobicContact CB-CG 3.56Å; F264-L299 HydrophobicContact CD2-CD2 3.69Å; F264-L299 HydrophobicContact CD2-CG 3.98Å; F264-L299 HydrophobicContact CG-CD2 4.12Å; F264-L299 HydrophobicContact CG-CG 3.92Å; F264-L302 HydrophobicContact CE2-CD1 4.01Å
265	H	93.6	Very high	91.8	Very high	29 Å²	29	54.6 Å²	54.6	13%	0.134	28%	0.277	C	S	.	.			trans	-47.1	138	171	-165.8	-99.2	0	0	0	110.8	Q267 R268 N295 E404	H265-Q267 PolarHBondContact O-N 2.86Å; H265-Q267 VanDerWaalsContact O-N 3.08Å; H265-R268 HydrophobicContact CB-CG 4.09Å; H265-R268 WeakPolarHBondContact O-CB 3.29Å; H265-R268 PolarHBondContact O-N 3.47Å; H265-N295 PolarHBondContact O-ND2 2.87Å; H265-N295 VanDerWaalsContact O-ND2 3.09Å; H265-E404 IonicContact CE1-OE1 3.79Å; H265-E404 PolarHBondContact CE1-OE1 3.23Å; H265-E404 IonicContact NE2-OE1 2.78Å
266	P	94.1	Very high	91.5	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.039	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.8	-172.9	-30.2	35.1	0	0	0	114.1	R268 P290 P292 P400 F405 A408 F409	P266-R268 VanDerWaalsContact C-N 3.28Å; P266-R268 PolarHBondContact O-N 2.91Å; P266-P290 WeakPolarHBondContact O-CB 3.37Å; P266-P292 HydrophobicContact CB-CB 4.27Å; P266-P400 HydrophobicContact CG-CB 4.17Å; P266-P400 HydrophobicContact CG-CG 3.97Å; P266-F405 HydrophobicContact CG-CD1 3.86Å; P266-F405 HydrophobicContact CG-CE1 3.89Å; P266-A408 HydrophobicContact CB-CB 3.83Å; P266-F409 HydrophobicContact CG-CE2 4.48Å
267	Q	92.6	Very high	91.5	Very high	112 Å²	112	53.2 Å²	53.2	52%	0.523	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.8	178.8	-62.3	167.6	18	0	0	115.2	H265 E404	H265-Q267 PolarHBondContact O-N 2.86Å; H265-Q267 VanDerWaalsContact O-N 3.08Å; Q267-E404 PolarHBondContact NE2-OE1 3.11Å
268	R	92.9	Very high	91.3	Very high	133 Å²	133	53.1 Å²	53.1	50%	0.502	26%	0.261	S	S	.	.			trans	-88.8	130.8	-178.1	-74.3	177.5	-178.1	-90.8	-1	111.8	S262 R263 H265 P266 T291 N295	S262-R268 PolarHBondContact O-NE 3.31Å; R263-R268 VanDerWaalsContact O-CD 3.23Å; R263-R268 WeakPolarHBondContact O-CD 3.37Å; H265-R268 HydrophobicContact CB-CG 4.09Å; H265-R268 WeakPolarHBondContact O-CB 3.29Å; H265-R268 PolarHBondContact O-N 3.47Å; P266-R268 VanDerWaalsContact C-N 3.28Å; P266-R268 PolarHBondContact O-N 2.91Å; R268-T291 PolarHBondContact O-N 3.05Å; R268-T291 PolarHBondContact O-OG1 3Å; R268-N295 PolarHBondContact O-ND2 3.35Å
269	N	94.1	Very high	90.7	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.102	28%	0.282	C	S	.	.			trans	-69.7	133.2	160.4	-175.8	-76.3	0	0	0	110.8	I271 R272 E288 P289	N269-I271 PolarHBondContact ND2-O 3.43Å; N269-I271 PolarHBondContact OD1-N 2.95Å; N269-I271 PolarHBondContact OD1-O 3.45Å; N269-I271 VanDerWaalsContact OD1-O 3.14Å; N269-R272 PolarHBondContact OD1-N 2.97Å; N269-E288 HydrophobicContact CB-CB 4.11Å; N269-E288 VanDerWaalsContact CG-OE2 3.28Å; N269-E288 PolarHBondContact OD1-OE2 3.34Å; N269-P289 VanDerWaalsContact CB-O 3.3Å; N269-P289 WeakPolarHBondContact CB-O 3.36Å; N269-P289 PolarHBondContact ND2-O 3.2Å
270	N	94.5	Very high	89.4	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.043	32%	0.321	C	S	.	.			trans	-129	10.8	162.5	-70.9	-64.7	0	0	0	113.3	F191 L192 N193 R263 T291 Y294 N295	F191-N270 HydrophobicContact CD2-CB 4.5Å; F191-N270 WeakPolarHBondContact CD2-OD1 3.43Å; F191-N270 WeakPolarHBondContact CE2-OD1 3.38Å; L192-N270 WeakPolarHBondContact CA-O 3.45Å; L192-N270 HydrophobicContact CD2-CB 4.28Å; N193-N270 PolarHBondContact N-O 2.86Å; R263-N270 PolarHBondContact O-ND2 3.41Å; N270-T291 PolarHBondContact N-OG1 3.22Å; N270-Y294 HydrophobicContact CB-CD1 3.96Å; N270-Y294 HydrophobicContact CB-CE1 3.69Å; N270-N295 PolarHBondContact ND2-OD1 3.14Å
271	I	92.7	Very high	87.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-123.9	98.3	170.8	-55.7	176.2	0	0	0	108.2	N269 T273 W275 Y276 T291 Y294 M493	N269-I271 PolarHBondContact ND2-O 3.43Å; N269-I271 PolarHBondContact OD1-N 2.95Å; N269-I271 PolarHBondContact OD1-O 3.45Å; N269-I271 VanDerWaalsContact OD1-O 3.14Å; I271-T273 PolarHBondContact O-N 3.36Å; I271-W275 HydrophobicContact CG2-CE3 3.89Å; I271-W275 HydrophobicContact CG2-CZ3 3.83Å; I271-Y276 HydrophobicContact CG2-CD2 4.3Å; I271-T291 HydrophobicContact CB-CG2 4.04Å; I271-T291 HydrophobicContact CD1-CG2 4.43Å; I271-T291 HydrophobicContact CG1-CG2 4.24Å; I271-Y294 HydrophobicContact CD1-CD1 4.22Å; I271-Y294 HydrophobicContact CD1-CD2 3.64Å; I271-Y294 HydrophobicContact CD1-CE2 4.2Å; I271-Y294 HydrophobicContact CD1-CG 3.65Å; I271-Y294 HydrophobicContact CG1-CD1 3.93Å; I271-Y294 HydrophobicContact CG1-CD2 4.03Å; I271-Y294 HydrophobicContact CG1-CE1 4.12Å; I271-Y294 HydrophobicContact CG1-CE2 4.22Å; I271-Y294 HydrophobicContact CG1-CG 3.88Å; I271-M493 WeakPolarHBondContact CD1-O 3.38Å; I271-M493 HydrophobicContact CG2-CE 4.48Å; I271-M493 WeakPolarHBondContact O-CE 3.34Å
272	R	91	Very high	86.2	Confident	74 Å²	74	62.6 Å²	62.6	28%	0.279	33%	0.326	S	S	.	.			trans	-62.5	133.2	-179.6	-63.9	-54.8	-161.8	-156.5	7.8	111.5	N193 N269 E274 W275 Y276 E285 E288	N193-R272 PolarHBondContact OD1-N 3.02Å; N269-R272 PolarHBondContact OD1-N 2.97Å; R272-E274 PolarHBondContact O-N 3.5Å; R272-W275 HydrophobicContact CB-CB 4.35Å; R272-W275 WeakPolarHBondContact O-CB 3.22Å; R272-W275 PolarHBondContact O-N 3.45Å; R272-W275 VanDerWaalsContact O-N 3.11Å; R272-Y276 PolarHBondContact O-N 3.02Å; R272-Y276 VanDerWaalsContact O-N 3.08Å; R272-E285 IonicContact CZ-OE1 3.17Å; R272-E285 IonicContact NH2-OE1 2.79Å; R272-E285 PolarHBondContact NH2-OE1 2.86Å; R272-E288 WeakPolarHBondContact CA-OE1 3.31Å; R272-E288 WeakPolarHBondContact CD-OE2 3.43Å; R272-E288 IonicContact CZ-OE2 3.21Å; R272-E288 IonicContact NE-OE2 2.69Å; R272-E288 PolarHBondContact NE-OE2 3.39Å; R272-E288 IonicContact NH1-OE2 3.75Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å
273	T	89.2	Confident	84.1	Confident	31 Å²	31	68.7 Å²	68.7	19%	0.19	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-43.9	-175.8	-45.1	0	0	0	0	111.7	I271 W275 Y276 T277 E288 M493	I271-T273 PolarHBondContact O-N 3.36Å; T273-W275 VanDerWaalsContact C-N 3.3Å; T273-W275 PolarHBondContact O-N 3.5Å; T273-Y276 PolarHBondContact O-N 3.29Å; T273-T277 HydrophobicContact CG2-CG2 4.28Å; T273-T277 WeakPolarHBondContact O-CB 3.43Å; T273-T277 WeakPolarHBondContact O-CG2 3.13Å; T273-T277 PolarHBondContact O-N 3.28Å; T273-T277 PolarHBondContact O-OG1 3.34Å; T273-E288 WeakPolarHBondContact CB-OE1 3.47Å; T273-E288 PolarHBondContact N-OE1 2.91Å; T273-E288 PolarHBondContact OG1-OE1 2.74Å; T273-M493 HydrophobicContact CG2-CE 4.34Å; T273-M493 HydrophobicContact CG2-SD 4.1Å
274	E	88.9	Confident	82.4	Confident	109 Å²	109	68.8 Å²	68.8	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-56.6	-44.5	174.6	-176.9	-159.9	-155.5	0	0	111.4	R272 G278 L279	R272-E274 PolarHBondContact O-N 3.5Å; E274-G278 VanDerWaalsContact O-CA 3.26Å; E274-G278 WeakPolarHBondContact O-CA 3.14Å; E274-G278 PolarHBondContact O-N 2.89Å; E274-L279 WeakPolarHBondContact CA-O 3.12Å
275	W	89.2	Confident	80.3	Confident	46 Å²	46	75.6 Å²	75.6	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-68.2	-42.7	-178.9	172.4	76.4	0	0	0	112.3	P142 A144 N193 Q194 I271 R272 T273	P142-W275 HydrophobicContact CG-CD2 4.49Å; P142-W275 HydrophobicContact CG-CH2 4.4Å; P142-W275 HydrophobicContact CG-CZ2 4.26Å; P142-W275 WeakPolarHBondContact CG-O 3.37Å; A144-W275 PolarHBondContact O-NE1 2.86Å; N193-W275 HydrophobicContact CB-CD2 3.56Å; N193-W275 HydrophobicContact CB-CE3 3.68Å; N193-W275 HydrophobicContact CB-CG 4.01Å; N193-W275 HydrophobicContact CB-CH2 4.33Å; N193-W275 HydrophobicContact CB-CZ2 4.24Å; N193-W275 HydrophobicContact CB-CZ3 4.07Å; N193-W275 WeakPolarHBondContact ND2-CB 3.43Å; N193-W275 WeakPolarHBondContact O-CH2 3.31Å; N193-W275 WeakPolarHBondContact O-CZ2 3.37Å; Q194-W275 HydrophobicContact CB-CH2 3.92Å; Q194-W275 HydrophobicContact CG-CH2 3.85Å; Q194-W275 HydrophobicContact CG-CZ3 4.18Å; I271-W275 HydrophobicContact CG2-CE3 3.89Å; I271-W275 HydrophobicContact CG2-CZ3 3.83Å; R272-W275 HydrophobicContact CB-CB 4.35Å; R272-W275 WeakPolarHBondContact O-CB 3.22Å; R272-W275 PolarHBondContact O-N 3.45Å; R272-W275 VanDerWaalsContact O-N 3.11Å; T273-W275 VanDerWaalsContact C-N 3.3Å; T273-W275 PolarHBondContact O-N 3.5Å
276	Y	88.5	Confident	78.2	Confident	38 Å²	38	82.1 Å²	82.1	15%	0.149	43%	0.432	C	S	.	.	H	α-helix	trans	-72	-39.8	-177.7	-174.6	-95.2	0	0	0	112.7	I271 R272 T273 L489 S492 M493 G497	I271-Y276 HydrophobicContact CG2-CD2 4.3Å; R272-Y276 PolarHBondContact O-N 3.02Å; R272-Y276 VanDerWaalsContact O-N 3.08Å; T273-Y276 PolarHBondContact O-N 3.29Å; Y276-L489 HydrophobicContact CE1-CD1 4.35Å; Y276-S492 PolarHBondContact OH-O 3.36Å; Y276-S492 VanDerWaalsContact OH-O 3.11Å; Y276-S492 PolarHBondContact OH-OG 3.11Å; Y276-M493 HydrophobicContact CD1-CB 4.38Å; Y276-M493 HydrophobicContact CD1-CG 3.24Å; Y276-M493 HydrophobicContact CD1-SD 4.25Å; Y276-M493 HydrophobicContact CD2-CG 4.22Å; Y276-M493 HydrophobicContact CE1-CB 4.43Å; Y276-M493 HydrophobicContact CE1-CG 3.56Å; Y276-M493 HydrophobicContact CE2-CG 4.49Å; Y276-M493 HydrophobicContact CG-CB 4.49Å; Y276-M493 HydrophobicContact CG-CG 3.59Å; Y276-G497 VanDerWaalsContact OH-CA 3.26Å; Y276-G497 WeakPolarHBondContact OH-CA 3.4Å; Y276-G497 PolarHBondContact OH-N 3.28Å; Y276-G497 VanDerWaalsContact OH-N 3.17Å
277	T	86.3	Confident	76.9	Confident	47 Å²	47	85.7 Å²	85.7	29%	0.288	46%	0.457	S	S	.	.	H	α-helix	trans	-92.6	-27.4	-175.4	63	0	0	0	0	114	T273 L279 L489	T273-T277 HydrophobicContact CG2-CG2 4.28Å; T273-T277 WeakPolarHBondContact O-CB 3.43Å; T273-T277 WeakPolarHBondContact O-CG2 3.13Å; T273-T277 PolarHBondContact O-N 3.28Å; T273-T277 PolarHBondContact O-OG1 3.34Å; T277-L279 VanDerWaalsContact C-N 3.26Å; T277-L279 PolarHBondContact OG1-N 3Å; T277-L279 VanDerWaalsContact OG1-N 3.15Å; T277-L489 HydrophobicContact CG2-CD1 4.39Å; T277-L489 HydrophobicContact CG2-CD2 4.24Å
278	G	83.1	Confident	76.6	Confident	66 Å²	66	82.4 Å²	82.4	68%	0.68	44%	0.442	S	S	*	.	S	Bend	trans	75.8	8	-168.2	0	0	0	0	0	114.5	E274	E274-G278 VanDerWaalsContact O-CA 3.26Å; E274-G278 WeakPolarHBondContact O-CA 3.14Å; E274-G278 PolarHBondContact O-N 2.89Å
279	L	80.4	Confident	76.5	Confident	126 Å²	126	77.7 Å²	77.7	66%	0.66	43%	0.429	S	S	*	.	S	Bend	trans	-103.9	137.1	178.8	-61.2	173	0	0	0	110.3	E274 T277 A281	E274-L279 WeakPolarHBondContact CA-O 3.12Å; T277-L279 VanDerWaalsContact C-N 3.26Å; T277-L279 PolarHBondContact OG1-N 3Å; T277-L279 VanDerWaalsContact OG1-N 3.15Å; L279-A281 PolarHBondContact O-N 3.17Å
280	Q	68.1	Low	76.5	Confident	179 Å²	179	79.9 Å²	79.9	84%	0.836	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-68.7	124.7	175.2	-71	-175.7	-34.8	0	0	110.6
281	A	59.1	Low	76.5	Confident	50 Å²	50	79.5 Å²	79.5	41%	0.413	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-85.8	160.1	173.2	0	0	0	0	0	111.2	L279	L279-A281 PolarHBondContact O-N 3.17Å
282	S	55.3	Low	76.7	Confident	90 Å²	90	80.1 Å²	80.1	63%	0.629	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.1	165.6	42.1	0	0	0	0	110.4	D284	S282-D284 PolarHBondContact O-N 3.29Å
283	N	47.4	Very low	76.9	Confident	166 Å²	166	78.3 Å²	78.3	89%	0.888	44%	0.44	S	S	*	.	S	Bend	trans	-71	20.7	-161.4	-72.7	-33.4	0	0	0	117.6
284	D	54.3	Low	77.1	Confident	113 Å²	113	76.9 Å²	76.9	60%	0.604	43%	0.432	S	S	*	.			trans	-88.4	110.2	175.7	-85.6	-55.3	0	0	0	111.4	S282 N286 S287	S282-D284 PolarHBondContact O-N 3.29Å; D284-N286 PolarHBondContact O-N 2.96Å; D284-N286 VanDerWaalsContact O-N 3.11Å; D284-S287 VanDerWaalsContact O-CB 3.27Å; D284-S287 WeakPolarHBondContact O-CB 3.4Å; D284-S287 PolarHBondContact O-N 3.26Å
285	E	50.4	Low	77.4	Confident	146 Å²	146	71.7 Å²	71.7	68%	0.682	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-62.4	-17.7	174.5	-71.8	-152.9	122.8	0	0	113.2	R272 S287	R272-E285 IonicContact CZ-OE1 3.17Å; R272-E285 IonicContact NH2-OE1 2.79Å; R272-E285 PolarHBondContact NH2-OE1 2.86Å; E285-S287 VanDerWaalsContact C-N 3.25Å; E285-S287 PolarHBondContact O-N 3.15Å
286	N	50.9	Low	77.7	Confident	165 Å²	165	70 Å²	70	88%	0.882	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-76.9	-5.2	172.3	-71.2	-18.9	0	0	0	113.7	D284	D284-N286 PolarHBondContact O-N 2.96Å; D284-N286 VanDerWaalsContact O-N 3.11Å
287	S	65.9	Low	77.9	Confident	81 Å²	81	68.7 Å²	68.7	57%	0.566	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-97	-2.1	-175.3	-171.6	0	0	0	0	114.5	D284 E285	D284-S287 VanDerWaalsContact O-CB 3.27Å; D284-S287 WeakPolarHBondContact O-CB 3.4Å; D284-S287 PolarHBondContact O-N 3.26Å; E285-S287 VanDerWaalsContact C-N 3.25Å; E285-S287 PolarHBondContact O-N 3.15Å
288	E	86.1	Confident	78.3	Confident	43 Å²	43	66.5 Å²	66.5	20%	0.201	39%	0.387	C	S	.	.	S	Bend	trans	-87.4	140.6	-176	-72	-150.8	130.4	0	0	114	N269 R272 T273	N269-E288 HydrophobicContact CB-CB 4.11Å; N269-E288 VanDerWaalsContact CG-OE2 3.28Å; N269-E288 PolarHBondContact OD1-OE2 3.34Å; R272-E288 WeakPolarHBondContact CA-OE1 3.31Å; R272-E288 WeakPolarHBondContact CD-OE2 3.43Å; R272-E288 IonicContact CZ-OE2 3.21Å; R272-E288 IonicContact NE-OE2 2.69Å; R272-E288 PolarHBondContact NE-OE2 3.39Å; R272-E288 IonicContact NH1-OE2 3.75Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å; T273-E288 WeakPolarHBondContact CB-OE1 3.47Å; T273-E288 PolarHBondContact N-OE1 2.91Å; T273-E288 PolarHBondContact OG1-OE1 2.74Å
289	P	91.1	Very high	78.8	Confident	34 Å²	34	63.6 Å²	63.6	22%	0.221	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-69.5	147	-179.9	29.6	-35.4	0	0	0	111.9	N269 M493	N269-P289 VanDerWaalsContact CB-O 3.3Å; N269-P289 WeakPolarHBondContact CB-O 3.36Å; N269-P289 PolarHBondContact ND2-O 3.2Å; P289-M493 HydrophobicContact CG-CE 4.19Å
290	P	94.2	Very high	79.4	Confident	66 Å²	66	58.6 Å²	58.6	43%	0.429	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.4	155.9	175.3	30.3	-36.9	0	0	0	111.7	P266 P292	P266-P290 WeakPolarHBondContact O-CB 3.37Å; P290-P292 VanDerWaalsContact C-CD 3.44Å
291	T	95.4	Very high	80.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.297	C	S	.	.			trans	-127.4	65.1	178.5	60.5	0	0	0	0	111.9	R268 N270 I271 N295 D494	R268-T291 PolarHBondContact O-N 3.05Å; R268-T291 PolarHBondContact O-OG1 3Å; N270-T291 PolarHBondContact N-OG1 3.22Å; I271-T291 HydrophobicContact CB-CG2 4.04Å; I271-T291 HydrophobicContact CD1-CG2 4.43Å; I271-T291 HydrophobicContact CG1-CG2 4.24Å; T291-N295 VanDerWaalsContact O-CB 3.26Å; T291-N295 WeakPolarHBondContact O-CB 2.86Å; T291-N295 PolarHBondContact O-N 2.85Å; T291-N295 PolarHBondContact O-ND2 3.01Å; T291-N295 PolarHBondContact O-OD1 2.97Å; T291-N295 PolarHBondContact OG1-OD1 3.17Å; T291-D494 VanDerWaalsContact C-CG 3.44Å; T291-D494 VanDerWaalsContact CA-CG 3.5Å; T291-D494 WeakPolarHBondContact CA-OD1 3.24Å; T291-D494 VanDerWaalsContact CB-OD1 3.31Å; T291-D494 WeakPolarHBondContact CB-OD1 3.38Å
292	P	95.8	Very high	82.2	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-40.2	-171.7	26.2	-35.5	0	0	0	115	P266 P290 N295 G296 A408 F409 D494	P266-P292 HydrophobicContact CB-CB 4.27Å; P290-P292 VanDerWaalsContact C-CD 3.44Å; P292-N295 PolarHBondContact O-N 3.45Å; P292-G296 PolarHBondContact O-N 2.68Å; P292-A408 HydrophobicContact CB-CB 3.94Å; P292-A408 HydrophobicContact CG-CB 4.16Å; P292-F409 HydrophobicContact CB-CE1 3.99Å; P292-F409 HydrophobicContact CB-CE2 4.21Å; P292-F409 HydrophobicContact CB-CZ 3.63Å; P292-D494 WeakPolarHBondContact CD-OD2 3.39Å; P292-D494 WeakPolarHBondContact CG-OD2 3.44Å
293	H	94.4	Very high	84	Confident	35 Å²	35	46.2 Å²	46.2	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-41	178.9	-70.4	-98.7	0	0	0	111.9	N295 G296 S297 F409 A424 D425 D494 H495	H293-N295 VanDerWaalsContact C-N 3.33Å; H293-N295 PolarHBondContact O-N 2.96Å; H293-G296 PolarHBondContact O-N 3.21Å; H293-S297 VanDerWaalsContact O-CB 3.27Å; H293-S297 WeakPolarHBondContact O-CB 3.45Å; H293-S297 PolarHBondContact O-N 2.84Å; H293-F409 AromaticContact NE2-CD1 3.96Å; H293-A424 PolarHBondContact CE1-O 3.17Å; H293-D425 IonicContact CE1-OD1 2.69Å; H293-D425 IonicContact CG-OD1 3.23Å; H293-D425 IonicContact ND1-OD1 3.53Å; H293-D425 PolarHBondContact ND1-OD1 2.99Å; H293-D494 WeakPolarHBondContact CB-OD2 3.42Å; H293-D494 IonicContact CD2-OD2 2.73Å; H293-D494 PolarHBondContact CD2-OD2 2.99Å; H293-D494 VanDerWaalsContact CD2-OD2 3.29Å; H293-D494 IonicContact CG-OD2 2.61Å; H293-D494 PolarHBondContact N-OD1 2.88Å; H293-D494 PolarHBondContact N-OD2 3.18Å; H293-H495 AromaticContact CD2-CE1 3.62Å; H293-H495 AromaticContact CE1-CE1 3.59Å; H293-H495 AromaticContact CG-CE1 3.57Å; H293-H495 AromaticContact CG-ND1 3.88Å; H293-H495 AromaticContact ND1-CE1 3.55Å; H293-H495 AromaticContact NE2-CE1 3.64Å
294	Y	94.8	Very high	86.1	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-42.2	172.9	175.4	-95.7	0	0	0	111.4	F191 Q194 P197 L230 N270 I271 S297 I298 D494	F191-Y294 VanDerWaalsContact O-CE1 3.25Å; F191-Y294 WeakPolarHBondContact O-CE1 3.26Å; F191-Y294 PolarHBondContact O-OH 3.46Å; Q194-Y294 WeakPolarHBondContact CA-OH 3.46Å; Q194-Y294 HydrophobicContact CB-CE2 4.42Å; Q194-Y294 HydrophobicContact CG-CE2 3.89Å; Q194-Y294 PolarHBondContact N-OH 2.91Å; P197-Y294 HydrophobicContact CG-CE2 4.27Å; L230-Y294 HydrophobicContact CD1-CD2 3.69Å; L230-Y294 HydrophobicContact CD1-CE2 4.32Å; N270-Y294 HydrophobicContact CB-CD1 3.96Å; N270-Y294 HydrophobicContact CB-CE1 3.69Å; I271-Y294 HydrophobicContact CD1-CD1 4.22Å; I271-Y294 HydrophobicContact CD1-CD2 3.64Å; I271-Y294 HydrophobicContact CD1-CE2 4.2Å; I271-Y294 HydrophobicContact CD1-CG 3.65Å; I271-Y294 HydrophobicContact CG1-CD1 3.93Å; I271-Y294 HydrophobicContact CG1-CD2 4.03Å; I271-Y294 HydrophobicContact CG1-CE1 4.12Å; I271-Y294 HydrophobicContact CG1-CE2 4.22Å; I271-Y294 HydrophobicContact CG1-CG 3.88Å; Y294-S297 WeakPolarHBondContact O-CB 3.32Å; Y294-S297 PolarHBondContact O-N 3.44Å; Y294-I298 HydrophobicContact CD1-CD1 4.45Å; Y294-I298 HydrophobicContact CE1-CD1 3.74Å; Y294-I298 HydrophobicContact CE2-CD1 4.17Å; Y294-I298 PolarHBondContact O-N 2.73Å; Y294-D494 VanDerWaalsContact CB-OD1 3.26Å; Y294-D494 WeakPolarHBondContact CB-OD1 3.32Å; Y294-D494 PolarHBondContact N-OD1 3.08Å
295	N	95.4	Very high	87.9	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-50.4	176.6	-71.7	-4.3	0	0	0	111.5	F264 H265 R268 N270 T291 P292 H293 S297 I298 L299	F264-N295 HydrophobicContact CB-CB 3.95Å; F264-N295 HydrophobicContact CD1-CB 4.32Å; F264-N295 WeakPolarHBondContact O-CB 3.48Å; H265-N295 PolarHBondContact O-ND2 2.87Å; H265-N295 VanDerWaalsContact O-ND2 3.09Å; R268-N295 PolarHBondContact O-ND2 3.35Å; N270-N295 PolarHBondContact ND2-OD1 3.14Å; T291-N295 VanDerWaalsContact O-CB 3.26Å; T291-N295 WeakPolarHBondContact O-CB 2.86Å; T291-N295 PolarHBondContact O-N 2.85Å; T291-N295 PolarHBondContact O-ND2 3.01Å; T291-N295 PolarHBondContact O-OD1 2.97Å; T291-N295 PolarHBondContact OG1-OD1 3.17Å; P292-N295 PolarHBondContact O-N 3.45Å; H293-N295 VanDerWaalsContact C-N 3.33Å; H293-N295 PolarHBondContact O-N 2.96Å; N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 2.93Å; N295-I298 PolarHBondContact O-N 3.48Å; N295-L299 PolarHBondContact O-N 2.86Å
296	G	94.4	Very high	90	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-38.7	175.9	0	0	0	0	0	113.1	P292 H293 I298 L299 G300	P292-G296 PolarHBondContact O-N 2.68Å; H293-G296 PolarHBondContact O-N 3.21Å; G296-I298 VanDerWaalsContact C-N 3.28Å; G296-I298 PolarHBondContact O-N 2.67Å; G296-L299 PolarHBondContact O-N 2.87Å; G296-G300 PolarHBondContact O-N 2.73Å
297	S	93.8	Very high	92.1	Very high	11 Å²	11	25 Å²	25	8%	0.077	15%	0.154	C	C	.	.	H	α-helix	trans	-57	-39.2	176.5	-177.8	0	0	0	0	112.6	N228 K231 H293 Y294 N295	N228-S297 PolarHBondContact ND2-OG 3.49Å; K231-S297 WeakPolarHBondContact CD-OG 3.42Å; K231-S297 WeakPolarHBondContact CG-OG 3.13Å; K231-S297 PolarHBondContact NZ-O 3.41Å; H293-S297 VanDerWaalsContact O-CB 3.27Å; H293-S297 WeakPolarHBondContact O-CB 3.45Å; H293-S297 PolarHBondContact O-N 2.84Å; Y294-S297 WeakPolarHBondContact O-CB 3.32Å; Y294-S297 PolarHBondContact O-N 3.44Å; N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 2.93Å
298	I	94.8	Very high	93.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-81.9	-40.4	178.5	-59.8	-178	0	0	0	111.4	Y196 F259 F264 Y294 N295 G296 G300 D301	Y196-I298 HydrophobicContact CD1-CD1 4.12Å; Y196-I298 HydrophobicContact CD1-CG1 4Å; Y196-I298 HydrophobicContact CD1-CG2 4.02Å; Y196-I298 HydrophobicContact CE1-CG1 4.47Å; Y196-I298 HydrophobicContact CE1-CG2 4.28Å; F259-I298 HydrophobicContact CD2-CG2 4.23Å; F259-I298 HydrophobicContact CE2-CG2 4.5Å; F264-I298 HydrophobicContact CD1-CB 4.42Å; F264-I298 HydrophobicContact CE1-CB 3.87Å; F264-I298 HydrophobicContact CE1-CD1 4.16Å; F264-I298 HydrophobicContact CE1-CG2 3.69Å; F264-I298 HydrophobicContact CE2-CG2 4.35Å; F264-I298 HydrophobicContact CZ-CB 4.22Å; F264-I298 HydrophobicContact CZ-CG2 3.54Å; Y294-I298 HydrophobicContact CD1-CD1 4.45Å; Y294-I298 HydrophobicContact CE1-CD1 3.74Å; Y294-I298 HydrophobicContact CE2-CD1 4.17Å; Y294-I298 PolarHBondContact O-N 2.73Å; N295-I298 PolarHBondContact O-N 3.48Å; G296-I298 VanDerWaalsContact C-N 3.28Å; G296-I298 PolarHBondContact O-N 2.67Å; I298-G300 VanDerWaalsContact C-N 3.26Å; I298-G300 PolarHBondContact O-N 2.68Å; I298-D301 PolarHBondContact O-N 3.01Å
299	L	93.4	Very high	93.9	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-54.5	-43.6	172.4	-78.6	171.1	0	0	0	111.8	P261 F264 N295 G296 D301 L302 H419 L420	P261-L299 HydrophobicContact CB-CD2 4.13Å; F264-L299 HydrophobicContact CB-CD1 3.62Å; F264-L299 HydrophobicContact CB-CD2 3.92Å; F264-L299 HydrophobicContact CB-CG 3.56Å; F264-L299 HydrophobicContact CD2-CD2 3.69Å; F264-L299 HydrophobicContact CD2-CG 3.98Å; F264-L299 HydrophobicContact CG-CD2 4.12Å; F264-L299 HydrophobicContact CG-CG 3.92Å; N295-L299 PolarHBondContact O-N 2.86Å; G296-L299 PolarHBondContact O-N 2.87Å; L299-D301 PolarHBondContact O-N 3.03Å; L299-D301 VanDerWaalsContact O-N 3.12Å; L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 3.41Å; L299-H419 HydrophobicContact CD1-CB 4.44Å; L299-H419 WeakPolarHBondContact CD1-O 3.32Å; L299-H419 HydrophobicContact CD2-CB 4.36Å; L299-L420 HydrophobicContact CB-CB 4.41Å; L299-L420 HydrophobicContact CB-CD1 3.97Å
300	G	92.5	Very high	94.1	Very high	20 Å²	20	27.5 Å²	27.5	21%	0.206	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-5.5	176.9	0	0	0	0	0	115.7	K231 G296 I298	K231-G300 VanDerWaalsContact NZ-C 3.31Å; K231-G300 PolarHBondContact NZ-O 3.34Å; G296-G300 PolarHBondContact O-N 2.73Å; I298-G300 VanDerWaalsContact C-N 3.26Å; I298-G300 PolarHBondContact O-N 2.68Å
301	D	93.4	Very high	94.2	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-95.3	-20.6	168	-82.8	-4.8	0	0	0	112.9	Y196 R200 K231 I298 L299	Y196-D301 HydrophobicContact CE1-CB 4.39Å; Y196-D301 WeakPolarHBondContact CE1-OD2 3.38Å; Y196-D301 PolarHBondContact OH-OD2 3.29Å; R200-D301 WeakPolarHBondContact CD-OD2 3.45Å; R200-D301 IonicContact CZ-OD2 2.67Å; R200-D301 IonicContact NE-OD1 2.74Å; R200-D301 IonicContact NE-OD2 3.6Å; R200-D301 PolarHBondContact NE-OD2 2.74Å; R200-D301 IonicContact NH2-OD1 2.71Å; K231-D301 WeakPolarHBondContact CE-OD1 2.87Å; K231-D301 IonicContact NZ-OD1 3.16Å; K231-D301 PolarHBondContact NZ-OD1 3.49Å; I298-D301 PolarHBondContact O-N 3.01Å; L299-D301 PolarHBondContact O-N 3.03Å; L299-D301 VanDerWaalsContact O-N 3.12Å
302	L	92.8	Very high	94.2	Very high	28 Å²	28	27.8 Å²	27.8	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-80.1	-26.3	-179.3	-70.1	160.1	0	0	0	112.8	P254 F259 F264 L299	P254-L302 HydrophobicContact CB-CD2 4.48Å; P254-L302 HydrophobicContact CG-CD2 3.55Å; P254-L302 HydrophobicContact CG-CG 4.12Å; F259-L302 HydrophobicContact CB-CD1 4.16Å; F259-L302 HydrophobicContact CB-CD2 4.44Å; F259-L302 HydrophobicContact CD2-CD2 4.39Å; F264-L302 HydrophobicContact CE2-CD1 4.01Å; L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 3.41Å
303	L	92.4	Very high	94.1	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.126	17%	0.174	C	C	.	.	S	Bend	trans	-103	-13.7	-165.5	-61.9	170.6	0	0	0	118.6	R305 A306 H307 L420	L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 3.01Å; L303-A306 PolarHBondContact O-N 2.91Å; L303-H307 WeakPolarHBondContact CB-CE1 3.44Å; L303-H307 PolarHBondContact O-N 3.3Å; L303-L420 HydrophobicContact CD1-CB 3.96Å; L303-L420 HydrophobicContact CD1-CD2 4.04Å
304	P	92.1	Very high	94	Very high	29 Å²	29	28.6 Å²	28.6	19%	0.188	17%	0.17	C	C	.	.	H	α-helix	trans	-52.2	-35.9	-172.6	-31.1	35.6	0	0	0	116.3	I160 L308	I160-P304 HydrophobicContact CD1-CB 3.94Å; P304-L308 WeakPolarHBondContact O-CB 3.26Å; P304-L308 PolarHBondContact O-N 2.94Å
305	R	92.3	Very high	93.9	Very high	58 Å²	58	29.4 Å²	29.4	22%	0.219	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-42.6	176.5	-60.9	177.7	-175	-121.6	-6.2	112.2	S156 D158 T180 L303 L308 Q309	S156-R305 PolarHBondContact OG-NH2 3.32Å; D158-R305 IonicContact OD1-CZ 2.65Å; D158-R305 IonicContact OD1-NH1 2.82Å; D158-R305 PolarHBondContact OD1-NH1 3.45Å; D158-R305 IonicContact OD2-CZ 2.69Å; D158-R305 IonicContact OD2-NH1 2.79Å; D158-R305 PolarHBondContact OD2-NH1 2.79Å; D158-R305 IonicContact OD2-NH2 3.29Å; D158-R305 PolarHBondContact OD2-NH2 3.15Å; T180-R305 PolarHBondContact OG1-NH2 2.8Å; L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 3.01Å; R305-L308 PolarHBondContact O-N 2.8Å; R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 2.86Å
306	A	93.3	Very high	93.7	Very high	47 Å²	47	34.2 Å²	34.2	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-68.1	-38.6	177.4	0	0	0	0	0	111.1	L303 Q309 F310	L303-A306 PolarHBondContact O-N 2.91Å; A306-Q309 PolarHBondContact O-N 2.88Å; A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.18Å
307	H	95.1	Very high	93.5	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.046	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-40.2	173.4	-66.4	161	0	0	0	112.8	L303 L311 F347 M351 D415	L303-H307 WeakPolarHBondContact CB-CE1 3.44Å; L303-H307 PolarHBondContact O-N 3.3Å; H307-L311 WeakPolarHBondContact O-CB 3.14Å; H307-L311 WeakPolarHBondContact O-CG 3.24Å; H307-L311 PolarHBondContact O-N 3.01Å; H307-F347 HydrophobicContact CB-CE2 4Å; H307-F347 HydrophobicContact CB-CZ 4.31Å; H307-F347 AromaticContact ND1-CZ 3.66Å; H307-M351 HydrophobicContact CB-CE 3.61Å; H307-D415 IonicContact CD2-OD2 3.97Å; H307-D415 IonicContact CE1-OD2 2.72Å; H307-D415 IonicContact NE2-OD2 3.25Å; H307-D415 PolarHBondContact NE2-OD2 3.29Å
308	L	95.3	Very high	93.5	Very high	34 Å²	34	39 Å²	39	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-49.7	172.6	176.3	66.9	0	0	0	111.6	L159 I160 P164 L165 P304 R305 F310 L311 S312	L159-L308 WeakPolarHBondContact O-CD2 3.42Å; I160-L308 HydrophobicContact CG2-CD2 4.37Å; P164-L308 HydrophobicContact CB-CD1 4.23Å; P164-L308 HydrophobicContact CG-CD1 3.69Å; P164-L308 HydrophobicContact CG-CD2 4.1Å; L165-L308 HydrophobicContact CD1-CD1 4.25Å; L165-L308 HydrophobicContact CD2-CD1 3.81Å; L165-L308 HydrophobicContact CG-CD1 3.68Å; P304-L308 WeakPolarHBondContact O-CB 3.26Å; P304-L308 PolarHBondContact O-N 2.94Å; R305-L308 PolarHBondContact O-N 2.8Å; L308-F310 VanDerWaalsContact C-N 3.32Å; L308-F310 PolarHBondContact O-N 3.22Å; L308-L311 PolarHBondContact O-N 3.28Å; L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.2Å
309	Q	95	Very high	93.3	Very high	140 Å²	140	44.6 Å²	44.6	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-59.3	-44.1	179.3	-73.9	171.4	-12.9	0	0	111.5	R305 A306 S312 A313	R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 2.86Å; A306-Q309 PolarHBondContact O-N 2.88Å; Q309-S312 PolarHBondContact O-N 3.29Å; Q309-A313 WeakPolarHBondContact O-CB 2.83Å; Q309-A313 PolarHBondContact O-N 2.89Å
310	F	95.7	Very high	93.2	Very high	37 Å²	37	45 Å²	45	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-52.7	174.5	168.9	-95.5	0	0	0	112.3	A306 L308 S312 A313 I314 M351 A354 M358 L391 P416	A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.41Å; A306-F310 PolarHBondContact O-N 3.18Å; L308-F310 VanDerWaalsContact C-N 3.32Å; L308-F310 PolarHBondContact O-N 3.22Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 3.44Å; F310-A313 PolarHBondContact O-N 3.09Å; F310-A313 VanDerWaalsContact O-N 3.16Å; F310-I314 HydrophobicContact CD2-CG1 4.41Å; F310-I314 HydrophobicContact CE1-CG1 4.34Å; F310-I314 HydrophobicContact CE2-CD1 4.34Å; F310-I314 HydrophobicContact CE2-CG1 3.94Å; F310-I314 HydrophobicContact CZ-CG1 3.88Å; F310-I314 WeakPolarHBondContact O-CG1 3.29Å; F310-I314 PolarHBondContact O-N 3.08Å; F310-M351 HydrophobicContact CD1-CE 4.08Å; F310-M351 HydrophobicContact CD1-SD 3.87Å; F310-M351 HydrophobicContact CE1-CE 4.48Å; F310-M351 HydrophobicContact CE1-SD 3.68Å; F310-A354 HydrophobicContact CE1-CB 3.84Å; F310-A354 HydrophobicContact CZ-CB 4.08Å; F310-M358 HydrophobicContact CE2-CE 4.22Å; F310-M358 HydrophobicContact CE2-SD 3.47Å; F310-M358 WeakPolarHBondContact CE2-SD 3.26Å; F310-M358 HydrophobicContact CZ-SD 3.4Å; F310-M358 WeakPolarHBondContact CZ-SD 3.31Å; F310-L391 HydrophobicContact CE1-CD1 4.1Å; F310-L391 HydrophobicContact CE1-CD2 4.43Å; F310-L391 HydrophobicContact CZ-CD1 4.25Å; F310-L391 HydrophobicContact CZ-CD2 3.84Å; F310-P416 HydrophobicContact CB-CG 4.45Å; F310-P416 HydrophobicContact CD1-CG 3.57Å; F310-P416 HydrophobicContact CD2-CB 3.98Å; F310-P416 HydrophobicContact CD2-CG 3.81Å; F310-P416 HydrophobicContact CE1-CG 3.68Å; F310-P416 HydrophobicContact CE2-CB 4.18Å; F310-P416 HydrophobicContact CE2-CG 3.9Å; F310-P416 HydrophobicContact CG-CB 4.2Å; F310-P416 HydrophobicContact CG-CG 3.66Å; F310-P416 HydrophobicContact CZ-CG 3.85Å
311	L	96.3	Very high	93.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-35.5	179.5	-74.2	174.9	0	0	0	112.1	L165 H307 L308 G315 F321 F347 M351 A354	L165-L311 HydrophobicContact CD1-CB 3.86Å; L165-L311 HydrophobicContact CD1-CD1 3.79Å; L165-L311 HydrophobicContact CD1-CG 4.48Å; L165-L311 HydrophobicContact CD2-CB 3.94Å; H307-L311 WeakPolarHBondContact O-CB 3.14Å; H307-L311 WeakPolarHBondContact O-CG 3.24Å; H307-L311 PolarHBondContact O-N 3.01Å; L308-L311 PolarHBondContact O-N 3.28Å; L311-G315 PolarHBondContact O-N 2.96Å; L311-F321 HydrophobicContact CD2-CZ 4.19Å; L311-F347 HydrophobicContact CD1-CD2 4.4Å; L311-F347 HydrophobicContact CD1-CE2 4.4Å; L311-M351 HydrophobicContact CD1-CE 4.02Å; L311-M351 HydrophobicContact CD1-SD 4.36Å; L311-M351 HydrophobicContact CD2-CE 4.38Å; L311-M351 HydrophobicContact CD2-CG 4.42Å; L311-M351 HydrophobicContact CD2-SD 3.8Å; L311-M351 HydrophobicContact CG-CE 3.99Å; L311-M351 HydrophobicContact CG-SD 4.08Å; L311-A354 HydrophobicContact CD2-CB 4.06Å
312	S	95.6	Very high	93.3	Very high	69 Å²	69	45.9 Å²	45.9	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-39.9	174.1	-171.6	0	0	0	0	112.2	L308 Q309 F310 S316	L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.2Å; Q309-S312 PolarHBondContact O-N 3.29Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 3.44Å; S312-S316 PolarHBondContact O-N 3.07Å; S312-S316 PolarHBondContact O-OG 3.38Å
313	A	94.5	Very high	93.4	Very high	50 Å²	50	47.8 Å²	47.8	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-72.8	-30.8	179.9	0	0	0	0	0	113.2	Q309 F310 S316 Q317	Q309-A313 WeakPolarHBondContact O-CB 2.83Å; Q309-A313 PolarHBondContact O-N 2.89Å; F310-A313 PolarHBondContact O-N 3.09Å; F310-A313 VanDerWaalsContact O-N 3.16Å; A313-S316 PolarHBondContact O-OG 3.41Å; A313-S316 VanDerWaalsContact O-OG 3.11Å; A313-Q317 WeakPolarHBondContact O-CG 3.49Å; A313-Q317 PolarHBondContact O-NE2 2.88Å
314	I	92.1	Very high	93.5	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.077	28%	0.282	C	S	.	.	H	α-helix	trans	-77.3	-42.5	170.9	-60.5	-61.4	0	0	0	110.7	F310 S316 Q317 F321 A354 L357 M358	F310-I314 HydrophobicContact CD2-CG1 4.41Å; F310-I314 HydrophobicContact CE1-CG1 4.34Å; F310-I314 HydrophobicContact CE2-CD1 4.34Å; F310-I314 HydrophobicContact CE2-CG1 3.94Å; F310-I314 HydrophobicContact CZ-CG1 3.88Å; F310-I314 WeakPolarHBondContact O-CG1 3.29Å; F310-I314 PolarHBondContact O-N 3.08Å; I314-S316 VanDerWaalsContact C-N 3.3Å; I314-S316 PolarHBondContact O-N 2.94Å; I314-Q317 WeakPolarHBondContact O-CB 3.42Å; I314-Q317 PolarHBondContact O-N 3Å; I314-F321 HydrophobicContact CG2-CE2 4.31Å; I314-A354 HydrophobicContact CB-CB 4.33Å; I314-A354 HydrophobicContact CG1-CB 4.36Å; I314-A354 HydrophobicContact CG2-CB 3.9Å; I314-L357 HydrophobicContact CG2-CB 4.41Å; I314-L357 HydrophobicContact CG2-CD1 3.83Å; I314-M358 HydrophobicContact CD1-CG 3.74Å; I314-M358 HydrophobicContact CD1-SD 3.89Å; I314-M358 HydrophobicContact CG1-SD 4.37Å
315	G	91.3	Very high	93.7	Very high	19 Å²	19	45.3 Å²	45.3	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-38.7	177	0	0	0	0	0	113.1	L311 Q317 C318	L311-G315 PolarHBondContact O-N 2.96Å; G315-Q317 PolarHBondContact O-N 2.86Å; G315-Q317 VanDerWaalsContact O-N 3.11Å; G315-C318 CarbonylContact O-C 3.6Å; G315-C318 PolarHBondContact O-N 2.83Å; G315-C318 VanDerWaalsContact O-O 3.05Å
316	S	91.9	Very high	93.9	Very high	101 Å²	101	43 Å²	43	71%	0.706	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.2	175.9	64.9	0	0	0	0	114.6	S312 A313 I314	S312-S316 PolarHBondContact O-N 3.07Å; S312-S316 PolarHBondContact O-OG 3.38Å; A313-S316 PolarHBondContact O-OG 3.41Å; A313-S316 VanDerWaalsContact O-OG 3.11Å; I314-S316 VanDerWaalsContact C-N 3.3Å; I314-S316 PolarHBondContact O-N 2.94Å
317	Q	90.9	Very high	94	Very high	120 Å²	120	40.8 Å²	40.8	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.3	177.2	-61.8	169.5	44.6	0	0	113.2	A313 I314 G315 N364	A313-Q317 WeakPolarHBondContact O-CG 3.49Å; A313-Q317 PolarHBondContact O-NE2 2.88Å; I314-Q317 WeakPolarHBondContact O-CB 3.42Å; I314-Q317 PolarHBondContact O-N 3Å; G315-Q317 PolarHBondContact O-N 2.86Å; G315-Q317 VanDerWaalsContact O-N 3.11Å; Q317-N364 VanDerWaalsContact O-CB 3.32Å; Q317-N364 WeakPolarHBondContact O-CB 3.49Å; Q317-N364 PolarHBondContact O-ND2 3.02Å
318	C	92.1	Very high	94	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	25%	0.246	C	C	.	.			trans	-138.4	106.7	-177.3	179.3	0	0	0	0	110.4	G315 A320 F321 L357 N364	G315-C318 CarbonylContact O-C 3.6Å; G315-C318 PolarHBondContact O-N 2.83Å; G315-C318 VanDerWaalsContact O-O 3.05Å; C318-A320 PolarHBondContact O-N 2.81Å; C318-F321 HydrophobicContact CB-CB 4.31Å; C318-F321 WeakPolarHBondContact O-CB 3.38Å; C318-F321 PolarHBondContact O-N 3.39Å; C318-L357 HydrophobicContact CB-CD1 4.05Å; C318-L357 HydrophobicContact CB-CD2 4.31Å; C318-N364 HydrophobicContact CB-CB 3.98Å; C318-N364 PolarHBondContact SG-O 3.2Å
319	S	90.6	Very high	94.1	Very high	118 Å²	118	39.5 Å²	39.5	83%	0.825	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.8	-175.2	50.5	0	0	0	0	114.3	F321	S319-F321 VanDerWaalsContact C-N 3.32Å
320	A	92.4	Very high	94.1	Very high	14 Å²	14	33.5 Å²	33.5	12%	0.116	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.3	177.3	0	0	0	0	0	114.1	C318 S322 D323 G324 M366 L371	C318-A320 PolarHBondContact O-N 2.81Å; A320-S322 PolarHBondContact O-N 3.48Å; A320-D323 PolarHBondContact O-N 3.44Å; A320-G324 PolarHBondContact O-N 2.94Å; A320-M366 WeakPolarHBondContact CB-O 3.06Å; A320-L371 HydrophobicContact CB-CD1 3.68Å; A320-L371 WeakPolarHBondContact O-CD1 3.16Å
321	F	94.3	Very high	94.1	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.039	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-44.4	-176.2	-177.2	-91.4	0	0	0	112.9	L311 I314 C318 S319 D323 V325 L353 A354 L357	L311-F321 HydrophobicContact CD2-CZ 4.19Å; I314-F321 HydrophobicContact CG2-CE2 4.31Å; C318-F321 HydrophobicContact CB-CB 4.31Å; C318-F321 WeakPolarHBondContact O-CB 3.38Å; C318-F321 PolarHBondContact O-N 3.39Å; S319-F321 VanDerWaalsContact C-N 3.32Å; F321-D323 VanDerWaalsContact C-N 3.26Å; F321-D323 PolarHBondContact O-N 2.79Å; F321-V325 HydrophobicContact CD1-CG2 4.29Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.08Å; F321-V325 WeakPolarHBondContact O-CB 3.26Å; F321-V325 VanDerWaalsContact O-CG2 3.31Å; F321-V325 WeakPolarHBondContact O-CG2 3.26Å; F321-V325 PolarHBondContact O-N 3.42Å; F321-L353 HydrophobicContact CD2-CD2 3.66Å; F321-L353 HydrophobicContact CD2-CG 4.11Å; F321-L353 HydrophobicContact CE2-CB 3.94Å; F321-L353 HydrophobicContact CE2-CD2 3.88Å; F321-L353 HydrophobicContact CE2-CG 4.02Å; F321-L353 HydrophobicContact CG-CD2 4.29Å; F321-A354 HydrophobicContact CE2-CB 4.39Å; F321-L357 HydrophobicContact CD2-CD1 3.76Å; F321-L357 HydrophobicContact CE2-CD1 4.19Å
322	S	94.1	Very high	94.1	Very high	37 Å²	37	31.6 Å²	31.6	26%	0.259	21%	0.205	S	C	.	.	H	α-helix	trans	-57.6	-42.9	178.7	48.5	0	0	0	0	112.1	A320 V325 A326	A320-S322 PolarHBondContact O-N 3.48Å; S322-V325 PolarHBondContact O-N 3.03Å; S322-A326 WeakPolarHBondContact O-CB 3.31Å; S322-A326 PolarHBondContact O-N 2.98Å
323	D	94.9	Very high	94.1	Very high	67 Å²	67	31.6 Å²	31.6	36%	0.358	20%	0.197	S	C	.	.	H	α-helix	trans	-81.2	-39.1	-170.1	-64.8	17.5	0	0	0	110.3	L89 A320 F321 V325 A326 L327 A368	L89-D323 HydrophobicContact CD1-CB 3.86Å; L89-D323 HydrophobicContact CD2-CB 3.96Å; A320-D323 PolarHBondContact O-N 3.44Å; F321-D323 VanDerWaalsContact C-N 3.26Å; F321-D323 PolarHBondContact O-N 2.79Å; D323-V325 VanDerWaalsContact C-N 3.33Å; D323-V325 PolarHBondContact O-N 3.18Å; D323-A326 PolarHBondContact O-N 3.35Å; D323-L327 WeakPolarHBondContact O-CG 3.39Å; D323-L327 PolarHBondContact O-N 3.43Å; D323-A368 HydrophobicContact CB-CB 3.67Å
324	G	94.9	Very high	94.1	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-41.2	169.6	0	0	0	0	0	112.3	A320 L328	A320-G324 PolarHBondContact O-N 2.94Å; G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 3.41Å
325	V	95.9	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-41.4	172.6	168.5	0	0	0	0	111.5	T167 F321 S322 D323 L328 K329 S350 L353	T167-V325 HydrophobicContact CG2-CB 4.11Å; T167-V325 HydrophobicContact CG2-CG1 3.89Å; F321-V325 HydrophobicContact CD1-CG2 4.29Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.08Å; F321-V325 WeakPolarHBondContact O-CB 3.26Å; F321-V325 VanDerWaalsContact O-CG2 3.31Å; F321-V325 WeakPolarHBondContact O-CG2 3.26Å; F321-V325 PolarHBondContact O-N 3.42Å; S322-V325 PolarHBondContact O-N 3.03Å; D323-V325 VanDerWaalsContact C-N 3.33Å; D323-V325 PolarHBondContact O-N 3.18Å; V325-L328 PolarHBondContact O-N 3.16Å; V325-K329 HydrophobicContact CG1-CD 4.02Å; V325-K329 VanDerWaalsContact CG1-CE 3.45Å; V325-K329 HydrophobicContact CG1-CG 4.45Å; V325-K329 WeakPolarHBondContact O-CB 3.47Å; V325-K329 VanDerWaalsContact O-CG 3.31Å; V325-K329 WeakPolarHBondContact O-CG 3.25Å; V325-K329 PolarHBondContact O-N 3.4Å; V325-S350 WeakPolarHBondContact CG1-OG 3.35Å; V325-L353 HydrophobicContact CG2-CB 4.4Å; V325-L353 HydrophobicContact CG2-CD2 3.75Å
326	A	95.5	Very high	94.3	Very high	9 Å²	9	34.3 Å²	34.3	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-45.6	177.7	0	0	0	0	0	112.1	L89 V169 S322 D323 L328 K329 V330	L89-A326 HydrophobicContact CD2-CB 3.82Å; V169-A326 HydrophobicContact CG1-CB 3.86Å; S322-A326 WeakPolarHBondContact O-CB 3.31Å; S322-A326 PolarHBondContact O-N 2.98Å; D323-A326 PolarHBondContact O-N 3.35Å; A326-L328 PolarHBondContact O-N 3.31Å; A326-K329 WeakPolarHBondContact O-CB 3.42Å; A326-K329 PolarHBondContact O-N 2.98Å; A326-V330 WeakPolarHBondContact O-CG2 3.23Å; A326-V330 PolarHBondContact O-N 2.87Å
327	L	95.4	Very high	94.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.1	-69.9	176.3	0	0	0	112.2	M85 L88 L89 D323 V330 W331 A368 L372 L457	M85-L327 HydrophobicContact CB-CD1 4.45Å; M85-L327 HydrophobicContact CB-CD2 4.38Å; M85-L327 HydrophobicContact CG-CD1 4.37Å; M85-L327 HydrophobicContact CG-CD2 4.26Å; M85-L327 HydrophobicContact SD-CD1 3.83Å; L88-L327 HydrophobicContact CD2-CD2 4.02Å; L89-L327 HydrophobicContact CD2-CD2 4.37Å; L89-L327 HydrophobicContact CD2-CG 4.24Å; L89-L327 HydrophobicContact CG-CD2 4.24Å; L89-L327 HydrophobicContact CG-CG 4.45Å; D323-L327 WeakPolarHBondContact O-CG 3.39Å; D323-L327 PolarHBondContact O-N 3.43Å; L327-V330 PolarHBondContact O-N 3.38Å; L327-W331 PolarHBondContact O-N 3.03Å; L327-A368 HydrophobicContact CD1-CB 3.84Å; L327-L372 HydrophobicContact CB-CB 4.48Å; L327-L372 HydrophobicContact CB-CD1 4.48Å; L327-L372 HydrophobicContact CB-CD2 4.27Å; L327-L457 HydrophobicContact CD2-CD1 4.3Å
328	L	96.4	Very high	94.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-38.2	176.5	-176.3	55.7	0	0	0	111.8	G324 V325 A326 W331 L332 A349 L372 L376	G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 3.41Å; V325-L328 PolarHBondContact O-N 3.16Å; A326-L328 PolarHBondContact O-N 3.31Å; L328-W331 HydrophobicContact CD1-CE3 4.04Å; L328-W331 PolarHBondContact O-N 2.84Å; L328-L332 HydrophobicContact CG-CD1 4.2Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 VanDerWaalsContact O-CG 3.25Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.99Å; L328-A349 HydrophobicContact CD2-CB 3.83Å; L328-A349 HydrophobicContact CG-CB 4.03Å; L328-L372 HydrophobicContact CB-CD1 4.11Å; L328-L372 HydrophobicContact CD1-CD1 4.07Å; L328-L376 HydrophobicContact CD1-CD2 4.25Å
329	K	95.9	Very high	94.4	Very high	14 Å²	14	29.5 Å²	29.5	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-43.4	171.3	-75	170.9	-178	179.5	0	111.9	S162 T167 V169 V325 A326 L332 H333 G346	S162-K329 PolarHBondContact OG-NZ 2.96Å; T167-K329 VanDerWaalsContact CB-NZ 3.33Å; T167-K329 PolarHBondContact O-NZ 2.9Å; T167-K329 PolarHBondContact OG1-NZ 3.05Å; V169-K329 HydrophobicContact CG2-CB 4.17Å; V169-K329 HydrophobicContact CG2-CD 4.34Å; V325-K329 HydrophobicContact CG1-CD 4.02Å; V325-K329 VanDerWaalsContact CG1-CE 3.45Å; V325-K329 HydrophobicContact CG1-CG 4.45Å; V325-K329 WeakPolarHBondContact O-CB 3.47Å; V325-K329 VanDerWaalsContact O-CG 3.31Å; V325-K329 WeakPolarHBondContact O-CG 3.25Å; V325-K329 PolarHBondContact O-N 3.4Å; A326-K329 WeakPolarHBondContact O-CB 3.42Å; A326-K329 PolarHBondContact O-N 2.98Å; K329-L332 PolarHBondContact O-N 3.46Å; K329-H333 WeakPolarHBondContact O-CB 3.37Å; K329-H333 PolarHBondContact O-N 3.27Å; K329-G346 VanDerWaalsContact CE-O 3.24Å; K329-G346 WeakPolarHBondContact CE-O 3.44Å
330	V	95.6	Very high	94.3	Very high	14 Å²	14	24 Å²	24	9%	0.085	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-47.4	174.6	174.1	0	0	0	0	111	L88 V92 A326 L327 L332 H333 Q334 L457	L88-V330 HydrophobicContact CD2-CG1 4.4Å; V92-V330 HydrophobicContact CG1-CG2 4.03Å; V92-V330 HydrophobicContact CG2-CG2 4.43Å; A326-V330 WeakPolarHBondContact O-CG2 3.23Å; A326-V330 PolarHBondContact O-N 2.87Å; L327-V330 PolarHBondContact O-N 3.38Å; V330-L332 VanDerWaalsContact C-N 3.31Å; V330-L332 PolarHBondContact O-N 2.97Å; V330-H333 PolarHBondContact O-N 3.47Å; V330-Q334 HydrophobicContact CG1-CG 4.33Å; V330-Q334 WeakPolarHBondContact O-CG 3.37Å; V330-Q334 PolarHBondContact O-N 3.04Å; V330-L457 HydrophobicContact CB-CD2 4.47Å; V330-L457 HydrophobicContact CG1-CB 4.31Å; V330-L457 HydrophobicContact CG1-CD2 4.14Å; V330-L457 WeakPolarHBondContact CG1-O 3.45Å
331	W	96.1	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-39.9	178.7	179	94	0	0	0	112.9	L327 L328 R335 L372 L376 L434 E437 A438 S441 L457	L327-W331 PolarHBondContact O-N 3.03Å; L328-W331 HydrophobicContact CD1-CE3 4.04Å; L328-W331 PolarHBondContact O-N 2.84Å; W331-R335 VanDerWaalsContact CD1-NH1 3.26Å; W331-R335 VanDerWaalsContact CE2-CZ 3.48Å; W331-R335 WeakPolarHBondContact O-CD 3.49Å; W331-R335 PolarHBondContact O-NH1 3.42Å; W331-L372 HydrophobicContact CB-CD1 4.33Å; W331-L376 HydrophobicContact CD2-CD2 3.59Å; W331-L376 VanDerWaalsContact CE2-CD2 3.43Å; W331-L376 HydrophobicContact CE3-CD2 3.84Å; W331-L376 HydrophobicContact CG-CD2 4.21Å; W331-L376 HydrophobicContact CH2-CD2 3.88Å; W331-L376 HydrophobicContact CZ2-CD2 3.61Å; W331-L376 HydrophobicContact CZ3-CD2 3.98Å; W331-L434 HydrophobicContact CH2-CD1 4.04Å; W331-L434 HydrophobicContact CZ3-CD1 3.69Å; W331-E437 HydrophobicContact CH2-CB 3.97Å; W331-E437 HydrophobicContact CZ2-CB 4Å; W331-A438 HydrophobicContact CH2-CB 4.22Å; W331-A438 HydrophobicContact CZ2-CB 4.36Å; W331-S441 WeakPolarHBondContact CZ2-OG 3.3Å; W331-S441 PolarHBondContact NE1-OG 3.46Å; W331-L457 HydrophobicContact CB-CD2 3.96Å
332	L	96.1	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-44.4	174.4	-71.2	160.5	0	0	0	112.2	L328 K329 V330 Q334 R335 E336 L337 D338 F344 A349 L434	L328-L332 HydrophobicContact CG-CD1 4.2Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 VanDerWaalsContact O-CG 3.25Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.99Å; K329-L332 PolarHBondContact O-N 3.46Å; V330-L332 VanDerWaalsContact C-N 3.31Å; V330-L332 PolarHBondContact O-N 2.97Å; L332-Q334 PolarHBondContact O-N 2.89Å; L332-R335 CarbonylContact O-C 3.58Å; L332-R335 PolarHBondContact O-N 2.88Å; L332-E336 PolarHBondContact O-N 3.09Å; L332-L337 HydrophobicContact CD2-CB 4.06Å; L332-L337 PolarHBondContact O-N 2.95Å; L332-L337 VanDerWaalsContact O-N 3.14Å; L332-D338 HydrophobicContact CB-CB 4.01Å; L332-F344 HydrophobicContact CD1-CD1 3.79Å; L332-F344 HydrophobicContact CD1-CE1 4.26Å; L332-F344 WeakPolarHBondContact CD1-O 3.44Å; L332-F344 HydrophobicContact CD2-CB 4.24Å; L332-F344 HydrophobicContact CD2-CD1 3.69Å; L332-F344 HydrophobicContact CD2-CG 4.37Å; L332-F344 HydrophobicContact CG-CD1 4.4Å; L332-A349 HydrophobicContact CD1-CB 3.92Å; L332-L434 HydrophobicContact CD2-CD1 3.69Å
333	H	94.9	Very high	93.8	Very high	69 Å²	69	22.4 Å²	22.4	32%	0.319	12%	0.116	S	C	.	.	H	α-helix	trans	-63.4	-41.5	-179.1	-172.9	62.5	0	0	0	112.3	K329 V330 R335 E336 D338	K329-H333 WeakPolarHBondContact O-CB 3.37Å; K329-H333 PolarHBondContact O-N 3.27Å; V330-H333 PolarHBondContact O-N 3.47Å; H333-R335 PolarHBondContact O-N 3.2Å; H333-E336 PolarHBondContact O-N 3.13Å; H333-E336 VanDerWaalsContact O-N 3.15Å; H333-D338 WeakPolarHBondContact CA-OD1 3.47Å; H333-D338 IonicContact CE1-OD2 2.79Å; H333-D338 IonicContact CG-OD2 3.72Å; H333-D338 IonicContact ND1-OD1 2.79Å; H333-D338 PolarHBondContact ND1-OD1 2.92Å; H333-D338 IonicContact ND1-OD2 3.95Å; H333-D338 PolarHBondContact ND1-OD2 3.34Å
334	Q	94.5	Very high	93.9	Very high	29 Å²	29	19.3 Å²	19.3	14%	0.136	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-7	173.9	-63.7	-64.4	3.9	0	0	113.8	V330 L332 L457 P460 K461	V330-Q334 HydrophobicContact CG1-CG 4.33Å; V330-Q334 WeakPolarHBondContact O-CG 3.37Å; V330-Q334 PolarHBondContact O-N 3.04Å; L332-Q334 PolarHBondContact O-N 2.89Å; Q334-L457 WeakPolarHBondContact CG-O 3.33Å; Q334-L457 PolarHBondContact NE2-O 3.05Å; Q334-P460 CarbonylContact O-C 3.52Å; Q334-P460 VanDerWaalsContact OE1-CA 3.23Å; Q334-P460 VanDerWaalsContact OE1-N 3.09Å; Q334-K461 WeakPolarHBondContact O-CB 3.44Å; Q334-K461 PolarHBondContact O-N 3.39Å
335	R	93.8	Very high	93.8	Very high	6 Å²	6	20 Å²	20	2%	0.023	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	5.9	-179.2	-71.6	162.3	179	74.4	3.2	113.8	W331 L332 H333 L337 E437 S441 L456 K461	W331-R335 VanDerWaalsContact CD1-NH1 3.26Å; W331-R335 VanDerWaalsContact CE2-CZ 3.48Å; W331-R335 WeakPolarHBondContact O-CD 3.49Å; W331-R335 PolarHBondContact O-NH1 3.42Å; L332-R335 CarbonylContact O-C 3.58Å; L332-R335 PolarHBondContact O-N 2.88Å; H333-R335 PolarHBondContact O-N 3.2Å; R335-L337 HydrophobicContact CB-CB 4.5Å; R335-L337 HydrophobicContact CB-CD1 4.02Å; R335-L337 HydrophobicContact CB-CG 4.05Å; R335-L337 PolarHBondContact O-N 3.28Å; R335-E437 WeakPolarHBondContact CD-OE2 3.36Å; R335-E437 HydrophobicContact CG-CG 4.43Å; R335-E437 IonicContact CZ-OE2 3.29Å; R335-E437 IonicContact NE-OE2 3.29Å; R335-E437 PolarHBondContact NE-OE2 3.38Å; R335-S441 PolarHBondContact NH2-OG 2.89Å; R335-S441 VanDerWaalsContact NH2-OG 3.08Å; R335-L456 PolarHBondContact NH1-O 3.36Å; R335-L456 VanDerWaalsContact NH2-CD2 3.31Å; R335-K461 HydrophobicContact CG-CD 4.38Å
336	E	93.5	Very high	93.7	Very high	107 Å²	107	20.8 Å²	20.8	50%	0.5	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	29.4	-174.8	-53	-178.4	149.6	0	0	113	L332 H333 P462 M463	L332-E336 PolarHBondContact O-N 3.09Å; H333-E336 PolarHBondContact O-N 3.13Å; H333-E336 VanDerWaalsContact O-N 3.15Å; E336-P462 VanDerWaalsContact CD-CA 3.45Å; E336-P462 WeakPolarHBondContact OE1-CB 3.35Å; E336-P462 VanDerWaalsContact OE2-CA 3.25Å; E336-P462 WeakPolarHBondContact OE2-CA 3.4Å; E336-M463 PolarHBondContact OE2-N 3.43Å; E336-M463 VanDerWaalsContact OE2-N 3.13Å
337	L	94.6	Very high	93.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.121	C	C	.	.			trans	-102.1	-6.2	-176.8	-72.4	178.1	0	0	0	114.3	L332 R335 C343 F344 Q433 L434 L526	L332-L337 HydrophobicContact CD2-CB 4.06Å; L332-L337 PolarHBondContact O-N 2.95Å; L332-L337 VanDerWaalsContact O-N 3.14Å; R335-L337 HydrophobicContact CB-CB 4.5Å; R335-L337 HydrophobicContact CB-CD1 4.02Å; R335-L337 HydrophobicContact CB-CG 4.05Å; R335-L337 PolarHBondContact O-N 3.28Å; L337-C343 WeakPolarHBondContact O-CB 3.35Å; L337-F344 CarbonylContact O-C 3.59Å; L337-F344 PolarHBondContact O-N 2.95Å; L337-Q433 HydrophobicContact CD2-CG 4.2Å; L337-L434 HydrophobicContact CD1-CB 4.46Å; L337-L434 HydrophobicContact CD1-CD1 3.96Å; L337-L526 HydrophobicContact CD2-CD1 4.32Å
338	D	92.6	Very high	93.7	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.171	12%	0.122	C	C	.	.	S	Bend	trans	-88.1	-13.4	-173.5	66.1	-46.2	0	0	0	114.8	L332 H333 N345	L332-D338 HydrophobicContact CB-CB 4.01Å; H333-D338 WeakPolarHBondContact CA-OD1 3.47Å; H333-D338 IonicContact CE1-OD2 2.79Å; H333-D338 IonicContact CG-OD2 3.72Å; H333-D338 IonicContact ND1-OD1 2.79Å; H333-D338 PolarHBondContact ND1-OD1 2.92Å; H333-D338 IonicContact ND1-OD2 3.95Å; H333-D338 PolarHBondContact ND1-OD2 3.34Å; D338-N345 WeakPolarHBondContact O-CA 3.49Å
339	Q	90.1	Very high	93.7	Very high	88 Å²	88	23.7 Å²	23.7	41%	0.411	12%	0.122	S	C	.	.	S	Bend	trans	-137.8	155.9	-167.1	-75.2	173.4	64.1	0	0	113.9	C343 L526	Q339-C343 VanDerWaalsContact C-CB 3.48Å; Q339-C343 VanDerWaalsContact C-SG 3.59Å; Q339-C343 VanDerWaalsContact O-CB 3.25Å; Q339-C343 WeakPolarHBondContact O-CB 3.49Å; Q339-L526 WeakPolarHBondContact O-CB 3.49Å
340	G	88.9	Confident	93.8	Very high	4 Å²	4	23.1 Å²	23.1	4%	0.041	12%	0.12	C	C	.	.	S	Bend	trans	92.2	179.7	178.1	0	0	0	0	0	114.6	G342 C343 P527	G340-G342 PolarHBondContact O-N 3.4Å; G340-C343 WeakPolarHBondContact O-CB 3.3Å; G340-C343 PolarHBondContact O-N 3.4Å; G340-C343 PolarHBondContact O-SG 3.07Å; G340-P527 CarbonylContact C-O 3.58Å; G340-P527 WeakPolarHBondContact CA-O 3.48Å
341	A	87.8	Confident	93.9	Very high	9 Å²	9	22.5 Å²	22.5	7%	0.074	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	126.1	-177.9	0	0	0	0	0	112	H226 P527	H226-A341 WeakPolarHBondContact O-CA 3.39Å; H226-A341 WeakPolarHBondContact O-CB 3.39Å; A341-P527 PolarHBondContact N-O 2.97Å
342	G	89.6	Confident	93.9	Very high	8 Å²	8	22.6 Å²	22.6	8%	0.082	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	13.3	179.6	0	0	0	0	0	115.8	G340 D425	G340-G342 PolarHBondContact O-N 3.4Å; G342-D425 WeakPolarHBondContact CA-O 3.49Å
343	C	93.7	Very high	93.9	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.054	12%	0.116	C	C	.	.			trans	-72.1	160.9	-178.6	68.3	0	0	0	0	114.4	L337 Q339 G340 N345 M426 L526	L337-C343 WeakPolarHBondContact O-CB 3.35Å; Q339-C343 VanDerWaalsContact C-CB 3.48Å; Q339-C343 VanDerWaalsContact C-SG 3.59Å; Q339-C343 VanDerWaalsContact O-CB 3.25Å; Q339-C343 WeakPolarHBondContact O-CB 3.49Å; G340-C343 WeakPolarHBondContact O-CB 3.3Å; G340-C343 PolarHBondContact O-N 3.4Å; G340-C343 PolarHBondContact O-SG 3.07Å; C343-N345 VanDerWaalsContact C-N 3.33Å; C343-N345 PolarHBondContact O-N 3.17Å; C343-M426 VanDerWaalsContact O-CE 3.29Å; C343-M426 WeakPolarHBondContact O-CE 3.36Å; C343-L526 HydrophobicContact CB-CD1 3.76Å
344	F	95.8	Very high	94	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.013	10%	0.101	C	C	.	.			trans	-89	75.8	169	-165.7	-86.3	0	0	0	108.9	L332 L337 L348 A349 L352 M426 L434	L332-F344 HydrophobicContact CD1-CD1 3.79Å; L332-F344 HydrophobicContact CD1-CE1 4.26Å; L332-F344 WeakPolarHBondContact CD1-O 3.44Å; L332-F344 HydrophobicContact CD2-CB 4.24Å; L332-F344 HydrophobicContact CD2-CD1 3.69Å; L332-F344 HydrophobicContact CD2-CG 4.37Å; L332-F344 HydrophobicContact CG-CD1 4.4Å; L337-F344 CarbonylContact O-C 3.59Å; L337-F344 PolarHBondContact O-N 2.95Å; F344-L348 HydrophobicContact CD1-CB 4.38Å; F344-L348 HydrophobicContact CD2-CB 4.13Å; F344-L348 HydrophobicContact CD2-CD1 4.26Å; F344-L348 HydrophobicContact CE1-CB 4.21Å; F344-L348 HydrophobicContact CE2-CB 3.94Å; F344-L348 HydrophobicContact CG-CB 4.35Å; F344-L348 HydrophobicContact CZ-CB 3.97Å; F344-A349 HydrophobicContact CE1-CB 4.1Å; F344-L352 HydrophobicContact CE1-CD2 4.49Å; F344-L352 HydrophobicContact CZ-CB 4.2Å; F344-L352 HydrophobicContact CZ-CD2 3.9Å; F344-M426 HydrophobicContact CB-CE 3.99Å; F344-M426 HydrophobicContact CD2-CE 3.95Å; F344-M426 HydrophobicContact CD2-SD 4.49Å; F344-M426 HydrophobicContact CG-CE 4.44Å; F344-L434 HydrophobicContact CB-CD1 4.41Å; F344-L434 HydrophobicContact CB-CD2 4Å; F344-L434 HydrophobicContact CD1-CD1 4.49Å; F344-L434 HydrophobicContact CD1-CD2 4.2Å; F344-L434 HydrophobicContact CD2-CD2 3.4Å; F344-L434 HydrophobicContact CE2-CD2 3.89Å; F344-L434 HydrophobicContact CG-CD1 4.37Å; F344-L434 HydrophobicContact CG-CD2 3.59Å; F344-L434 HydrophobicContact CZ-CD2 4.47Å
345	N	92.6	Very high	94.1	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.091	10%	0.101	C	C	.	.			trans	-67.5	171.5	-173.3	68.9	25.1	0	0	0	114	H226 D338 C343 F347 L348 A349	H226-N345 PolarHBondContact CE1-ND2 2.72Å; H226-N345 VanDerWaalsContact CE1-ND2 3.29Å; H226-N345 PolarHBondContact NE2-ND2 3.35Å; D338-N345 WeakPolarHBondContact O-CA 3.49Å; C343-N345 VanDerWaalsContact C-N 3.33Å; C343-N345 PolarHBondContact O-N 3.17Å; N345-F347 PolarHBondContact O-N 3.49Å; N345-F347 VanDerWaalsContact O-N 3.12Å; N345-F347 WeakPolarHBondContact OD1-CA 3.45Å; N345-F347 WeakPolarHBondContact OD1-CB 3.4Å; N345-F347 PolarHBondContact OD1-N 3.48Å; N345-L348 PolarHBondContact O-N 2.94Å; N345-L348 VanDerWaalsContact O-N 3.16Å; N345-L348 PolarHBondContact OD1-N 3.4Å; N345-A349 PolarHBondContact O-N 3.47Å
346	G	93.4	Very high	94.2	Very high	16 Å²	16	19.3 Å²	19.3	17%	0.165	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-15.5	177.1	0	0	0	0	0	116.2	K329 S350	K329-G346 VanDerWaalsContact CE-O 3.24Å; K329-G346 WeakPolarHBondContact CE-O 3.44Å; G346-S350 PolarHBondContact O-N 3.4Å; G346-S350 PolarHBondContact O-OG 2.97Å
347	F	94.9	Very high	94.3	Very high	68 Å²	68	15.1 Å²	15.1	30%	0.298	8%	0.081	S	C	.	.	H	α-helix	trans	-80.2	-45.4	172.7	164.9	-92	0	0	0	110.9	H307 L311 N345 A349 S350 M351 M422	H307-F347 HydrophobicContact CB-CE2 4Å; H307-F347 HydrophobicContact CB-CZ 4.31Å; H307-F347 AromaticContact ND1-CZ 3.66Å; L311-F347 HydrophobicContact CD1-CD2 4.4Å; L311-F347 HydrophobicContact CD1-CE2 4.4Å; N345-F347 PolarHBondContact O-N 3.49Å; N345-F347 VanDerWaalsContact O-N 3.12Å; N345-F347 WeakPolarHBondContact OD1-CA 3.45Å; N345-F347 WeakPolarHBondContact OD1-CB 3.4Å; N345-F347 PolarHBondContact OD1-N 3.48Å; F347-A349 VanDerWaalsContact C-N 3.28Å; F347-A349 PolarHBondContact O-N 3.13Å; F347-S350 WeakPolarHBondContact O-CB 3.42Å; F347-S350 PolarHBondContact O-N 3.44Å; F347-M351 HydrophobicContact CE1-CG 4.12Å; F347-M351 HydrophobicContact CE2-CE 3.63Å; F347-M351 HydrophobicContact CE2-CG 4.24Å; F347-M351 HydrophobicContact CZ-CE 3.56Å; F347-M351 HydrophobicContact CZ-CG 3.96Å; F347-M351 PolarHBondContact O-N 3.1Å; F347-M422 HydrophobicContact CE1-CG 4.39Å; F347-M422 HydrophobicContact CE1-SD 3.78Å; F347-M422 HydrophobicContact CZ-SD 4.04Å
348	L	96.8	Very high	94.2	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-37.6	172.4	-69.8	173.5	0	0	0	111.5	F344 N345 S350 M351 L352 F413 M422 M426	F344-L348 HydrophobicContact CD1-CB 4.38Å; F344-L348 HydrophobicContact CD2-CB 4.13Å; F344-L348 HydrophobicContact CD2-CD1 4.26Å; F344-L348 HydrophobicContact CE1-CB 4.21Å; F344-L348 HydrophobicContact CE2-CB 3.94Å; F344-L348 HydrophobicContact CG-CB 4.35Å; F344-L348 HydrophobicContact CZ-CB 3.97Å; N345-L348 PolarHBondContact O-N 2.94Å; N345-L348 VanDerWaalsContact O-N 3.16Å; N345-L348 PolarHBondContact OD1-N 3.4Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.34Å; L348-M351 PolarHBondContact O-N 3.1Å; L348-L352 VanDerWaalsContact O-CB 3.3Å; L348-L352 WeakPolarHBondContact O-CB 3.48Å; L348-L352 PolarHBondContact O-N 2.99Å; L348-F413 HydrophobicContact CD2-CD1 4.21Å; L348-M422 HydrophobicContact CD2-CB 3.6Å; L348-M426 HydrophobicContact CD1-CE 3.72Å
349	A	96.9	Very high	94.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.1	-41.3	170.7	0	0	0	0	0	113	L328 L332 F344 N345 F347 L353	L328-A349 HydrophobicContact CD2-CB 3.83Å; L328-A349 HydrophobicContact CG-CB 4.03Å; L332-A349 HydrophobicContact CD1-CB 3.92Å; F344-A349 HydrophobicContact CE1-CB 4.1Å; N345-A349 PolarHBondContact O-N 3.47Å; F347-A349 VanDerWaalsContact C-N 3.28Å; F347-A349 PolarHBondContact O-N 3.13Å; A349-L353 PolarHBondContact O-N 3.49Å
350	S	97	Very high	94.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-43.2	177.8	-53.5	0	0	0	0	111.8	V325 G346 F347 L348 L353 A354	V325-S350 WeakPolarHBondContact CG1-OG 3.35Å; G346-S350 PolarHBondContact O-N 3.4Å; G346-S350 PolarHBondContact O-OG 2.97Å; F347-S350 WeakPolarHBondContact O-CB 3.42Å; F347-S350 PolarHBondContact O-N 3.44Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.34Å; S350-L353 PolarHBondContact O-N 3.21Å; S350-A354 PolarHBondContact O-N 2.91Å; S350-A354 VanDerWaalsContact O-N 3.09Å
351	M	97.6	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-37.5	176.8	-73.7	-65.6	-172.1	0	0	112.5	H307 F310 L311 F347 L348 A354 Y355 L391 F413 P416 M422	H307-M351 HydrophobicContact CB-CE 3.61Å; F310-M351 HydrophobicContact CD1-CE 4.08Å; F310-M351 HydrophobicContact CD1-SD 3.87Å; F310-M351 HydrophobicContact CE1-CE 4.48Å; F310-M351 HydrophobicContact CE1-SD 3.68Å; L311-M351 HydrophobicContact CD1-CE 4.02Å; L311-M351 HydrophobicContact CD1-SD 4.36Å; L311-M351 HydrophobicContact CD2-CE 4.38Å; L311-M351 HydrophobicContact CD2-CG 4.42Å; L311-M351 HydrophobicContact CD2-SD 3.8Å; L311-M351 HydrophobicContact CG-CE 3.99Å; L311-M351 HydrophobicContact CG-SD 4.08Å; F347-M351 HydrophobicContact CE1-CG 4.12Å; F347-M351 HydrophobicContact CE2-CE 3.63Å; F347-M351 HydrophobicContact CE2-CG 4.24Å; F347-M351 HydrophobicContact CZ-CE 3.56Å; F347-M351 HydrophobicContact CZ-CG 3.96Å; F347-M351 PolarHBondContact O-N 3.1Å; L348-M351 PolarHBondContact O-N 3.1Å; M351-A354 PolarHBondContact O-N 2.95Å; M351-Y355 WeakPolarHBondContact O-CB 3.48Å; M351-Y355 PolarHBondContact O-N 3.04Å; M351-L391 HydrophobicContact CB-CD1 4.13Å; M351-L391 HydrophobicContact CG-CD1 4.43Å; M351-L391 HydrophobicContact SD-CD1 3.64Å; M351-F413 HydrophobicContact CB-CE1 4.07Å; M351-F413 HydrophobicContact CB-CZ 3.89Å; M351-P416 HydrophobicContact SD-CG 4.5Å; M351-M422 HydrophobicContact CB-CE 3.92Å; M351-M422 HydrophobicContact CB-SD 4.31Å; M351-M422 HydrophobicContact CE-SD 4.4Å; M351-M422 HydrophobicContact CG-CE 4.08Å; M351-M422 HydrophobicContact CG-SD 3.82Å; M351-M422 HydrophobicContact SD-SD 4.36Å
352	L	97.4	Very high	94.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-47.2	174.3	174.9	61.7	0	0	0	111.1	F344 L348 A354 Y355 L356 F378 L379 F413	F344-L352 HydrophobicContact CE1-CD2 4.49Å; F344-L352 HydrophobicContact CZ-CB 4.2Å; F344-L352 HydrophobicContact CZ-CD2 3.9Å; L348-L352 VanDerWaalsContact O-CB 3.3Å; L348-L352 WeakPolarHBondContact O-CB 3.48Å; L348-L352 PolarHBondContact O-N 2.99Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 3.3Å; L352-Y355 WeakPolarHBondContact O-CB 3.39Å; L352-Y355 PolarHBondContact O-N 3.08Å; L352-L356 HydrophobicContact CD1-CD1 4.23Å; L352-L356 HydrophobicContact CD1-CG 4.23Å; L352-L356 HydrophobicContact CG-CD1 4.2Å; L352-L356 WeakPolarHBondContact O-CG 3.48Å; L352-L356 PolarHBondContact O-N 2.7Å; L352-F378 HydrophobicContact CD1-CD1 3.66Å; L352-F378 HydrophobicContact CD1-CE1 3.52Å; L352-F378 HydrophobicContact CD1-CZ 4.35Å; L352-L379 HydrophobicContact CD2-CD1 4.01Å; L352-L379 HydrophobicContact CD2-CD2 3.93Å; L352-L379 HydrophobicContact CD2-CG 3.93Å; L352-F413 HydrophobicContact CB-CE1 4.21Å
353	L	96.4	Very high	94.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-37	179.5	-163.1	69.3	0	0	0	111.6	F321 V325 A349 S350 L356 L357 I362 L371 S375	F321-L353 HydrophobicContact CD2-CD2 3.66Å; F321-L353 HydrophobicContact CD2-CG 4.11Å; F321-L353 HydrophobicContact CE2-CB 3.94Å; F321-L353 HydrophobicContact CE2-CD2 3.88Å; F321-L353 HydrophobicContact CE2-CG 4.02Å; F321-L353 HydrophobicContact CG-CD2 4.29Å; V325-L353 HydrophobicContact CG2-CB 4.4Å; V325-L353 HydrophobicContact CG2-CD2 3.75Å; A349-L353 PolarHBondContact O-N 3.49Å; S350-L353 PolarHBondContact O-N 3.21Å; L353-L356 PolarHBondContact O-N 2.79Å; L353-L357 PolarHBondContact O-N 3.21Å; L353-L357 VanDerWaalsContact O-N 3.07Å; L353-I362 HydrophobicContact CD1-CD1 3.47Å; L353-I362 VanDerWaalsContact CD1-CD1 3.47Å; L353-I362 HydrophobicContact CG-CD1 4.16Å; L353-L371 HydrophobicContact CD1-CB 4.08Å; L353-L371 HydrophobicContact CD1-CD2 4.27Å; L353-L371 HydrophobicContact CD2-CD1 4.49Å; L353-S375 WeakPolarHBondContact CD1-OG 3.3Å
354	A	96.2	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-41.6	172.6	0	0	0	0	0	112.7	F310 L311 I314 F321 S350 M351 L352 L356 L357 M358	F310-A354 HydrophobicContact CE1-CB 3.84Å; F310-A354 HydrophobicContact CZ-CB 4.08Å; L311-A354 HydrophobicContact CD2-CB 4.06Å; I314-A354 HydrophobicContact CB-CB 4.33Å; I314-A354 HydrophobicContact CG1-CB 4.36Å; I314-A354 HydrophobicContact CG2-CB 3.9Å; F321-A354 HydrophobicContact CE2-CB 4.39Å; S350-A354 PolarHBondContact O-N 2.91Å; S350-A354 VanDerWaalsContact O-N 3.09Å; M351-A354 PolarHBondContact O-N 2.95Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 3.3Å; A354-L356 PolarHBondContact O-N 3.25Å; A354-L357 PolarHBondContact O-N 2.78Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 WeakPolarHBondContact O-CG 3.37Å; A354-M358 PolarHBondContact O-N 2.85Å
355	Y	96.9	Very high	93.7	Very high	32 Å²	32	39.6 Å²	39.6	13%	0.125	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-43.3	174.7	169.8	-93.4	0	0	0	111.9	M351 L352 M358 N359 F378 I389 S390 L391	M351-Y355 WeakPolarHBondContact O-CB 3.48Å; M351-Y355 PolarHBondContact O-N 3.04Å; L352-Y355 WeakPolarHBondContact O-CB 3.39Å; L352-Y355 PolarHBondContact O-N 3.08Å; Y355-M358 PolarHBondContact O-N 3.36Å; Y355-N359 VanDerWaalsContact CD2-ND2 3.32Å; Y355-N359 WeakPolarHBondContact CD2-ND2 3.41Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.42Å; Y355-N359 PolarHBondContact O-N 2.87Å; Y355-N359 PolarHBondContact O-ND2 2.87Å; Y355-F378 HydrophobicContact CD1-CZ 4.36Å; Y355-F378 AromaticContact CE1-CE2 3.88Å; Y355-F378 HydrophobicContact CE1-CE2 3.88Å; Y355-F378 AromaticContact CE1-CZ 3.87Å; Y355-F378 HydrophobicContact CE1-CZ 3.87Å; Y355-I389 HydrophobicContact CD1-CD1 3.92Å; Y355-I389 HydrophobicContact CD2-CB 4.4Å; Y355-I389 HydrophobicContact CD2-CD1 4.35Å; Y355-I389 HydrophobicContact CE1-CB 4.38Å; Y355-I389 HydrophobicContact CE1-CD1 4.08Å; Y355-I389 HydrophobicContact CE1-CG2 3.97Å; Y355-I389 HydrophobicContact CE2-CB 3.86Å; Y355-I389 HydrophobicContact CE2-CD1 4.49Å; Y355-I389 HydrophobicContact CE2-CG2 4.12Å; Y355-I389 HydrophobicContact CG-CD1 4.09Å; Y355-I389 WeakPolarHBondContact OH-CG2 3.4Å; Y355-S390 WeakPolarHBondContact CD2-O 3.39Å; Y355-S390 VanDerWaalsContact CE2-O 3.3Å; Y355-S390 WeakPolarHBondContact CE2-O 3.3Å; Y355-L391 VanDerWaalsContact CA-CD2 3.49Å; Y355-L391 HydrophobicContact CD2-CD2 4.24Å; Y355-L391 HydrophobicContact CG-CD2 4.46Å
356	L	96.1	Very high	93.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-39.5	179.5	-66	174	0	0	0	112.2	L352 L353 A354 H360 R361 I362 F378	L352-L356 HydrophobicContact CD1-CD1 4.23Å; L352-L356 HydrophobicContact CD1-CG 4.23Å; L352-L356 HydrophobicContact CG-CD1 4.2Å; L352-L356 WeakPolarHBondContact O-CG 3.48Å; L352-L356 PolarHBondContact O-N 2.7Å; L353-L356 PolarHBondContact O-N 2.79Å; A354-L356 PolarHBondContact O-N 3.25Å; L356-H360 PolarHBondContact O-N 2.86Å; L356-R361 HydrophobicContact CD2-CB 3.99Å; L356-R361 HydrophobicContact CD2-CG 4.41Å; L356-R361 PolarHBondContact O-N 3.33Å; L356-I362 HydrophobicContact CB-CD1 3.43Å; L356-I362 VanDerWaalsContact CB-CD1 3.43Å; L356-I362 HydrophobicContact CB-CG1 3.71Å; L356-I362 HydrophobicContact CD1-CD1 4.4Å; L356-I362 PolarHBondContact O-N 2.96Å; L356-F378 HydrophobicContact CD1-CB 4.29Å; L356-F378 HydrophobicContact CD1-CG 4.48Å; L356-F378 HydrophobicContact CD2-CB 4.05Å; L356-F378 HydrophobicContact CD2-CD1 4.34Å; L356-F378 HydrophobicContact CD2-CD2 3.45Å; L356-F378 VanDerWaalsContact CD2-CD2 3.45Å; L356-F378 HydrophobicContact CD2-CE2 3.92Å; L356-F378 HydrophobicContact CD2-CG 3.68Å
357	L	94.1	Very high	93.3	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-49.6	172.7	-80.5	166.6	0	0	0	111.7	I314 C318 F321 L353 A354 N359 H360 I362 N364	I314-L357 HydrophobicContact CG2-CB 4.41Å; I314-L357 HydrophobicContact CG2-CD1 3.83Å; C318-L357 HydrophobicContact CB-CD1 4.05Å; C318-L357 HydrophobicContact CB-CD2 4.31Å; F321-L357 HydrophobicContact CD2-CD1 3.76Å; F321-L357 HydrophobicContact CE2-CD1 4.19Å; L353-L357 PolarHBondContact O-N 3.21Å; L353-L357 VanDerWaalsContact O-N 3.07Å; A354-L357 PolarHBondContact O-N 2.78Å; L357-N359 PolarHBondContact O-N 2.78Å; L357-H360 PolarHBondContact O-N 2.95Å; L357-I362 HydrophobicContact CB-CG1 4.48Å; L357-I362 HydrophobicContact CD2-CD1 4.39Å; L357-I362 HydrophobicContact CD2-CG1 3.97Å; L357-I362 HydrophobicContact CG-CD1 3.95Å; L357-I362 HydrophobicContact CG-CG1 3.91Å; L357-N364 HydrophobicContact CD2-CB 4.39Å
358	M	93.1	Very high	93.1	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-23.2	-176.5	-79.2	177.1	60.5	0	0	114.8	F310 I314 A354 Y355 L391 K393	F310-M358 HydrophobicContact CE2-CE 4.22Å; F310-M358 HydrophobicContact CE2-SD 3.47Å; F310-M358 WeakPolarHBondContact CE2-SD 3.26Å; F310-M358 HydrophobicContact CZ-SD 3.4Å; F310-M358 WeakPolarHBondContact CZ-SD 3.31Å; I314-M358 HydrophobicContact CD1-CG 3.74Å; I314-M358 HydrophobicContact CD1-SD 3.89Å; I314-M358 HydrophobicContact CG1-SD 4.37Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 WeakPolarHBondContact O-CG 3.37Å; A354-M358 PolarHBondContact O-N 2.85Å; Y355-M358 PolarHBondContact O-N 3.36Å; M358-L391 HydrophobicContact CE-CD2 4.41Å; M358-L391 HydrophobicContact SD-CD2 3.82Å; M358-K393 HydrophobicContact CE-CD 4.13Å; M358-K393 HydrophobicContact CE-CG 4.12Å
359	N	91.8	Very high	92.6	Very high	76 Å²	76	41.6 Å²	41.6	41%	0.406	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	14.8	177	-67.3	-83.1	0	0	0	112.4	Y355 L357 R361	Y355-N359 VanDerWaalsContact CD2-ND2 3.32Å; Y355-N359 WeakPolarHBondContact CD2-ND2 3.41Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.42Å; Y355-N359 PolarHBondContact O-N 2.87Å; Y355-N359 PolarHBondContact O-ND2 2.87Å; L357-N359 PolarHBondContact O-N 2.78Å; N359-R361 HydrophobicContact CB-CG 4.24Å; N359-R361 PolarHBondContact O-N 3.46Å
360	H	89.9	Confident	92.2	Very high	167 Å²	167	44.1 Å²	44.1	77%	0.773	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	25.4	177.8	-52.8	-67.9	0	0	0	115	L356 L357	L356-H360 PolarHBondContact O-N 2.86Å; L357-H360 PolarHBondContact O-N 2.95Å
361	R	88.8	Confident	92	Very high	139 Å²	139	44 Å²	44	53%	0.525	22%	0.224	S	C	.	.	S	Bend	trans	-77.9	-14.5	173.9	-51.5	-158.2	84.2	-175.9	3.9	112.1	L356 N359 F378	L356-R361 HydrophobicContact CD2-CB 3.99Å; L356-R361 HydrophobicContact CD2-CG 4.41Å; L356-R361 PolarHBondContact O-N 3.33Å; N359-R361 HydrophobicContact CB-CG 4.24Å; N359-R361 PolarHBondContact O-N 3.46Å; R361-F378 VanDerWaalsContact NH1-CD2 3.3Å
362	I	90.4	Very high	91.8	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.224	C	C	.	.	S	Bend	trans	-139	150.7	169.4	54.5	-172.6	0	0	0	109.1	L353 L356 L357 M366 L371 N374	L353-I362 HydrophobicContact CD1-CD1 3.47Å; L353-I362 VanDerWaalsContact CD1-CD1 3.47Å; L353-I362 HydrophobicContact CG-CD1 4.16Å; L356-I362 HydrophobicContact CB-CD1 3.43Å; L356-I362 VanDerWaalsContact CB-CD1 3.43Å; L356-I362 HydrophobicContact CB-CG1 3.71Å; L356-I362 HydrophobicContact CD1-CD1 4.4Å; L356-I362 PolarHBondContact O-N 2.96Å; L357-I362 HydrophobicContact CB-CG1 4.48Å; L357-I362 HydrophobicContact CD2-CD1 4.39Å; L357-I362 HydrophobicContact CD2-CG1 3.97Å; L357-I362 HydrophobicContact CG-CD1 3.95Å; L357-I362 HydrophobicContact CG-CG1 3.91Å; I362-M366 HydrophobicContact CB-SD 3.68Å; I362-M366 HydrophobicContact CG2-SD 3.89Å; I362-L371 HydrophobicContact CB-CD2 4.31Å; I362-L371 HydrophobicContact CD1-CD2 3.78Å; I362-L371 HydrophobicContact CG1-CD2 4.35Å; I362-N374 HydrophobicContact CG2-CB 3.38Å
363	S	89.8	Confident	91.6	Very high	44 Å²	44	46.9 Å²	46.9	31%	0.308	23%	0.234	S	C	.	.			trans	-91.6	150.5	177.6	-178.9	0	0	0	0	111	T365 M366	S363-T365 PolarHBondContact O-N 3.32Å; S363-T365 PolarHBondContact OG-N 2.83Å; S363-T365 PolarHBondContact OG-OG1 2.9Å; S363-M366 PolarHBondContact N-SD 3.11Å; S363-M366 VanDerWaalsContact N-SD 3.41Å; S363-M366 WeakPolarHBondContact O-CB 3.37Å; S363-M366 PolarHBondContact O-N 3.22Å
364	N	88.9	Confident	91.4	Very high	87 Å²	87	49.1 Å²	49.1	47%	0.465	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	171.8	67.8	-26.5	0	0	0	113.7	Q317 C318 L357 M366	Q317-N364 VanDerWaalsContact O-CB 3.32Å; Q317-N364 WeakPolarHBondContact O-CB 3.49Å; Q317-N364 PolarHBondContact O-ND2 3.02Å; C318-N364 HydrophobicContact CB-CB 3.98Å; C318-N364 PolarHBondContact SG-O 3.2Å; L357-N364 HydrophobicContact CD2-CB 4.39Å; N364-M366 VanDerWaalsContact C-N 3.34Å
365	T	87.9	Confident	91.4	Very high	117 Å²	117	49.1 Å²	49.1	72%	0.718	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-4.7	173.4	56.3	0	0	0	0	114.3	S363	S363-T365 PolarHBondContact O-N 3.32Å; S363-T365 PolarHBondContact OG-N 2.83Å; S363-T365 PolarHBondContact OG-OG1 2.9Å
366	M	88.6	Confident	91.4	Very high	46 Å²	46	47.6 Å²	47.6	23%	0.227	24%	0.241	C	C	.	.			trans	-72.3	144.5	-178.1	-76.7	177.6	179.4	0	0	113	A320 I362 S363 N364 Q370 L371 N374	A320-M366 WeakPolarHBondContact CB-O 3.06Å; I362-M366 HydrophobicContact CB-SD 3.68Å; I362-M366 HydrophobicContact CG2-SD 3.89Å; S363-M366 PolarHBondContact N-SD 3.11Å; S363-M366 VanDerWaalsContact N-SD 3.41Å; S363-M366 WeakPolarHBondContact O-CB 3.37Å; S363-M366 PolarHBondContact O-N 3.22Å; N364-M366 VanDerWaalsContact C-N 3.34Å; M366-Q370 HydrophobicContact CB-CB 3.94Å; M366-Q370 HydrophobicContact CG-CB 4.08Å; M366-Q370 HydrophobicContact SD-CB 4.32Å; M366-L371 HydrophobicContact CB-CD2 3.91Å; M366-L371 HydrophobicContact CB-CG 4.12Å; M366-N374 PolarHBondContact SD-ND2 3.04Å; M366-N374 VanDerWaalsContact SD-ND2 3.42Å
367	T	89.4	Confident	91.3	Very high	57 Å²	57	51.3 Å²	51.3	35%	0.35	26%	0.26	S	S	.	.			trans	-70.2	157.6	171	60.6	0	0	0	0	112.2	Y369 Q370 L371	T367-Y369 PolarHBondContact O-N 3.17Å; T367-Y369 VanDerWaalsContact O-N 3.13Å; T367-Q370 PolarHBondContact O-N 3.07Å; T367-Q370 VanDerWaalsContact OG1-CD 3.3Å; T367-Q370 WeakPolarHBondContact OG1-CG 3.45Å; T367-Q370 PolarHBondContact OG1-N 2.74Å; T367-Q370 PolarHBondContact OG1-OE1 2.84Å; T367-L371 WeakPolarHBondContact O-CG 3.16Å; T367-L371 PolarHBondContact O-N 3.31Å
368	A	90.3	Very high	91.5	Very high	15 Å²	15	50.7 Å²	50.7	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-52.4	-35.8	176.5	0	0	0	0	0	113.4	D323 L327 L371 L372	D323-A368 HydrophobicContact CB-CB 3.67Å; L327-A368 HydrophobicContact CD1-CB 3.84Å; A368-L371 PolarHBondContact O-N 2.87Å; A368-L372 PolarHBondContact O-N 3.25Å
369	Y	87.1	Confident	91.7	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-53.3	171.1	165.2	-134.2	0	0	0	112.4	M85 T367 L371 L372 R373 W445	M85-Y369 HydrophobicContact CE-CD2 3.78Å; M85-Y369 HydrophobicContact CE-CG 4.3Å; M85-Y369 HydrophobicContact SD-CD2 4.19Å; M85-Y369 HydrophobicContact SD-CG 4.23Å; T367-Y369 PolarHBondContact O-N 3.17Å; T367-Y369 VanDerWaalsContact O-N 3.13Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.96Å; Y369-L372 WeakPolarHBondContact O-CB 3.47Å; Y369-L372 PolarHBondContact O-N 3.26Å; Y369-R373 HydrophobicContact CD2-CB 4.45Å; Y369-R373 HydrophobicContact CE2-CB 4Å; Y369-R373 PolarHBondContact O-N 2.85Å; Y369-R373 WeakPolarHBondContact OH-CD 3.4Å; Y369-W445 HydrophobicContact CD2-CH2 4.34Å; Y369-W445 AromaticContact CD2-CZ2 3.82Å; Y369-W445 HydrophobicContact CD2-CZ2 3.82Å; Y369-W445 HydrophobicContact CE2-CD2 4.32Å; Y369-W445 AromaticContact CE2-CE2 3.44Å; Y369-W445 VanDerWaalsContact CE2-CE2 3.44Å; Y369-W445 HydrophobicContact CE2-CH2 4.2Å; Y369-W445 AromaticContact CE2-CZ2 3.4Å; Y369-W445 HydrophobicContact CE2-CZ2 3.4Å; Y369-W445 AromaticContact CE2-NE1 3.51Å; Y369-W445 AromaticContact CZ-NE1 3.67Å; Y369-W445 PolarHBondContact OH-NE1 3.49Å
370	Q	88.9	Confident	91.9	Very high	53 Å²	53	46.9 Å²	46.9	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-35.5	179.8	-72	158.1	-34.8	0	0	111.4	M366 T367 N374	M366-Q370 HydrophobicContact CB-CB 3.94Å; M366-Q370 HydrophobicContact CG-CB 4.08Å; M366-Q370 HydrophobicContact SD-CB 4.32Å; T367-Q370 PolarHBondContact O-N 3.07Å; T367-Q370 VanDerWaalsContact OG1-CD 3.3Å; T367-Q370 WeakPolarHBondContact OG1-CG 3.45Å; T367-Q370 PolarHBondContact OG1-N 2.74Å; T367-Q370 PolarHBondContact OG1-OE1 2.84Å; Q370-N374 VanDerWaalsContact O-CB 3.31Å; Q370-N374 WeakPolarHBondContact O-CB 3.48Å; Q370-N374 PolarHBondContact O-N 3.13Å; Q370-N374 PolarHBondContact O-ND2 2.72Å
371	L	93.2	Very high	92.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-45.6	173	-65.4	175.3	0	0	0	111.8	A320 L353 I362 M366 T367 A368 Y369 S375	A320-L371 HydrophobicContact CB-CD1 3.68Å; A320-L371 WeakPolarHBondContact O-CD1 3.16Å; L353-L371 HydrophobicContact CD1-CB 4.08Å; L353-L371 HydrophobicContact CD1-CD2 4.27Å; L353-L371 HydrophobicContact CD2-CD1 4.49Å; I362-L371 HydrophobicContact CB-CD2 4.31Å; I362-L371 HydrophobicContact CD1-CD2 3.78Å; I362-L371 HydrophobicContact CG1-CD2 4.35Å; M366-L371 HydrophobicContact CB-CD2 3.91Å; M366-L371 HydrophobicContact CB-CG 4.12Å; T367-L371 WeakPolarHBondContact O-CG 3.16Å; T367-L371 PolarHBondContact O-N 3.31Å; A368-L371 PolarHBondContact O-N 2.87Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.96Å; L371-S375 WeakPolarHBondContact O-CB 3.17Å; L371-S375 PolarHBondContact O-N 3.15Å; L371-S375 VanDerWaalsContact O-N 3.11Å; L371-S375 PolarHBondContact O-OG 2.99Å
372	L	93.2	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-56	173.2	176.3	69.9	0	0	0	111.2	L327 L328 W331 A368 Y369 N374 S375 L376 W445 L457	L327-L372 HydrophobicContact CB-CB 4.48Å; L327-L372 HydrophobicContact CB-CD1 4.48Å; L327-L372 HydrophobicContact CB-CD2 4.27Å; L328-L372 HydrophobicContact CB-CD1 4.11Å; L328-L372 HydrophobicContact CD1-CD1 4.07Å; W331-L372 HydrophobicContact CB-CD1 4.33Å; A368-L372 PolarHBondContact O-N 3.25Å; Y369-L372 WeakPolarHBondContact O-CB 3.47Å; Y369-L372 PolarHBondContact O-N 3.26Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.23Å; L372-S375 WeakPolarHBondContact O-CA 3.39Å; L372-S375 WeakPolarHBondContact O-CB 3.44Å; L372-S375 PolarHBondContact O-N 3.32Å; L372-L376 HydrophobicContact CD1-CD1 4.32Å; L372-L376 HydrophobicContact CD1-CG 4.26Å; L372-L376 HydrophobicContact CG-CD1 4.25Å; L372-L376 HydrophobicContact CG-CG 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.48Å; L372-L376 PolarHBondContact O-N 3.44Å; L372-W445 HydrophobicContact CD2-CH2 4.17Å; L372-W445 HydrophobicContact CD2-CZ3 4.11Å; L372-L457 HydrophobicContact CD2-CD2 4.37Å
373	R	91.8	Very high	92.7	Very high	61 Å²	61	39 Å²	39	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-41.5	-174.8	-178.2	172.8	169	124.5	10.1	112.1	Y369 L376 N377 M442 D446	Y369-R373 HydrophobicContact CD2-CB 4.45Å; Y369-R373 HydrophobicContact CE2-CB 4Å; Y369-R373 PolarHBondContact O-N 2.85Å; Y369-R373 WeakPolarHBondContact OH-CD 3.4Å; R373-L376 PolarHBondContact O-N 3.38Å; R373-N377 WeakPolarHBondContact O-CB 3.09Å; R373-N377 PolarHBondContact O-N 3.37Å; R373-M442 HydrophobicContact CG-CE 4.02Å; R373-M442 HydrophobicContact CG-SD 4.17Å; R373-D446 IonicContact CZ-OD1 3.78Å; R373-D446 IonicContact CZ-OD2 3.69Å; R373-D446 IonicContact NH1-OD1 3.49Å; R373-D446 PolarHBondContact NH1-OD1 3.07Å; R373-D446 IonicContact NH2-OD1 2.69Å; R373-D446 PolarHBondContact NH2-OD1 3.44Å; R373-D446 IonicContact NH2-OD2 3.5Å; R373-D446 PolarHBondContact NH2-OD2 3.21Å
374	N	93.8	Very high	93	Very high	48 Å²	48	37 Å²	37	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-71.3	-31.4	176.3	-72.7	-42.6	0	0	0	113	I362 M366 Q370 L372 F378	I362-N374 HydrophobicContact CG2-CB 3.38Å; M366-N374 PolarHBondContact SD-ND2 3.04Å; M366-N374 VanDerWaalsContact SD-ND2 3.42Å; Q370-N374 VanDerWaalsContact O-CB 3.31Å; Q370-N374 WeakPolarHBondContact O-CB 3.48Å; Q370-N374 PolarHBondContact O-N 3.13Å; Q370-N374 PolarHBondContact O-ND2 2.72Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.23Å; N374-F378 WeakPolarHBondContact O-CB 3.26Å; N374-F378 PolarHBondContact O-N 2.93Å
375	S	96.1	Very high	93.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-41.5	172.9	-58.8	0	0	0	0	111.9	L353 L371 L372 F378 L379	L353-S375 WeakPolarHBondContact CD1-OG 3.3Å; L371-S375 WeakPolarHBondContact O-CB 3.17Å; L371-S375 PolarHBondContact O-N 3.15Å; L371-S375 VanDerWaalsContact O-N 3.11Å; L371-S375 PolarHBondContact O-OG 2.99Å; L372-S375 WeakPolarHBondContact O-CA 3.39Å; L372-S375 WeakPolarHBondContact O-CB 3.44Å; L372-S375 PolarHBondContact O-N 3.32Å; S375-F378 PolarHBondContact O-N 3.14Å; S375-L379 WeakPolarHBondContact O-CG 3.4Å; S375-L379 PolarHBondContact O-N 2.9Å
376	L	95.8	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-44.8	174	-61.7	-176.4	0	0	0	111.5	L328 W331 L372 R373 F378 L379 A380 A438 M442	L328-L376 HydrophobicContact CD1-CD2 4.25Å; W331-L376 HydrophobicContact CD2-CD2 3.59Å; W331-L376 VanDerWaalsContact CE2-CD2 3.43Å; W331-L376 HydrophobicContact CE3-CD2 3.84Å; W331-L376 HydrophobicContact CG-CD2 4.21Å; W331-L376 HydrophobicContact CH2-CD2 3.88Å; W331-L376 HydrophobicContact CZ2-CD2 3.61Å; W331-L376 HydrophobicContact CZ3-CD2 3.98Å; L372-L376 HydrophobicContact CD1-CD1 4.32Å; L372-L376 HydrophobicContact CD1-CG 4.26Å; L372-L376 HydrophobicContact CG-CD1 4.25Å; L372-L376 HydrophobicContact CG-CG 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.48Å; L372-L376 PolarHBondContact O-N 3.44Å; R373-L376 PolarHBondContact O-N 3.38Å; L376-F378 VanDerWaalsContact C-N 3.29Å; L376-F378 PolarHBondContact O-N 2.84Å; L376-L379 PolarHBondContact O-N 3.45Å; L376-A380 WeakPolarHBondContact O-CB 3.2Å; L376-A380 PolarHBondContact O-N 3.11Å; L376-A438 HydrophobicContact CD2-CB 4.49Å; L376-M442 HydrophobicContact CB-CG 4.46Å; L376-M442 HydrophobicContact CB-SD 4.02Å
377	N	95.4	Very high	93.8	Very high	79 Å²	79	34.8 Å²	34.8	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-38.4	175	-174.3	40.8	0	0	0	112.5	R373 S381 M442	R373-N377 WeakPolarHBondContact O-CB 3.09Å; R373-N377 PolarHBondContact O-N 3.37Å; N377-S381 WeakPolarHBondContact O-CB 3.37Å; N377-S381 PolarHBondContact O-N 3.42Å; N377-S381 PolarHBondContact O-OG 3.46Å; N377-M442 HydrophobicContact CB-CE 4.29Å; N377-M442 HydrophobicContact CB-SD 4.22Å
378	F	96.8	Very high	94	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-49.5	173.1	175.4	-90.4	0	0	0	112.2	L352 Y355 L356 R361 N374 S375 L376 A380 S381 T382 I389	L352-F378 HydrophobicContact CD1-CD1 3.66Å; L352-F378 HydrophobicContact CD1-CE1 3.52Å; L352-F378 HydrophobicContact CD1-CZ 4.35Å; Y355-F378 HydrophobicContact CD1-CZ 4.36Å; Y355-F378 AromaticContact CE1-CE2 3.88Å; Y355-F378 HydrophobicContact CE1-CE2 3.88Å; Y355-F378 AromaticContact CE1-CZ 3.87Å; Y355-F378 HydrophobicContact CE1-CZ 3.87Å; L356-F378 HydrophobicContact CD1-CB 4.29Å; L356-F378 HydrophobicContact CD1-CG 4.48Å; L356-F378 HydrophobicContact CD2-CB 4.05Å; L356-F378 HydrophobicContact CD2-CD1 4.34Å; L356-F378 HydrophobicContact CD2-CD2 3.45Å; L356-F378 VanDerWaalsContact CD2-CD2 3.45Å; L356-F378 HydrophobicContact CD2-CE2 3.92Å; L356-F378 HydrophobicContact CD2-CG 3.68Å; R361-F378 VanDerWaalsContact NH1-CD2 3.3Å; N374-F378 WeakPolarHBondContact O-CB 3.26Å; N374-F378 PolarHBondContact O-N 2.93Å; S375-F378 PolarHBondContact O-N 3.14Å; L376-F378 VanDerWaalsContact C-N 3.29Å; L376-F378 PolarHBondContact O-N 2.84Å; F378-A380 VanDerWaalsContact C-N 3.3Å; F378-A380 PolarHBondContact O-N 3.32Å; F378-S381 PolarHBondContact O-N 2.89Å; F378-S381 PolarHBondContact O-OG 3.43Å; F378-T382 WeakPolarHBondContact CD2-OG1 3.35Å; F378-T382 HydrophobicContact CE1-CG2 4.34Å; F378-T382 HydrophobicContact CE2-CG2 3.89Å; F378-T382 WeakPolarHBondContact CE2-OG1 3.4Å; F378-T382 HydrophobicContact CZ-CG2 3.7Å; F378-T382 VanDerWaalsContact O-CB 3.29Å; F378-T382 WeakPolarHBondContact O-CB 3.17Å; F378-T382 PolarHBondContact O-N 3.46Å; F378-T382 PolarHBondContact O-OG1 3.04Å; F378-T382 VanDerWaalsContact O-OG1 3.07Å; F378-I389 HydrophobicContact CE1-CD1 4.46Å; F378-I389 HydrophobicContact CZ-CD1 4.23Å; F378-I389 HydrophobicContact CZ-CG2 4.23Å
379	L	97.1	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-34	179.8	-72.7	172.1	0	0	0	112.7	L352 S375 L376 Y431 L434 Q435 A438	L352-L379 HydrophobicContact CD2-CD1 4.01Å; L352-L379 HydrophobicContact CD2-CD2 3.93Å; L352-L379 HydrophobicContact CD2-CG 3.93Å; S375-L379 WeakPolarHBondContact O-CG 3.4Å; S375-L379 PolarHBondContact O-N 2.9Å; L376-L379 PolarHBondContact O-N 3.45Å; L379-Y431 HydrophobicContact CD2-CE2 4.18Å; L379-L434 HydrophobicContact CD1-CD1 4.21Å; L379-L434 HydrophobicContact CD1-CD2 4.24Å; L379-L434 HydrophobicContact CD1-CG 4.15Å; L379-L434 HydrophobicContact CD2-CD2 3.78Å; L379-L434 HydrophobicContact CD2-CG 4.28Å; L379-Q435 WeakPolarHBondContact O-CG 3.25Å; L379-A438 HydrophobicContact CB-CB 3.69Å
380	A	96.6	Very high	94.7	Very high	26 Å²	26	32.2 Å²	32.2	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-29	176.2	0	0	0	0	0	113.5	L376 F378 A438	L376-A380 WeakPolarHBondContact O-CB 3.2Å; L376-A380 PolarHBondContact O-N 3.11Å; F378-A380 VanDerWaalsContact C-N 3.3Å; F378-A380 PolarHBondContact O-N 3.32Å; A380-A438 HydrophobicContact CB-CB 4.17Å
381	S	95.1	Very high	95.1	Very high	82 Å²	82	30 Å²	30	57%	0.573	18%	0.18	S	C	*	.	H	α-helix	trans	-111.1	-19.9	-169.7	59.4	0	0	0	0	115.5	N377 F378	N377-S381 WeakPolarHBondContact O-CB 3.37Å; N377-S381 PolarHBondContact O-N 3.42Å; N377-S381 PolarHBondContact O-OG 3.46Å; F378-S381 PolarHBondContact O-N 2.89Å; F378-S381 PolarHBondContact O-OG 3.43Å
382	T	95.6	Very high	95.1	Very high	21 Å²	21	30.9 Å²	30.9	13%	0.129	19%	0.187	C	C	.	.			trans	-104.8	141.9	-177.4	-49.3	0	0	0	0	109.9	F378 L384 Y431 Q435	F378-T382 WeakPolarHBondContact CD2-OG1 3.35Å; F378-T382 HydrophobicContact CE1-CG2 4.34Å; F378-T382 HydrophobicContact CE2-CG2 3.89Å; F378-T382 WeakPolarHBondContact CE2-OG1 3.4Å; F378-T382 HydrophobicContact CZ-CG2 3.7Å; F378-T382 VanDerWaalsContact O-CB 3.29Å; F378-T382 WeakPolarHBondContact O-CB 3.17Å; F378-T382 PolarHBondContact O-N 3.46Å; F378-T382 PolarHBondContact O-OG1 3.04Å; F378-T382 VanDerWaalsContact O-OG1 3.07Å; T382-L384 HydrophobicContact CG2-CD2 4.29Å; T382-Y431 PolarHBondContact O-OH 2.97Å; T382-Q435 PolarHBondContact O-NE2 3.26Å
383	D	95.4	Very high	94.6	Very high	44 Å²	44	37.5 Å²	37.5	24%	0.235	22%	0.216	C	C	.	.			trans	-115.8	97.5	-176.7	-165.6	9.3	0	0	0	113.9	T385 V386 S387 K432	D383-T385 PolarHBondContact O-N 3.4Å; D383-T385 PolarHBondContact OD1-N 3.47Å; D383-T385 PolarHBondContact OD1-OG1 3.46Å; D383-T385 PolarHBondContact OD2-OG1 2.78Å; D383-V386 PolarHBondContact O-N 3.04Å; D383-V386 VanDerWaalsContact O-N 3.09Å; D383-V386 WeakPolarHBondContact OD2-CG2 3.3Å; D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.04Å; D383-K432 IonicContact OD1-NZ 3.67Å; D383-K432 PolarHBondContact OD1-NZ 2.88Å; D383-K432 IonicContact OD2-NZ 2.67Å; D383-K432 PolarHBondContact OD2-NZ 3.38Å
384	L	96.3	Very high	94.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-6.9	-179.2	-58.5	-169.5	0	0	0	114.5	T382 V386 I389 V411 V412 Y431	T382-L384 HydrophobicContact CG2-CD2 4.29Å; L384-V386 VanDerWaalsContact C-N 3.31Å; L384-I389 HydrophobicContact CD1-CD1 4.15Å; L384-I389 HydrophobicContact CD1-CG1 4.22Å; L384-I389 HydrophobicContact CD2-CB 4.21Å; L384-I389 HydrophobicContact CD2-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CG1 3.73Å; L384-I389 HydrophobicContact CD2-CG2 3.75Å; L384-V411 HydrophobicContact CB-CG1 3.88Å; L384-V412 PolarHBondContact O-N 3.15Å; L384-Y431 HydrophobicContact CB-CD1 4.35Å; L384-Y431 HydrophobicContact CB-CD2 4.24Å; L384-Y431 HydrophobicContact CB-CE1 4Å; L384-Y431 HydrophobicContact CB-CE2 3.87Å; L384-Y431 HydrophobicContact CB-CG 4.49Å; L384-Y431 HydrophobicContact CD1-CD2 4.46Å; L384-Y431 HydrophobicContact CD1-CE2 3.73Å; L384-Y431 HydrophobicContact CG-CE1 4.33Å; L384-Y431 HydrophobicContact CG-CE2 3.78Å
385	T	96	Very high	93.6	Very high	34 Å²	34	43 Å²	43	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.3	168.7	67.5	0	0	0	0	113.2	D383 Q410 V411 A428 Y431	D383-T385 PolarHBondContact O-N 3.4Å; D383-T385 PolarHBondContact OD1-N 3.47Å; D383-T385 PolarHBondContact OD1-OG1 3.46Å; D383-T385 PolarHBondContact OD2-OG1 2.78Å; T385-Q410 WeakPolarHBondContact CA-O 3.33Å; T385-Q410 WeakPolarHBondContact CB-O 3.43Å; T385-Q410 WeakPolarHBondContact CG2-O 3.14Å; T385-V411 HydrophobicContact CG2-CG2 4.03Å; T385-A428 HydrophobicContact CG2-CB 3.83Å; T385-Y431 HydrophobicContact CG2-CD1 4.06Å; T385-Y431 HydrophobicContact CG2-CG 4.49Å
386	V	94.3	Very high	93.1	Very high	106 Å²	106	46.8 Å²	46.8	64%	0.642	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-52.1	-178.1	-177.6	0	0	0	0	112.2	D383 L384 H406	D383-V386 PolarHBondContact O-N 3.04Å; D383-V386 VanDerWaalsContact O-N 3.09Å; D383-V386 WeakPolarHBondContact OD2-CG2 3.3Å; L384-V386 VanDerWaalsContact C-N 3.31Å; V386-H406 PolarHBondContact O-NE2 3.37Å
387	S	92.5	Very high	92.6	Very high	63 Å²	63	53 Å²	53	44%	0.441	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-45.1	178.5	73.7	0	0	0	0	111.3	D383 H406	D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.04Å; S387-H406 PolarHBondContact O-NE2 3Å
388	G	93.6	Very high	92.3	Very high	6 Å²	6	52.3 Å²	52.3	6%	0.062	32%	0.317	C	S	.	.			trans	64.6	175	-161.7	0	0	0	0	0	112.4	H406 V412	G388-H406 PolarHBondContact N-NE2 2.79Å; G388-V412 CarbonylContact C-O 3.45Å; G388-V412 WeakPolarHBondContact CA-O 3.15Å
389	I	96.3	Very high	92.1	Very high	8 Å²	8	53 Å²	53	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.8	171.8	55.4	174.2	0	0	0	111.3	Y355 F378 L384 V412 F413 V414	Y355-I389 HydrophobicContact CD1-CD1 3.92Å; Y355-I389 HydrophobicContact CD2-CB 4.4Å; Y355-I389 HydrophobicContact CD2-CD1 4.35Å; Y355-I389 HydrophobicContact CE1-CB 4.38Å; Y355-I389 HydrophobicContact CE1-CD1 4.08Å; Y355-I389 HydrophobicContact CE1-CG2 3.97Å; Y355-I389 HydrophobicContact CE2-CB 3.86Å; Y355-I389 HydrophobicContact CE2-CD1 4.49Å; Y355-I389 HydrophobicContact CE2-CG2 4.12Å; Y355-I389 HydrophobicContact CG-CD1 4.09Å; Y355-I389 WeakPolarHBondContact OH-CG2 3.4Å; F378-I389 HydrophobicContact CE1-CD1 4.46Å; F378-I389 HydrophobicContact CZ-CD1 4.23Å; F378-I389 HydrophobicContact CZ-CG2 4.23Å; L384-I389 HydrophobicContact CD1-CD1 4.15Å; L384-I389 HydrophobicContact CD1-CG1 4.22Å; L384-I389 HydrophobicContact CD2-CB 4.21Å; L384-I389 HydrophobicContact CD2-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CG1 3.73Å; L384-I389 HydrophobicContact CD2-CG2 3.75Å; I389-V412 PolarHBondContact N-O 3.34Å; I389-F413 HydrophobicContact CD1-CD1 4.25Å; I389-F413 HydrophobicContact CD1-CD2 3.64Å; I389-F413 HydrophobicContact CD1-CE1 4.23Å; I389-F413 HydrophobicContact CD1-CE2 3.6Å; I389-F413 HydrophobicContact CD1-CG 3.97Å; I389-F413 HydrophobicContact CD1-CZ 3.9Å; I389-F413 HydrophobicContact CG1-CB 4.26Å; I389-F413 HydrophobicContact CG1-CD2 3.51Å; I389-F413 HydrophobicContact CG1-CE2 3.93Å; I389-F413 HydrophobicContact CG1-CG 3.91Å; I389-F413 WeakPolarHBondContact O-CA 3.28Å; I389-V414 PolarHBondContact O-N 2.95Å
390	S	96.1	Very high	91.9	Very high	36 Å²	36	53.6 Å²	53.6	25%	0.252	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.7	176.5	-179.1	0	0	0	0	111.5	Y355 A392	Y355-S390 WeakPolarHBondContact CD2-O 3.39Å; Y355-S390 VanDerWaalsContact CE2-O 3.3Å; Y355-S390 WeakPolarHBondContact CE2-O 3.3Å; S390-A392 PolarHBondContact OG-N 2.83Å; S390-A392 VanDerWaalsContact OG-N 3.13Å
391	L	95.8	Very high	91.8	Very high	6 Å²	6	55 Å²	55	3%	0.031	34%	0.336	C	S	.	.			trans	-93.6	-15.6	169.1	-84.1	168.1	0	0	0	113.8	F310 M351 Y355 M358 K393 F413 V414 P416 M422	F310-L391 HydrophobicContact CE1-CD1 4.1Å; F310-L391 HydrophobicContact CE1-CD2 4.43Å; F310-L391 HydrophobicContact CZ-CD1 4.25Å; F310-L391 HydrophobicContact CZ-CD2 3.84Å; M351-L391 HydrophobicContact CB-CD1 4.13Å; M351-L391 HydrophobicContact CG-CD1 4.43Å; M351-L391 HydrophobicContact SD-CD1 3.64Å; Y355-L391 VanDerWaalsContact CA-CD2 3.49Å; Y355-L391 HydrophobicContact CD2-CD2 4.24Å; Y355-L391 HydrophobicContact CG-CD2 4.46Å; M358-L391 HydrophobicContact CE-CD2 4.41Å; M358-L391 HydrophobicContact SD-CD2 3.82Å; L391-K393 PolarHBondContact O-N 3.22Å; L391-F413 HydrophobicContact CD1-CE2 3.95Å; L391-F413 HydrophobicContact CD1-CZ 4.24Å; L391-F413 HydrophobicContact CG-CE2 4.03Å; L391-V414 PolarHBondContact N-O 3.03Å; L391-P416 HydrophobicContact CB-CB 4.36Å; L391-P416 HydrophobicContact CB-CG 3.95Å; L391-P416 HydrophobicContact CD1-CG 4.03Å; L391-M422 HydrophobicContact CD1-CE 4.13Å
392	A	93.1	Very high	91.8	Very high	18 Å²	18	54.3 Å²	54.3	15%	0.149	33%	0.325	C	S	.	.			trans	-73.1	120.2	177.3	0	0	0	0	0	110.8	S390 P395	S390-A392 PolarHBondContact OG-N 2.83Å; S390-A392 VanDerWaalsContact OG-N 3.13Å; A392-P395 HydrophobicContact CB-CB 4.16Å
393	K	84	Confident	91.7	Very high	139 Å²	139	56.2 Å²	56.2	60%	0.604	34%	0.343	S	S	*	.	S	Bend	trans	-81.4	-49.8	173.6	-72.9	-171.7	168	-173.8	0	111.7	M358 L391 P395	M358-K393 HydrophobicContact CE-CD 4.13Å; M358-K393 HydrophobicContact CE-CG 4.12Å; L391-K393 PolarHBondContact O-N 3.22Å; K393-P395 VanDerWaalsContact C-CD 3.49Å; K393-P395 WeakPolarHBondContact O-CD 3.27Å
394	D	82.4	Confident	91.7	Very high	154 Å²	154	56.5 Å²	56.5	82%	0.824	34%	0.343	S	S	*	.	S	Bend	trans	-122.6	72.4	-178.8	-56.2	-81.8	0	0	0	109.5
395	P	81.9	Confident	91.7	Very high	72 Å²	72	56.6 Å²	56.6	47%	0.468	34%	0.343	S	S	.	.			trans	-64.3	146.9	179	27.9	-34.9	0	0	0	111.4	A392 K393 A399	A392-P395 HydrophobicContact CB-CB 4.16Å; K393-P395 VanDerWaalsContact C-CD 3.49Å; K393-P395 WeakPolarHBondContact O-CD 3.27Å; P395-A399 HydrophobicContact CB-CB 3.92Å
396	D	85.9	Confident	91.7	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	34%	0.344	S	S	.	.			trans	-68.8	158.7	176.1	78.8	58.2	0	0	0	112.1	T398 A399 H419	D396-T398 PolarHBondContact O-N 2.78Å; D396-T398 VanDerWaalsContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.46Å; D396-T398 WeakPolarHBondContact OD1-CB 3.3Å; D396-T398 PolarHBondContact OD1-N 3.2Å; D396-T398 PolarHBondContact OD1-OG1 3.06Å; D396-A399 WeakPolarHBondContact O-CB 3.46Å; D396-A399 PolarHBondContact O-N 2.92Å; D396-A399 PolarHBondContact OD1-N 2.73Å; D396-H419 IonicContact OD1-CE1 2.68Å; D396-H419 IonicContact OD1-NE2 3.78Å; D396-H419 PolarHBondContact OD1-NE2 3.38Å; D396-H419 IonicContact OD2-CD2 3.72Å; D396-H419 IonicContact OD2-CE1 2.75Å; D396-H419 IonicContact OD2-NE2 2.74Å; D396-H419 PolarHBondContact OD2-NE2 3.22Å
397	S	85.6	Confident	91.7	Very high	130 Å²	130	58.7 Å²	58.7	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	8.8	-176	57.7	0	0	0	0	115.3
398	T	88.8	Confident	91.8	Very high	65 Å²	65	57 Å²	57	40%	0.399	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	3.3	172.7	69.3	0	0	0	0	113.6	S262 D396 H419	S262-T398 WeakPolarHBondContact CB-OG1 3.31Å; D396-T398 PolarHBondContact O-N 2.78Å; D396-T398 VanDerWaalsContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.46Å; D396-T398 WeakPolarHBondContact OD1-CB 3.3Å; D396-T398 PolarHBondContact OD1-N 3.2Å; D396-T398 PolarHBondContact OD1-OG1 3.06Å; T398-H419 PolarHBondContact O-CE1 2.87Å
399	A	91.3	Very high	91.9	Very high	22 Å²	22	57.5 Å²	57.5	18%	0.182	34%	0.338	C	S	.	.	S	Bend	trans	-74.2	144.7	171.7	0	0	0	0	0	111.2	P395 D396	P395-A399 HydrophobicContact CB-CB 3.92Å; D396-A399 WeakPolarHBondContact O-CB 3.46Å; D396-A399 PolarHBondContact O-N 2.92Å; D396-A399 PolarHBondContact OD1-N 2.73Å
400	P	94.1	Very high	91.9	Very high	12 Å²	12	60.6 Å²	60.6	8%	0.078	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-72.4	147.3	178.8	-7.6	24.1	0	0	0	111.9	P266 E404 F405 G418	P266-P400 HydrophobicContact CG-CB 4.17Å; P266-P400 HydrophobicContact CG-CG 3.97Å; P400-E404 HydrophobicContact CB-CB 4.27Å; P400-F405 HydrophobicContact CB-CD2 4.01Å; P400-F405 HydrophobicContact CB-CE1 4.45Å; P400-F405 HydrophobicContact CB-CE2 3.65Å; P400-F405 HydrophobicContact CB-CZ 3.91Å; P400-F405 HydrophobicContact CG-CE1 4.07Å; P400-F405 HydrophobicContact CG-CE2 3.75Å; P400-F405 HydrophobicContact CG-CZ 3.51Å; P400-F405 WeakPolarHBondContact O-CE2 3.46Å; P400-G418 WeakPolarHBondContact CD-O 3.46Å
401	S	93.9	Very high	92	Very high	56 Å²	56	58.9 Å²	58.9	39%	0.392	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-72.1	159.3	168.8	67	0	0	0	0	112.1	A403 E404 F405	S401-A403 PolarHBondContact O-N 3.41Å; S401-E404 WeakPolarHBondContact CB-OE2 3.18Å; S401-E404 PolarHBondContact N-OE2 3.28Å; S401-E404 PolarHBondContact O-N 3.45Å; S401-E404 VanDerWaalsContact OG-CG 3.3Å; S401-E404 WeakPolarHBondContact OG-CG 3.36Å; S401-E404 PolarHBondContact OG-N 3.39Å; S401-E404 PolarHBondContact OG-OE2 3.47Å; S401-F405 WeakPolarHBondContact O-CD2 3.48Å; S401-F405 PolarHBondContact O-N 2.97Å; S401-F405 VanDerWaalsContact O-N 3.08Å
402	L	94.5	Very high	92.1	Very high	66 Å²	66	58.6 Å²	58.6	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-56.7	-35.2	175.3	-72.3	174.4	0	0	0	112.5	E404 F405 H406 V412 V414	L402-E404 VanDerWaalsContact C-N 3.34Å; L402-E404 PolarHBondContact O-N 3.02Å; L402-F405 PolarHBondContact O-N 3.13Å; L402-H406 PolarHBondContact O-CD2 3.29Å; L402-H406 PolarHBondContact O-N 3.49Å; L402-V412 HydrophobicContact CD2-CG1 3.69Å; L402-V414 HydrophobicContact CD2-CG2 3.72Å
403	A	94.8	Very high	92.3	Very high	61 Å²	61	57.8 Å²	57.8	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.3	0	0	0	0	0	112.2	S401 F405 H406 N407	S401-A403 PolarHBondContact O-N 3.41Å; A403-F405 VanDerWaalsContact C-N 3.34Å; A403-H406 PolarHBondContact O-N 3.21Å; A403-N407 PolarHBondContact O-N 3.27Å; A403-N407 PolarHBondContact O-ND2 2.96Å; A403-N407 PolarHBondContact O-OD1 3.09Å
404	E	94.9	Very high	92.9	Very high	51 Å²	51	51.3 Å²	51.3	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-73.9	-25.3	177.5	-66.8	168.2	107	0	0	113	H265 Q267 P400 S401 L402	H265-E404 IonicContact CE1-OE1 3.79Å; H265-E404 PolarHBondContact CE1-OE1 3.23Å; H265-E404 IonicContact NE2-OE1 2.78Å; Q267-E404 PolarHBondContact NE2-OE1 3.11Å; P400-E404 HydrophobicContact CB-CB 4.27Å; S401-E404 WeakPolarHBondContact CB-OE2 3.18Å; S401-E404 PolarHBondContact N-OE2 3.28Å; S401-E404 PolarHBondContact O-N 3.45Å; S401-E404 VanDerWaalsContact OG-CG 3.3Å; S401-E404 WeakPolarHBondContact OG-CG 3.36Å; S401-E404 PolarHBondContact OG-N 3.39Å; S401-E404 PolarHBondContact OG-OE2 3.47Å; L402-E404 VanDerWaalsContact C-N 3.34Å; L402-E404 PolarHBondContact O-N 3.02Å
405	F	96.4	Very high	93.6	Very high	3 Å²	3	44 Å²	44	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-71.7	-44.2	166.5	-76.3	-68.4	0	0	0	112.1	P266 P400 S401 L402 A403 N407 A408 F409 V412 V414 N421	P266-F405 HydrophobicContact CG-CD1 3.86Å; P266-F405 HydrophobicContact CG-CE1 3.89Å; P400-F405 HydrophobicContact CB-CD2 4.01Å; P400-F405 HydrophobicContact CB-CE1 4.45Å; P400-F405 HydrophobicContact CB-CE2 3.65Å; P400-F405 HydrophobicContact CB-CZ 3.91Å; P400-F405 HydrophobicContact CG-CE1 4.07Å; P400-F405 HydrophobicContact CG-CE2 3.75Å; P400-F405 HydrophobicContact CG-CZ 3.51Å; P400-F405 WeakPolarHBondContact O-CE2 3.46Å; S401-F405 WeakPolarHBondContact O-CD2 3.48Å; S401-F405 PolarHBondContact O-N 2.97Å; S401-F405 VanDerWaalsContact O-N 3.08Å; L402-F405 PolarHBondContact O-N 3.13Å; A403-F405 VanDerWaalsContact C-N 3.34Å; F405-N407 VanDerWaalsContact C-N 3.28Å; F405-N407 PolarHBondContact O-N 2.95Å; F405-A408 CarbonylContact O-C 3.51Å; F405-A408 PolarHBondContact O-N 3.35Å; F405-F409 HydrophobicContact CD1-CD2 4.05Å; F405-F409 AromaticContact CD1-CE2 3.94Å; F405-F409 HydrophobicContact CD1-CE2 3.94Å; F405-F409 HydrophobicContact CE1-CE2 4.5Å; F405-F409 WeakPolarHBondContact O-CD2 3.31Å; F405-F409 PolarHBondContact O-N 3.32Å; F405-V412 HydrophobicContact CB-CB 4.43Å; F405-V412 HydrophobicContact CB-CG1 3.7Å; F405-V412 HydrophobicContact CB-CG2 3.77Å; F405-V412 HydrophobicContact CG-CG1 4.31Å; F405-V414 HydrophobicContact CD2-CG2 3.52Å; F405-V414 HydrophobicContact CE2-CB 4.36Å; F405-V414 HydrophobicContact CE2-CG1 3.85Å; F405-V414 HydrophobicContact CE2-CG2 3.49Å; F405-V414 VanDerWaalsContact CE2-CG2 3.49Å; F405-V414 HydrophobicContact CG-CG2 4.15Å; F405-V414 HydrophobicContact CZ-CG1 4.06Å; F405-V414 HydrophobicContact CZ-CG2 4.1Å; F405-N421 HydrophobicContact CD1-CB 3.78Å; F405-N421 HydrophobicContact CE1-CB 3.91Å
406	H	96.1	Very high	94.2	Very high	49 Å²	49	42.3 Å²	42.3	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-30.4	176.5	-75.4	-63.8	0	0	0	113	V386 S387 G388 L402 A403 A408 V412	V386-H406 PolarHBondContact O-NE2 3.37Å; S387-H406 PolarHBondContact O-NE2 3Å; G388-H406 PolarHBondContact N-NE2 2.79Å; L402-H406 PolarHBondContact O-CD2 3.29Å; L402-H406 PolarHBondContact O-N 3.49Å; A403-H406 PolarHBondContact O-N 3.21Å; H406-A408 PolarHBondContact O-N 3.27Å; H406-V412 HydrophobicContact CB-CG2 4.46Å; H406-V412 VanDerWaalsContact ND1-CG2 3.35Å; H406-V412 WeakPolarHBondContact ND1-CG2 3.42Å
407	N	94.4	Very high	94.5	Very high	136 Å²	136	40.2 Å²	40.2	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.4	171	-71.7	-18.5	0	0	0	113.8	A403 F405	A403-N407 PolarHBondContact O-N 3.27Å; A403-N407 PolarHBondContact O-ND2 2.96Å; A403-N407 PolarHBondContact O-OD1 3.09Å; F405-N407 VanDerWaalsContact C-N 3.28Å; F405-N407 PolarHBondContact O-N 2.95Å
408	A	94.3	Very high	94.9	Very high	28 Å²	28	34.2 Å²	34.2	23%	0.231	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-21	-175.1	0	0	0	0	0	114.5	P266 P292 F405 H406	P266-A408 HydrophobicContact CB-CB 3.83Å; P292-A408 HydrophobicContact CB-CB 3.94Å; P292-A408 HydrophobicContact CG-CB 4.16Å; F405-A408 CarbonylContact O-C 3.51Å; F405-A408 PolarHBondContact O-N 3.35Å; H406-A408 PolarHBondContact O-N 3.27Å
409	F	95.8	Very high	95.1	Very high	15 Å²	15	31.4 Å²	31.4	7%	0.066	19%	0.187	C	C	.	.			trans	-139.6	145.2	-172.8	-58.2	-70.8	0	0	0	112.1	P266 P292 H293 F405 V411 N421 A424	P266-F409 HydrophobicContact CG-CE2 4.48Å; P292-F409 HydrophobicContact CB-CE1 3.99Å; P292-F409 HydrophobicContact CB-CE2 4.21Å; P292-F409 HydrophobicContact CB-CZ 3.63Å; H293-F409 AromaticContact NE2-CD1 3.96Å; F405-F409 HydrophobicContact CD1-CD2 4.05Å; F405-F409 AromaticContact CD1-CE2 3.94Å; F405-F409 HydrophobicContact CD1-CE2 3.94Å; F405-F409 HydrophobicContact CE1-CE2 4.5Å; F405-F409 WeakPolarHBondContact O-CD2 3.31Å; F405-F409 PolarHBondContact O-N 3.32Å; F409-V411 VanDerWaalsContact C-N 3.35Å; F409-V411 PolarHBondContact O-N 3.03Å; F409-N421 VanDerWaalsContact CB-ND2 3.35Å; F409-N421 WeakPolarHBondContact CB-ND2 3.33Å; F409-N421 HydrophobicContact CD2-CB 4.01Å; F409-N421 VanDerWaalsContact CD2-ND2 3.33Å; F409-N421 WeakPolarHBondContact CD2-ND2 3.29Å; F409-N421 HydrophobicContact CE2-CB 3.99Å; F409-N421 VanDerWaalsContact CG-ND2 3.31Å; F409-N421 WeakPolarHBondContact CG-ND2 3.38Å; F409-A424 HydrophobicContact CD1-CB 3.89Å; F409-A424 WeakPolarHBondContact CD1-O 3.45Å; F409-A424 HydrophobicContact CE1-CB 3.5Å; F409-A424 VanDerWaalsContact CE1-CB 3.5Å; F409-A424 HydrophobicContact CZ-CB 3.95Å
410	Q	95.7	Very high	95.3	Very high	74 Å²	74	31.1 Å²	31.1	35%	0.346	18%	0.182	S	C	.	.	S	Bend	trans	-74.1	-20.9	179.7	-68.9	-166.9	-24.4	0	0	114.6	T385 A428	T385-Q410 WeakPolarHBondContact CA-O 3.33Å; T385-Q410 WeakPolarHBondContact CB-O 3.43Å; T385-Q410 WeakPolarHBondContact CG2-O 3.14Å; Q410-A428 HydrophobicContact CB-CB 4.22Å
411	V	97.6	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-139.3	128.7	-178.4	-175.6	0	0	0	0	108	L384 T385 F409 N421 C423 M426 Y431	L384-V411 HydrophobicContact CB-CG1 3.88Å; T385-V411 HydrophobicContact CG2-CG2 4.03Å; F409-V411 VanDerWaalsContact C-N 3.35Å; F409-V411 PolarHBondContact O-N 3.03Å; V411-N421 PolarHBondContact O-ND2 2.74Å; V411-N421 PolarHBondContact O-OD1 3.35Å; V411-C423 HydrophobicContact CB-CB 4.02Å; V411-C423 HydrophobicContact CG1-CB 3.74Å; V411-M426 HydrophobicContact CB-CB 4.32Å; V411-M426 HydrophobicContact CB-CG 4.49Å; V411-M426 HydrophobicContact CG1-SD 4.19Å; V411-M426 HydrophobicContact CG2-CB 4.28Å; V411-M426 HydrophobicContact CG2-CG 4.09Å; V411-M426 WeakPolarHBondContact CG2-O 3.31Å; V411-Y431 HydrophobicContact CG1-CD2 4.15Å; V411-Y431 HydrophobicContact CG1-CG 4.25Å; V411-Y431 HydrophobicContact CG2-CG 4.45Å
412	V	98	Very high	95.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.			trans	-118.6	112.7	-175.1	178.1	0	0	0	0	112	L384 G388 I389 L402 F405 H406 V414	L384-V412 PolarHBondContact O-N 3.15Å; G388-V412 CarbonylContact C-O 3.45Å; G388-V412 WeakPolarHBondContact CA-O 3.15Å; I389-V412 PolarHBondContact N-O 3.34Å; L402-V412 HydrophobicContact CD2-CG1 3.69Å; F405-V412 HydrophobicContact CB-CB 4.43Å; F405-V412 HydrophobicContact CB-CG1 3.7Å; F405-V412 HydrophobicContact CB-CG2 3.77Å; F405-V412 HydrophobicContact CG-CG1 4.31Å; H406-V412 HydrophobicContact CB-CG2 4.46Å; H406-V412 VanDerWaalsContact ND1-CG2 3.35Å; H406-V412 WeakPolarHBondContact ND1-CG2 3.42Å; V412-V414 HydrophobicContact CG1-CG2 3.79Å
413	F	97.7	Very high	95.6	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	97.7	167.1	-171.9	179.1	0	0	0	108.8	L348 M351 L352 I389 L391 N421 M422 C423	L348-F413 HydrophobicContact CD2-CD1 4.21Å; M351-F413 HydrophobicContact CB-CE1 4.07Å; M351-F413 HydrophobicContact CB-CZ 3.89Å; L352-F413 HydrophobicContact CB-CE1 4.21Å; I389-F413 HydrophobicContact CD1-CD1 4.25Å; I389-F413 HydrophobicContact CD1-CD2 3.64Å; I389-F413 HydrophobicContact CD1-CE1 4.23Å; I389-F413 HydrophobicContact CD1-CE2 3.6Å; I389-F413 HydrophobicContact CD1-CG 3.97Å; I389-F413 HydrophobicContact CD1-CZ 3.9Å; I389-F413 HydrophobicContact CG1-CB 4.26Å; I389-F413 HydrophobicContact CG1-CD2 3.51Å; I389-F413 HydrophobicContact CG1-CE2 3.93Å; I389-F413 HydrophobicContact CG1-CG 3.91Å; I389-F413 WeakPolarHBondContact O-CA 3.28Å; L391-F413 HydrophobicContact CD1-CE2 3.95Å; L391-F413 HydrophobicContact CD1-CZ 4.24Å; L391-F413 HydrophobicContact CG-CE2 4.03Å; F413-N421 PolarHBondContact N-OD1 3.01Å; F413-N421 PolarHBondContact O-OD1 2.98Å; F413-M422 HydrophobicContact CB-CE 4.49Å; F413-M422 HydrophobicContact CD1-CE 3.9Å; F413-M422 HydrophobicContact CD2-CE 3.47Å; F413-M422 VanDerWaalsContact CD2-CE 3.47Å; F413-M422 HydrophobicContact CE1-CE 3.95Å; F413-M422 HydrophobicContact CE2-CE 3.55Å; F413-M422 HydrophobicContact CG-CE 3.68Å; F413-M422 HydrophobicContact CZ-CE 3.8Å; F413-M422 PolarHBondContact O-N 3.39Å; F413-C423 HydrophobicContact CB-CB 4.31Å
414	V	97.3	Very high	95.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.4	-176.9	-171	0	0	0	0	111.1	I389 L391 L402 F405 V412 G418 L420	I389-V414 PolarHBondContact O-N 2.95Å; L391-V414 PolarHBondContact N-O 3.03Å; L402-V414 HydrophobicContact CD2-CG2 3.72Å; F405-V414 HydrophobicContact CD2-CG2 3.52Å; F405-V414 HydrophobicContact CE2-CB 4.36Å; F405-V414 HydrophobicContact CE2-CG1 3.85Å; F405-V414 HydrophobicContact CE2-CG2 3.49Å; F405-V414 VanDerWaalsContact CE2-CG2 3.49Å; F405-V414 HydrophobicContact CG-CG2 4.15Å; F405-V414 HydrophobicContact CZ-CG1 4.06Å; F405-V414 HydrophobicContact CZ-CG2 4.1Å; V412-V414 HydrophobicContact CG1-CG2 3.79Å; V414-G418 WeakPolarHBondContact CG1-O 3.28Å; V414-L420 WeakPolarHBondContact CA-O 3.16Å
415	D	95.7	Very high	95.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.136	C	C	.	.			trans	-71.4	171.2	-178.5	96.4	-69.9	0	0	0	113.6	H307 S417 G418 L420 M422	H307-D415 IonicContact CD2-OD2 3.97Å; H307-D415 IonicContact CE1-OD2 2.72Å; H307-D415 IonicContact NE2-OD2 3.25Å; H307-D415 PolarHBondContact NE2-OD2 3.29Å; D415-S417 VanDerWaalsContact CG-N 3.29Å; D415-S417 VanDerWaalsContact CG-OG 3.25Å; D415-S417 PolarHBondContact O-N 3.14Å; D415-S417 VanDerWaalsContact O-N 3.13Å; D415-S417 WeakPolarHBondContact OD1-CB 3.25Å; D415-S417 PolarHBondContact OD1-N 2.94Å; D415-S417 PolarHBondContact OD1-OG 3.46Å; D415-S417 VanDerWaalsContact OD2-CB 3.29Å; D415-S417 WeakPolarHBondContact OD2-CB 3.4Å; D415-S417 PolarHBondContact OD2-N 3.28Å; D415-S417 PolarHBondContact OD2-OG 3.5Å; D415-S417 VanDerWaalsContact OD2-OG 3.14Å; D415-G418 PolarHBondContact O-N 2.92Å; D415-G418 PolarHBondContact OD1-N 2.77Å; D415-L420 HydrophobicContact CB-CB 4.18Å; D415-L420 PolarHBondContact N-O 2.94Å; D415-L420 WeakPolarHBondContact OD1-CB 3.47Å; D415-L420 PolarHBondContact OD1-N 2.86Å; D415-M422 HydrophobicContact CB-CE 4.39Å; D415-M422 HydrophobicContact CB-CG 3.74Å; D415-M422 HydrophobicContact CB-SD 3.72Å
416	P	94.9	Very high	95.3	Very high	35 Å²	35	24.7 Å²	24.7	23%	0.227	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.6	176.9	-24.6	33.9	0	0	0	115.3	F310 M351 L391 G418	F310-P416 HydrophobicContact CB-CG 4.45Å; F310-P416 HydrophobicContact CD1-CG 3.57Å; F310-P416 HydrophobicContact CD2-CB 3.98Å; F310-P416 HydrophobicContact CD2-CG 3.81Å; F310-P416 HydrophobicContact CE1-CG 3.68Å; F310-P416 HydrophobicContact CE2-CB 4.18Å; F310-P416 HydrophobicContact CE2-CG 3.9Å; F310-P416 HydrophobicContact CG-CB 4.2Å; F310-P416 HydrophobicContact CG-CG 3.66Å; F310-P416 HydrophobicContact CZ-CG 3.85Å; M351-P416 HydrophobicContact SD-CG 4.5Å; L391-P416 HydrophobicContact CB-CB 4.36Å; L391-P416 HydrophobicContact CB-CG 3.95Å; L391-P416 HydrophobicContact CD1-CG 4.03Å; P416-G418 VanDerWaalsContact C-N 3.35Å
417	S	92.3	Very high	95.3	Very high	37 Å²	37	22.8 Å²	22.8	26%	0.259	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.8	176.4	85.4	0	0	0	0	114	D415 H419	D415-S417 VanDerWaalsContact CG-N 3.29Å; D415-S417 VanDerWaalsContact CG-OG 3.25Å; D415-S417 PolarHBondContact O-N 3.14Å; D415-S417 VanDerWaalsContact O-N 3.13Å; D415-S417 WeakPolarHBondContact OD1-CB 3.25Å; D415-S417 PolarHBondContact OD1-N 2.94Å; D415-S417 PolarHBondContact OD1-OG 3.46Å; D415-S417 VanDerWaalsContact OD2-CB 3.29Å; D415-S417 WeakPolarHBondContact OD2-CB 3.4Å; D415-S417 PolarHBondContact OD2-N 3.28Å; D415-S417 PolarHBondContact OD2-OG 3.5Å; D415-S417 VanDerWaalsContact OD2-OG 3.14Å; S417-H419 PolarHBondContact O-CD2 2.82Å; S417-H419 PolarHBondContact O-N 3.05Å; S417-H419 PolarHBondContact OG-N 3.28Å
418	G	94.1	Very high	95.4	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	81.6	-12.1	-173.4	0	0	0	0	0	114.7	P400 V414 D415 P416	P400-G418 WeakPolarHBondContact CD-O 3.46Å; V414-G418 WeakPolarHBondContact CG1-O 3.28Å; D415-G418 PolarHBondContact O-N 2.92Å; D415-G418 PolarHBondContact OD1-N 2.77Å; P416-G418 VanDerWaalsContact C-N 3.35Å
419	H	93.9	Very high	95.5	Very high	7 Å²	7	16.9 Å²	16.9	3%	0.032	10%	0.099	C	C	.	.	S	Bend	trans	-96.6	-23.7	-174.7	-72.3	-94.3	0	0	0	114.5	P261 L299 D396 T398 S417	P261-H419 HydrophobicContact CB-CB 4.04Å; P261-H419 WeakPolarHBondContact CB-ND1 3.24Å; L299-H419 HydrophobicContact CD1-CB 4.44Å; L299-H419 WeakPolarHBondContact CD1-O 3.32Å; L299-H419 HydrophobicContact CD2-CB 4.36Å; D396-H419 IonicContact OD1-CE1 2.68Å; D396-H419 IonicContact OD1-NE2 3.78Å; D396-H419 PolarHBondContact OD1-NE2 3.38Å; D396-H419 IonicContact OD2-CD2 3.72Å; D396-H419 IonicContact OD2-CE1 2.75Å; D396-H419 IonicContact OD2-NE2 2.74Å; D396-H419 PolarHBondContact OD2-NE2 3.22Å; T398-H419 PolarHBondContact O-CE1 2.87Å; S417-H419 PolarHBondContact O-CD2 2.82Å; S417-H419 PolarHBondContact O-N 3.05Å; S417-H419 PolarHBondContact OG-N 3.28Å
420	L	95.4	Very high	95.6	Very high	15 Å²	15	16.2 Å²	16.2	8%	0.079	10%	0.096	C	C	.	.			trans	-108.9	121.7	-175.2	176.7	64	0	0	0	112	L299 L303 V414 D415 M422	L299-L420 HydrophobicContact CB-CB 4.41Å; L299-L420 HydrophobicContact CB-CD1 3.97Å; L303-L420 HydrophobicContact CD1-CB 3.96Å; L303-L420 HydrophobicContact CD1-CD2 4.04Å; V414-L420 WeakPolarHBondContact CA-O 3.16Å; D415-L420 HydrophobicContact CB-CB 4.18Å; D415-L420 PolarHBondContact N-O 2.94Å; D415-L420 WeakPolarHBondContact OD1-CB 3.47Å; D415-L420 PolarHBondContact OD1-N 2.86Å; L420-M422 PolarHBondContact O-N 3.13Å
421	N	96.8	Very high	95.6	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-75.2	112.9	158.6	-178.7	15.6	0	0	0	109.4	F405 F409 V411 F413 C423 A424	F405-N421 HydrophobicContact CD1-CB 3.78Å; F405-N421 HydrophobicContact CE1-CB 3.91Å; F409-N421 VanDerWaalsContact CB-ND2 3.35Å; F409-N421 WeakPolarHBondContact CB-ND2 3.33Å; F409-N421 HydrophobicContact CD2-CB 4.01Å; F409-N421 VanDerWaalsContact CD2-ND2 3.33Å; F409-N421 WeakPolarHBondContact CD2-ND2 3.29Å; F409-N421 HydrophobicContact CE2-CB 3.99Å; F409-N421 VanDerWaalsContact CG-ND2 3.31Å; F409-N421 WeakPolarHBondContact CG-ND2 3.38Å; V411-N421 PolarHBondContact O-ND2 2.74Å; V411-N421 PolarHBondContact O-OD1 3.35Å; F413-N421 PolarHBondContact N-OD1 3.01Å; F413-N421 PolarHBondContact O-OD1 2.98Å; N421-C423 VanDerWaalsContact C-N 3.28Å; N421-C423 PolarHBondContact O-N 2.98Å; N421-C423 PolarHBondContact OD1-N 2.86Å; N421-A424 WeakPolarHBondContact O-CB 3.49Å; N421-A424 PolarHBondContact O-N 2.87Å
422	M	95.7	Very high	95.6	Very high	28 Å²	28	15.7 Å²	15.7	14%	0.138	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.6	179.6	-56.7	-178.6	-67.6	0	0	112.4	F347 L348 M351 L391 F413 D415 L420	F347-M422 HydrophobicContact CE1-CG 4.39Å; F347-M422 HydrophobicContact CE1-SD 3.78Å; F347-M422 HydrophobicContact CZ-SD 4.04Å; L348-M422 HydrophobicContact CD2-CB 3.6Å; M351-M422 HydrophobicContact CB-CE 3.92Å; M351-M422 HydrophobicContact CB-SD 4.31Å; M351-M422 HydrophobicContact CE-SD 4.4Å; M351-M422 HydrophobicContact CG-CE 4.08Å; M351-M422 HydrophobicContact CG-SD 3.82Å; M351-M422 HydrophobicContact SD-SD 4.36Å; L391-M422 HydrophobicContact CD1-CE 4.13Å; F413-M422 HydrophobicContact CB-CE 4.49Å; F413-M422 HydrophobicContact CD1-CE 3.9Å; F413-M422 HydrophobicContact CD2-CE 3.47Å; F413-M422 VanDerWaalsContact CD2-CE 3.47Å; F413-M422 HydrophobicContact CE1-CE 3.95Å; F413-M422 HydrophobicContact CE2-CE 3.55Å; F413-M422 HydrophobicContact CG-CE 3.68Å; F413-M422 HydrophobicContact CZ-CE 3.8Å; F413-M422 PolarHBondContact O-N 3.39Å; D415-M422 HydrophobicContact CB-CE 4.39Å; D415-M422 HydrophobicContact CB-CG 3.74Å; D415-M422 HydrophobicContact CB-SD 3.72Å; L420-M422 PolarHBondContact O-N 3.13Å
423	C	95.8	Very high	95.6	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.02	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	18.4	175.6	-68.8	0	0	0	0	113.3	V411 F413 N421 D425 M426	V411-C423 HydrophobicContact CB-CB 4.02Å; V411-C423 HydrophobicContact CG1-CB 3.74Å; F413-C423 HydrophobicContact CB-CB 4.31Å; N421-C423 VanDerWaalsContact C-N 3.28Å; N421-C423 PolarHBondContact O-N 2.98Å; N421-C423 PolarHBondContact OD1-N 2.86Å; C423-D425 VanDerWaalsContact C-N 3.33Å; C423-D425 PolarHBondContact O-N 3.32Å; C423-M426 HydrophobicContact CB-CB 4.13Å; C423-M426 VanDerWaalsContact O-CB 3.28Å; C423-M426 WeakPolarHBondContact O-CB 3.33Å; C423-M426 PolarHBondContact O-N 3.37Å
424	A	93.4	Very high	95.6	Very high	14 Å²	14	16.8 Å²	16.8	12%	0.116	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-46.9	-174.6	0	0	0	0	0	114.2	H293 F409 N421 M426	H293-A424 PolarHBondContact CE1-O 3.17Å; F409-A424 HydrophobicContact CD1-CB 3.89Å; F409-A424 WeakPolarHBondContact CD1-O 3.45Å; F409-A424 HydrophobicContact CE1-CB 3.5Å; F409-A424 VanDerWaalsContact CE1-CB 3.5Å; F409-A424 HydrophobicContact CZ-CB 3.95Å; N421-A424 WeakPolarHBondContact O-CB 3.49Å; N421-A424 PolarHBondContact O-N 2.87Å; A424-M426 VanDerWaalsContact C-N 3.33Å; A424-M426 PolarHBondContact O-N 3.48Å
425	D	91.9	Very high	95.6	Very high	57 Å²	57	18.3 Å²	18.3	31%	0.305	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.9	-178.9	-63.2	-38	0	0	0	113.6	H293 G342 C423	H293-D425 IonicContact CE1-OD1 2.69Å; H293-D425 IonicContact CG-OD1 3.23Å; H293-D425 IonicContact ND1-OD1 3.53Å; H293-D425 PolarHBondContact ND1-OD1 2.99Å; G342-D425 WeakPolarHBondContact CA-O 3.49Å; C423-D425 VanDerWaalsContact C-N 3.33Å; C423-D425 PolarHBondContact O-N 3.32Å
426	M	95.3	Very high	95.6	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.044	12%	0.115	C	C	.	.			trans	-89.9	126.3	-179.6	-171.6	172.3	-64.6	0	0	111.3	C343 F344 L348 V411 C423 A424 T430 Y431	C343-M426 VanDerWaalsContact O-CE 3.29Å; C343-M426 WeakPolarHBondContact O-CE 3.36Å; F344-M426 HydrophobicContact CB-CE 3.99Å; F344-M426 HydrophobicContact CD2-CE 3.95Å; F344-M426 HydrophobicContact CD2-SD 4.49Å; F344-M426 HydrophobicContact CG-CE 4.44Å; L348-M426 HydrophobicContact CD1-CE 3.72Å; V411-M426 HydrophobicContact CB-CB 4.32Å; V411-M426 HydrophobicContact CB-CG 4.49Å; V411-M426 HydrophobicContact CG1-SD 4.19Å; V411-M426 HydrophobicContact CG2-CB 4.28Å; V411-M426 HydrophobicContact CG2-CG 4.09Å; V411-M426 WeakPolarHBondContact CG2-O 3.31Å; C423-M426 HydrophobicContact CB-CB 4.13Å; C423-M426 VanDerWaalsContact O-CB 3.28Å; C423-M426 WeakPolarHBondContact O-CB 3.33Å; C423-M426 PolarHBondContact O-N 3.37Å; A424-M426 VanDerWaalsContact C-N 3.33Å; A424-M426 PolarHBondContact O-N 3.48Å; M426-T430 HydrophobicContact CG-CG2 4.26Å; M426-Y431 HydrophobicContact SD-CD2 4.37Å
427	T	95.8	Very high	95.6	Very high	8 Å²	8	19.2 Å²	19.2	5%	0.049	11%	0.106	C	C	.	.			trans	-76.8	154.7	175.9	74.8	0	0	0	0	111.4	S429 T430 Y431 L504 L508 H524	T427-S429 PolarHBondContact O-N 2.99Å; T427-S429 PolarHBondContact OG1-N 3.31Å; T427-T430 PolarHBondContact O-N 2.88Å; T427-T430 PolarHBondContact OG1-N 2.94Å; T427-T430 PolarHBondContact OG1-OG1 3.19Å; T427-T430 VanDerWaalsContact OG1-OG1 3.11Å; T427-Y431 PolarHBondContact O-N 2.98Å; T427-Y431 VanDerWaalsContact O-N 3.14Å; T427-L504 HydrophobicContact CG2-CD2 3.89Å; T427-L504 HydrophobicContact CG2-CG 4.38Å; T427-L508 HydrophobicContact CG2-CD1 3.87Å; T427-H524 WeakPolarHBondContact CG2-NE2 3.41Å; T427-H524 PolarHBondContact OG1-NE2 3.36Å
428	A	96.3	Very high	95.8	Very high	28 Å²	28	17.5 Å²	17.5	23%	0.231	9%	0.094	C	C	.	.	H	α-helix	trans	-55.4	-38.8	170.1	0	0	0	0	0	111.5	T385 Q410 Y431 K432	T385-A428 HydrophobicContact CG2-CB 3.83Å; Q410-A428 HydrophobicContact CB-CB 4.22Å; A428-Y431 PolarHBondContact O-N 2.72Å; A428-K432 WeakPolarHBondContact O-CB 3.29Å; A428-K432 WeakPolarHBondContact O-CG 3.44Å; A428-K432 PolarHBondContact O-N 2.83Å
429	S	96.6	Very high	95.9	Very high	13 Å²	13	19.5 Å²	19.5	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-43	177	-63.9	0	0	0	0	112.9	T427 Y431 K432 Q433	T427-S429 PolarHBondContact O-N 2.99Å; T427-S429 PolarHBondContact OG1-N 3.31Å; S429-Y431 VanDerWaalsContact C-N 3.35Å; S429-Y431 PolarHBondContact O-N 3.11Å; S429-K432 PolarHBondContact O-N 3.17Å; S429-Q433 WeakPolarHBondContact O-CB 3.29Å; S429-Q433 PolarHBondContact O-N 3Å
430	T	96.9	Very high	95.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.8	-55.9	0	0	0	0	111.1	M426 T427 Q433 L434 H524 L526	M426-T430 HydrophobicContact CG-CG2 4.26Å; T427-T430 PolarHBondContact O-N 2.88Å; T427-T430 PolarHBondContact OG1-N 2.94Å; T427-T430 PolarHBondContact OG1-OG1 3.19Å; T427-T430 VanDerWaalsContact OG1-OG1 3.11Å; T430-Q433 PolarHBondContact O-N 3.02Å; T430-L434 PolarHBondContact O-N 3.47Å; T430-H524 PolarHBondContact OG1-NE2 3.47Å; T430-L526 HydrophobicContact CG2-CD2 4.01Å
431	Y	97.5	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-39	176.7	-171.9	-96.1	0	0	0	112.5	L379 T382 L384 T385 V411 M426 T427 A428 S429 Q433 L434 Q435	L379-Y431 HydrophobicContact CD2-CE2 4.18Å; T382-Y431 PolarHBondContact O-OH 2.97Å; L384-Y431 HydrophobicContact CB-CD1 4.35Å; L384-Y431 HydrophobicContact CB-CD2 4.24Å; L384-Y431 HydrophobicContact CB-CE1 4Å; L384-Y431 HydrophobicContact CB-CE2 3.87Å; L384-Y431 HydrophobicContact CB-CG 4.49Å; L384-Y431 HydrophobicContact CD1-CD2 4.46Å; L384-Y431 HydrophobicContact CD1-CE2 3.73Å; L384-Y431 HydrophobicContact CG-CE1 4.33Å; L384-Y431 HydrophobicContact CG-CE2 3.78Å; T385-Y431 HydrophobicContact CG2-CD1 4.06Å; T385-Y431 HydrophobicContact CG2-CG 4.49Å; V411-Y431 HydrophobicContact CG1-CD2 4.15Å; V411-Y431 HydrophobicContact CG1-CG 4.25Å; V411-Y431 HydrophobicContact CG2-CG 4.45Å; M426-Y431 HydrophobicContact SD-CD2 4.37Å; T427-Y431 PolarHBondContact O-N 2.98Å; T427-Y431 VanDerWaalsContact O-N 3.14Å; A428-Y431 PolarHBondContact O-N 2.72Å; S429-Y431 VanDerWaalsContact C-N 3.35Å; S429-Y431 PolarHBondContact O-N 3.11Å; Y431-Q433 VanDerWaalsContact C-N 3.34Å; Y431-Q433 PolarHBondContact O-N 3.41Å; Y431-L434 HydrophobicContact CD2-CD2 4.15Å; Y431-L434 HydrophobicContact CE2-CD2 4.1Å; Y431-L434 WeakPolarHBondContact O-CB 3.28Å; Y431-L434 PolarHBondContact O-N 2.92Å; Y431-Q435 HydrophobicContact CE1-CB 4.36Å; Y431-Q435 WeakPolarHBondContact O-CB 3.35Å; Y431-Q435 PolarHBondContact O-N 3.03Å
432	K	96.9	Very high	95.5	Very high	62 Å²	62	19.9 Å²	19.9	27%	0.27	11%	0.11	S	C	.	.	H	α-helix	trans	-66	-33.6	173.9	-69.4	-47.7	-171.6	-168.9	0	112.8	D383 A428 S429 H436 L521	D383-K432 IonicContact OD1-NZ 3.67Å; D383-K432 PolarHBondContact OD1-NZ 2.88Å; D383-K432 IonicContact OD2-NZ 2.67Å; D383-K432 PolarHBondContact OD2-NZ 3.38Å; A428-K432 WeakPolarHBondContact O-CB 3.29Å; A428-K432 WeakPolarHBondContact O-CG 3.44Å; A428-K432 PolarHBondContact O-N 2.83Å; S429-K432 PolarHBondContact O-N 3.17Å; K432-H436 VanDerWaalsContact O-CB 3.25Å; K432-H436 WeakPolarHBondContact O-CB 3.47Å; K432-H436 PolarHBondContact O-N 3.44Å; K432-L521 HydrophobicContact CB-CD1 4Å
433	Q	97.2	Very high	95.2	Very high	24 Å²	24	24.3 Å²	24.3	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-44.8	170.8	-177.5	177.9	-16.4	0	0	111.4	L337 S429 T430 Y431 H436 E437 L521 T523	L337-Q433 HydrophobicContact CD2-CG 4.2Å; S429-Q433 WeakPolarHBondContact O-CB 3.29Å; S429-Q433 PolarHBondContact O-N 3Å; T430-Q433 PolarHBondContact O-N 3.02Å; Y431-Q433 VanDerWaalsContact C-N 3.34Å; Y431-Q433 PolarHBondContact O-N 3.41Å; Q433-H436 PolarHBondContact O-N 3.42Å; Q433-E437 WeakPolarHBondContact O-CB 3.46Å; Q433-E437 WeakPolarHBondContact O-CG 3.48Å; Q433-E437 PolarHBondContact O-N 2.78Å; Q433-L521 HydrophobicContact CB-CD2 4.2Å; Q433-L521 HydrophobicContact CG-CD2 4.26Å; Q433-T523 HydrophobicContact CB-CG2 4.12Å; Q433-T523 HydrophobicContact CG-CG2 3.86Å; Q433-T523 VanDerWaalsContact OE1-CB 3.26Å; Q433-T523 VanDerWaalsContact OE1-CG2 3.27Å
434	L	97.1	Very high	94.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-45.9	175.4	-178	70	0	0	0	112.1	W331 L332 L337 F344 L379 T430 Y431 A438	W331-L434 HydrophobicContact CH2-CD1 4.04Å; W331-L434 HydrophobicContact CZ3-CD1 3.69Å; L332-L434 HydrophobicContact CD2-CD1 3.69Å; L337-L434 HydrophobicContact CD1-CB 4.46Å; L337-L434 HydrophobicContact CD1-CD1 3.96Å; F344-L434 HydrophobicContact CB-CD1 4.41Å; F344-L434 HydrophobicContact CB-CD2 4Å; F344-L434 HydrophobicContact CD1-CD1 4.49Å; F344-L434 HydrophobicContact CD1-CD2 4.2Å; F344-L434 HydrophobicContact CD2-CD2 3.4Å; F344-L434 HydrophobicContact CE2-CD2 3.89Å; F344-L434 HydrophobicContact CG-CD1 4.37Å; F344-L434 HydrophobicContact CG-CD2 3.59Å; F344-L434 HydrophobicContact CZ-CD2 4.47Å; L379-L434 HydrophobicContact CD1-CD1 4.21Å; L379-L434 HydrophobicContact CD1-CD2 4.24Å; L379-L434 HydrophobicContact CD1-CG 4.15Å; L379-L434 HydrophobicContact CD2-CD2 3.78Å; L379-L434 HydrophobicContact CD2-CG 4.28Å; T430-L434 PolarHBondContact O-N 3.47Å; Y431-L434 HydrophobicContact CD2-CD2 4.15Å; Y431-L434 HydrophobicContact CE2-CD2 4.1Å; Y431-L434 WeakPolarHBondContact O-CB 3.28Å; Y431-L434 PolarHBondContact O-N 2.92Å; L434-A438 VanDerWaalsContact O-CB 3.28Å; L434-A438 WeakPolarHBondContact O-CB 3.31Å; L434-A438 PolarHBondContact O-N 2.84Å
435	Q	97.3	Very high	94.3	Very high	34 Å²	34	25.6 Å²	25.6	16%	0.159	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176.7	172.7	168.4	83.5	0	0	112.2	L379 T382 Y431 A438 S439	L379-Q435 WeakPolarHBondContact O-CG 3.25Å; T382-Q435 PolarHBondContact O-NE2 3.26Å; Y431-Q435 HydrophobicContact CE1-CB 4.36Å; Y431-Q435 WeakPolarHBondContact O-CB 3.35Å; Y431-Q435 PolarHBondContact O-N 3.03Å; Q435-A438 PolarHBondContact O-N 3.41Å; Q435-S439 WeakPolarHBondContact O-CB 3.41Å; Q435-S439 PolarHBondContact O-N 3.34Å
436	H	96.4	Very high	93.8	Very high	49 Å²	49	27.6 Å²	27.6	23%	0.227	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-50.3	175.5	178.6	80.9	0	0	0	111.6	K432 Q433 A438 S439 V440 L521	K432-H436 VanDerWaalsContact O-CB 3.25Å; K432-H436 WeakPolarHBondContact O-CB 3.47Å; K432-H436 PolarHBondContact O-N 3.44Å; Q433-H436 PolarHBondContact O-N 3.42Å; H436-A438 VanDerWaalsContact C-N 3.29Å; H436-A438 PolarHBondContact O-N 3.21Å; H436-S439 PolarHBondContact O-N 3.37Å; H436-V440 WeakPolarHBondContact O-CB 3.3Å; H436-V440 WeakPolarHBondContact O-CG2 3.45Å; H436-V440 PolarHBondContact O-N 3.03Å; H436-L521 HydrophobicContact CB-CD2 4.1Å
437	E	96.1	Very high	93.2	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-38.2	177.3	-80.9	-63.5	140.1	0	0	112.4	W331 R335 Q433 S441 K461	W331-E437 HydrophobicContact CH2-CB 3.97Å; W331-E437 HydrophobicContact CZ2-CB 4Å; R335-E437 WeakPolarHBondContact CD-OE2 3.36Å; R335-E437 HydrophobicContact CG-CG 4.43Å; R335-E437 IonicContact CZ-OE2 3.29Å; R335-E437 IonicContact NE-OE2 3.29Å; R335-E437 PolarHBondContact NE-OE2 3.38Å; Q433-E437 WeakPolarHBondContact O-CB 3.46Å; Q433-E437 WeakPolarHBondContact O-CG 3.48Å; Q433-E437 PolarHBondContact O-N 2.78Å; E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.28Å; E437-S441 PolarHBondContact O-OG 2.88Å; E437-K461 WeakPolarHBondContact OE1-CE 3.37Å; E437-K461 IonicContact OE1-NZ 3.49Å; E437-K461 PolarHBondContact OE1-NZ 2.9Å; E437-K461 IonicContact OE2-NZ 3.58Å; E437-K461 PolarHBondContact OE2-NZ 2.93Å
438	A	96.4	Very high	92.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-45.2	175.4	0	0	0	0	0	111.8	W331 L376 L379 A380 L434 Q435 H436 S441 M442	W331-A438 HydrophobicContact CH2-CB 4.22Å; W331-A438 HydrophobicContact CZ2-CB 4.36Å; L376-A438 HydrophobicContact CD2-CB 4.49Å; L379-A438 HydrophobicContact CB-CB 3.69Å; A380-A438 HydrophobicContact CB-CB 4.17Å; L434-A438 VanDerWaalsContact O-CB 3.28Å; L434-A438 WeakPolarHBondContact O-CB 3.31Å; L434-A438 PolarHBondContact O-N 2.84Å; Q435-A438 PolarHBondContact O-N 3.41Å; H436-A438 VanDerWaalsContact C-N 3.29Å; H436-A438 PolarHBondContact O-N 3.21Å; A438-S441 PolarHBondContact O-N 3.27Å; A438-M442 WeakPolarHBondContact O-CG 3.31Å; A438-M442 PolarHBondContact O-N 3.17Å
439	S	95.1	Very high	91.8	Very high	45 Å²	45	34 Å²	34	32%	0.315	18%	0.179	S	C	.	.	H	α-helix	trans	-61.6	-46.5	176.6	-177.4	0	0	0	0	112.3	Q435 H436 S441 M442 Q443	Q435-S439 WeakPolarHBondContact O-CB 3.41Å; Q435-S439 PolarHBondContact O-N 3.34Å; H436-S439 PolarHBondContact O-N 3.37Å; S439-S441 VanDerWaalsContact C-N 3.32Å; S439-S441 PolarHBondContact O-N 3.15Å; S439-M442 PolarHBondContact O-N 2.7Å; S439-Q443 WeakPolarHBondContact O-CG 3.46Å; S439-Q443 PolarHBondContact O-N 3.35Å
440	V	93.7	Very high	91.2	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-38	174.6	168	0	0	0	0	111.4	H436 M442 Q443 F444	H436-V440 WeakPolarHBondContact O-CB 3.3Å; H436-V440 WeakPolarHBondContact O-CG2 3.45Å; H436-V440 PolarHBondContact O-N 3.03Å; V440-M442 VanDerWaalsContact C-N 3.35Å; V440-M442 PolarHBondContact O-N 3.34Å; V440-Q443 PolarHBondContact O-N 2.76Å; V440-F444 HydrophobicContact CG1-CD2 3.98Å; V440-F444 HydrophobicContact CG1-CE2 3.21Å; V440-F444 HydrophobicContact CG1-CZ 3.55Å; V440-F444 WeakPolarHBondContact O-CD2 3.34Å; V440-F444 PolarHBondContact O-N 3.34Å
441	S	93.7	Very high	90.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-33.3	176.5	-61.3	0	0	0	0	113.2	W331 R335 E437 A438 S439 W445 L456	W331-S441 WeakPolarHBondContact CZ2-OG 3.3Å; W331-S441 PolarHBondContact NE1-OG 3.46Å; R335-S441 PolarHBondContact NH2-OG 2.89Å; R335-S441 VanDerWaalsContact NH2-OG 3.08Å; E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.28Å; E437-S441 PolarHBondContact O-OG 2.88Å; A438-S441 PolarHBondContact O-N 3.27Å; S439-S441 VanDerWaalsContact C-N 3.32Å; S439-S441 PolarHBondContact O-N 3.15Å; S441-W445 PolarHBondContact O-N 3.14Å; S441-L456 WeakPolarHBondContact O-CD1 3.26Å
442	M	90.8	Very high	90.1	Very high	25 Å²	25	39 Å²	39	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-40.8	173.1	-69.9	-59.5	-56.2	0	0	111.6	R373 L376 N377 A438 S439 V440 F444 W445 D446	R373-M442 HydrophobicContact CG-CE 4.02Å; R373-M442 HydrophobicContact CG-SD 4.17Å; L376-M442 HydrophobicContact CB-CG 4.46Å; L376-M442 HydrophobicContact CB-SD 4.02Å; N377-M442 HydrophobicContact CB-CE 4.29Å; N377-M442 HydrophobicContact CB-SD 4.22Å; A438-M442 WeakPolarHBondContact O-CG 3.31Å; A438-M442 PolarHBondContact O-N 3.17Å; S439-M442 PolarHBondContact O-N 2.7Å; V440-M442 VanDerWaalsContact C-N 3.35Å; V440-M442 PolarHBondContact O-N 3.34Å; M442-F444 VanDerWaalsContact C-N 3.35Å; M442-F444 PolarHBondContact O-N 3.13Å; M442-W445 WeakPolarHBondContact O-CB 3.4Å; M442-W445 PolarHBondContact O-N 3.18Å; M442-W445 VanDerWaalsContact O-N 3.08Å; M442-D446 PolarHBondContact O-N 3.31Å
443	Q	89.9	Confident	89.8	Confident	120 Å²	120	36.9 Å²	36.9	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-59.6	-42.9	177	-66.9	169.9	35.9	0	0	112.1	S439 V440 W445 D446 D447	S439-Q443 WeakPolarHBondContact O-CG 3.46Å; S439-Q443 PolarHBondContact O-N 3.35Å; V440-Q443 PolarHBondContact O-N 2.76Å; Q443-W445 VanDerWaalsContact C-N 3.3Å; Q443-W445 PolarHBondContact O-N 3.23Å; Q443-D446 PolarHBondContact O-N 3.28Å; Q443-D447 PolarHBondContact O-N 3.32Å
444	F	87.4	Confident	89.4	Confident	22 Å²	22	40.1 Å²	40.1	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-75	-14.7	176	-55.6	-35	0	0	0	114.3	V440 M442 V450 L456 A885 P886 F887	V440-F444 HydrophobicContact CG1-CD2 3.98Å; V440-F444 HydrophobicContact CG1-CE2 3.21Å; V440-F444 HydrophobicContact CG1-CZ 3.55Å; V440-F444 WeakPolarHBondContact O-CD2 3.34Å; V440-F444 PolarHBondContact O-N 3.34Å; M442-F444 VanDerWaalsContact C-N 3.35Å; M442-F444 PolarHBondContact O-N 3.13Å; F444-V450 HydrophobicContact CB-CG1 4.4Å; F444-L456 HydrophobicContact CB-CD2 4.42Å; F444-L456 HydrophobicContact CD2-CD2 4.12Å; F444-A885 HydrophobicContact CD1-CB 3.78Å; F444-A885 HydrophobicContact CD2-CB 4.19Å; F444-A885 HydrophobicContact CE1-CB 3.72Å; F444-A885 HydrophobicContact CE2-CB 4.13Å; F444-A885 HydrophobicContact CG-CB 4.03Å; F444-A885 HydrophobicContact CZ-CB 3.91Å; F444-P886 HydrophobicContact CD2-CB 4.48Å; F444-P886 VanDerWaalsContact CE2-C 3.44Å; F444-P886 VanDerWaalsContact CE2-CA 3.46Å; F444-P886 HydrophobicContact CE2-CB 4.32Å; F444-P886 WeakPolarHBondContact CE2-O 3.34Å; F444-F887 WeakPolarHBondContact CZ-O 3.4Å
445	W	82.2	Confident	89	Confident	23 Å²	23	40.9 Å²	40.9	9%	0.087	22%	0.218	C	C	.	.	H	α-helix	trans	-76.8	-34.2	173.5	-146	-61.3	0	0	0	111.9	L81 M85 Y369 L372 S441 M442 Q443 L456	L81-W445 HydrophobicContact CD1-CZ2 4.33Å; M85-W445 HydrophobicContact CE-CH2 3.44Å; M85-W445 VanDerWaalsContact CE-CH2 3.44Å; M85-W445 HydrophobicContact CE-CZ2 3.46Å; M85-W445 VanDerWaalsContact CE-CZ2 3.46Å; Y369-W445 HydrophobicContact CD2-CH2 4.34Å; Y369-W445 AromaticContact CD2-CZ2 3.82Å; Y369-W445 HydrophobicContact CD2-CZ2 3.82Å; Y369-W445 HydrophobicContact CE2-CD2 4.32Å; Y369-W445 AromaticContact CE2-CE2 3.44Å; Y369-W445 VanDerWaalsContact CE2-CE2 3.44Å; Y369-W445 HydrophobicContact CE2-CH2 4.2Å; Y369-W445 AromaticContact CE2-CZ2 3.4Å; Y369-W445 HydrophobicContact CE2-CZ2 3.4Å; Y369-W445 AromaticContact CE2-NE1 3.51Å; Y369-W445 AromaticContact CZ-NE1 3.67Å; Y369-W445 PolarHBondContact OH-NE1 3.49Å; L372-W445 HydrophobicContact CD2-CH2 4.17Å; L372-W445 HydrophobicContact CD2-CZ3 4.11Å; S441-W445 PolarHBondContact O-N 3.14Å; M442-W445 WeakPolarHBondContact O-CB 3.4Å; M442-W445 PolarHBondContact O-N 3.18Å; M442-W445 VanDerWaalsContact O-N 3.08Å; Q443-W445 VanDerWaalsContact C-N 3.3Å; Q443-W445 PolarHBondContact O-N 3.23Å; W445-L456 HydrophobicContact CD2-CD1 4.15Å; W445-L456 HydrophobicContact CE3-CD1 3.28Å; W445-L456 HydrophobicContact CZ3-CD1 3.52Å
446	D	80.6	Confident	88.8	Confident	99 Å²	99	39.3 Å²	39.3	53%	0.529	21%	0.211	S	C	.	.	S	Bend	trans	-97	5.3	-175.1	-64.8	-25.7	0	0	0	113.1	R373 M442 Q443 P448	R373-D446 IonicContact CZ-OD1 3.78Å; R373-D446 IonicContact CZ-OD2 3.69Å; R373-D446 IonicContact NH1-OD1 3.49Å; R373-D446 PolarHBondContact NH1-OD1 3.07Å; R373-D446 IonicContact NH2-OD1 2.69Å; R373-D446 PolarHBondContact NH2-OD1 3.44Å; R373-D446 IonicContact NH2-OD2 3.5Å; R373-D446 PolarHBondContact NH2-OD2 3.21Å; M442-D446 PolarHBondContact O-N 3.31Å; Q443-D446 PolarHBondContact O-N 3.28Å; D446-P448 WeakPolarHBondContact O-CD 3.49Å
447	D	83.6	Confident	88.6	Confident	61 Å²	61	37 Å²	37	33%	0.326	20%	0.2	S	C	.	.			trans	-94.5	109.9	172.3	-170.4	-26.8	0	0	0	111.1	Q443 T449 V450	Q443-D447 PolarHBondContact O-N 3.32Å; D447-T449 PolarHBondContact O-N 3.49Å; D447-T449 VanDerWaalsContact O-N 3.13Å; D447-T449 WeakPolarHBondContact OD1-CA 3.5Å; D447-T449 WeakPolarHBondContact OD1-CB 3.38Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 PolarHBondContact OD1-OG1 2.86Å; D447-T449 PolarHBondContact OD2-OG1 2.71Å; D447-V450 HydrophobicContact CB-CB 4.42Å; D447-V450 HydrophobicContact CB-CG2 4.11Å; D447-V450 PolarHBondContact O-N 3.47Å
448	P	80.1	Confident	88.4	Confident	79 Å²	79	39.9 Å²	39.9	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-4.5	-179.1	31.5	-37.2	0	0	0	114.1	D446 A924	D446-P448 WeakPolarHBondContact O-CD 3.49Å; P448-A924 HydrophobicContact CB-CB 4.47Å; P448-A924 HydrophobicContact CG-CB 3.83Å
449	T	82.3	Confident	88.1	Confident	40 Å²	40	40.4 Å²	40.4	25%	0.245	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.8	177.1	71.5	0	0	0	0	113.7	D447 A924 Y927	D447-T449 PolarHBondContact O-N 3.49Å; D447-T449 VanDerWaalsContact O-N 3.13Å; D447-T449 WeakPolarHBondContact OD1-CA 3.5Å; D447-T449 WeakPolarHBondContact OD1-CB 3.38Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 PolarHBondContact OD1-OG1 2.86Å; D447-T449 PolarHBondContact OD2-OG1 2.71Å; T449-A924 HydrophobicContact CG2-CB 4.33Å; T449-Y927 HydrophobicContact CG2-CD1 4.12Å; T449-Y927 HydrophobicContact CG2-CD2 3.68Å; T449-Y927 HydrophobicContact CG2-CE1 4.04Å; T449-Y927 HydrophobicContact CG2-CE2 3.58Å; T449-Y927 HydrophobicContact CG2-CG 3.92Å
450	V	84.4	Confident	88	Confident	31 Å²	31	41 Å²	41	19%	0.188	22%	0.221	C	C	.	.	S	Bend	trans	-114.1	139.2	-175.7	178.8	0	0	0	0	111	F444 D447 G452 C455 A885	F444-V450 HydrophobicContact CB-CG1 4.4Å; D447-V450 HydrophobicContact CB-CB 4.42Å; D447-V450 HydrophobicContact CB-CG2 4.11Å; D447-V450 PolarHBondContact O-N 3.47Å; V450-G452 VanDerWaalsContact C-N 3.29Å; V450-G452 PolarHBondContact O-N 3.38Å; V450-C455 HydrophobicContact CG1-CB 4.32Å; V450-A885 HydrophobicContact CG1-CB 3.79Å; V450-A885 HydrophobicContact CG2-CB 4.29Å
451	D	85.2	Confident	88	Confident	77 Å²	77	40.9 Å²	40.9	41%	0.412	22%	0.219	S	C	.	.			trans	-76.4	83.7	166.8	-169.5	-37	0	0	0	109.6	F453 H454 C455	D451-F453 PolarHBondContact O-N 3.2Å; D451-F453 PolarHBondContact OD1-N 3.19Å; D451-H454 HydrophobicContact CB-CB 4.16Å; D451-H454 PolarHBondContact O-N 2.92Å; D451-H454 WeakPolarHBondContact OD1-CB 3.45Å; D451-H454 PolarHBondContact OD1-N 2.89Å; D451-C455 WeakPolarHBondContact O-CB 3.2Å; D451-C455 PolarHBondContact O-N 3.02Å; D451-C455 PolarHBondContact O-SG 3.21Å; D451-C455 VanDerWaalsContact O-SG 3.34Å
452	G	86.4	Confident	87.9	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-32.5	-179.2	0	0	0	0	0	113.6	V450 L456	V450-G452 VanDerWaalsContact C-N 3.29Å; V450-G452 PolarHBondContact O-N 3.38Å; G452-L456 WeakPolarHBondContact O-CB 3.32Å; G452-L456 WeakPolarHBondContact O-CD1 3.31Å; G452-L456 WeakPolarHBondContact O-CG 3.16Å; G452-L456 PolarHBondContact O-N 3.35Å
453	F	89.1	Confident	88	Confident	18 Å²	18	41.6 Å²	41.6	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-54.5	177.2	175	-93.1	0	0	0	111	L81 Q84 M85 L88 D451 C455 L456 L457 M458	L81-F453 HydrophobicContact CD2-CB 3.73Å; Q84-F453 HydrophobicContact CB-CD1 4.02Å; Q84-F453 HydrophobicContact CB-CD2 3.74Å; Q84-F453 HydrophobicContact CB-CE1 3.93Å; Q84-F453 HydrophobicContact CB-CE2 3.64Å; Q84-F453 HydrophobicContact CB-CG 3.94Å; Q84-F453 HydrophobicContact CB-CZ 3.74Å; Q84-F453 HydrophobicContact CG-CD1 4.37Å; Q84-F453 HydrophobicContact CG-CE1 4.5Å; Q84-F453 WeakPolarHBondContact O-CZ 3.35Å; M85-F453 HydrophobicContact CG-CD2 4.16Å; M85-F453 HydrophobicContact CG-CE2 3.98Å; L88-F453 HydrophobicContact CB-CE2 4.38Å; L88-F453 HydrophobicContact CB-CZ 4.07Å; L88-F453 HydrophobicContact CD2-CE2 4Å; L88-F453 HydrophobicContact CD2-CZ 4.04Å; D451-F453 PolarHBondContact O-N 3.2Å; D451-F453 PolarHBondContact OD1-N 3.19Å; F453-C455 PolarHBondContact O-N 2.82Å; F453-L456 PolarHBondContact O-N 3.11Å; F453-L457 HydrophobicContact CD2-CD1 3.9Å; F453-L457 HydrophobicContact CE2-CD1 3.89Å; F453-L457 PolarHBondContact O-N 2.99Å; F453-M458 HydrophobicContact CD1-CG 4.14Å; F453-M458 HydrophobicContact CE1-CG 3.65Å; F453-M458 HydrophobicContact CE1-SD 3.94Å; F453-M458 HydrophobicContact CZ-CG 4.3Å; F453-M458 HydrophobicContact CZ-SD 4.06Å
454	H	89.4	Confident	88.1	Confident	93 Å²	93	36.2 Å²	36.2	43%	0.431	20%	0.199	S	C	.	.	I	π-helix	trans	-63.1	-45.5	-179.3	-173.9	-85.7	0	0	0	111.3	D451 L456 M458 T459	D451-H454 HydrophobicContact CB-CB 4.16Å; D451-H454 PolarHBondContact O-N 2.92Å; D451-H454 WeakPolarHBondContact OD1-CB 3.45Å; D451-H454 PolarHBondContact OD1-N 2.89Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.11Å; H454-M458 CarbonylContact O-C 3.13Å; H454-M458 WeakPolarHBondContact O-CB 3.3Å; H454-M458 PolarHBondContact O-N 2.82Å; H454-M458 VanDerWaalsContact O-N 3.13Å; H454-T459 PolarHBondContact CE1-OG1 3.01Å; H454-T459 PolarHBondContact ND1-OG1 3.05Å; H454-T459 WeakPolarHBondContact O-CB 3.32Å; H454-T459 PolarHBondContact O-N 3.45Å; H454-T459 PolarHBondContact O-OG1 2.79Å
455	C	89.4	Confident	88.4	Confident	16 Å²	16	36.1 Å²	36.1	11%	0.108	20%	0.198	C	C	.	.	I	π-helix	trans	-60.1	-38.8	178.7	-77.5	0	0	0	0	113.1	V450 D451 F453 P886	V450-C455 HydrophobicContact CG1-CB 4.32Å; D451-C455 WeakPolarHBondContact O-CB 3.2Å; D451-C455 PolarHBondContact O-N 3.02Å; D451-C455 PolarHBondContact O-SG 3.21Å; D451-C455 VanDerWaalsContact O-SG 3.34Å; F453-C455 PolarHBondContact O-N 2.82Å; C455-P886 HydrophobicContact CB-CB 4.01Å; C455-P886 WeakPolarHBondContact O-CB 3.25Å; C455-P886 WeakPolarHBondContact O-CG 3.5Å
456	L	91.6	Very high	89	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.201	C	C	.	.	I	π-helix	trans	-98.4	-28.2	-169.5	-58.2	175.9	0	0	0	114.5	R335 S441 F444 W445 G452 F453 H454	R335-L456 PolarHBondContact NH1-O 3.36Å; R335-L456 VanDerWaalsContact NH2-CD2 3.31Å; S441-L456 WeakPolarHBondContact O-CD1 3.26Å; F444-L456 HydrophobicContact CB-CD2 4.42Å; F444-L456 HydrophobicContact CD2-CD2 4.12Å; W445-L456 HydrophobicContact CD2-CD1 4.15Å; W445-L456 HydrophobicContact CE3-CD1 3.28Å; W445-L456 HydrophobicContact CZ3-CD1 3.52Å; G452-L456 WeakPolarHBondContact O-CB 3.32Å; G452-L456 WeakPolarHBondContact O-CD1 3.31Å; G452-L456 WeakPolarHBondContact O-CG 3.16Å; G452-L456 PolarHBondContact O-N 3.35Å; F453-L456 PolarHBondContact O-N 3.11Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.11Å
457	L	92.6	Very high	89.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-118.6	-19.6	-173.7	-61.7	175.2	0	0	0	114.5	M85 L88 L327 V330 W331 Q334 L372 F453	M85-L457 HydrophobicContact CE-CD1 4.33Å; M85-L457 HydrophobicContact CG-CD1 4.43Å; L88-L457 HydrophobicContact CD2-CB 3.96Å; L88-L457 HydrophobicContact CD2-CD1 3.9Å; L88-L457 HydrophobicContact CD2-CG 4.44Å; L327-L457 HydrophobicContact CD2-CD1 4.3Å; V330-L457 HydrophobicContact CB-CD2 4.47Å; V330-L457 HydrophobicContact CG1-CB 4.31Å; V330-L457 HydrophobicContact CG1-CD2 4.14Å; V330-L457 WeakPolarHBondContact CG1-O 3.45Å; W331-L457 HydrophobicContact CB-CD2 3.96Å; Q334-L457 WeakPolarHBondContact CG-O 3.33Å; Q334-L457 PolarHBondContact NE2-O 3.05Å; L372-L457 HydrophobicContact CD2-CD2 4.37Å; F453-L457 HydrophobicContact CD2-CD1 3.9Å; F453-L457 HydrophobicContact CE2-CD1 3.89Å; F453-L457 PolarHBondContact O-N 2.99Å
458	M	91.7	Very high	90.2	Very high	69 Å²	69	28.9 Å²	28.9	34%	0.34	16%	0.163	S	C	.	.	I	π-helix	trans	-111.1	-7.2	-177.4	-51.8	-56.1	-73.1	0	0	114.5	L88 F453 H454 P460	L88-M458 HydrophobicContact CD1-SD 3.92Å; F453-M458 HydrophobicContact CD1-CG 4.14Å; F453-M458 HydrophobicContact CE1-CG 3.65Å; F453-M458 HydrophobicContact CE1-SD 3.94Å; F453-M458 HydrophobicContact CZ-CG 4.3Å; F453-M458 HydrophobicContact CZ-SD 4.06Å; H454-M458 CarbonylContact O-C 3.13Å; H454-M458 WeakPolarHBondContact O-CB 3.3Å; H454-M458 PolarHBondContact O-N 2.82Å; H454-M458 VanDerWaalsContact O-N 3.13Å; M458-P460 VanDerWaalsContact O-CD 3.31Å; M458-P460 WeakPolarHBondContact O-CD 3.42Å
459	T	91.9	Very high	90.7	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.067	14%	0.14	C	C	.	.			trans	-114.8	100	-167.4	-59.2	0	0	0	0	113.1	H454 K461 P886 R902	H454-T459 PolarHBondContact CE1-OG1 3.01Å; H454-T459 PolarHBondContact ND1-OG1 3.05Å; H454-T459 WeakPolarHBondContact O-CB 3.32Å; H454-T459 PolarHBondContact O-N 3.45Å; H454-T459 PolarHBondContact O-OG1 2.79Å; T459-K461 PolarHBondContact O-N 3.39Å; T459-P886 HydrophobicContact CG2-CG 3.64Å; T459-R902 VanDerWaalsContact CG2-CZ 3.5Å
460	P	92.4	Very high	91.3	Very high	57 Å²	57	23.5 Å²	23.5	37%	0.37	13%	0.128	S	C	.	.			trans	-61.3	131.2	179.5	-24.4	27	0	0	0	114.4	Q334 M458 P462 R465 R902	Q334-P460 CarbonylContact O-C 3.52Å; Q334-P460 VanDerWaalsContact OE1-CA 3.23Å; Q334-P460 VanDerWaalsContact OE1-N 3.09Å; M458-P460 VanDerWaalsContact O-CD 3.31Å; M458-P460 WeakPolarHBondContact O-CD 3.42Å; P460-P462 VanDerWaalsContact C-CD 3.41Å; P460-P462 WeakPolarHBondContact O-CD 3.5Å; P460-R465 PolarHBondContact O-NH2 3.19Å; P460-R902 VanDerWaalsContact O-CZ 3.27Å; P460-R902 PolarHBondContact O-NH1 3.19Å; P460-R902 PolarHBondContact O-NH2 3.08Å
461	K	92.4	Very high	91.8	Very high	8 Å²	8	22 Å²	22	4%	0.035	12%	0.12	C	C	.	.			trans	-115.2	65.1	-176.8	-69.8	-174.1	60	175.3	0	113.3	Q334 R335 E437 T459 T466 P886 F887	Q334-K461 WeakPolarHBondContact O-CB 3.44Å; Q334-K461 PolarHBondContact O-N 3.39Å; R335-K461 HydrophobicContact CG-CD 4.38Å; E437-K461 WeakPolarHBondContact OE1-CE 3.37Å; E437-K461 IonicContact OE1-NZ 3.49Å; E437-K461 PolarHBondContact OE1-NZ 2.9Å; E437-K461 IonicContact OE2-NZ 3.58Å; E437-K461 PolarHBondContact OE2-NZ 2.93Å; T459-K461 PolarHBondContact O-N 3.39Å; K461-T466 PolarHBondContact O-OG1 2.85Å; K461-P886 HydrophobicContact CD-CB 4.05Å; K461-P886 HydrophobicContact CD-CG 4Å; K461-P886 VanDerWaalsContact CE-O 3.25Å; K461-P886 WeakPolarHBondContact CE-O 3.47Å; K461-P886 HydrophobicContact CG-CG 4.05Å; K461-P886 PolarHBondContact NZ-O 2.79Å; K461-F887 HydrophobicContact CB-CE1 4.09Å; K461-F887 HydrophobicContact CD-CE1 4.45Å; K461-F887 HydrophobicContact CG-CD1 4.44Å; K461-F887 HydrophobicContact CG-CE1 3.84Å; K461-F887 HydrophobicContact CG-CZ 4.13Å
462	P	92.7	Very high	92.2	Very high	17 Å²	17	18.5 Å²	18.5	11%	0.11	10%	0.101	C	C	.	.			trans	-63	150.8	-179.8	29.5	-37	0	0	0	112.2	E336 P460 I464 R465 T466	E336-P462 VanDerWaalsContact CD-CA 3.45Å; E336-P462 WeakPolarHBondContact OE1-CB 3.35Å; E336-P462 VanDerWaalsContact OE2-CA 3.25Å; E336-P462 WeakPolarHBondContact OE2-CA 3.4Å; P460-P462 VanDerWaalsContact C-CD 3.41Å; P460-P462 WeakPolarHBondContact O-CD 3.5Å; P462-I464 PolarHBondContact O-N 2.87Å; P462-R465 HydrophobicContact CG-CB 4.36Å; P462-R465 HydrophobicContact CG-CG 4.15Å; P462-R465 VanDerWaalsContact CG-CZ 3.42Å; P462-R465 PolarHBondContact O-N 3.34Å; P462-T466 PolarHBondContact O-N 3.29Å; P462-T466 VanDerWaalsContact O-N 3.1Å; P462-T466 PolarHBondContact O-OG1 3.3Å
463	M	92.9	Very high	92.6	Very high	22 Å²	22	18.3 Å²	18.3	11%	0.108	10%	0.097	C	C	.	.	H	α-helix	trans	-45	-44.4	-176.1	172.8	172.6	-75.2	0	0	113.6	E336 R465 T466 S467 V470 H524	E336-M463 PolarHBondContact OE2-N 3.43Å; E336-M463 VanDerWaalsContact OE2-N 3.13Å; M463-R465 VanDerWaalsContact C-N 3.26Å; M463-R465 PolarHBondContact O-N 3Å; M463-T466 PolarHBondContact O-N 3.22Å; M463-T466 VanDerWaalsContact O-N 3.14Å; M463-S467 PolarHBondContact O-N 3.19Å; M463-V470 HydrophobicContact CG-CG2 4.03Å; M463-V470 HydrophobicContact SD-CG1 4.32Å; M463-H524 VanDerWaalsContact CE-C 3.44Å
464	I	92.8	Very high	92.5	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.036	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-19.5	-175.8	-161.8	59.1	0	0	0	114.4	P462 V470 V634 L898 E982 L985 M986	P462-I464 PolarHBondContact O-N 2.87Å; I464-V470 HydrophobicContact CD1-CB 4.08Å; I464-V470 HydrophobicContact CD1-CG2 3.86Å; I464-V634 HydrophobicContact CD1-CG1 4.01Å; I464-L898 HydrophobicContact CG1-CD1 3.88Å; I464-L898 WeakPolarHBondContact O-CD1 3.36Å; I464-E982 HydrophobicContact CG2-CB 4.32Å; I464-E982 HydrophobicContact CG2-CG 3.9Å; I464-L985 HydrophobicContact CD1-CB 4.31Å; I464-L985 HydrophobicContact CD1-CD1 4.33Å; I464-L985 HydrophobicContact CG1-CB 4.33Å; I464-L985 HydrophobicContact CG1-CD1 4.14Å; I464-M986 HydrophobicContact CB-CG 4.23Å; I464-M986 HydrophobicContact CB-SD 3.97Å; I464-M986 HydrophobicContact CD1-SD 3.99Å; I464-M986 HydrophobicContact CG1-CG 4.41Å; I464-M986 HydrophobicContact CG1-SD 4.18Å
465	R	93.3	Very high	92.4	Very high	20 Å²	20	18.3 Å²	18.3	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-96.1	-26.4	170.7	-64	-162.7	-70.9	-106.7	4.7	112.8	P460 P462 M463 F887 L898 R899 E982	P460-R465 PolarHBondContact O-NH2 3.19Å; P462-R465 HydrophobicContact CG-CB 4.36Å; P462-R465 HydrophobicContact CG-CG 4.15Å; P462-R465 VanDerWaalsContact CG-CZ 3.42Å; P462-R465 PolarHBondContact O-N 3.34Å; M463-R465 VanDerWaalsContact C-N 3.26Å; M463-R465 PolarHBondContact O-N 3Å; R465-F887 HydrophobicContact CB-CE1 3.82Å; R465-F887 HydrophobicContact CB-CZ 3.89Å; R465-L898 HydrophobicContact CG-CB 4.33Å; R465-R899 VanDerWaalsContact O-CZ 3.25Å; R465-R899 PolarHBondContact O-NE 2.68Å; R465-R899 PolarHBondContact O-NH2 2.93Å; R465-E982 WeakPolarHBondContact CD-OE1 3.24Å; R465-E982 WeakPolarHBondContact CG-OE1 3.27Å; R465-E982 IonicContact CZ-OE1 2.71Å; R465-E982 IonicContact CZ-OE2 3.44Å; R465-E982 IonicContact NE-OE1 2.74Å; R465-E982 IonicContact NH1-OE1 3.71Å; R465-E982 PolarHBondContact NH1-OE1 2.91Å; R465-E982 IonicContact NH1-OE2 3.66Å; R465-E982 PolarHBondContact NH1-OE2 3.31Å
466	T	93.6	Very high	92.4	Very high	24 Å²	24	18 Å²	18	15%	0.147	10%	0.102	C	C	.	.	H	α-helix	trans	-84.2	-42.3	-174.8	-57.4	0	0	0	0	112.4	K461 P462 M463 R899	K461-T466 PolarHBondContact O-OG1 2.85Å; P462-T466 PolarHBondContact O-N 3.29Å; P462-T466 VanDerWaalsContact O-N 3.1Å; P462-T466 PolarHBondContact O-OG1 3.3Å; M463-T466 PolarHBondContact O-N 3.22Å; M463-T466 VanDerWaalsContact O-N 3.14Å; T466-R899 PolarHBondContact O-NH2 3.13Å
467	S	94.6	Very high	92.3	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.042	12%	0.118	C	C	.	.			trans	-88.9	148.5	176.1	-61.9	0	0	0	0	112.1	M463 G550	M463-S467 PolarHBondContact O-N 3.19Å; S467-G550 VanDerWaalsContact OG-CA 3.32Å; S467-G550 WeakPolarHBondContact OG-CA 3.08Å
468	D	94.3	Very high	92.1	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.132	C	C	.	.	S	Bend	trans	-79.6	-38	178.8	-55	-54.9	0	0	0	111.6	L551 L553 G891 S892	D468-L551 PolarHBondContact N-O 2.9Å; D468-L553 HydrophobicContact CB-CB 4.44Å; D468-L553 HydrophobicContact CB-CD1 4.11Å; D468-L553 HydrophobicContact CB-CG 4.01Å; D468-L553 PolarHBondContact OD2-N 3.48Å; D468-G891 VanDerWaalsContact CG-CA 3.49Å; D468-G891 WeakPolarHBondContact OD1-CA 3.42Å; D468-G891 PolarHBondContact OD1-N 3.36Å; D468-S892 WeakPolarHBondContact O-CB 3.44Å; D468-S892 PolarHBondContact O-OG 2.92Å
469	C	92.6	Very high	92.1	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.034	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.5	173.8	-74.7	0	0	0	0	109.9	L551 F633	C469-L551 HydrophobicContact CB-CB 4.28Å; C469-L551 HydrophobicContact CB-CD1 4.48Å; C469-L551 PolarHBondContact N-O 3.3Å; C469-L551 PolarHBondContact O-N 2.89Å; C469-F633 HydrophobicContact CB-CE2 4.27Å; C469-F633 HydrophobicContact CB-CZ 4.01Å
470	V	94.7	Very high	92.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.7	172.4	178.2	0	0	0	0	109	M463 I464 F549 V634 M986	M463-V470 HydrophobicContact CG-CG2 4.03Å; M463-V470 HydrophobicContact SD-CG1 4.32Å; I464-V470 HydrophobicContact CD1-CB 4.08Å; I464-V470 HydrophobicContact CD1-CG2 3.86Å; V470-F549 VanDerWaalsContact CA-O 3.3Å; V470-F549 WeakPolarHBondContact CA-O 3.34Å; V470-V634 HydrophobicContact CB-CB 4.33Å; V470-V634 HydrophobicContact CB-CG2 4.44Å; V470-V634 HydrophobicContact CG1-CG2 4.34Å; V470-V634 VanDerWaalsContact O-CB 3.29Å; V470-V634 WeakPolarHBondContact O-CB 3.32Å; V470-V634 PolarHBondContact O-N 3.25Å; V470-M986 HydrophobicContact CG1-SD 4.33Å
471	F	94.5	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.5	167.2	71.3	-92.1	0	0	0	111.3	L473 L511 S548 F549 L551 V616 L620 V631 R632 F633	F471-L473 HydrophobicContact CE2-CD2 4.4Å; F471-L511 HydrophobicContact CZ-CD1 3.88Å; F471-L511 HydrophobicContact CZ-CD2 4.45Å; F471-S548 CarbonylContact O-C 3.57Å; F471-S548 WeakPolarHBondContact O-CA 3.3Å; F471-F549 HydrophobicContact CD1-CB 4Å; F471-F549 HydrophobicContact CD2-CB 4.28Å; F471-F549 HydrophobicContact CD2-CD2 4.11Å; F471-F549 HydrophobicContact CE1-CB 3.52Å; F471-F549 HydrophobicContact CE1-CG 4.24Å; F471-F549 HydrophobicContact CE2-CB 3.83Å; F471-F549 AromaticContact CE2-CD2 3.48Å; F471-F549 HydrophobicContact CE2-CD2 3.48Å; F471-F549 VanDerWaalsContact CE2-CD2 3.48Å; F471-F549 HydrophobicContact CE2-CE2 4.21Å; F471-F549 AromaticContact CE2-CG 3.8Å; F471-F549 HydrophobicContact CE2-CG 3.8Å; F471-F549 HydrophobicContact CG-CB 4.36Å; F471-F549 HydrophobicContact CZ-CB 3.43Å; F471-F549 VanDerWaalsContact CZ-CB 3.43Å; F471-F549 HydrophobicContact CZ-CD1 4.34Å; F471-F549 AromaticContact CZ-CD2 3.82Å; F471-F549 HydrophobicContact CZ-CD2 3.82Å; F471-F549 AromaticContact CZ-CG 3.62Å; F471-F549 HydrophobicContact CZ-CG 3.62Å; F471-F549 PolarHBondContact N-O 3.09Å; F471-F549 PolarHBondContact O-N 3.4Å; F471-L551 HydrophobicContact CE1-CD2 4.42Å; F471-V616 HydrophobicContact CD1-CG1 4.21Å; F471-V616 HydrophobicContact CD1-CG2 4.34Å; F471-V616 HydrophobicContact CD2-CG1 4.03Å; F471-V616 HydrophobicContact CE1-CG1 3.85Å; F471-V616 HydrophobicContact CE1-CG2 3.8Å; F471-V616 HydrophobicContact CE2-CG1 3.66Å; F471-V616 HydrophobicContact CG-CG1 4.29Å; F471-V616 HydrophobicContact CZ-CG1 3.56Å; F471-V616 HydrophobicContact CZ-CG2 4.17Å; F471-L620 HydrophobicContact CE2-CD1 4.33Å; F471-V631 HydrophobicContact CB-CG1 4.47Å; F471-V631 HydrophobicContact CD2-CG1 4Å; F471-R632 CarbonylContact C-O 3.55Å; F471-R632 WeakPolarHBondContact CA-O 3.44Å; F471-F633 HydrophobicContact CB-CD2 4.01Å
472	Q	94.1	Very high	91.9	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.5	-173.6	-46.9	-177	-69	0	0	111.7	P546 L547 S548 R632 V634 M986	Q472-P546 HydrophobicContact CB-CB 4.04Å; Q472-L547 WeakPolarHBondContact CA-O 3.33Å; Q472-S548 PolarHBondContact NE2-OG 3.39Å; Q472-S548 VanDerWaalsContact NE2-OG 3.09Å; Q472-R632 HydrophobicContact CB-CB 4.34Å; Q472-R632 PolarHBondContact N-O 3.1Å; Q472-R632 PolarHBondContact O-N 3.29Å; Q472-V634 HydrophobicContact CG-CG2 4.31Å; Q472-M986 PolarHBondContact NE2-O 2.92Å
473	L	93.1	Very high	91.9	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	106	171.2	-57.7	-174.6	0	0	0	109.7	F471 L476 L507 P546 L547 F549 L620 I626 C630 V631	F471-L473 HydrophobicContact CE2-CD2 4.4Å; L473-L476 HydrophobicContact CB-CD2 4.15Å; L473-L476 WeakPolarHBondContact O-CD2 3.41Å; L473-L507 HydrophobicContact CD1-CD1 3.95Å; L473-P546 WeakPolarHBondContact O-CA 3.42Å; L473-L547 HydrophobicContact CB-CB 4.45Å; L473-L547 PolarHBondContact N-O 3.17Å; L473-L547 PolarHBondContact O-N 3.01Å; L473-F549 HydrophobicContact CD1-CE2 3.7Å; L473-F549 HydrophobicContact CD1-CZ 4.31Å; L473-F549 HydrophobicContact CG-CD2 4.43Å; L473-F549 HydrophobicContact CG-CE2 3.88Å; L473-L620 HydrophobicContact CD2-CD1 3.98Å; L473-I626 HydrophobicContact CD1-CD1 4.42Å; L473-C630 WeakPolarHBondContact CA-O 3.22Å; L473-V631 HydrophobicContact CD2-CG2 3.88Å
474	C	88.6	Confident	91.8	Very high	51 Å²	51	32.5 Å²	32.5	35%	0.345	17%	0.169	S	C	.	.			trans	-91.1	-34.9	-168.2	-58.8	0	0	0	0	113.8	L476 C630	C474-L476 PolarHBondContact O-N 3.02Å; C474-C630 PolarHBondContact N-O 3.42Å
475	D	85.9	Confident	91.8	Very high	60 Å²	60	36.9 Å²	36.9	32%	0.321	19%	0.187	S	C	.	.			trans	-100	78.4	176.6	-176	1.5	0	0	0	111.2	V477 K478	D475-V477 PolarHBondContact O-N 3.19Å; D475-V477 VanDerWaalsContact O-N 3.15Å; D475-V477 WeakPolarHBondContact OD1-CB 3.29Å; D475-V477 PolarHBondContact OD1-N 3.31Å; D475-K478 HydrophobicContact CB-CD 4.3Å; D475-K478 PolarHBondContact O-N 2.96Å; D475-K478 WeakPolarHBondContact OD2-CD 3.24Å; D475-K478 WeakPolarHBondContact OD2-CE 3.49Å; D475-K478 IonicContact OD2-NZ 3.91Å; D475-K478 PolarHBondContact OD2-NZ 2.86Å
476	L	89.3	Confident	91.8	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64.3	-16.1	-178.3	-60	179.3	0	0	0	113.4	L473 C474 K478 L479 Y499 I500 Q544 L547	L473-L476 HydrophobicContact CB-CD2 4.15Å; L473-L476 WeakPolarHBondContact O-CD2 3.41Å; C474-L476 PolarHBondContact O-N 3.02Å; L476-K478 PolarHBondContact O-N 3.07Å; L476-L479 HydrophobicContact CB-CD1 4.5Å; L476-L479 HydrophobicContact CD2-CD1 3.97Å; L476-L479 WeakPolarHBondContact O-CB 3.31Å; L476-L479 WeakPolarHBondContact O-CG 3.33Å; L476-L479 PolarHBondContact O-N 2.89Å; L476-Y499 WeakPolarHBondContact O-CE2 3.23Å; L476-I500 HydrophobicContact CB-CD1 4.42Å; L476-I500 HydrophobicContact CD1-CD1 3.98Å; L476-Q544 HydrophobicContact CD1-CB 4.41Å; L476-L547 HydrophobicContact CD2-CB 3.93Å
477	V	89.8	Confident	91.7	Very high	58 Å²	58	44.1 Å²	44.1	35%	0.352	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.1	-36.3	178.4	-175.8	0	0	0	0	111	D475 L479 Q480 K542	D475-V477 PolarHBondContact O-N 3.19Å; D475-V477 VanDerWaalsContact O-N 3.15Å; D475-V477 WeakPolarHBondContact OD1-CB 3.29Å; D475-V477 PolarHBondContact OD1-N 3.31Å; V477-L479 PolarHBondContact O-N 3.07Å; V477-Q480 WeakPolarHBondContact O-CB 3.35Å; V477-Q480 WeakPolarHBondContact O-CG 3.46Å; V477-Q480 PolarHBondContact O-N 3.25Å; V477-Q480 VanDerWaalsContact O-N 3.13Å; V477-K542 HydrophobicContact CG2-CB 3.54Å; V477-K542 HydrophobicContact CG2-CD 3.92Å; V477-K542 HydrophobicContact CG2-CG 4.39Å
478	K	88.6	Confident	91.6	Very high	68 Å²	68	44.9 Å²	44.9	30%	0.296	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.5	-19.1	-177.9	-74.7	165.1	175.9	138.3	0	113.9	D475 L476 Q480 V481 P627 C630	D475-K478 HydrophobicContact CB-CD 4.3Å; D475-K478 PolarHBondContact O-N 2.96Å; D475-K478 WeakPolarHBondContact OD2-CD 3.24Å; D475-K478 WeakPolarHBondContact OD2-CE 3.49Å; D475-K478 IonicContact OD2-NZ 3.91Å; D475-K478 PolarHBondContact OD2-NZ 2.86Å; L476-K478 PolarHBondContact O-N 3.07Å; K478-Q480 PolarHBondContact O-N 2.91Å; K478-Q480 VanDerWaalsContact O-N 3.14Å; K478-V481 VanDerWaalsContact O-CB 3.28Å; K478-V481 WeakPolarHBondContact O-CB 3.42Å; K478-V481 PolarHBondContact O-N 3.3Å; K478-P627 HydrophobicContact CD-CG 4.46Å; K478-C630 WeakPolarHBondContact CD-SG 3.23Å; K478-C630 PolarHBondContact NZ-SG 3.02Å
479	L	91.8	Very high	91.5	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-22.6	173.5	-58.7	-177.7	0	0	0	112.6	L476 V477 V481 T482 C483 Y499 I500 V503 L507 I626	L476-L479 HydrophobicContact CB-CD1 4.5Å; L476-L479 HydrophobicContact CD2-CD1 3.97Å; L476-L479 WeakPolarHBondContact O-CB 3.31Å; L476-L479 WeakPolarHBondContact O-CG 3.33Å; L476-L479 PolarHBondContact O-N 2.89Å; V477-L479 PolarHBondContact O-N 3.07Å; L479-V481 PolarHBondContact O-N 2.93Å; L479-T482 WeakPolarHBondContact O-CA 3.45Å; L479-T482 VanDerWaalsContact O-CB 3.28Å; L479-T482 WeakPolarHBondContact O-CB 3.35Å; L479-T482 PolarHBondContact O-N 2.86Å; L479-T482 VanDerWaalsContact O-N 3.07Å; L479-C483 PolarHBondContact O-N 2.8Å; L479-C483 PolarHBondContact O-SG 2.68Å; L479-Y499 HydrophobicContact CB-CD2 3.89Å; L479-Y499 HydrophobicContact CB-CE2 4.35Å; L479-I500 HydrophobicContact CD1-CG1 4.27Å; L479-I500 HydrophobicContact CD1-CG2 4.48Å; L479-V503 HydrophobicContact CD2-CG1 4.08Å; L479-L507 HydrophobicContact CD2-CD1 4.25Å; L479-I626 HydrophobicContact CD2-CD1 3.48Å; L479-I626 VanDerWaalsContact CD2-CD1 3.48Å; L479-I626 HydrophobicContact CD2-CG1 4.25Å
480	Q	91.3	Very high	91.4	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-27	170.2	-64.7	-174.2	-4.9	0	0	113.5	V477 K478 K484 Y499	V477-Q480 WeakPolarHBondContact O-CB 3.35Å; V477-Q480 WeakPolarHBondContact O-CG 3.46Å; V477-Q480 PolarHBondContact O-N 3.25Å; V477-Q480 VanDerWaalsContact O-N 3.13Å; K478-Q480 PolarHBondContact O-N 2.91Å; K478-Q480 VanDerWaalsContact O-N 3.14Å; Q480-K484 PolarHBondContact O-N 3.47Å; Q480-Y499 HydrophobicContact CG-CD1 3.62Å; Q480-Y499 HydrophobicContact CG-CD2 3.99Å; Q480-Y499 HydrophobicContact CG-CE1 3.89Å; Q480-Y499 HydrophobicContact CG-CE2 4.27Å; Q480-Y499 HydrophobicContact CG-CG 3.66Å
481	V	90	Very high	91.3	Very high	83 Å²	83	54.5 Å²	54.5	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-73.3	-39.3	172.3	-174.3	0	0	0	0	109.6	K478 L479 K484 K485	K478-V481 VanDerWaalsContact O-CB 3.28Å; K478-V481 WeakPolarHBondContact O-CB 3.42Å; K478-V481 PolarHBondContact O-N 3.3Å; L479-V481 PolarHBondContact O-N 2.93Å; V481-K484 PolarHBondContact O-N 3.44Å; V481-K485 WeakPolarHBondContact O-CB 3.26Å; V481-K485 PolarHBondContact O-N 3.06Å
482	T	92.1	Very high	91.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-46.3	174.1	-46.9	0	0	0	0	111.8	L479 K484 K485 Q486 V503 F506 A624	L479-T482 WeakPolarHBondContact O-CA 3.45Å; L479-T482 VanDerWaalsContact O-CB 3.28Å; L479-T482 WeakPolarHBondContact O-CB 3.35Å; L479-T482 PolarHBondContact O-N 2.86Å; L479-T482 VanDerWaalsContact O-N 3.07Å; T482-K484 VanDerWaalsContact C-N 3.28Å; T482-K484 PolarHBondContact O-N 2.91Å; T482-K485 PolarHBondContact O-N 2.91Å; T482-Q486 HydrophobicContact CG2-CG 4.29Å; T482-Q486 WeakPolarHBondContact O-CB 3.28Å; T482-Q486 PolarHBondContact O-N 2.85Å; T482-V503 HydrophobicContact CG2-CG1 3.61Å; T482-V503 HydrophobicContact CG2-CG2 4.16Å; T482-F506 HydrophobicContact CG2-CD1 4.1Å; T482-F506 HydrophobicContact CG2-CE1 4Å; T482-A624 WeakPolarHBondContact CB-O 3.49Å; T482-A624 HydrophobicContact CG2-CB 3.82Å; T482-A624 PolarHBondContact OG1-O 2.83Å
483	C	92.5	Very high	91	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.088	29%	0.286	C	S	.	.	H	α-helix	trans	-52.5	-45.7	174.4	-62.9	0	0	0	0	112.4	L479 N487 L488 V503	L479-C483 PolarHBondContact O-N 2.8Å; L479-C483 PolarHBondContact O-SG 2.68Å; C483-N487 PolarHBondContact O-N 2.8Å; C483-N487 VanDerWaalsContact O-N 3.16Å; C483-L488 PolarHBondContact O-N 2.69Å; C483-V503 WeakPolarHBondContact SG-CG2 3.28Å
484	K	91.1	Very high	91	Very high	171 Å²	171	55.6 Å²	55.6	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-69.7	-42.6	179.8	-68.2	178.2	-179.9	-176.7	0	112.2	Q480 V481 T482 Q486 N487	Q480-K484 PolarHBondContact O-N 3.47Å; V481-K484 PolarHBondContact O-N 3.44Å; T482-K484 VanDerWaalsContact C-N 3.28Å; T482-K484 PolarHBondContact O-N 2.91Å; K484-Q486 VanDerWaalsContact C-N 3.31Å; K484-Q486 PolarHBondContact O-N 3.34Å; K484-N487 PolarHBondContact O-N 2.8Å
485	K	91.9	Very high	91.1	Very high	98 Å²	98	54.9 Å²	54.9	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-33	-178.7	-177.4	174.2	174.2	-174.7	0	112.7	V481 T482 L622 H623	V481-K485 WeakPolarHBondContact O-CB 3.26Å; V481-K485 PolarHBondContact O-N 3.06Å; T482-K485 PolarHBondContact O-N 2.91Å; K485-L622 PolarHBondContact NZ-O 2.84Å; K485-H623 WeakPolarHBondContact CD-O 3.39Å; K485-H623 WeakPolarHBondContact CE-O 3.36Å; K485-H623 PolarHBondContact NZ-O 3.16Å; K485-H623 VanDerWaalsContact NZ-O 3.14Å
486	Q	93	Very high	91.1	Very high	61 Å²	61	52.7 Å²	52.7	29%	0.285	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	10.6	179.6	-60.1	-61.6	-22.5	0	0	113	T482 K484 L488 F506 H623	T482-Q486 HydrophobicContact CG2-CG 4.29Å; T482-Q486 WeakPolarHBondContact O-CB 3.28Å; T482-Q486 PolarHBondContact O-N 2.85Å; K484-Q486 VanDerWaalsContact C-N 3.31Å; K484-Q486 PolarHBondContact O-N 3.34Å; Q486-L488 HydrophobicContact CB-CD1 3.94Å; Q486-L488 HydrophobicContact CB-CD2 4.4Å; Q486-L488 HydrophobicContact CB-CG 3.79Å; Q486-L488 PolarHBondContact O-N 3.03Å; Q486-L488 VanDerWaalsContact O-N 3.15Å; Q486-F506 VanDerWaalsContact CD-CZ 3.42Å; Q486-F506 HydrophobicContact CG-CD1 4.34Å; Q486-F506 HydrophobicContact CG-CD2 4.35Å; Q486-F506 HydrophobicContact CG-CE1 3.89Å; Q486-F506 HydrophobicContact CG-CE2 3.9Å; Q486-F506 HydrophobicContact CG-CZ 3.66Å; Q486-F506 VanDerWaalsContact NE2-CZ 3.35Å; Q486-H623 PolarHBondContact NE2-O 2.96Å
487	N	92.8	Very high	91	Very high	136 Å²	136	53.1 Å²	53.1	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	24.8	179.2	-60	-50.2	0	0	0	116.2	C483 K484 L489	C483-N487 PolarHBondContact O-N 2.8Å; C483-N487 VanDerWaalsContact O-N 3.16Å; K484-N487 PolarHBondContact O-N 2.8Å; N487-L489 PolarHBondContact O-N 2.93Å
488	L	92.6	Very high	90.9	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.11	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	47.3	-172.9	-57	172.9	0	0	0	113.6	C483 Q486 E491 S492 T502 V503	C483-L488 PolarHBondContact O-N 2.69Å; Q486-L488 HydrophobicContact CB-CD1 3.94Å; Q486-L488 HydrophobicContact CB-CD2 4.4Å; Q486-L488 HydrophobicContact CB-CG 3.79Å; Q486-L488 PolarHBondContact O-N 3.03Å; Q486-L488 VanDerWaalsContact O-N 3.15Å; L488-E491 WeakPolarHBondContact CA-OE2 3.46Å; L488-E491 HydrophobicContact CB-CB 4.47Å; L488-S492 WeakPolarHBondContact O-CB 3.25Å; L488-S492 PolarHBondContact O-N 3.1Å; L488-T502 HydrophobicContact CB-CG2 3.73Å; L488-T502 HydrophobicContact CD1-CG2 4.24Å; L488-V503 HydrophobicContact CD1-CG2 4.23Å
489	L	90.7	Very high	91	Very high	89 Å²	89	48.6 Å²	48.6	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-74.8	-40.2	-178.3	179.5	59.6	0	0	0	111.8	Y276 T277 N487 S492 M493	Y276-L489 HydrophobicContact CE1-CD1 4.35Å; T277-L489 HydrophobicContact CG2-CD1 4.39Å; T277-L489 HydrophobicContact CG2-CD2 4.24Å; N487-L489 PolarHBondContact O-N 2.93Å; L489-S492 PolarHBondContact O-N 3.23Å; L489-M493 HydrophobicContact CG-SD 4.4Å; L489-M493 WeakPolarHBondContact O-CG 3.33Å; L489-M493 PolarHBondContact O-N 3.2Å
490	S	91	Very high	91	Very high	43 Å²	43	48.8 Å²	48.8	30%	0.301	25%	0.252	S	S	.	.	H	α-helix	trans	-57.8	-49.3	175.3	16.5	0	0	0	0	112	S492 M493 D494	S490-S492 VanDerWaalsContact C-N 3.33Å; S490-M493 WeakPolarHBondContact O-CB 3.4Å; S490-M493 PolarHBondContact O-N 3.03Å; S490-D494 PolarHBondContact O-N 3.43Å
491	E	92.6	Very high	90.9	Very high	79 Å²	79	46.1 Å²	46.1	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-72.8	-29.5	-180	-58.3	88.2	157.5	0	0	110.7	L488 H495 T502	L488-E491 WeakPolarHBondContact CA-OE2 3.46Å; L488-E491 HydrophobicContact CB-CB 4.47Å; E491-H495 WeakPolarHBondContact O-CB 3.03Å; E491-H495 PolarHBondContact O-CD2 3.22Å; E491-H495 PolarHBondContact O-N 2.94Å; E491-H495 VanDerWaalsContact O-N 3.14Å; E491-T502 HydrophobicContact CB-CG2 3.83Å; E491-T502 PolarHBondContact O-OG1 2.71Å
492	S	91.2	Very high	91	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-37.8	169.2	-170.9	0	0	0	0	112.4	Y276 L488 L489 S490 S496 G497 T502	Y276-S492 PolarHBondContact OH-O 3.36Å; Y276-S492 VanDerWaalsContact OH-O 3.11Å; Y276-S492 PolarHBondContact OH-OG 3.11Å; L488-S492 WeakPolarHBondContact O-CB 3.25Å; L488-S492 PolarHBondContact O-N 3.1Å; L489-S492 PolarHBondContact O-N 3.23Å; S490-S492 VanDerWaalsContact C-N 3.33Å; S492-S496 PolarHBondContact O-N 2.87Å; S492-G497 PolarHBondContact O-N 2.86Å; S492-T502 WeakPolarHBondContact CA-OG1 3.46Å
493	M	91.2	Very high	91.1	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-50.6	174	-80.4	167.8	54.1	0	0	111	I271 T273 Y276 P289 L489 S490 S496	I271-M493 WeakPolarHBondContact CD1-O 3.38Å; I271-M493 HydrophobicContact CG2-CE 4.48Å; I271-M493 WeakPolarHBondContact O-CE 3.34Å; T273-M493 HydrophobicContact CG2-CE 4.34Å; T273-M493 HydrophobicContact CG2-SD 4.1Å; Y276-M493 HydrophobicContact CD1-CB 4.38Å; Y276-M493 HydrophobicContact CD1-CG 3.24Å; Y276-M493 HydrophobicContact CD1-SD 4.25Å; Y276-M493 HydrophobicContact CD2-CG 4.22Å; Y276-M493 HydrophobicContact CE1-CB 4.43Å; Y276-M493 HydrophobicContact CE1-CG 3.56Å; Y276-M493 HydrophobicContact CE2-CG 4.49Å; Y276-M493 HydrophobicContact CG-CB 4.49Å; Y276-M493 HydrophobicContact CG-CG 3.59Å; P289-M493 HydrophobicContact CG-CE 4.19Å; L489-M493 HydrophobicContact CG-SD 4.4Å; L489-M493 WeakPolarHBondContact O-CG 3.33Å; L489-M493 PolarHBondContact O-N 3.2Å; S490-M493 WeakPolarHBondContact O-CB 3.4Å; S490-M493 PolarHBondContact O-N 3.03Å; M493-S496 VanDerWaalsContact O-CA 3.31Å; M493-S496 WeakPolarHBondContact O-CA 3.36Å; M493-S496 PolarHBondContact O-N 3.25Å
494	D	92.4	Very high	91.2	Very high	9 Å²	9	42 Å²	42	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-52	-177.4	-169.1	29.5	0	0	0	112	T291 P292 H293 Y294 S490 S496	T291-D494 VanDerWaalsContact C-CG 3.44Å; T291-D494 VanDerWaalsContact CA-CG 3.5Å; T291-D494 WeakPolarHBondContact CA-OD1 3.24Å; T291-D494 VanDerWaalsContact CB-OD1 3.31Å; T291-D494 WeakPolarHBondContact CB-OD1 3.38Å; P292-D494 WeakPolarHBondContact CD-OD2 3.39Å; P292-D494 WeakPolarHBondContact CG-OD2 3.44Å; H293-D494 WeakPolarHBondContact CB-OD2 3.42Å; H293-D494 IonicContact CD2-OD2 2.73Å; H293-D494 PolarHBondContact CD2-OD2 2.99Å; H293-D494 VanDerWaalsContact CD2-OD2 3.29Å; H293-D494 IonicContact CG-OD2 2.61Å; H293-D494 PolarHBondContact N-OD1 2.88Å; H293-D494 PolarHBondContact N-OD2 3.18Å; Y294-D494 VanDerWaalsContact CB-OD1 3.26Å; Y294-D494 WeakPolarHBondContact CB-OD1 3.32Å; Y294-D494 PolarHBondContact N-OD1 3.08Å; S490-D494 PolarHBondContact O-N 3.43Å; D494-S496 PolarHBondContact O-N 2.99Å; D494-S496 PolarHBondContact O-OG 2.85Å
495	H	90.5	Very high	91.4	Very high	36 Å²	36	36 Å²	36	17%	0.167	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	9.4	170.1	-62.9	-60	0	0	0	114	H293 E491 G497 N498	H293-H495 AromaticContact CD2-CE1 3.62Å; H293-H495 AromaticContact CE1-CE1 3.59Å; H293-H495 AromaticContact CG-CE1 3.57Å; H293-H495 AromaticContact CG-ND1 3.88Å; H293-H495 AromaticContact ND1-CE1 3.55Å; H293-H495 AromaticContact NE2-CE1 3.64Å; E491-H495 WeakPolarHBondContact O-CB 3.03Å; E491-H495 PolarHBondContact O-CD2 3.22Å; E491-H495 PolarHBondContact O-N 2.94Å; E491-H495 VanDerWaalsContact O-N 3.14Å; H495-G497 VanDerWaalsContact C-N 3.31Å; H495-G497 PolarHBondContact O-N 3.26Å; H495-N498 HydrophobicContact CB-CB 4.18Å; H495-N498 VanDerWaalsContact O-CB 3.26Å; H495-N498 WeakPolarHBondContact O-CB 3.44Å; H495-N498 PolarHBondContact O-N 3.13Å
496	S	86.6	Confident	91.5	Very high	13 Å²	13	33.7 Å²	33.7	9%	0.091	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	41.9	169.1	-71.6	0	0	0	0	114.3	Q194 S492 M493 D494	Q194-S496 PolarHBondContact NE2-OG 3.49Å; S492-S496 PolarHBondContact O-N 2.87Å; M493-S496 VanDerWaalsContact O-CA 3.31Å; M493-S496 WeakPolarHBondContact O-CA 3.36Å; M493-S496 PolarHBondContact O-N 3.25Å; D494-S496 PolarHBondContact O-N 2.99Å; D494-S496 PolarHBondContact O-OG 2.85Å
497	G	86.6	Confident	91.7	Very high	19 Å²	19	30.8 Å²	30.8	20%	0.196	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	1.7	179.5	0	0	0	0	0	115.1	Y276 S492 H495 Y499	Y276-G497 VanDerWaalsContact OH-CA 3.26Å; Y276-G497 WeakPolarHBondContact OH-CA 3.4Å; Y276-G497 PolarHBondContact OH-N 3.28Å; Y276-G497 VanDerWaalsContact OH-N 3.17Å; S492-G497 PolarHBondContact O-N 2.86Å; H495-G497 VanDerWaalsContact C-N 3.31Å; H495-G497 PolarHBondContact O-N 3.26Å; G497-Y499 VanDerWaalsContact C-N 3.25Å; G497-Y499 PolarHBondContact O-N 2.86Å
498	N	89.1	Confident	91.9	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.091	14%	0.135	C	C	.	.			trans	-76.5	73.6	175.3	-170	-0.7	0	0	0	112.3	H495 I500 Q501 T502 Y541	H495-N498 HydrophobicContact CB-CB 4.18Å; H495-N498 VanDerWaalsContact O-CB 3.26Å; H495-N498 WeakPolarHBondContact O-CB 3.44Å; H495-N498 PolarHBondContact O-N 3.13Å; N498-I500 PolarHBondContact O-N 3.43Å; N498-I500 PolarHBondContact OD1-N 3.32Å; N498-Q501 VanDerWaalsContact ND2-CG 3.29Å; N498-Q501 WeakPolarHBondContact ND2-CG 3.32Å; N498-Q501 PolarHBondContact O-N 3.39Å; N498-Q501 VanDerWaalsContact O-N 3.07Å; N498-T502 PolarHBondContact O-N 3.1Å; N498-T502 PolarHBondContact O-OG1 3Å; N498-T502 VanDerWaalsContact O-OG1 3.13Å; N498-Y541 HydrophobicContact CB-CD1 4.03Å; N498-Y541 HydrophobicContact CB-CE1 3.34Å; N498-Y541 VanDerWaalsContact OD1-CD1 3.24Å; N498-Y541 WeakPolarHBondContact OD1-CD1 3.44Å; N498-Y541 WeakPolarHBondContact OD1-CE1 3.39Å
499	Y	90.9	Very high	92.1	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-55.4	-16.9	179.9	61.4	-101.4	0	0	0	114.8	L476 L479 Q480 G497 V503 Y541 K542	L476-Y499 WeakPolarHBondContact O-CE2 3.23Å; L479-Y499 HydrophobicContact CB-CD2 3.89Å; L479-Y499 HydrophobicContact CB-CE2 4.35Å; Q480-Y499 HydrophobicContact CG-CD1 3.62Å; Q480-Y499 HydrophobicContact CG-CD2 3.99Å; Q480-Y499 HydrophobicContact CG-CE1 3.89Å; Q480-Y499 HydrophobicContact CG-CE2 4.27Å; Q480-Y499 HydrophobicContact CG-CG 3.66Å; G497-Y499 VanDerWaalsContact C-N 3.25Å; G497-Y499 PolarHBondContact O-N 2.86Å; Y499-V503 WeakPolarHBondContact O-CB 3.14Å; Y499-V503 VanDerWaalsContact O-CG2 3.26Å; Y499-V503 WeakPolarHBondContact O-CG2 3.39Å; Y499-V503 PolarHBondContact O-N 3.33Å; Y499-Y541 HydrophobicContact CD1-CD2 4.49Å; Y499-Y541 HydrophobicContact CE1-CD2 4.13Å; Y499-Y541 HydrophobicContact CE1-CG 4.08Å; Y499-Y541 WeakPolarHBondContact OH-CB 3.34Å; Y499-K542 WeakPolarHBondContact OH-CA 3.4Å; Y499-K542 PolarHBondContact OH-N 2.71Å; Y499-K542 VanDerWaalsContact OH-N 3.08Å
500	I	91.1	Very high	92.4	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.046	13%	0.134	C	C	.	.	H	α-helix	trans	-74.5	-51.1	176.1	-59.6	166.3	0	0	0	109.4	L476 L479 N498 V503 L504 Q544	L476-I500 HydrophobicContact CB-CD1 4.42Å; L476-I500 HydrophobicContact CD1-CD1 3.98Å; L479-I500 HydrophobicContact CD1-CG1 4.27Å; L479-I500 HydrophobicContact CD1-CG2 4.48Å; N498-I500 PolarHBondContact O-N 3.43Å; N498-I500 PolarHBondContact OD1-N 3.32Å; I500-V503 PolarHBondContact O-N 3.46Å; I500-L504 WeakPolarHBondContact O-CB 3.41Å; I500-L504 PolarHBondContact O-N 3.25Å; I500-Q544 VanDerWaalsContact CD1-OE1 3.25Å
501	Q	89.6	Confident	92.7	Very high	36 Å²	36	20.6 Å²	20.6	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-69.6	-37.2	177.2	-66.1	-65.5	8.4	0	0	111.8	N498 V503 L504 P505	N498-Q501 VanDerWaalsContact ND2-CG 3.29Å; N498-Q501 WeakPolarHBondContact ND2-CG 3.32Å; N498-Q501 PolarHBondContact O-N 3.39Å; N498-Q501 VanDerWaalsContact O-N 3.07Å; Q501-V503 PolarHBondContact O-N 2.94Å; Q501-L504 PolarHBondContact O-N 3.49Å; Q501-P505 WeakPolarHBondContact O-CD 3.39Å
502	T	92.4	Very high	92.9	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-54.1	-35.2	171.8	-57.9	0	0	0	0	113.6	L488 E491 S492 N498	L488-T502 HydrophobicContact CB-CG2 3.73Å; L488-T502 HydrophobicContact CD1-CG2 4.24Å; E491-T502 HydrophobicContact CB-CG2 3.83Å; E491-T502 PolarHBondContact O-OG1 2.71Å; S492-T502 WeakPolarHBondContact CA-OG1 3.46Å; N498-T502 PolarHBondContact O-N 3.1Å; N498-T502 PolarHBondContact O-OG1 3Å; N498-T502 VanDerWaalsContact O-OG1 3.13Å
503	V	94.3	Very high	93.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-97.9	-23.8	-173.6	170.8	0	0	0	0	112.5	L479 T482 C483 L488 Y499 I500 Q501 F506 L507	L479-V503 HydrophobicContact CD2-CG1 4.08Å; T482-V503 HydrophobicContact CG2-CG1 3.61Å; T482-V503 HydrophobicContact CG2-CG2 4.16Å; C483-V503 WeakPolarHBondContact SG-CG2 3.28Å; L488-V503 HydrophobicContact CD1-CG2 4.23Å; Y499-V503 WeakPolarHBondContact O-CB 3.14Å; Y499-V503 VanDerWaalsContact O-CG2 3.26Å; Y499-V503 WeakPolarHBondContact O-CG2 3.39Å; Y499-V503 PolarHBondContact O-N 3.33Å; I500-V503 PolarHBondContact O-N 3.46Å; Q501-V503 PolarHBondContact O-N 2.94Å; V503-F506 PolarHBondContact O-N 3Å; V503-L507 HydrophobicContact CG1-CD1 3.84Å; V503-L507 HydrophobicContact CG1-CD2 4.12Å; V503-L507 HydrophobicContact CG1-CG 3.7Å; V503-L507 WeakPolarHBondContact O-CG 3.43Å; V503-L507 PolarHBondContact O-N 3.48Å
504	L	94.2	Very high	93.2	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-55.8	-48.9	-176.4	174	68	0	0	0	113.7	T427 I500 Q501 F506 L507 L508 L547 F549	T427-L504 HydrophobicContact CG2-CD2 3.89Å; T427-L504 HydrophobicContact CG2-CG 4.38Å; I500-L504 WeakPolarHBondContact O-CB 3.41Å; I500-L504 PolarHBondContact O-N 3.25Å; Q501-L504 PolarHBondContact O-N 3.49Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.28Å; L504-L507 PolarHBondContact O-N 2.96Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CD2 4.31Å; L504-L508 HydrophobicContact CD1-CG 3.91Å; L504-L508 HydrophobicContact CG-CD1 3.9Å; L504-L508 HydrophobicContact CG-CG 4.35Å; L504-L508 WeakPolarHBondContact O-CG 3.41Å; L504-L508 PolarHBondContact O-N 3.33Å; L504-L547 HydrophobicContact CD1-CD2 4.02Å; L504-F549 HydrophobicContact CD1-CE1 4.12Å; L504-F549 HydrophobicContact CD1-CZ 4.18Å
505	P	94.1	Very high	93.4	Very high	43 Å²	43	25.4 Å²	25.4	28%	0.279	14%	0.14	S	C	.	.	H	α-helix	trans	-58	-40.2	177.6	-26.9	35.7	0	0	0	113.6	Q501 L508 A509	Q501-P505 WeakPolarHBondContact O-CD 3.39Å; P505-L508 PolarHBondContact O-N 3.4Å; P505-A509 WeakPolarHBondContact O-CB 3.07Å; P505-A509 PolarHBondContact O-N 3.14Å
506	F	95.3	Very high	93.6	Very high	50 Å²	50	25.1 Å²	25.1	22%	0.219	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-43.9	176.6	166.1	-97.2	0	0	0	111.7	T482 Q486 V503 L504 A509 L510 H623 A624	T482-F506 HydrophobicContact CG2-CD1 4.1Å; T482-F506 HydrophobicContact CG2-CE1 4Å; Q486-F506 VanDerWaalsContact CD-CZ 3.42Å; Q486-F506 HydrophobicContact CG-CD1 4.34Å; Q486-F506 HydrophobicContact CG-CD2 4.35Å; Q486-F506 HydrophobicContact CG-CE1 3.89Å; Q486-F506 HydrophobicContact CG-CE2 3.9Å; Q486-F506 HydrophobicContact CG-CZ 3.66Å; Q486-F506 VanDerWaalsContact NE2-CZ 3.35Å; V503-F506 PolarHBondContact O-N 3Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.28Å; F506-A509 PolarHBondContact O-N 3.33Å; F506-L510 HydrophobicContact CE1-CD2 4.24Å; F506-L510 HydrophobicContact CZ-CD2 4.27Å; F506-L510 VanDerWaalsContact O-CB 3.27Å; F506-L510 WeakPolarHBondContact O-CB 3.49Å; F506-L510 PolarHBondContact O-N 3.17Å; F506-H623 HydrophobicContact CZ-CB 4.18Å; F506-A624 HydrophobicContact CE1-CB 4.15Å
507	L	96.4	Very high	94	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-43.1	176.6	-63.1	-177.5	0	0	0	111.6	L473 L479 V503 L504 L510 L511 F549 L620 A624 I626	L473-L507 HydrophobicContact CD1-CD1 3.95Å; L479-L507 HydrophobicContact CD2-CD1 4.25Å; V503-L507 HydrophobicContact CG1-CD1 3.84Å; V503-L507 HydrophobicContact CG1-CD2 4.12Å; V503-L507 HydrophobicContact CG1-CG 3.7Å; V503-L507 WeakPolarHBondContact O-CG 3.43Å; V503-L507 PolarHBondContact O-N 3.48Å; L504-L507 PolarHBondContact O-N 2.96Å; L507-L510 PolarHBondContact O-N 3.31Å; L507-L511 VanDerWaalsContact O-CB 3.3Å; L507-L511 WeakPolarHBondContact O-CB 3.08Å; L507-L511 WeakPolarHBondContact O-CD1 3.18Å; L507-L511 WeakPolarHBondContact O-CG 3.3Å; L507-L511 PolarHBondContact O-N 3.08Å; L507-F549 HydrophobicContact CD1-CZ 4.43Å; L507-L620 HydrophobicContact CD2-CD2 3.69Å; L507-A624 HydrophobicContact CD2-CB 3.69Å; L507-I626 HydrophobicContact CD2-CD1 4.28Å
508	L	97.1	Very high	94.4	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-45.8	178.3	-67.3	170.7	0	0	0	111.5	T427 L504 P505 L511 Q512 L522 H524 F549	T427-L508 HydrophobicContact CG2-CD1 3.87Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CD2 4.31Å; L504-L508 HydrophobicContact CD1-CG 3.91Å; L504-L508 HydrophobicContact CG-CD1 3.9Å; L504-L508 HydrophobicContact CG-CG 4.35Å; L504-L508 WeakPolarHBondContact O-CG 3.41Å; L504-L508 PolarHBondContact O-N 3.33Å; P505-L508 PolarHBondContact O-N 3.4Å; L508-L511 PolarHBondContact O-N 3.5Å; L508-Q512 WeakPolarHBondContact O-CB 3.29Å; L508-Q512 PolarHBondContact O-N 3.49Å; L508-L522 HydrophobicContact CD2-CD2 3.9Å; L508-L522 HydrophobicContact CD2-CG 4.13Å; L508-H524 HydrophobicContact CD2-CB 4.41Å; L508-F549 HydrophobicContact CD2-CD1 4.14Å; L508-F549 HydrophobicContact CD2-CE1 3.79Å
509	A	96.3	Very high	94.7	Very high	58 Å²	58	31 Å²	31	48%	0.479	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-48	176.8	0	0	0	0	0	112.2	P505 F506 L511 Q512 Q513	P505-A509 WeakPolarHBondContact O-CB 3.07Å; P505-A509 PolarHBondContact O-N 3.14Å; F506-A509 PolarHBondContact O-N 3.33Å; A509-L511 PolarHBondContact O-N 3Å; A509-Q512 PolarHBondContact O-N 3.37Å; A509-Q513 WeakPolarHBondContact O-CB 3.41Å; A509-Q513 PolarHBondContact O-N 2.94Å
510	L	97.1	Very high	94.9	Very high	11 Å²	11	36 Å²	36	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-45.5	177.6	173.9	65.8	0	0	0	112.3	F506 L507 G514 L579 L619 H623	F506-L510 HydrophobicContact CE1-CD2 4.24Å; F506-L510 HydrophobicContact CZ-CD2 4.27Å; F506-L510 VanDerWaalsContact O-CB 3.27Å; F506-L510 WeakPolarHBondContact O-CB 3.49Å; F506-L510 PolarHBondContact O-N 3.17Å; L507-L510 PolarHBondContact O-N 3.31Å; L510-G514 PolarHBondContact O-N 2.65Å; L510-L579 HydrophobicContact CD1-CD1 4.18Å; L510-L619 HydrophobicContact CD1-CB 4.33Å; L510-L619 HydrophobicContact CD1-CD2 4.24Å; L510-L619 HydrophobicContact CD2-CB 4.34Å; L510-L619 HydrophobicContact CG-CB 4.26Å; L510-H623 HydrophobicContact CD1-CB 4.06Å; L510-H623 HydrophobicContact CD2-CB 3.77Å
511	L	97.4	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-40.3	-179.7	-69.7	169.1	0	0	0	111.7	F471 L507 L508 A509 G514 L515 L522 F549 V616 L620	F471-L511 HydrophobicContact CZ-CD1 3.88Å; F471-L511 HydrophobicContact CZ-CD2 4.45Å; L507-L511 VanDerWaalsContact O-CB 3.3Å; L507-L511 WeakPolarHBondContact O-CB 3.08Å; L507-L511 WeakPolarHBondContact O-CD1 3.18Å; L507-L511 WeakPolarHBondContact O-CG 3.3Å; L507-L511 PolarHBondContact O-N 3.08Å; L508-L511 PolarHBondContact O-N 3.5Å; A509-L511 PolarHBondContact O-N 3Å; L511-G514 PolarHBondContact O-N 3.39Å; L511-L515 VanDerWaalsContact O-CB 3.3Å; L511-L515 WeakPolarHBondContact O-CB 3.31Å; L511-L515 WeakPolarHBondContact O-CG 3.46Å; L511-L515 PolarHBondContact O-N 2.92Å; L511-L522 HydrophobicContact CB-CD2 3.83Å; L511-F549 HydrophobicContact CD1-CD1 4.24Å; L511-F549 HydrophobicContact CD1-CE1 4.22Å; L511-V616 HydrophobicContact CD2-CB 4.35Å; L511-V616 HydrophobicContact CD2-CG1 4.2Å; L511-V616 HydrophobicContact CD2-CG2 4Å; L511-L620 HydrophobicContact CD2-CD2 4.5Å
512	Q	96.4	Very high	95.6	Very high	82 Å²	82	34.8 Å²	34.8	38%	0.383	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-39.9	176.8	-174.1	61	74.7	0	0	111.8	L508 A509 G516 L522	L508-Q512 WeakPolarHBondContact O-CB 3.29Å; L508-Q512 PolarHBondContact O-N 3.49Å; A509-Q512 PolarHBondContact O-N 3.37Å; Q512-G516 PolarHBondContact O-N 2.85Å; Q512-G516 VanDerWaalsContact O-N 3.1Å; Q512-L522 HydrophobicContact CB-CD2 4.26Å
513	Q	95.3	Very high	95.8	Very high	123 Å²	123	34.7 Å²	34.7	58%	0.575	19%	0.186	S	C	*	.	H	α-helix	trans	-67.2	-46.5	174.7	-175.2	-177.5	7.2	0	0	111.7	A509 L579	A509-Q513 WeakPolarHBondContact O-CB 3.41Å; A509-Q513 PolarHBondContact O-N 2.94Å; Q513-L579 HydrophobicContact CG-CD1 4.49Å; Q513-L579 HydrophobicContact CG-CD2 4.1Å
514	G	95	Very high	95.8	Very high	3 Å²	3	35 Å²	35	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-79.2	-28.1	-174.1	0	0	0	0	0	115.6	L510 L511 W580	L510-G514 PolarHBondContact O-N 2.65Å; L511-G514 PolarHBondContact O-N 3.39Å; G514-W580 VanDerWaalsContact O-CH2 3.26Å; G514-W580 WeakPolarHBondContact O-CH2 3.42Å
515	L	95.8	Very high	95.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-83.6	-30.5	170.8	-68.7	165.7	0	0	0	111.7	L511 Q517 R518 I519 L551 P612 I615 V616	L511-L515 VanDerWaalsContact O-CB 3.3Å; L511-L515 WeakPolarHBondContact O-CB 3.31Å; L511-L515 WeakPolarHBondContact O-CG 3.46Å; L511-L515 PolarHBondContact O-N 2.92Å; L515-Q517 PolarHBondContact O-N 3Å; L515-R518 WeakPolarHBondContact O-CB 3.09Å; L515-R518 WeakPolarHBondContact O-CG 3.04Å; L515-R518 PolarHBondContact O-N 3.21Å; L515-I519 HydrophobicContact CB-CD1 3.94Å; L515-I519 HydrophobicContact CB-CG1 4.06Å; L515-I519 HydrophobicContact CB-CG2 4.28Å; L515-I519 HydrophobicContact CD1-CD1 4.12Å; L515-I519 HydrophobicContact CD1-CG2 4.31Å; L515-L551 HydrophobicContact CD1-CD1 3.99Å; L515-L551 HydrophobicContact CD1-CD2 3.74Å; L515-P612 HydrophobicContact CD2-CB 4.32Å; L515-I615 HydrophobicContact CD2-CB 4.08Å; L515-I615 HydrophobicContact CD2-CD1 4.26Å; L515-I615 HydrophobicContact CD2-CG2 3.68Å; L515-I615 HydrophobicContact CG-CG2 4.14Å; L515-V616 HydrophobicContact CD1-CG2 4.28Å
516	G	94.3	Very high	95.6	Very high	31 Å²	31	35.2 Å²	35.2	32%	0.32	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	51.9	-128.3	173	0	0	0	0	0	113.1	Q512 R518	Q512-G516 PolarHBondContact O-N 2.85Å; Q512-G516 VanDerWaalsContact O-N 3.1Å; G516-R518 PolarHBondContact O-N 3.5Å
517	Q	94.7	Very high	95.1	Very high	155 Å²	155	34 Å²	34	72%	0.724	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-74	-1.9	-177.1	-60.1	-178.1	-1.5	0	0	114.5	L515 I519 N554 L557	L515-Q517 PolarHBondContact O-N 3Å; Q517-I519 PolarHBondContact O-N 3.08Å; Q517-N554 VanDerWaalsContact O-CB 3.31Å; Q517-N554 WeakPolarHBondContact O-CB 3.39Å; Q517-N554 PolarHBondContact O-ND2 3.27Å; Q517-L557 HydrophobicContact CB-CD1 3.61Å
518	R	95.1	Very high	94.6	Very high	7 Å²	7	38 Å²	38	3%	0.026	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-74.4	-13.1	176.9	-61	170.4	171.2	-93.1	1.8	113.1	L515 G516 N554 L557 A558 S560 E563	L515-R518 WeakPolarHBondContact O-CB 3.09Å; L515-R518 WeakPolarHBondContact O-CG 3.04Å; L515-R518 PolarHBondContact O-N 3.21Å; G516-R518 PolarHBondContact O-N 3.5Å; R518-N554 PolarHBondContact O-N 3.23Å; R518-L557 HydrophobicContact CG-CB 4.36Å; R518-L557 PolarHBondContact NH1-O 2.71Å; R518-L557 VanDerWaalsContact NH1-O 3.17Å; R518-A558 PolarHBondContact NH1-O 2.98Å; R518-A558 VanDerWaalsContact NH1-O 3.1Å; R518-S560 VanDerWaalsContact CZ-O 3.28Å; R518-S560 PolarHBondContact NH1-O 2.85Å; R518-S560 PolarHBondContact NH2-O 2.94Å; R518-E563 IonicContact CZ-OE2 3.77Å; R518-E563 IonicContact NE-OE2 3.69Å; R518-E563 PolarHBondContact NE-OE2 3.32Å; R518-E563 IonicContact NH2-OE2 3.17Å; R518-E563 PolarHBondContact NH2-OE2 2.72Å
519	I	96.3	Very high	94.2	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.3	177.7	58.4	171.4	0	0	0	110.8	L515 Q517 L522 L551 L552 L553	L515-I519 HydrophobicContact CB-CD1 3.94Å; L515-I519 HydrophobicContact CB-CG1 4.06Å; L515-I519 HydrophobicContact CB-CG2 4.28Å; L515-I519 HydrophobicContact CD1-CD1 4.12Å; L515-I519 HydrophobicContact CD1-CG2 4.31Å; Q517-I519 PolarHBondContact O-N 3.08Å; I519-L522 HydrophobicContact CD1-CB 3.87Å; I519-L551 HydrophobicContact CG2-CB 4.19Å; I519-L551 HydrophobicContact CG2-CD2 4.39Å; I519-L552 CarbonylContact C-O 3.59Å; I519-L552 VanDerWaalsContact CA-O 3.25Å; I519-L552 WeakPolarHBondContact CA-O 3.48Å; I519-L552 WeakPolarHBondContact CB-O 3.2Å; I519-L553 HydrophobicContact CG2-CD2 4.12Å
520	H	95.6	Very high	93.9	Very high	118 Å²	118	38.1 Å²	38.1	55%	0.546	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-27.4	167.2	-65.8	-52	0	0	0	111.9	L552 L553	H520-L552 HydrophobicContact CB-CD2 3.89Å; H520-L552 HydrophobicContact CB-CG 4.11Å; H520-L552 PolarHBondContact N-O 3.04Å; H520-L553 PolarHBondContact CD2-O 3.02Å; H520-L553 VanDerWaalsContact CD2-O 3.24Å
521	L	96.7	Very high	93.7	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	137	179.6	-177.4	67.3	0	0	0	111.3	K432 Q433 H436 T523 L552	K432-L521 HydrophobicContact CB-CD1 4Å; Q433-L521 HydrophobicContact CB-CD2 4.2Å; Q433-L521 HydrophobicContact CG-CD2 4.26Å; H436-L521 HydrophobicContact CB-CD2 4.1Å; L521-T523 HydrophobicContact CD2-CG2 3.54Å; L521-T523 HydrophobicContact CG-CG2 3.76Å; L521-L552 HydrophobicContact CB-CB 3.99Å; L521-L552 HydrophobicContact CB-CD2 4.13Å; L521-L552 PolarHBondContact O-N 3.33Å
522	L	97.6	Very high	93.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.3	165	174.1	60.9	0	0	0	109.1	L508 L511 Q512 I519 F549 L551	L508-L522 HydrophobicContact CD2-CD2 3.9Å; L508-L522 HydrophobicContact CD2-CG 4.13Å; L511-L522 HydrophobicContact CB-CD2 3.83Å; Q512-L522 HydrophobicContact CB-CD2 4.26Å; I519-L522 HydrophobicContact CD1-CB 3.87Å; L522-F549 HydrophobicContact CD1-CD1 4.4Å; L522-L551 HydrophobicContact CD1-CD2 3.56Å
523	T	96.4	Very high	93.4	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	160.8	175.4	65.8	0	0	0	0	110.8	Q433 L521 F549 G550	Q433-T523 HydrophobicContact CB-CG2 4.12Å; Q433-T523 HydrophobicContact CG-CG2 3.86Å; Q433-T523 VanDerWaalsContact OE1-CB 3.26Å; Q433-T523 VanDerWaalsContact OE1-CG2 3.27Å; L521-T523 HydrophobicContact CD2-CG2 3.54Å; L521-T523 HydrophobicContact CG-CG2 3.76Å; T523-F549 WeakPolarHBondContact O-CA 3.17Å; T523-G550 PolarHBondContact N-O 3.21Å; T523-G550 PolarHBondContact O-N 3.07Å; T523-G550 VanDerWaalsContact OG1-CA 3.23Å; T523-G550 WeakPolarHBondContact OG1-CA 3.43Å; T523-G550 PolarHBondContact OG1-N 3.37Å; T523-G550 PolarHBondContact OG1-O 3.41Å; T523-G550 VanDerWaalsContact OG1-O 3.13Å
524	H	95.8	Very high	93.4	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154	168.8	67.4	80	0	0	0	110.8	T427 T430 M463 L508 L526 S548 F549	T427-H524 WeakPolarHBondContact CG2-NE2 3.41Å; T427-H524 PolarHBondContact OG1-NE2 3.36Å; T430-H524 PolarHBondContact OG1-NE2 3.47Å; M463-H524 VanDerWaalsContact CE-C 3.44Å; L508-H524 HydrophobicContact CD2-CB 4.41Å; H524-L526 PolarHBondContact O-N 2.93Å; H524-S548 CarbonylContact C-O 3.54Å; H524-S548 VanDerWaalsContact CA-O 3.28Å; H524-S548 WeakPolarHBondContact CA-O 3.4Å; H524-F549 HydrophobicContact CB-CD1 3.94Å; H524-F549 HydrophobicContact CB-CE1 4.13Å
525	S	92.6	Very high	93.4	Very high	28 Å²	28	40.6 Å²	40.6	20%	0.196	22%	0.219	C	C	.	.			trans	-60.9	135.4	173	54.8	0	0	0	0	109.6	P527 S548	S525-P527 VanDerWaalsContact O-CD 3.29Å; S525-P527 WeakPolarHBondContact O-CD 3.35Å; S525-S548 PolarHBondContact N-O 2.89Å; S525-S548 PolarHBondContact OG-N 3.21Å; S525-S548 PolarHBondContact OG-O 3.35Å
526	L	90.8	Very high	93.2	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.126	24%	0.238	C	C	.	.			trans	-84.1	107.5	167.2	-57.3	172.8	0	0	0	106.6	L337 Q339 C343 T430 H524	L337-L526 HydrophobicContact CD2-CD1 4.32Å; Q339-L526 WeakPolarHBondContact O-CB 3.49Å; C343-L526 HydrophobicContact CB-CD1 3.76Å; T430-L526 HydrophobicContact CG2-CD2 4.01Å; H524-L526 PolarHBondContact O-N 2.93Å
527	P	85.6	Confident	93.1	Very high	24 Å²	24	47.7 Å²	47.7	16%	0.156	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-65.8	131.3	-174.1	-20	33.8	0	0	0	109.7	G340 A341 S525	G340-P527 CarbonylContact C-O 3.58Å; G340-P527 WeakPolarHBondContact CA-O 3.48Å; A341-P527 PolarHBondContact N-O 2.97Å; S525-P527 VanDerWaalsContact O-CD 3.29Å; S525-P527 WeakPolarHBondContact O-CD 3.35Å
528	P	85.7	Confident	92.8	Very high	87 Å²	87	40.9 Å²	40.9	57%	0.565	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-63.4	151.6	-178.7	26.1	-34.6	0	0	0	111.1	P530	P528-P530 WeakPolarHBondContact O-CD 3.26Å
529	D	87.6	Confident	92.6	Very high	41 Å²	41	42.3 Å²	42.3	22%	0.219	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-59	120.8	174.1	-65.5	-23.9	0	0	0	108.7	C224 H226 G227 E531	C224-D529 VanDerWaalsContact O-CG 3.26Å; H226-D529 VanDerWaalsContact C-OD1 3.29Å; H226-D529 VanDerWaalsContact CA-OD1 3.27Å; H226-D529 WeakPolarHBondContact CA-OD1 3.46Å; H226-D529 PolarHBondContact N-OD1 3.03Å; G227-D529 PolarHBondContact N-OD1 3.36Å; D529-E531 PolarHBondContact O-N 3.34Å
530	P	89.6	Confident	92.2	Very high	24 Å²	24	48.4 Å²	48.4	16%	0.156	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-67.8	132.7	-176.9	26.3	-32.9	0	0	0	109.8	S223 C224 P528 W532 P539	S223-P530 WeakPolarHBondContact CA-O 3.28Å; S223-P530 WeakPolarHBondContact CB-O 3.02Å; S223-P530 PolarHBondContact OG-O 3.04Å; C224-P530 HydrophobicContact CB-CG 4.39Å; P528-P530 WeakPolarHBondContact O-CD 3.26Å; P530-W532 HydrophobicContact CB-CE3 4.43Å; P530-W532 HydrophobicContact CB-CZ3 4.42Å; P530-W532 HydrophobicContact CG-CZ3 4.18Å; P530-W532 WeakPolarHBondContact O-CZ3 3.49Å; P530-P539 HydrophobicContact CB-CG 4.34Å
531	E	92.8	Very high	91.7	Very high	88 Å²	88	44.3 Å²	44.3	41%	0.411	24%	0.237	S	C	.	.			trans	-108.2	139.9	170.5	-66.6	-170.2	-168.6	0	0	110.6	R221 Y222 L235 D529	R221-E531 WeakPolarHBondContact CD-OE2 3.39Å; R221-E531 IonicContact CZ-OE2 2.79Å; R221-E531 IonicContact NE-OE2 2.76Å; R221-E531 IonicContact NH1-OE2 3.65Å; R221-E531 PolarHBondContact NH1-OE2 3.28Å; Y222-E531 WeakPolarHBondContact O-CA 3.4Å; L235-E531 HydrophobicContact CD1-CG 3.86Å; L235-E531 WeakPolarHBondContact CD1-OE1 3.45Å; D529-E531 PolarHBondContact O-N 3.34Å
532	W	94.4	Very high	91	Very high	26 Å²	26	50 Å²	50	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.4	174.5	68.4	101.6	0	0	0	112.5	P137 R221 Y222 P530 S536 A538 P539	P137-W532 HydrophobicContact CB-CZ2 3.76Å; R221-W532 CarbonylContact C-O 3.27Å; R221-W532 VanDerWaalsContact CA-O 3.32Å; R221-W532 WeakPolarHBondContact CA-O 3.5Å; R221-W532 WeakPolarHBondContact CB-O 3.48Å; Y222-W532 HydrophobicContact CD2-CZ2 4.42Å; Y222-W532 AromaticContact CD2-NE1 3.65Å; Y222-W532 HydrophobicContact CG-CZ2 4.33Å; Y222-W532 PolarHBondContact N-O 3Å; Y222-W532 PolarHBondContact O-N 3.11Å; P530-W532 HydrophobicContact CB-CE3 4.43Å; P530-W532 HydrophobicContact CB-CZ3 4.42Å; P530-W532 HydrophobicContact CG-CZ3 4.18Å; P530-W532 WeakPolarHBondContact O-CZ3 3.49Å; W532-S536 PolarHBondContact NE1-O 3Å; W532-A538 HydrophobicContact CZ2-CB 3.97Å; W532-P539 HydrophobicContact CD2-CG 4Å; W532-P539 VanDerWaalsContact CE2-CD 3.5Å; W532-P539 HydrophobicContact CE3-CG 3.8Å; W532-P539 HydrophobicContact CG-CG 4.49Å; W532-P539 HydrophobicContact CZ3-CG 4.19Å
533	S	95	Very high	90.2	Very high	41 Å²	41	53.5 Å²	53.5	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	142.9	175.3	170.6	0	0	0	0	111.5	E535 S536	S533-E535 PolarHBondContact O-N 2.87Å; S533-E535 WeakPolarHBondContact OG-CB 3.36Å; S533-E535 PolarHBondContact OG-N 3.11Å; S533-E535 VanDerWaalsContact OG-N 3.15Å; S533-S536 PolarHBondContact O-N 3.23Å
534	V	95.1	Very high	89.6	Confident	3 Å²	3	55 Å²	55	2%	0.018	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12	173.4	-62.5	0	0	0	0	114.1	V134 K135 A208 K212 L220 Y222 L234	V134-V534 CarbonylContact C-O 3.55Å; V134-V534 WeakPolarHBondContact CA-O 3.37Å; K135-V534 PolarHBondContact N-O 3.05Å; A208-V534 HydrophobicContact CB-CG1 4.25Å; K212-V534 HydrophobicContact CD-CG2 4.43Å; L220-V534 HydrophobicContact CB-CG1 4.02Å; L220-V534 HydrophobicContact CB-CG2 3.93Å; Y222-V534 HydrophobicContact CD1-CG1 4.07Å; Y222-V534 HydrophobicContact CD2-CB 4.14Å; Y222-V534 HydrophobicContact CD2-CG1 3.87Å; Y222-V534 HydrophobicContact CE1-CG1 3.92Å; Y222-V534 VanDerWaalsContact CE2-CA 3.5Å; Y222-V534 HydrophobicContact CE2-CB 3.73Å; Y222-V534 HydrophobicContact CE2-CG1 3.75Å; Y222-V534 HydrophobicContact CG-CG1 4.05Å; L234-V534 HydrophobicContact CD1-CG1 3.7Å
535	E	93.4	Very high	89.1	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.8	175.2	-56.1	-177.2	139.9	0	0	113.4	K135 K212 S533	K135-E535 WeakPolarHBondContact CG-O 3.2Å; K212-E535 VanDerWaalsContact NZ-CD 3.34Å; K212-E535 IonicContact NZ-OE1 2.71Å; K212-E535 PolarHBondContact NZ-OE1 3.11Å; S533-E535 PolarHBondContact O-N 2.87Å; S533-E535 WeakPolarHBondContact OG-CB 3.36Å; S533-E535 PolarHBondContact OG-N 3.11Å; S533-E535 VanDerWaalsContact OG-N 3.15Å
536	S	93	Very high	89	Confident	58 Å²	58	58.7 Å²	58.7	41%	0.406	32%	0.32	S	S	.	.	S	Bend	trans	-98.5	141.4	-174.2	-73	0	0	0	0	112.3	K135 W532 S533	K135-S536 WeakPolarHBondContact CB-O 3.44Å; W532-S536 PolarHBondContact NE1-O 3Å; S533-S536 PolarHBondContact O-N 3.23Å
537	E	90.4	Very high	89.1	Confident	125 Å²	125	57.9 Å²	57.9	58%	0.584	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-57.7	142.8	168.7	-61.4	-65.9	161	0	0	110.5	K135	K135-E537 WeakPolarHBondContact CD-OE1 3.12Å; K135-E537 VanDerWaalsContact CE-OE1 3.31Å; K135-E537 WeakPolarHBondContact CE-OE1 3.31Å; K135-E537 IonicContact NZ-OE1 2.8Å; K135-E537 PolarHBondContact NZ-OE1 2.99Å
538	A	89.9	Confident	89.5	Confident	13 Å²	13	57 Å²	57	11%	0.107	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-55.6	132.1	-177.6	0	0	0	0	0	112	L139 W532	L139-A538 HydrophobicContact CD2-CB 4.14Å; L139-A538 HydrophobicContact CG-CB 4.41Å; W532-A538 HydrophobicContact CZ2-CB 3.97Å
539	P	89.6	Confident	90	Very high	37 Å²	37	52.9 Å²	52.9	24%	0.24	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.2	-173.5	24.4	-33.7	0	0	0	110.9	R229 P530 W532	R229-P539 PolarHBondContact NH1-O 3.4Å; P530-P539 HydrophobicContact CB-CG 4.34Å; W532-P539 HydrophobicContact CD2-CG 4Å; W532-P539 VanDerWaalsContact CE2-CD 3.5Å; W532-P539 HydrophobicContact CE3-CG 3.8Å; W532-P539 HydrophobicContact CG-CG 4.49Å; W532-P539 HydrophobicContact CZ3-CG 4.19Å
540	K	88.1	Confident	90.4	Very high	139 Å²	139	50.9 Å²	50.9	60%	0.604	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-76.3	157.1	179.7	-66.7	173.9	-178.1	172.4	0	110.8	R229 K542 A543	R229-K540 VanDerWaalsContact NH1-C 3.32Å; K540-K542 HydrophobicContact CB-CG 4.18Å; K540-K542 PolarHBondContact O-N 3.34Å; K540-A543 WeakPolarHBondContact O-CB 3.35Å; K540-A543 PolarHBondContact O-N 3.05Å
541	Y	84.6	Confident	90.8	Very high	31 Å²	31	49.8 Å²	49.8	12%	0.122	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.5	178.3	-62.3	-76.5	0	0	0	112	L139 R229 N498 Y499 A543 Q544	L139-Y541 HydrophobicContact CD1-CD2 4.19Å; L139-Y541 HydrophobicContact CD1-CE2 3.7Å; R229-Y541 VanDerWaalsContact CD-CE1 3.4Å; R229-Y541 HydrophobicContact CG-CE1 4.29Å; R229-Y541 VanDerWaalsContact CZ-CD1 3.43Å; N498-Y541 HydrophobicContact CB-CD1 4.03Å; N498-Y541 HydrophobicContact CB-CE1 3.34Å; N498-Y541 VanDerWaalsContact OD1-CD1 3.24Å; N498-Y541 WeakPolarHBondContact OD1-CD1 3.44Å; N498-Y541 WeakPolarHBondContact OD1-CE1 3.39Å; Y499-Y541 HydrophobicContact CD1-CD2 4.49Å; Y499-Y541 HydrophobicContact CE1-CD2 4.13Å; Y499-Y541 HydrophobicContact CE1-CG 4.08Å; Y499-Y541 WeakPolarHBondContact OH-CB 3.34Å; Y541-A543 PolarHBondContact O-N 2.9Å; Y541-Q544 PolarHBondContact O-N 3Å
542	K	83.1	Confident	90.9	Very high	138 Å²	138	46.1 Å²	46.1	60%	0.6	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.4	-0.9	176	75.2	157	-164.9	161.9	0	116.8	V477 Y499 K540	V477-K542 HydrophobicContact CG2-CB 3.54Å; V477-K542 HydrophobicContact CG2-CD 3.92Å; V477-K542 HydrophobicContact CG2-CG 4.39Å; Y499-K542 WeakPolarHBondContact OH-CA 3.4Å; Y499-K542 PolarHBondContact OH-N 2.71Å; Y499-K542 VanDerWaalsContact OH-N 3.08Å; K540-K542 HydrophobicContact CB-CG 4.18Å; K540-K542 PolarHBondContact O-N 3.34Å
543	A	81.5	Confident	91	Very high	74 Å²	74	45.6 Å²	45.6	61%	0.612	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-106.1	8.4	178.3	0	0	0	0	0	112.4	K540 Y541	K540-A543 WeakPolarHBondContact O-CB 3.35Å; K540-A543 PolarHBondContact O-N 3.05Å; Y541-A543 PolarHBondContact O-N 2.9Å
544	Q	82.6	Confident	90.9	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.178	24%	0.24	C	C	.	.	S	Bend	trans	-78.6	153.2	172	-72.7	-178.7	-63.1	0	0	111.1	L476 I500 Y541	L476-Q544 HydrophobicContact CD1-CB 4.41Å; I500-Q544 VanDerWaalsContact CD1-OE1 3.25Å; Y541-Q544 PolarHBondContact O-N 3Å
545	P	85.6	Confident	90.6	Very high	75 Å²	75	47.6 Å²	47.6	49%	0.487	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-63	160.9	177.6	27.6	-36.3	0	0	0	112.1	L547	P545-L547 PolarHBondContact O-N 2.64Å
546	P	90.1	Very high	90.3	Very high	35 Å²	35	50.3 Å²	50.3	23%	0.227	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-53.4	130.5	178	-27.3	35.8	0	0	0	113.1	Q472 L473 S548	Q472-P546 HydrophobicContact CB-CB 4.04Å; L473-P546 WeakPolarHBondContact O-CA 3.42Å; P546-S548 PolarHBondContact O-N 3.04Å; P546-S548 PolarHBondContact O-OG 2.88Å
547	L	92.4	Very high	90.3	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	111.4	176.6	-178.9	65.2	0	0	0	108.5	Q472 L473 L476 L504 P545 F549	Q472-L547 WeakPolarHBondContact CA-O 3.33Å; L473-L547 HydrophobicContact CB-CB 4.45Å; L473-L547 PolarHBondContact N-O 3.17Å; L473-L547 PolarHBondContact O-N 3.01Å; L476-L547 HydrophobicContact CD2-CB 3.93Å; L504-L547 HydrophobicContact CD1-CD2 4.02Å; P545-L547 PolarHBondContact O-N 2.64Å; L547-F549 HydrophobicContact CB-CE2 4.37Å; L547-F549 HydrophobicContact CD2-CE2 3.7Å; L547-F549 HydrophobicContact CD2-CZ 3.55Å; L547-F549 HydrophobicContact CG-CD2 4.45Å; L547-F549 HydrophobicContact CG-CE2 3.63Å; L547-F549 HydrophobicContact CG-CZ 3.87Å
548	S	94.7	Very high	90.4	Very high	5 Å²	5	44.8 Å²	44.8	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.2	-176.7	-53.6	0	0	0	0	110.6	F471 Q472 H524 S525 P546	F471-S548 CarbonylContact O-C 3.57Å; F471-S548 WeakPolarHBondContact O-CA 3.3Å; Q472-S548 PolarHBondContact NE2-OG 3.39Å; Q472-S548 VanDerWaalsContact NE2-OG 3.09Å; H524-S548 CarbonylContact C-O 3.54Å; H524-S548 VanDerWaalsContact CA-O 3.28Å; H524-S548 WeakPolarHBondContact CA-O 3.4Å; S525-S548 PolarHBondContact N-O 2.89Å; S525-S548 PolarHBondContact OG-N 3.21Å; S525-S548 PolarHBondContact OG-O 3.35Å; P546-S548 PolarHBondContact O-N 3.04Å; P546-S548 PolarHBondContact O-OG 2.88Å
549	F	96.8	Very high	90.4	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.6	178.8	-66.3	-96	0	0	0	109.2	V470 F471 L473 L504 L507 L508 L511 L522 T523 H524 L547	V470-F549 VanDerWaalsContact CA-O 3.3Å; V470-F549 WeakPolarHBondContact CA-O 3.34Å; F471-F549 HydrophobicContact CD1-CB 4Å; F471-F549 HydrophobicContact CD2-CB 4.28Å; F471-F549 HydrophobicContact CD2-CD2 4.11Å; F471-F549 HydrophobicContact CE1-CB 3.52Å; F471-F549 HydrophobicContact CE1-CG 4.24Å; F471-F549 HydrophobicContact CE2-CB 3.83Å; F471-F549 AromaticContact CE2-CD2 3.48Å; F471-F549 HydrophobicContact CE2-CD2 3.48Å; F471-F549 VanDerWaalsContact CE2-CD2 3.48Å; F471-F549 HydrophobicContact CE2-CE2 4.21Å; F471-F549 AromaticContact CE2-CG 3.8Å; F471-F549 HydrophobicContact CE2-CG 3.8Å; F471-F549 HydrophobicContact CG-CB 4.36Å; F471-F549 HydrophobicContact CZ-CB 3.43Å; F471-F549 VanDerWaalsContact CZ-CB 3.43Å; F471-F549 HydrophobicContact CZ-CD1 4.34Å; F471-F549 AromaticContact CZ-CD2 3.82Å; F471-F549 HydrophobicContact CZ-CD2 3.82Å; F471-F549 AromaticContact CZ-CG 3.62Å; F471-F549 HydrophobicContact CZ-CG 3.62Å; F471-F549 PolarHBondContact N-O 3.09Å; F471-F549 PolarHBondContact O-N 3.4Å; L473-F549 HydrophobicContact CD1-CE2 3.7Å; L473-F549 HydrophobicContact CD1-CZ 4.31Å; L473-F549 HydrophobicContact CG-CD2 4.43Å; L473-F549 HydrophobicContact CG-CE2 3.88Å; L504-F549 HydrophobicContact CD1-CE1 4.12Å; L504-F549 HydrophobicContact CD1-CZ 4.18Å; L507-F549 HydrophobicContact CD1-CZ 4.43Å; L508-F549 HydrophobicContact CD2-CD1 4.14Å; L508-F549 HydrophobicContact CD2-CE1 3.79Å; L511-F549 HydrophobicContact CD1-CD1 4.24Å; L511-F549 HydrophobicContact CD1-CE1 4.22Å; L522-F549 HydrophobicContact CD1-CD1 4.4Å; T523-F549 WeakPolarHBondContact O-CA 3.17Å; H524-F549 HydrophobicContact CB-CD1 3.94Å; H524-F549 HydrophobicContact CB-CE1 4.13Å; L547-F549 HydrophobicContact CB-CE2 4.37Å; L547-F549 HydrophobicContact CD2-CE2 3.7Å; L547-F549 HydrophobicContact CD2-CZ 3.55Å; L547-F549 HydrophobicContact CG-CD2 4.45Å; L547-F549 HydrophobicContact CG-CE2 3.63Å; L547-F549 HydrophobicContact CG-CZ 3.87Å
550	G	96.2	Very high	90.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.5	178.7	0	0	0	0	0	111.4	S467 T523	S467-G550 VanDerWaalsContact OG-CA 3.32Å; S467-G550 WeakPolarHBondContact OG-CA 3.08Å; T523-G550 PolarHBondContact N-O 3.21Å; T523-G550 PolarHBondContact O-N 3.07Å; T523-G550 VanDerWaalsContact OG1-CA 3.23Å; T523-G550 WeakPolarHBondContact OG1-CA 3.43Å; T523-G550 PolarHBondContact OG1-N 3.37Å; T523-G550 PolarHBondContact OG1-O 3.41Å; T523-G550 VanDerWaalsContact OG1-O 3.13Å
551	L	96.8	Very high	91	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.4	176.1	-52.6	-177.9	0	0	0	108.9	D468 C469 F471 L515 I519 L522 L553 P612	D468-L551 PolarHBondContact N-O 2.9Å; C469-L551 HydrophobicContact CB-CB 4.28Å; C469-L551 HydrophobicContact CB-CD1 4.48Å; C469-L551 PolarHBondContact N-O 3.3Å; C469-L551 PolarHBondContact O-N 2.89Å; F471-L551 HydrophobicContact CE1-CD2 4.42Å; L515-L551 HydrophobicContact CD1-CD1 3.99Å; L515-L551 HydrophobicContact CD1-CD2 3.74Å; I519-L551 HydrophobicContact CG2-CB 4.19Å; I519-L551 HydrophobicContact CG2-CD2 4.39Å; L522-L551 HydrophobicContact CD1-CD2 3.56Å; L551-L553 HydrophobicContact CB-CD2 4.19Å; L551-P612 HydrophobicContact CD1-CB 4.26Å
552	L	96.4	Very high	91.4	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.3	162.4	-179.5	67.5	0	0	0	107.1	I519 H520 L521 T888	I519-L552 CarbonylContact C-O 3.59Å; I519-L552 VanDerWaalsContact CA-O 3.25Å; I519-L552 WeakPolarHBondContact CA-O 3.48Å; I519-L552 WeakPolarHBondContact CB-O 3.2Å; H520-L552 HydrophobicContact CB-CD2 3.89Å; H520-L552 HydrophobicContact CB-CG 4.11Å; H520-L552 PolarHBondContact N-O 3.04Å; L521-L552 HydrophobicContact CB-CB 3.99Å; L521-L552 HydrophobicContact CB-CD2 4.13Å; L521-L552 PolarHBondContact O-N 3.33Å; L552-T888 HydrophobicContact CD1-CG2 4.23Å; L552-T888 WeakPolarHBondContact CD1-OG1 3.26Å; L552-T888 HydrophobicContact CD2-CG2 4.38Å
553	L	94.9	Very high	91.8	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	147.6	-169.5	-65.1	-179.8	0	0	0	112.1	D468 I519 H520 L551 P555 A558 P612	D468-L553 HydrophobicContact CB-CB 4.44Å; D468-L553 HydrophobicContact CB-CD1 4.11Å; D468-L553 HydrophobicContact CB-CG 4.01Å; D468-L553 PolarHBondContact OD2-N 3.48Å; I519-L553 HydrophobicContact CG2-CD2 4.12Å; H520-L553 PolarHBondContact CD2-O 3.02Å; H520-L553 VanDerWaalsContact CD2-O 3.24Å; L551-L553 HydrophobicContact CB-CD2 4.19Å; L553-P555 WeakPolarHBondContact O-CD 3.44Å; L553-A558 HydrophobicContact CB-CB 4.03Å; L553-A558 HydrophobicContact CD1-CB 4.19Å; L553-A558 HydrophobicContact CD2-CB 4.03Å; L553-A558 HydrophobicContact CG-CB 4.3Å; L553-P612 HydrophobicContact CD2-CG 4.21Å
554	N	94.1	Very high	92.3	Very high	22 Å²	22	39.3 Å²	39.3	12%	0.118	22%	0.218	C	C	.	.			trans	-87.2	110.5	160.4	175.8	-2.7	0	0	0	108.4	Q517 R518 E556 L557 A558	Q517-N554 VanDerWaalsContact O-CB 3.31Å; Q517-N554 WeakPolarHBondContact O-CB 3.39Å; Q517-N554 PolarHBondContact O-ND2 3.27Å; R518-N554 PolarHBondContact O-N 3.23Å; N554-E556 PolarHBondContact O-N 2.82Å; N554-E556 PolarHBondContact OD1-N 2.81Å; N554-L557 PolarHBondContact O-N 3.24Å; N554-A558 WeakPolarHBondContact O-CB 3.25Å; N554-A558 PolarHBondContact O-N 3.25Å
555	P	87.4	Confident	92.8	Very high	64 Å²	64	38.1 Å²	38.1	42%	0.416	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.8	-172.5	26.1	-34.8	0	0	0	113.7	L553	L553-P555 WeakPolarHBondContact O-CD 3.44Å
556	E	88.4	Confident	93.1	Very high	169 Å²	169	35.6 Å²	35.6	79%	0.79	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.9	179.5	-59.3	-175.6	164.1	0	0	112.5	N554	N554-E556 PolarHBondContact O-N 2.82Å; N554-E556 PolarHBondContact OD1-N 2.81Å
557	L	92.6	Very high	93.3	Very high	59 Å²	59	37 Å²	37	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-26.8	-170.1	-62.9	-178.5	0	0	0	114.1	Q517 R518 N554 A559 S560	Q517-L557 HydrophobicContact CB-CD1 3.61Å; R518-L557 HydrophobicContact CG-CB 4.36Å; R518-L557 PolarHBondContact NH1-O 2.71Å; R518-L557 VanDerWaalsContact NH1-O 3.17Å; N554-L557 PolarHBondContact O-N 3.24Å; L557-A559 VanDerWaalsContact C-N 3.26Å; L557-A559 PolarHBondContact O-N 2.95Å; L557-S560 WeakPolarHBondContact O-CB 3.33Å; L557-S560 PolarHBondContact O-N 3.46Å
558	A	91.8	Very high	93.1	Very high	8 Å²	8	38.6 Å²	38.6	7%	0.066	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.3	-174.1	0	0	0	0	0	113.3	R518 L553 N554	R518-A558 PolarHBondContact NH1-O 2.98Å; R518-A558 VanDerWaalsContact NH1-O 3.1Å; L553-A558 HydrophobicContact CB-CB 4.03Å; L553-A558 HydrophobicContact CD1-CB 4.19Å; L553-A558 HydrophobicContact CD2-CB 4.03Å; L553-A558 HydrophobicContact CG-CB 4.3Å; N554-A558 WeakPolarHBondContact O-CB 3.25Å; N554-A558 PolarHBondContact O-N 3.25Å
559	A	91.6	Very high	92.9	Very high	41 Å²	41	45.4 Å²	45.4	34%	0.339	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	2.7	-179.4	0	0	0	0	0	114.7	L557 V561 R608	L557-A559 VanDerWaalsContact C-N 3.26Å; L557-A559 PolarHBondContact O-N 2.95Å; A559-V561 PolarHBondContact O-N 3.08Å; A559-R608 HydrophobicContact CB-CB 4.14Å
560	S	93.8	Very high	92.7	Very high	46 Å²	46	46.6 Å²	46.6	32%	0.322	27%	0.267	S	S	.	.			trans	-67.6	122.6	178.6	179.3	0	0	0	0	111.1	R518 L557 L562	R518-S560 VanDerWaalsContact CZ-O 3.28Å; R518-S560 PolarHBondContact NH1-O 2.85Å; R518-S560 PolarHBondContact NH2-O 2.94Å; L557-S560 WeakPolarHBondContact O-CB 3.33Å; L557-S560 PolarHBondContact O-N 3.46Å; S560-L562 PolarHBondContact O-N 2.74Å; S560-L562 PolarHBondContact OG-N 2.96Å; S560-L562 PolarHBondContact OG-O 3.36Å
561	V	95.1	Very high	92.4	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.248	30%	0.301	C	S	.	.	S	Bend	trans	-74.7	-12.6	174.5	-63.2	0	0	0	0	113.5	A559 L599 W600 R608 V611	A559-V561 PolarHBondContact O-N 3.08Å; V561-L599 HydrophobicContact CG2-CD1 4.4Å; V561-W600 PolarHBondContact O-N 3.2Å; V561-R608 HydrophobicContact CG1-CG 3.79Å; V561-V611 HydrophobicContact CG1-CG2 4.36Å
562	L	93.8	Very high	92.2	Very high	44 Å²	44	57 Å²	57	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	-175	-175.3	59.9	0	0	0	110.5	S560 F589 A597 L599	S560-L562 PolarHBondContact O-N 2.74Å; S560-L562 PolarHBondContact OG-N 2.96Å; S560-L562 PolarHBondContact OG-O 3.36Å; L562-F589 HydrophobicContact CD2-CE1 3.66Å; L562-F589 HydrophobicContact CD2-CZ 3.94Å; L562-F589 HydrophobicContact CG-CZ 4.43Å; L562-A597 HydrophobicContact CD1-CB 4.15Å; L562-L599 HydrophobicContact CD1-CD1 4.32Å
563	E	92.3	Very high	92	Very high	51 Å²	51	56.5 Å²	56.5	24%	0.238	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.9	167.1	-156.4	62.3	-130	0	0	108.2	R518 F576 W580 A597 V598	R518-E563 IonicContact CZ-OE2 3.77Å; R518-E563 IonicContact NE-OE2 3.69Å; R518-E563 PolarHBondContact NE-OE2 3.32Å; R518-E563 IonicContact NH2-OE2 3.17Å; R518-E563 PolarHBondContact NH2-OE2 2.72Å; E563-F576 HydrophobicContact CG-CE2 4.32Å; E563-F576 HydrophobicContact CG-CZ 4.29Å; E563-W580 HydrophobicContact CG-CZ2 4.48Å; E563-A597 CarbonylContact O-C 3.52Å; E563-A597 WeakPolarHBondContact O-CA 3.37Å; E563-A597 WeakPolarHBondContact O-CB 3.4Å; E563-V598 HydrophobicContact CB-CB 4.01Å; E563-V598 PolarHBondContact N-O 3.07Å; E563-V598 PolarHBondContact O-N 2.73Å
564	K	91.7	Very high	91.9	Very high	94 Å²	94	58.1 Å²	58.1	41%	0.409	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.2	174.3	-172.3	173.4	-172.2	177.3	0	108.7	F589 D591 T595	K564-F589 HydrophobicContact CB-CE1 4.37Å; K564-F589 HydrophobicContact CB-CZ 3.99Å; K564-F589 HydrophobicContact CD-CD1 4.12Å; K564-F589 HydrophobicContact CD-CD2 4.45Å; K564-F589 HydrophobicContact CD-CE1 3.77Å; K564-F589 HydrophobicContact CD-CE2 4.15Å; K564-F589 HydrophobicContact CD-CG 4.45Å; K564-F589 HydrophobicContact CD-CZ 3.79Å; K564-F589 HydrophobicContact CG-CE1 4.08Å; K564-F589 HydrophobicContact CG-CE2 3.96Å; K564-F589 HydrophobicContact CG-CZ 3.61Å; K564-D591 IonicContact NZ-OD2 3.14Å; K564-D591 PolarHBondContact NZ-OD2 2.64Å; K564-T595 HydrophobicContact CG-CG2 4.48Å
565	G	91.7	Very high	91.9	Very high	12 Å²	12	62.9 Å²	62.9	12%	0.124	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-173.4	176.4	0	0	0	0	0	113.3	T595 E596	G565-T595 WeakPolarHBondContact O-CB 3.32Å; G565-E596 VanDerWaalsContact CA-O 3.28Å; G565-E596 WeakPolarHBondContact CA-O 3.4Å; G565-E596 PolarHBondContact N-O 3.39Å
566	P	93.6	Very high	92.2	Very high	22 Å²	22	61.1 Å²	61.1	14%	0.143	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	163.5	177.1	30.9	-35.8	0	0	0	112.3	Q572 A573 F576 T595 E596	P566-Q572 HydrophobicContact CB-CB 3.97Å; P566-Q572 HydrophobicContact CG-CB 3.82Å; P566-A573 HydrophobicContact CG-CB 4.3Å; P566-F576 HydrophobicContact CG-CB 4.21Å; P566-T595 WeakPolarHBondContact O-CA 3.45Å; P566-T595 VanDerWaalsContact O-CB 3.27Å; P566-T595 WeakPolarHBondContact O-CB 3.35Å; P566-E596 PolarHBondContact O-N 2.83Å
567	P	93.6	Very high	92.5	Very high	65 Å²	65	59 Å²	59	42%	0.422	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	142.7	170.5	-27.4	36.4	0	0	0	112.7	D569 S570	P567-D569 WeakPolarHBondContact CB-OD1 3.28Å; P567-D569 PolarHBondContact O-N 3.38Å; P567-D569 VanDerWaalsContact O-N 3.11Å; P567-S570 VanDerWaalsContact O-CB 3.24Å; P567-S570 WeakPolarHBondContact O-CB 3.37Å; P567-S570 PolarHBondContact O-N 2.92Å
568	A	88.8	Confident	92.6	Very high	39 Å²	39	63.1 Å²	63.1	32%	0.322	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.9	-172.9	0	0	0	0	0	114.6	L586 I594	A568-L586 HydrophobicContact CB-CD2 3.58Å; A568-I594 HydrophobicContact CB-CG2 4.26Å; A568-I594 PolarHBondContact N-O 3.2Å
569	D	90.3	Very high	92.8	Very high	148 Å²	148	63.6 Å²	63.6	79%	0.791	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.1	176.8	58.7	-29.4	0	0	0	113.8	P567	P567-D569 WeakPolarHBondContact CB-OD1 3.28Å; P567-D569 PolarHBondContact O-N 3.38Å; P567-D569 VanDerWaalsContact O-N 3.11Å
570	S	92.9	Very high	93	Very high	26 Å²	26	62 Å²	62	18%	0.182	34%	0.335	C	S	.	.	S	Bend	trans	-72	141.5	175.6	-180	0	0	0	0	111.5	P567 Q572 A573	P567-S570 VanDerWaalsContact O-CB 3.24Å; P567-S570 WeakPolarHBondContact O-CB 3.37Å; P567-S570 PolarHBondContact O-N 2.92Å; S570-Q572 PolarHBondContact O-N 3.09Å; S570-Q572 VanDerWaalsContact O-N 3.16Å; S570-Q572 WeakPolarHBondContact OG-CB 3.44Å; S570-Q572 PolarHBondContact OG-N 3.18Å; S570-Q572 PolarHBondContact OG-OE1 3.33Å; S570-A573 VanDerWaalsContact O-CB 3.24Å; S570-A573 WeakPolarHBondContact O-CB 3.19Å; S570-A573 PolarHBondContact O-N 2.73Å
571	P	90.1	Very high	93.1	Very high	110 Å²	110	61 Å²	61	71%	0.714	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.2	170.8	24.1	-34.2	0	0	0	112.5	A573 A574	P571-A573 PolarHBondContact O-N 3.08Å; P571-A574 WeakPolarHBondContact O-CB 3.42Å; P571-A574 PolarHBondContact O-N 3.29Å
572	Q	91.9	Very high	93	Very high	110 Å²	110	65 Å²	65	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-19.6	176.8	-63.2	166.3	-26.5	0	0	112.9	P566 S570 A574 E575 F576	P566-Q572 HydrophobicContact CB-CB 3.97Å; P566-Q572 HydrophobicContact CG-CB 3.82Å; S570-Q572 PolarHBondContact O-N 3.09Å; S570-Q572 VanDerWaalsContact O-N 3.16Å; S570-Q572 WeakPolarHBondContact OG-CB 3.44Å; S570-Q572 PolarHBondContact OG-N 3.18Å; S570-Q572 PolarHBondContact OG-OE1 3.33Å; Q572-A574 PolarHBondContact O-N 3.29Å; Q572-E575 PolarHBondContact O-N 2.7Å; Q572-F576 WeakPolarHBondContact O-CB 3.19Å; Q572-F576 PolarHBondContact O-N 3.45Å
573	A	92.5	Very high	93.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-25	173.9	0	0	0	0	0	112.5	P566 S570 P571 R577 E596	P566-A573 HydrophobicContact CG-CB 4.3Å; S570-A573 VanDerWaalsContact O-CB 3.24Å; S570-A573 WeakPolarHBondContact O-CB 3.19Å; S570-A573 PolarHBondContact O-N 2.73Å; P571-A573 PolarHBondContact O-N 3.08Å; A573-R577 WeakPolarHBondContact O-CB 3.48Å; A573-R577 WeakPolarHBondContact O-CG 3.43Å; A573-R577 PolarHBondContact O-N 2.76Å; A573-R577 VanDerWaalsContact O-N 3.08Å; A573-R577 PolarHBondContact O-NE 3.09Å; A573-E596 HydrophobicContact CB-CG 3.76Å
574	A	92.8	Very high	93.2	Very high	50 Å²	50	66 Å²	66	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-45	172.1	0	0	0	0	0	111.4	P571 Q572 R577 Q578	P571-A574 WeakPolarHBondContact O-CB 3.42Å; P571-A574 PolarHBondContact O-N 3.29Å; Q572-A574 PolarHBondContact O-N 3.29Å; A574-R577 PolarHBondContact O-N 3.33Å; A574-Q578 WeakPolarHBondContact O-CB 3.21Å; A574-Q578 PolarHBondContact O-N 3.1Å
575	E	93.1	Very high	93.4	Very high	122 Å²	122	65.6 Å²	65.6	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-43.1	176.6	-62	171.3	-179.2	0	0	111.3	Q572 Q578 L579	Q572-E575 PolarHBondContact O-N 2.7Å; E575-Q578 PolarHBondContact O-N 3.18Å; E575-L579 WeakPolarHBondContact O-CB 3.48Å; E575-L579 PolarHBondContact O-N 2.9Å
576	F	94.7	Very high	93.5	Very high	26 Å²	26	70.2 Å²	70.2	11%	0.114	39%	0.385	C	S	.	.	H	α-helix	trans	-62.6	-45.4	176.5	-169.4	-87.1	0	0	0	111.7	E563 P566 Q572 Q578 L579 W580 S584 E596 V598	E563-F576 HydrophobicContact CG-CE2 4.32Å; E563-F576 HydrophobicContact CG-CZ 4.29Å; P566-F576 HydrophobicContact CG-CB 4.21Å; Q572-F576 WeakPolarHBondContact O-CB 3.19Å; Q572-F576 PolarHBondContact O-N 3.45Å; F576-Q578 VanDerWaalsContact C-N 3.32Å; F576-Q578 PolarHBondContact O-N 3.46Å; F576-L579 PolarHBondContact O-N 3.33Å; F576-W580 AromaticContact CD1-CD1 3.61Å; F576-W580 AromaticContact CD2-CD1 3.86Å; F576-W580 AromaticContact CD2-NE1 3.73Å; F576-W580 AromaticContact CE1-CD1 3.45Å; F576-W580 VanDerWaalsContact CE1-CD1 3.45Å; F576-W580 HydrophobicContact CE1-CG 4.46Å; F576-W580 AromaticContact CE1-NE1 3.94Å; F576-W580 AromaticContact CE2-CD1 3.7Å; F576-W580 AromaticContact CE2-NE1 3.34Å; F576-W580 VanDerWaalsContact CE2-NE1 3.34Å; F576-W580 AromaticContact CG-CD1 3.83Å; F576-W580 AromaticContact CZ-CD1 3.5Å; F576-W580 VanDerWaalsContact CZ-CD1 3.5Å; F576-W580 AromaticContact CZ-NE1 3.46Å; F576-W580 VanDerWaalsContact O-CD1 3.23Å; F576-W580 PolarHBondContact O-N 2.82Å; F576-S584 WeakPolarHBondContact CD1-OG 3.45Å; F576-E596 HydrophobicContact CD1-CB 3.39Å; F576-E596 HydrophobicContact CD1-CG 4.09Å; F576-E596 HydrophobicContact CE1-CB 3.65Å; F576-E596 HydrophobicContact CG-CB 4.18Å; F576-V598 HydrophobicContact CE1-CG2 3.94Å; F576-V598 HydrophobicContact CZ-CG2 3.99Å
577	R	94.9	Very high	93.5	Very high	124 Å²	124	73 Å²	73	47%	0.468	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-34.6	172.9	-81	-175.8	-79.3	118.9	3.5	113	A573 A574 G581 E596	A573-R577 WeakPolarHBondContact O-CB 3.48Å; A573-R577 WeakPolarHBondContact O-CG 3.43Å; A573-R577 PolarHBondContact O-N 2.76Å; A573-R577 VanDerWaalsContact O-N 3.08Å; A573-R577 PolarHBondContact O-NE 3.09Å; A574-R577 PolarHBondContact O-N 3.33Å; R577-G581 VanDerWaalsContact O-CA 3.27Å; R577-G581 WeakPolarHBondContact O-CA 3.35Å; R577-G581 PolarHBondContact O-N 3.21Å; R577-E596 WeakPolarHBondContact CD-OE1 3.49Å; R577-E596 VanDerWaalsContact CG-CD 3.47Å; R577-E596 HydrophobicContact CG-CG 4.42Å; R577-E596 WeakPolarHBondContact CG-OE1 3.08Å; R577-E596 WeakPolarHBondContact CG-OE2 3.16Å; R577-E596 IonicContact CZ-OE1 2.75Å; R577-E596 IonicContact NE-OE1 2.85Å; R577-E596 PolarHBondContact NE-OE1 2.96Å
578	Q	94.5	Very high	93.5	Very high	147 Å²	147	78.8 Å²	78.8	69%	0.687	41%	0.406	S	S	*	.	H	α-helix	trans	-68.9	-41.6	175.2	-177.2	176.1	-9.7	0	0	111.8	A574 E575 F576 H623	A574-Q578 WeakPolarHBondContact O-CB 3.21Å; A574-Q578 PolarHBondContact O-N 3.1Å; E575-Q578 PolarHBondContact O-N 3.18Å; F576-Q578 VanDerWaalsContact C-N 3.32Å; F576-Q578 PolarHBondContact O-N 3.46Å; Q578-H623 PolarHBondContact O-CE1 3.12Å; Q578-H623 VanDerWaalsContact O-CE1 3.26Å
579	L	95.6	Very high	93.7	Very high	18 Å²	18	78.9 Å²	78.9	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-64.5	-45.1	178.4	-179.3	62.9	0	0	0	112	L510 Q513 E575 F576 L619 H623	L510-L579 HydrophobicContact CD1-CD1 4.18Å; Q513-L579 HydrophobicContact CG-CD1 4.49Å; Q513-L579 HydrophobicContact CG-CD2 4.1Å; E575-L579 WeakPolarHBondContact O-CB 3.48Å; E575-L579 PolarHBondContact O-N 2.9Å; F576-L579 PolarHBondContact O-N 3.33Å; L579-L619 HydrophobicContact CD1-CD2 3.82Å; L579-L619 HydrophobicContact CG-CD2 4.24Å; L579-H623 PolarHBondContact O-NE2 3.18Å
580	W	96.3	Very high	93.7	Very high	6 Å²	6	81.8 Å²	81.8	2%	0.023	41%	0.408	C	S	.	.	H	α-helix	trans	-96	-18.5	-174	-61.5	117.4	0	0	0	114.8	G514 E563 F576 S582 R583 V598 W600 I615 H618 L619	G514-W580 VanDerWaalsContact O-CH2 3.26Å; G514-W580 WeakPolarHBondContact O-CH2 3.42Å; E563-W580 HydrophobicContact CG-CZ2 4.48Å; F576-W580 AromaticContact CD1-CD1 3.61Å; F576-W580 AromaticContact CD2-CD1 3.86Å; F576-W580 AromaticContact CD2-NE1 3.73Å; F576-W580 AromaticContact CE1-CD1 3.45Å; F576-W580 VanDerWaalsContact CE1-CD1 3.45Å; F576-W580 HydrophobicContact CE1-CG 4.46Å; F576-W580 AromaticContact CE1-NE1 3.94Å; F576-W580 AromaticContact CE2-CD1 3.7Å; F576-W580 AromaticContact CE2-NE1 3.34Å; F576-W580 VanDerWaalsContact CE2-NE1 3.34Å; F576-W580 AromaticContact CG-CD1 3.83Å; F576-W580 AromaticContact CZ-CD1 3.5Å; F576-W580 VanDerWaalsContact CZ-CD1 3.5Å; F576-W580 AromaticContact CZ-NE1 3.46Å; F576-W580 VanDerWaalsContact O-CD1 3.23Å; F576-W580 PolarHBondContact O-N 2.82Å; W580-S582 PolarHBondContact O-N 3.13Å; W580-R583 PolarHBondContact O-N 2.78Å; W580-V598 HydrophobicContact CB-CG2 3.8Å; W580-V598 HydrophobicContact CD2-CG2 3.86Å; W580-V598 HydrophobicContact CG-CG2 3.48Å; W580-V598 VanDerWaalsContact CG-CG2 3.48Å; W580-W600 HydrophobicContact CE3-CH2 4.26Å; W580-W600 AromaticContact CE3-CZ2 3.92Å; W580-W600 HydrophobicContact CE3-CZ2 3.92Å; W580-W600 HydrophobicContact CH2-CZ2 4.02Å; W580-W600 AromaticContact CZ3-CH2 3.92Å; W580-W600 HydrophobicContact CZ3-CH2 3.92Å; W580-W600 AromaticContact CZ3-CZ2 3.48Å; W580-W600 HydrophobicContact CZ3-CZ2 3.48Å; W580-W600 VanDerWaalsContact CZ3-CZ2 3.48Å; W580-I615 HydrophobicContact CH2-CG1 4.41Å; W580-I615 HydrophobicContact CH2-CG2 3.9Å; W580-I615 HydrophobicContact CZ3-CG2 4.15Å; W580-H618 PolarHBondContact O-NE2 2.89Å; W580-L619 HydrophobicContact CE3-CD2 4.03Å; W580-L619 HydrophobicContact CH2-CD1 4.29Å; W580-L619 HydrophobicContact CH2-CD2 4.48Å; W580-L619 HydrophobicContact CZ3-CD1 4.1Å; W580-L619 HydrophobicContact CZ3-CD2 3.8Å; W580-L619 HydrophobicContact CZ3-CG 3.97Å
581	G	95.1	Very high	93.5	Very high	27 Å²	27	85.5 Å²	85.5	28%	0.278	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	57.7	-130.3	-178.9	0	0	0	0	0	112	R577 R583 S584	R577-G581 VanDerWaalsContact O-CA 3.27Å; R577-G581 WeakPolarHBondContact O-CA 3.35Å; R577-G581 PolarHBondContact O-N 3.21Å; G581-R583 PolarHBondContact O-N 3.36Å; G581-S584 PolarHBondContact O-N 2.99Å; G581-S584 VanDerWaalsContact O-N 3.13Å
582	S	93.6	Very high	93.5	Very high	124 Å²	124	81.9 Å²	81.9	87%	0.867	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-67.7	-1.3	-178.5	55.5	0	0	0	0	115.7	W580	W580-S582 PolarHBondContact O-N 3.13Å
583	R	94.8	Very high	93.4	Very high	93 Å²	93	78.6 Å²	78.6	35%	0.351	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-90.5	-9.4	171.6	-84.1	-79.1	-172.1	164.4	-0.8	113.4	W580 G581 V598 L599 D601	W580-R583 PolarHBondContact O-N 2.78Å; G581-R583 PolarHBondContact O-N 3.36Å; R583-V598 HydrophobicContact CB-CG1 3.97Å; R583-L599 PolarHBondContact NH1-O 2.9Å; R583-D601 IonicContact CZ-OD2 3.64Å; R583-D601 IonicContact NH1-OD2 2.99Å; R583-D601 PolarHBondContact NH1-OD2 3.22Å; R583-D601 IonicContact NH2-OD2 3.38Å; R583-D601 PolarHBondContact NH2-OD2 3.33Å
584	S	95.3	Very high	93.5	Very high	24 Å²	24	82.6 Å²	82.6	17%	0.168	42%	0.421	C	S	.	.			trans	-80.2	126.4	176.2	-153.8	0	0	0	0	111.2	F576 G581 E596 A597	F576-S584 WeakPolarHBondContact CD1-OG 3.45Å; G581-S584 PolarHBondContact O-N 2.99Å; G581-S584 VanDerWaalsContact O-N 3.13Å; S584-E596 PolarHBondContact OG-OE2 3.23Å; S584-A597 WeakPolarHBondContact CA-O 3.29Å
585	E	94.7	Very high	93.6	Very high	84 Å²	84	80.6 Å²	80.6	39%	0.393	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.7	175	60.5	170.9	-155.6	0	0	111.7	R587 E596 A597	E585-R587 PolarHBondContact O-N 3.41Å; E585-R587 IonicContact OE1-CZ 3.83Å; E585-R587 IonicContact OE1-NH1 3.95Å; E585-R587 PolarHBondContact OE1-NH1 2.84Å; E585-E596 CarbonylContact O-C 3.43Å; E585-A597 PolarHBondContact N-O 2.84Å; E585-A597 PolarHBondContact O-N 2.9Å
586	L	94.3	Very high	93.7	Very high	109 Å²	109	75 Å²	75	57%	0.571	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.8	169.6	-71.9	-178	0	0	0	109.9	A568 E596	A568-L586 HydrophobicContact CB-CD2 3.58Å; L586-E596 HydrophobicContact CD2-CG 4.28Å
587	R	94.6	Very high	93.7	Very high	81 Å²	81	73.8 Å²	73.8	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.2	-173.5	-167.1	173.9	-175	120.9	-6.4	111.4	E585 F589 T595 A597	E585-R587 PolarHBondContact O-N 3.41Å; E585-R587 IonicContact OE1-CZ 3.83Å; E585-R587 IonicContact OE1-NH1 3.95Å; E585-R587 PolarHBondContact OE1-NH1 2.84Å; R587-F589 HydrophobicContact CB-CE2 4Å; R587-F589 HydrophobicContact CG-CE2 4.12Å; R587-F589 WeakPolarHBondContact O-CD2 3.36Å; R587-T595 PolarHBondContact N-O 2.66Å; R587-T595 PolarHBondContact O-N 2.85Å; R587-A597 HydrophobicContact CB-CB 3.75Å
588	R	93.2	Very high	93.8	Very high	187 Å²	187	67.9 Å²	67.9	71%	0.706	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	171.7	-162.7	175.5	-156.6	175.5	7	110.3	G592 A593 I594	R588-G592 PolarHBondContact NE-O 3.25Å; R588-A593 WeakPolarHBondContact CA-O 3.23Å; R588-I594 HydrophobicContact CB-CG1 4.3Å; R588-I594 HydrophobicContact CG-CG1 4.01Å
589	F	91.8	Very high	93.8	Very high	40 Å²	40	64.4 Å²	64.4	18%	0.175	34%	0.335	C	S	.	.			trans	-99.1	169.4	-179.7	-76	-102.1	0	0	0	111.5	L562 K564 R587 D591 G592 A593 T595 A597	L562-F589 HydrophobicContact CD2-CE1 3.66Å; L562-F589 HydrophobicContact CD2-CZ 3.94Å; L562-F589 HydrophobicContact CG-CZ 4.43Å; K564-F589 HydrophobicContact CB-CE1 4.37Å; K564-F589 HydrophobicContact CB-CZ 3.99Å; K564-F589 HydrophobicContact CD-CD1 4.12Å; K564-F589 HydrophobicContact CD-CD2 4.45Å; K564-F589 HydrophobicContact CD-CE1 3.77Å; K564-F589 HydrophobicContact CD-CE2 4.15Å; K564-F589 HydrophobicContact CD-CG 4.45Å; K564-F589 HydrophobicContact CD-CZ 3.79Å; K564-F589 HydrophobicContact CG-CE1 4.08Å; K564-F589 HydrophobicContact CG-CE2 3.96Å; K564-F589 HydrophobicContact CG-CZ 3.61Å; R587-F589 HydrophobicContact CB-CE2 4Å; R587-F589 HydrophobicContact CG-CE2 4.12Å; R587-F589 WeakPolarHBondContact O-CD2 3.36Å; F589-D591 WeakPolarHBondContact CB-OD1 3.48Å; F589-D591 PolarHBondContact O-N 3.25Å; F589-G592 WeakPolarHBondContact O-CA 3.39Å; F589-G592 PolarHBondContact O-N 2.8Å; F589-A593 PolarHBondContact N-O 3.17Å; F589-T595 VanDerWaalsContact CE2-OG1 3.25Å; F589-T595 WeakPolarHBondContact CE2-OG1 3.3Å; F589-A597 HydrophobicContact CE2-CB 4.45Å; F589-A597 HydrophobicContact CZ-CB 4.43Å
590	Q	90.3	Very high	93.8	Very high	210 Å²	210	63.9 Å²	63.9	98%	0.981	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.2	-179.1	-68.7	-177.9	-9.1	0	0	113.3	G592	Q590-G592 PolarHBondContact O-N 3.34Å
591	D	90.2	Very high	93.7	Very high	104 Å²	104	68.2 Å²	68.2	56%	0.556	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.6	168.1	56.7	17.6	0	0	0	112.9	K564 F589 A593	K564-D591 IonicContact NZ-OD2 3.14Å; K564-D591 PolarHBondContact NZ-OD2 2.64Å; F589-D591 WeakPolarHBondContact CB-OD1 3.48Å; F589-D591 PolarHBondContact O-N 3.25Å; D591-A593 PolarHBondContact O-N 3Å; D591-A593 VanDerWaalsContact OD1-CB 3.23Å; D591-A593 WeakPolarHBondContact OD1-CB 3.45Å; D591-A593 PolarHBondContact OD1-N 3.47Å
592	G	89.3	Confident	93.5	Very high	34 Å²	34	67.6 Å²	67.6	35%	0.351	35%	0.349	S	S	.	.	S	Bend	trans	84.1	-11.6	-177.2	0	0	0	0	0	114.4	R588 F589 Q590	R588-G592 PolarHBondContact NE-O 3.25Å; F589-G592 WeakPolarHBondContact O-CA 3.39Å; F589-G592 PolarHBondContact O-N 2.8Å; Q590-G592 PolarHBondContact O-N 3.34Å
593	A	90.3	Very high	93.4	Very high	40 Å²	40	69.2 Å²	69.2	33%	0.331	34%	0.341	S	S	.	.			trans	-68.2	150.4	-177.2	0	0	0	0	0	111.8	R588 F589 D591	R588-A593 WeakPolarHBondContact CA-O 3.23Å; F589-A593 PolarHBondContact N-O 3.17Å; D591-A593 PolarHBondContact O-N 3Å; D591-A593 VanDerWaalsContact OD1-CB 3.23Å; D591-A593 WeakPolarHBondContact OD1-CB 3.45Å; D591-A593 PolarHBondContact OD1-N 3.47Å
594	I	93.7	Very high	93.2	Very high	85 Å²	85	65 Å²	65	44%	0.436	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.5	175.3	-57.4	174.1	0	0	0	107.1	A568 R588	A568-I594 HydrophobicContact CB-CG2 4.26Å; A568-I594 PolarHBondContact N-O 3.2Å; R588-I594 HydrophobicContact CB-CG1 4.3Å; R588-I594 HydrophobicContact CG-CG1 4.01Å
595	T	95	Very high	93	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.043	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	163.8	178.3	70.1	0	0	0	0	109.6	K564 G565 P566 R587 F589	K564-T595 HydrophobicContact CG-CG2 4.48Å; G565-T595 WeakPolarHBondContact O-CB 3.32Å; P566-T595 WeakPolarHBondContact O-CA 3.45Å; P566-T595 VanDerWaalsContact O-CB 3.27Å; P566-T595 WeakPolarHBondContact O-CB 3.35Å; R587-T595 PolarHBondContact N-O 2.66Å; R587-T595 PolarHBondContact O-N 2.85Å; F589-T595 VanDerWaalsContact CE2-OG1 3.25Å; F589-T595 WeakPolarHBondContact CE2-OG1 3.3Å
596	E	95.5	Very high	92.7	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.028	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	152.2	155.3	-63.4	-73.4	167	0	0	109.3	G565 P566 A573 F576 R577 S584 E585 L586	G565-E596 VanDerWaalsContact CA-O 3.28Å; G565-E596 WeakPolarHBondContact CA-O 3.4Å; G565-E596 PolarHBondContact N-O 3.39Å; P566-E596 PolarHBondContact O-N 2.83Å; A573-E596 HydrophobicContact CB-CG 3.76Å; F576-E596 HydrophobicContact CD1-CB 3.39Å; F576-E596 HydrophobicContact CD1-CG 4.09Å; F576-E596 HydrophobicContact CE1-CB 3.65Å; F576-E596 HydrophobicContact CG-CB 4.18Å; R577-E596 WeakPolarHBondContact CD-OE1 3.49Å; R577-E596 VanDerWaalsContact CG-CD 3.47Å; R577-E596 HydrophobicContact CG-CG 4.42Å; R577-E596 WeakPolarHBondContact CG-OE1 3.08Å; R577-E596 WeakPolarHBondContact CG-OE2 3.16Å; R577-E596 IonicContact CZ-OE1 2.75Å; R577-E596 IonicContact NE-OE1 2.85Å; R577-E596 PolarHBondContact NE-OE1 2.96Å; S584-E596 PolarHBondContact OG-OE2 3.23Å; E585-E596 CarbonylContact O-C 3.43Å; L586-E596 HydrophobicContact CD2-CG 4.28Å
597	A	95.1	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162	175.5	0	0	0	0	0	111.3	L562 E563 S584 E585 R587 F589	L562-A597 HydrophobicContact CD1-CB 4.15Å; E563-A597 CarbonylContact O-C 3.52Å; E563-A597 WeakPolarHBondContact O-CA 3.37Å; E563-A597 WeakPolarHBondContact O-CB 3.4Å; S584-A597 WeakPolarHBondContact CA-O 3.29Å; E585-A597 PolarHBondContact N-O 2.84Å; E585-A597 PolarHBondContact O-N 2.9Å; R587-A597 HydrophobicContact CB-CB 3.75Å; F589-A597 HydrophobicContact CE2-CB 4.45Å; F589-A597 HydrophobicContact CZ-CB 4.43Å
598	V	96.2	Very high	92.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.2	167.7	-179.2	0	0	0	0	109.7	E563 F576 W580 R583 W600	E563-V598 HydrophobicContact CB-CB 4.01Å; E563-V598 PolarHBondContact N-O 3.07Å; E563-V598 PolarHBondContact O-N 2.73Å; F576-V598 HydrophobicContact CE1-CG2 3.94Å; F576-V598 HydrophobicContact CZ-CG2 3.99Å; W580-V598 HydrophobicContact CB-CG2 3.8Å; W580-V598 HydrophobicContact CD2-CG2 3.86Å; W580-V598 HydrophobicContact CG-CG2 3.48Å; W580-V598 VanDerWaalsContact CG-CG2 3.48Å; R583-V598 HydrophobicContact CB-CG1 3.97Å; V598-W600 HydrophobicContact CG1-CD2 4.23Å; V598-W600 HydrophobicContact CG1-CH2 4.32Å; V598-W600 HydrophobicContact CG1-CZ2 3.62Å
599	L	95.6	Very high	92.4	Very high	73 Å²	73	52.9 Å²	52.9	38%	0.382	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.6	173.2	-170.3	68.5	0	0	0	111	V561 L562 R583	V561-L599 HydrophobicContact CG2-CD1 4.4Å; L562-L599 HydrophobicContact CD1-CD1 4.32Å; R583-L599 PolarHBondContact NH1-O 2.9Å
600	W	95.5	Very high	92.5	Very high	8 Å²	8	53.2 Å²	53.2	3%	0.03	28%	0.277	C	S	.	.			trans	-106.1	157.5	176.8	-59.6	104.5	0	0	0	111.6	V561 W580 V598 V611 Q614 I615 H618	V561-W600 PolarHBondContact O-N 3.2Å; W580-W600 HydrophobicContact CE3-CH2 4.26Å; W580-W600 AromaticContact CE3-CZ2 3.92Å; W580-W600 HydrophobicContact CE3-CZ2 3.92Å; W580-W600 HydrophobicContact CH2-CZ2 4.02Å; W580-W600 AromaticContact CZ3-CH2 3.92Å; W580-W600 HydrophobicContact CZ3-CH2 3.92Å; W580-W600 AromaticContact CZ3-CZ2 3.48Å; W580-W600 HydrophobicContact CZ3-CZ2 3.48Å; W580-W600 VanDerWaalsContact CZ3-CZ2 3.48Å; V598-W600 HydrophobicContact CG1-CD2 4.23Å; V598-W600 HydrophobicContact CG1-CH2 4.32Å; V598-W600 HydrophobicContact CG1-CZ2 3.62Å; W600-V611 HydrophobicContact CB-CB 4.49Å; W600-V611 HydrophobicContact CB-CG1 3.88Å; W600-V611 HydrophobicContact CB-CG2 3.91Å; W600-V611 HydrophobicContact CD2-CG1 4.41Å; W600-V611 HydrophobicContact CG-CG1 3.73Å; W600-Q614 HydrophobicContact CD2-CB 4.46Å; W600-Q614 HydrophobicContact CE3-CB 3.55Å; W600-Q614 HydrophobicContact CZ3-CB 3.83Å; W600-I615 HydrophobicContact CD2-CG1 4.13Å; W600-I615 HydrophobicContact CH2-CG1 3.99Å; W600-I615 HydrophobicContact CZ2-CB 4.38Å; W600-I615 HydrophobicContact CZ2-CG1 3.48Å; W600-I615 VanDerWaalsContact CZ2-CG1 3.48Å; W600-I615 HydrophobicContact CZ3-CG1 4.49Å; W600-H618 HydrophobicContact CH2-CB 3.99Å; W600-H618 HydrophobicContact CZ3-CB 4.18Å
601	D	92.8	Very high	92.7	Very high	96 Å²	96	43.2 Å²	43.2	51%	0.513	23%	0.231	S	C	.	.			trans	-83.8	119.5	-175.7	-64.3	-76.8	0	0	0	110.1	R583 Q614	R583-D601 IonicContact CZ-OD2 3.64Å; R583-D601 IonicContact NH1-OD2 2.99Å; R583-D601 PolarHBondContact NH1-OD2 3.22Å; R583-D601 IonicContact NH2-OD2 3.38Å; R583-D601 PolarHBondContact NH2-OD2 3.33Å; D601-Q614 PolarHBondContact O-NE2 3.06Å
602	G	91.7	Very high	92.9	Very high	14 Å²	14	38.4 Å²	38.4	14%	0.144	21%	0.205	C	C	.	.			trans	-172.1	71.2	-172.6	0	0	0	0	0	115.5	R608	G602-R608 VanDerWaalsContact O-CG 3.3Å; G602-R608 WeakPolarHBondContact O-CG 3.39Å; G602-R608 PolarHBondContact O-NE 3.28Å
603	K	90.7	Very high	93.2	Very high	159 Å²	159	39.3 Å²	39.3	69%	0.691	20%	0.199	S	C	*	.	S	Bend	trans	-71.6	-55.3	179.6	-64	-177.9	-179.6	178.4	0	111.6	R608 V648	K603-R608 PolarHBondContact O-NH2 3.34Å; K603-V648 HydrophobicContact CB-CG1 4.04Å; K603-V648 HydrophobicContact CD-CG2 4.17Å
604	S	91.4	Very high	93.5	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	19%	0.192	C	C	.	.	S	Bend	trans	-94.3	162.2	177.9	51.1	0	0	0	0	112.8	S606 Q607 R608 P649 E654	S604-S606 VanDerWaalsContact C-N 3.29Å; S604-S606 PolarHBondContact O-N 2.85Å; S604-S606 PolarHBondContact OG-OG 3.36Å; S604-S606 VanDerWaalsContact OG-OG 3.13Å; S604-Q607 PolarHBondContact O-N 2.8Å; S604-Q607 VanDerWaalsContact O-N 3.12Å; S604-Q607 WeakPolarHBondContact OG-CG 3.25Å; S604-R608 WeakPolarHBondContact O-CG 3.33Å; S604-R608 PolarHBondContact O-N 3.29Å; S604-P649 WeakPolarHBondContact CB-O 3.21Å; S604-P649 PolarHBondContact OG-O 2.89Å; S604-E654 WeakPolarHBondContact CA-OE1 3.48Å; S604-E654 WeakPolarHBondContact CB-OE2 3.47Å
605	A	90.4	Very high	93.6	Very high	20 Å²	20	35.2 Å²	35.2	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-41.7	176.9	0	0	0	0	0	113.2	R608 R609 E653 E654	A605-R608 PolarHBondContact O-N 3.42Å; A605-R609 PolarHBondContact O-N 3.09Å; A605-E653 HydrophobicContact CB-CB 3.97Å; A605-E653 HydrophobicContact CB-CG 4.12Å; A605-E654 PolarHBondContact N-OE1 3.46Å; A605-E654 PolarHBondContact N-OE2 2.75Å
606	S	90.1	Very high	93.7	Very high	16 Å²	16	35 Å²	35	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-44.2	175.4	58.2	0	0	0	0	112.6	S604 R609 P649	S604-S606 VanDerWaalsContact C-N 3.29Å; S604-S606 PolarHBondContact O-N 2.85Å; S604-S606 PolarHBondContact OG-OG 3.36Å; S604-S606 VanDerWaalsContact OG-OG 3.13Å; S606-R609 PolarHBondContact O-N 3.34Å; S606-P649 PolarHBondContact OG-O 2.81Å
607	Q	91.1	Very high	93.7	Very high	55 Å²	55	35.4 Å²	35.4	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-67.1	-36.8	175.3	-66.6	178.5	-7.9	0	0	111.9	S604 R609 L610	S604-Q607 PolarHBondContact O-N 2.8Å; S604-Q607 VanDerWaalsContact O-N 3.12Å; S604-Q607 WeakPolarHBondContact OG-CG 3.25Å; Q607-R609 VanDerWaalsContact C-N 3.33Å; Q607-R609 PolarHBondContact O-N 2.86Å; Q607-L610 WeakPolarHBondContact O-CA 3.43Å; Q607-L610 WeakPolarHBondContact O-CB 3.17Å; Q607-L610 PolarHBondContact O-N 2.9Å
608	R	92.8	Very high	93.8	Very high	101 Å²	101	37.2 Å²	37.2	38%	0.381	18%	0.181	S	C	.	.	H	α-helix	trans	-65.3	-34.3	176.4	-66.9	-178.6	-157	156.5	15.5	112.6	A559 V561 G602 K603 S604 A605 L610 V611	A559-R608 HydrophobicContact CB-CB 4.14Å; V561-R608 HydrophobicContact CG1-CG 3.79Å; G602-R608 VanDerWaalsContact O-CG 3.3Å; G602-R608 WeakPolarHBondContact O-CG 3.39Å; G602-R608 PolarHBondContact O-NE 3.28Å; K603-R608 PolarHBondContact O-NH2 3.34Å; S604-R608 WeakPolarHBondContact O-CG 3.33Å; S604-R608 PolarHBondContact O-N 3.29Å; A605-R608 PolarHBondContact O-N 3.42Å; R608-L610 PolarHBondContact O-N 2.85Å; R608-V611 WeakPolarHBondContact O-CB 3.44Å; R608-V611 WeakPolarHBondContact O-CG2 3.26Å; R608-V611 PolarHBondContact O-N 2.71Å; R608-V611 VanDerWaalsContact O-N 3.11Å
609	R	91.3	Very high	93.9	Very high	38 Å²	38	37.2 Å²	37.2	14%	0.143	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-17.9	170	-69.1	-165.7	-60.6	-86.5	6.7	113.8	A605 S606 Q607 P612 D639 T651 E653	A605-R609 PolarHBondContact O-N 3.09Å; S606-R609 PolarHBondContact O-N 3.34Å; Q607-R609 VanDerWaalsContact C-N 3.33Å; Q607-R609 PolarHBondContact O-N 2.86Å; R609-P612 WeakPolarHBondContact O-CD 3.35Å; R609-D639 IonicContact CZ-OD2 3.99Å; R609-D639 IonicContact NE-OD2 2.75Å; R609-D639 IonicContact NH2-OD2 2.86Å; R609-D639 PolarHBondContact NH2-OD2 3.14Å; R609-T651 PolarHBondContact NH1-OG1 3.32Å; R609-T651 PolarHBondContact NH2-OG1 2.83Å; R609-E653 IonicContact CZ-OE1 3.38Å; R609-E653 IonicContact NH1-OE1 3.71Å; R609-E653 PolarHBondContact NH1-OE1 3.07Å
610	L	92.8	Very high	93.9	Very high	48 Å²	48	33.8 Å²	33.8	25%	0.251	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1	174.5	-67	172.9	0	0	0	114.1	Q607 R608 K613 Q614 F633 T636	Q607-L610 WeakPolarHBondContact O-CA 3.43Å; Q607-L610 WeakPolarHBondContact O-CB 3.17Å; Q607-L610 PolarHBondContact O-N 2.9Å; R608-L610 PolarHBondContact O-N 2.85Å; L610-K613 HydrophobicContact CD2-CB 4.34Å; L610-K613 HydrophobicContact CD2-CD 4.37Å; L610-K613 WeakPolarHBondContact O-CB 3.4Å; L610-K613 PolarHBondContact O-N 3.47Å; L610-Q614 PolarHBondContact O-N 2.75Å; L610-F633 HydrophobicContact CD2-CD1 3.99Å; L610-F633 HydrophobicContact CD2-CE1 3.7Å; L610-F633 HydrophobicContact CD2-CZ 4.43Å; L610-T636 HydrophobicContact CD2-CG2 3.73Å; L610-T636 HydrophobicContact CG-CG2 4.27Å
611	V	95	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-42.6	174.2	172.4	0	0	0	0	112.3	V561 W600 R608 K613 Q614 I615	V561-V611 HydrophobicContact CG1-CG2 4.36Å; W600-V611 HydrophobicContact CB-CB 4.49Å; W600-V611 HydrophobicContact CB-CG1 3.88Å; W600-V611 HydrophobicContact CB-CG2 3.91Å; W600-V611 HydrophobicContact CD2-CG1 4.41Å; W600-V611 HydrophobicContact CG-CG1 3.73Å; R608-V611 WeakPolarHBondContact O-CB 3.44Å; R608-V611 WeakPolarHBondContact O-CG2 3.26Å; R608-V611 PolarHBondContact O-N 2.71Å; R608-V611 VanDerWaalsContact O-N 3.11Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 2.75Å; V611-Q614 WeakPolarHBondContact O-CB 3.49Å; V611-Q614 PolarHBondContact O-N 3.24Å; V611-Q614 VanDerWaalsContact O-N 3.08Å; V611-I615 HydrophobicContact CG1-CD1 3.81Å; V611-I615 HydrophobicContact CG1-CG1 4.34Å; V611-I615 WeakPolarHBondContact O-CG1 3.3Å; V611-I615 PolarHBondContact O-N 2.91Å
612	P	95.1	Very high	94	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-37.7	170.7	-27.5	36.5	0	0	0	113.9	L515 L551 L553 R609 I615 V616	L515-P612 HydrophobicContact CD2-CB 4.32Å; L551-P612 HydrophobicContact CD1-CB 4.26Å; L553-P612 HydrophobicContact CD2-CG 4.21Å; R609-P612 WeakPolarHBondContact O-CD 3.35Å; P612-I615 PolarHBondContact O-N 2.85Å; P612-V616 WeakPolarHBondContact O-CB 3.28Å; P612-V616 WeakPolarHBondContact O-CG2 3.12Å; P612-V616 PolarHBondContact O-N 2.95Å
613	K	95.1	Very high	94.2	Very high	53 Å²	53	37.5 Å²	37.5	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-45.4	173.6	-174.9	-161.5	167	-155.4	0	110.9	L610 V611 V616 T617 E628 F633	L610-K613 HydrophobicContact CD2-CB 4.34Å; L610-K613 HydrophobicContact CD2-CD 4.37Å; L610-K613 WeakPolarHBondContact O-CB 3.4Å; L610-K613 PolarHBondContact O-N 3.47Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 2.75Å; K613-V616 PolarHBondContact O-N 3.15Å; K613-T617 VanDerWaalsContact O-CB 3.28Å; K613-T617 WeakPolarHBondContact O-CB 3.37Å; K613-T617 PolarHBondContact O-N 3.01Å; K613-T617 PolarHBondContact O-OG1 2.91Å; K613-E628 VanDerWaalsContact CE-OE1 3.3Å; K613-E628 WeakPolarHBondContact CE-OE1 3.4Å; K613-E628 IonicContact NZ-OE1 2.84Å; K613-E628 PolarHBondContact NZ-OE1 3.45Å; K613-F633 HydrophobicContact CB-CD1 4.41Å; K613-F633 HydrophobicContact CB-CD2 3.67Å; K613-F633 HydrophobicContact CB-CE2 3.81Å; K613-F633 HydrophobicContact CB-CG 3.99Å; K613-F633 HydrophobicContact CB-CZ 4.24Å; K613-F633 HydrophobicContact CD-CB 3.85Å; K613-F633 HydrophobicContact CD-CD1 4.37Å; K613-F633 HydrophobicContact CD-CD2 4.46Å; K613-F633 HydrophobicContact CD-CG 3.98Å; K613-F633 HydrophobicContact CG-CB 3.85Å; K613-F633 HydrophobicContact CG-CD1 4.43Å; K613-F633 HydrophobicContact CG-CD2 3.72Å; K613-F633 HydrophobicContact CG-CE2 4.38Å; K613-F633 HydrophobicContact CG-CG 3.74Å
614	Q	95.8	Very high	94.3	Very high	40 Å²	40	29.9 Å²	29.9	19%	0.187	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-179.9	-64	169.2	49.8	0	0	111.4	W600 D601 L610 V611 T617 H618	W600-Q614 HydrophobicContact CD2-CB 4.46Å; W600-Q614 HydrophobicContact CE3-CB 3.55Å; W600-Q614 HydrophobicContact CZ3-CB 3.83Å; D601-Q614 PolarHBondContact O-NE2 3.06Å; L610-Q614 PolarHBondContact O-N 2.75Å; V611-Q614 WeakPolarHBondContact O-CB 3.49Å; V611-Q614 PolarHBondContact O-N 3.24Å; V611-Q614 VanDerWaalsContact O-N 3.08Å; Q614-T617 PolarHBondContact O-N 2.79Å; Q614-H618 VanDerWaalsContact O-CB 3.25Å; Q614-H618 WeakPolarHBondContact O-CB 3.29Å; Q614-H618 PolarHBondContact O-N 3Å
615	I	96.4	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-54.9	175.4	-68.9	164	0	0	0	110.7	L515 W580 W600 V611 P612 T617 H618 L619	L515-I615 HydrophobicContact CD2-CB 4.08Å; L515-I615 HydrophobicContact CD2-CD1 4.26Å; L515-I615 HydrophobicContact CD2-CG2 3.68Å; L515-I615 HydrophobicContact CG-CG2 4.14Å; W580-I615 HydrophobicContact CH2-CG1 4.41Å; W580-I615 HydrophobicContact CH2-CG2 3.9Å; W580-I615 HydrophobicContact CZ3-CG2 4.15Å; W600-I615 HydrophobicContact CD2-CG1 4.13Å; W600-I615 HydrophobicContact CH2-CG1 3.99Å; W600-I615 HydrophobicContact CZ2-CB 4.38Å; W600-I615 HydrophobicContact CZ2-CG1 3.48Å; W600-I615 VanDerWaalsContact CZ2-CG1 3.48Å; W600-I615 HydrophobicContact CZ3-CG1 4.49Å; V611-I615 HydrophobicContact CG1-CD1 3.81Å; V611-I615 HydrophobicContact CG1-CG1 4.34Å; V611-I615 WeakPolarHBondContact O-CG1 3.3Å; V611-I615 PolarHBondContact O-N 2.91Å; P612-I615 PolarHBondContact O-N 2.85Å; I615-T617 PolarHBondContact O-N 3.29Å; I615-H618 PolarHBondContact O-N 2.82Å; I615-L619 HydrophobicContact CG2-CD1 3.59Å; I615-L619 HydrophobicContact CG2-CG 4.45Å; I615-L619 WeakPolarHBondContact O-CB 3.38Å; I615-L619 VanDerWaalsContact O-CG 3.29Å; I615-L619 WeakPolarHBondContact O-CG 3.39Å; I615-L619 PolarHBondContact O-N 2.81Å
616	V	96.9	Very high	94.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-54.6	-51.2	178.6	168.5	0	0	0	0	110.7	F471 L511 L515 P612 K613 H618 L619 L620 V631	F471-V616 HydrophobicContact CD1-CG1 4.21Å; F471-V616 HydrophobicContact CD1-CG2 4.34Å; F471-V616 HydrophobicContact CD2-CG1 4.03Å; F471-V616 HydrophobicContact CE1-CG1 3.85Å; F471-V616 HydrophobicContact CE1-CG2 3.8Å; F471-V616 HydrophobicContact CE2-CG1 3.66Å; F471-V616 HydrophobicContact CG-CG1 4.29Å; F471-V616 HydrophobicContact CZ-CG1 3.56Å; F471-V616 HydrophobicContact CZ-CG2 4.17Å; L511-V616 HydrophobicContact CD2-CB 4.35Å; L511-V616 HydrophobicContact CD2-CG1 4.2Å; L511-V616 HydrophobicContact CD2-CG2 4Å; L515-V616 HydrophobicContact CD1-CG2 4.28Å; P612-V616 WeakPolarHBondContact O-CB 3.28Å; P612-V616 WeakPolarHBondContact O-CG2 3.12Å; P612-V616 PolarHBondContact O-N 2.95Å; K613-V616 PolarHBondContact O-N 3.15Å; V616-H618 PolarHBondContact O-N 2.93Å; V616-L619 PolarHBondContact O-N 3.16Å; V616-L620 HydrophobicContact CG1-CD1 3.64Å; V616-L620 HydrophobicContact CG1-CG 4.35Å; V616-L620 VanDerWaalsContact O-CB 3.32Å; V616-L620 WeakPolarHBondContact O-CB 3.43Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 3.04Å; V616-V631 HydrophobicContact CG1-CG1 4.28Å
617	T	96.6	Very high	94.5	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-44.4	-177	-57.5	0	0	0	0	112	K613 Q614 I615 Q621 E628	K613-T617 VanDerWaalsContact O-CB 3.28Å; K613-T617 WeakPolarHBondContact O-CB 3.37Å; K613-T617 PolarHBondContact O-N 3.01Å; K613-T617 PolarHBondContact O-OG1 2.91Å; Q614-T617 PolarHBondContact O-N 2.79Å; I615-T617 PolarHBondContact O-N 3.29Å; T617-Q621 WeakPolarHBondContact O-CB 3.4Å; T617-Q621 PolarHBondContact O-N 3.21Å; T617-E628 HydrophobicContact CG2-CB 3.52Å; T617-E628 HydrophobicContact CG2-CG 3.6Å
618	H	97	Very high	94.6	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.176	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-48.2	179.4	-179.7	74.1	0	0	0	111.8	W580 W600 Q614 I615 V616 Q621 L622	W580-H618 PolarHBondContact O-NE2 2.89Å; W600-H618 HydrophobicContact CH2-CB 3.99Å; W600-H618 HydrophobicContact CZ3-CB 4.18Å; Q614-H618 VanDerWaalsContact O-CB 3.25Å; Q614-H618 WeakPolarHBondContact O-CB 3.29Å; Q614-H618 PolarHBondContact O-N 3Å; I615-H618 PolarHBondContact O-N 2.82Å; V616-H618 PolarHBondContact O-N 2.93Å; H618-Q621 PolarHBondContact O-N 3.33Å; H618-L622 WeakPolarHBondContact O-CB 3.35Å; H618-L622 PolarHBondContact O-N 2.99Å
619	L	97	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-43.1	-178.9	-66.8	167.8	0	0	0	112.1	L510 L579 W580 I615 V616 Q621 L622 H623	L510-L619 HydrophobicContact CD1-CB 4.33Å; L510-L619 HydrophobicContact CD1-CD2 4.24Å; L510-L619 HydrophobicContact CD2-CB 4.34Å; L510-L619 HydrophobicContact CG-CB 4.26Å; L579-L619 HydrophobicContact CD1-CD2 3.82Å; L579-L619 HydrophobicContact CG-CD2 4.24Å; W580-L619 HydrophobicContact CE3-CD2 4.03Å; W580-L619 HydrophobicContact CH2-CD1 4.29Å; W580-L619 HydrophobicContact CH2-CD2 4.48Å; W580-L619 HydrophobicContact CZ3-CD1 4.1Å; W580-L619 HydrophobicContact CZ3-CD2 3.8Å; W580-L619 HydrophobicContact CZ3-CG 3.97Å; I615-L619 HydrophobicContact CG2-CD1 3.59Å; I615-L619 HydrophobicContact CG2-CG 4.45Å; I615-L619 WeakPolarHBondContact O-CB 3.38Å; I615-L619 VanDerWaalsContact O-CG 3.29Å; I615-L619 WeakPolarHBondContact O-CG 3.39Å; I615-L619 PolarHBondContact O-N 2.81Å; V616-L619 PolarHBondContact O-N 3.16Å; L619-Q621 VanDerWaalsContact C-N 3.35Å; L619-Q621 PolarHBondContact O-N 2.92Å; L619-L622 PolarHBondContact O-N 2.94Å; L619-H623 WeakPolarHBondContact O-CB 3.36Å; L619-H623 PolarHBondContact O-N 3.39Å
620	L	96.2	Very high	94.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	I	π-helix	trans	-64.6	-38	177.6	-68.7	179	0	0	0	111.9	F471 L473 L507 L511 V616 A624 G625 I626 V631	F471-L620 HydrophobicContact CE2-CD1 4.33Å; L473-L620 HydrophobicContact CD2-CD1 3.98Å; L507-L620 HydrophobicContact CD2-CD2 3.69Å; L511-L620 HydrophobicContact CD2-CD2 4.5Å; V616-L620 HydrophobicContact CG1-CD1 3.64Å; V616-L620 HydrophobicContact CG1-CG 4.35Å; V616-L620 VanDerWaalsContact O-CB 3.32Å; V616-L620 WeakPolarHBondContact O-CB 3.43Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 3.04Å; L620-A624 HydrophobicContact CD2-CB 4.43Å; L620-A624 CarbonylContact O-C 3.48Å; L620-A624 WeakPolarHBondContact O-CA 3.28Å; L620-A624 VanDerWaalsContact O-CB 3.27Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.18Å; L620-A624 VanDerWaalsContact O-N 3.13Å; L620-G625 PolarHBondContact O-N 2.79Å; L620-I626 CarbonylContact C-O 3.48Å; L620-I626 HydrophobicContact CB-CB 4.27Å; L620-I626 HydrophobicContact CD2-CD1 4.35Å; L620-I626 PolarHBondContact O-N 3.35Å; L620-V631 HydrophobicContact CD1-CG2 3.98Å
621	Q	95.6	Very high	94.5	Very high	101 Å²	101	30.3 Å²	30.3	47%	0.472	17%	0.166	S	C	.	.	I	π-helix	trans	-69.9	-50.8	173.5	176.2	61.4	5.4	0	0	111.6	T617 H618 L619 G625 I626 P627	T617-Q621 WeakPolarHBondContact O-CB 3.4Å; T617-Q621 PolarHBondContact O-N 3.21Å; H618-Q621 PolarHBondContact O-N 3.33Å; L619-Q621 VanDerWaalsContact C-N 3.35Å; L619-Q621 PolarHBondContact O-N 2.92Å; Q621-G625 WeakPolarHBondContact O-CA 3.28Å; Q621-G625 PolarHBondContact O-N 3.3Å; Q621-I626 WeakPolarHBondContact CA-O 3.36Å; Q621-I626 PolarHBondContact N-O 3.09Å; Q621-I626 PolarHBondContact OE1-O 2.94Å; Q621-P627 VanDerWaalsContact OE1-CA 3.29Å
622	L	95.7	Very high	94.4	Very high	58 Å²	58	31.6 Å²	31.6	30%	0.304	17%	0.171	S	C	.	.	I	π-helix	trans	-63.7	-46.2	-174.8	178.9	58.6	0	0	0	112.5	K485 H618 L619	K485-L622 PolarHBondContact NZ-O 2.84Å; H618-L622 WeakPolarHBondContact O-CB 3.35Å; H618-L622 PolarHBondContact O-N 2.99Å; L619-L622 PolarHBondContact O-N 2.94Å
623	H	94.8	Very high	94.2	Very high	36 Å²	36	32.4 Å²	32.4	17%	0.167	18%	0.175	C	C	.	.	I	π-helix	trans	-102.5	-47.7	-172.8	-64.8	-69.2	0	0	0	113	K485 Q486 F506 L510 Q578 L579 L619	K485-H623 WeakPolarHBondContact CD-O 3.39Å; K485-H623 WeakPolarHBondContact CE-O 3.36Å; K485-H623 PolarHBondContact NZ-O 3.16Å; K485-H623 VanDerWaalsContact NZ-O 3.14Å; Q486-H623 PolarHBondContact NE2-O 2.96Å; F506-H623 HydrophobicContact CZ-CB 4.18Å; L510-H623 HydrophobicContact CD1-CB 4.06Å; L510-H623 HydrophobicContact CD2-CB 3.77Å; Q578-H623 PolarHBondContact O-CE1 3.12Å; Q578-H623 VanDerWaalsContact O-CE1 3.26Å; L579-H623 PolarHBondContact O-NE2 3.18Å; L619-H623 WeakPolarHBondContact O-CB 3.36Å; L619-H623 PolarHBondContact O-N 3.39Å
624	A	92.7	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-82.1	-22.8	-178.9	0	0	0	0	0	114	T482 F506 L507 L620 I626	T482-A624 WeakPolarHBondContact CB-O 3.49Å; T482-A624 HydrophobicContact CG2-CB 3.82Å; T482-A624 PolarHBondContact OG1-O 2.83Å; F506-A624 HydrophobicContact CE1-CB 4.15Å; L507-A624 HydrophobicContact CD2-CB 3.69Å; L620-A624 HydrophobicContact CD2-CB 4.43Å; L620-A624 CarbonylContact O-C 3.48Å; L620-A624 WeakPolarHBondContact O-CA 3.28Å; L620-A624 VanDerWaalsContact O-CB 3.27Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.18Å; L620-A624 VanDerWaalsContact O-N 3.13Å; A624-I626 HydrophobicContact CB-CD1 3.63Å; A624-I626 HydrophobicContact CB-CG1 3.86Å
625	G	92.3	Very high	92.6	Very high	25 Å²	25	28 Å²	28	26%	0.258	16%	0.155	S	C	.	.			trans	77.8	24.5	-174.4	0	0	0	0	0	113.8	L620 Q621	L620-G625 PolarHBondContact O-N 2.79Å; Q621-G625 WeakPolarHBondContact O-CA 3.28Å; Q621-G625 PolarHBondContact O-N 3.3Å
626	I	93.2	Very high	91.7	Very high	5 Å²	5	30 Å²	30	3%	0.026	17%	0.167	C	C	.	.			trans	-100.5	114.4	-177.6	-58	167.6	0	0	0	108.5	L473 L479 L507 L620 Q621 A624 C630 V631	L473-I626 HydrophobicContact CD1-CD1 4.42Å; L479-I626 HydrophobicContact CD2-CD1 3.48Å; L479-I626 VanDerWaalsContact CD2-CD1 3.48Å; L479-I626 HydrophobicContact CD2-CG1 4.25Å; L507-I626 HydrophobicContact CD2-CD1 4.28Å; L620-I626 CarbonylContact C-O 3.48Å; L620-I626 HydrophobicContact CB-CB 4.27Å; L620-I626 HydrophobicContact CD2-CD1 4.35Å; L620-I626 PolarHBondContact O-N 3.35Å; Q621-I626 WeakPolarHBondContact CA-O 3.36Å; Q621-I626 PolarHBondContact N-O 3.09Å; Q621-I626 PolarHBondContact OE1-O 2.94Å; A624-I626 HydrophobicContact CB-CD1 3.63Å; A624-I626 HydrophobicContact CB-CG1 3.86Å; I626-C630 HydrophobicContact CG2-CB 3.79Å; I626-V631 HydrophobicContact CG2-CG2 4.43Å
627	P	92.3	Very high	91	Very high	39 Å²	39	31.6 Å²	31.6	25%	0.253	18%	0.175	S	C	.	.			trans	-76.2	156.9	-177.5	31	-34.7	0	0	0	112.2	K478 Q621 S629 C630	K478-P627 HydrophobicContact CD-CG 4.46Å; Q621-P627 VanDerWaalsContact OE1-CA 3.29Å; P627-S629 PolarHBondContact O-N 2.96Å; P627-C630 WeakPolarHBondContact O-CB 3.48Å; P627-C630 PolarHBondContact O-N 3Å
628	E	92.1	Very high	90.5	Very high	102 Å²	102	31 Å²	31	48%	0.477	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-52.2	-33.7	-179.2	-172.8	172.3	179.4	0	0	113.5	K613 T617 C630 V631	K613-E628 VanDerWaalsContact CE-OE1 3.3Å; K613-E628 WeakPolarHBondContact CE-OE1 3.4Å; K613-E628 IonicContact NZ-OE1 2.84Å; K613-E628 PolarHBondContact NZ-OE1 3.45Å; T617-E628 HydrophobicContact CG2-CB 3.52Å; T617-E628 HydrophobicContact CG2-CG 3.6Å; E628-C630 PolarHBondContact O-N 3.33Å; E628-V631 PolarHBondContact O-N 3.4Å
629	S	91.3	Very high	90.1	Very high	106 Å²	106	29.6 Å²	29.6	74%	0.741	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-60.9	-8.5	176.1	58.1	0	0	0	0	115	P627	P627-S629 PolarHBondContact O-N 2.96Å
630	C	91	Very high	89.6	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.02	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-101	-10.8	174	-53.3	0	0	0	0	113	L473 C474 K478 I626 P627 E628	L473-C630 WeakPolarHBondContact CA-O 3.22Å; C474-C630 PolarHBondContact N-O 3.42Å; K478-C630 WeakPolarHBondContact CD-SG 3.23Å; K478-C630 PolarHBondContact NZ-SG 3.02Å; I626-C630 HydrophobicContact CG2-CB 3.79Å; P627-C630 WeakPolarHBondContact O-CB 3.48Å; P627-C630 PolarHBondContact O-N 3Å; E628-C630 PolarHBondContact O-N 3.33Å
631	V	92.8	Very high	89.4	Confident	10 Å²	10	34.1 Å²	34.1	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	91.9	-172.9	-172.6	0	0	0	0	109.5	F471 L473 V616 L620 I626 E628 F633	F471-V631 HydrophobicContact CB-CG1 4.47Å; F471-V631 HydrophobicContact CD2-CG1 4Å; L473-V631 HydrophobicContact CD2-CG2 3.88Å; V616-V631 HydrophobicContact CG1-CG1 4.28Å; L620-V631 HydrophobicContact CD1-CG2 3.98Å; I626-V631 HydrophobicContact CG2-CG2 4.43Å; E628-V631 PolarHBondContact O-N 3.4Å; V631-F633 PolarHBondContact O-N 3.16Å
632	R	92.1	Very high	89.2	Confident	28 Å²	28	29.3 Å²	29.3	11%	0.106	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	105	173.3	172.8	174.2	164	139.2	-5.2	108.9	F471 Q472 M637 Q984 L985 D987 Q990	F471-R632 CarbonylContact C-O 3.55Å; F471-R632 WeakPolarHBondContact CA-O 3.44Å; Q472-R632 HydrophobicContact CB-CB 4.34Å; Q472-R632 PolarHBondContact N-O 3.1Å; Q472-R632 PolarHBondContact O-N 3.29Å; R632-M637 HydrophobicContact CG-CE 4.04Å; R632-Q984 PolarHBondContact NH2-O 2.64Å; R632-L985 PolarHBondContact NH2-O 2.97Å; R632-L985 VanDerWaalsContact NH2-O 3.11Å; R632-D987 PolarHBondContact NH1-O 2.89Å; R632-D987 PolarHBondContact NH2-O 3.33Å; R632-Q990 PolarHBondContact NH1-O 3Å
633	F	90.3	Very high	88.9	Confident	19 Å²	19	29.1 Å²	29.1	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.3	173.4	-170.3	-92.7	0	0	0	110.3	C469 F471 L610 K613 V631 T636 M637	C469-F633 HydrophobicContact CB-CE2 4.27Å; C469-F633 HydrophobicContact CB-CZ 4.01Å; F471-F633 HydrophobicContact CB-CD2 4.01Å; L610-F633 HydrophobicContact CD2-CD1 3.99Å; L610-F633 HydrophobicContact CD2-CE1 3.7Å; L610-F633 HydrophobicContact CD2-CZ 4.43Å; K613-F633 HydrophobicContact CB-CD1 4.41Å; K613-F633 HydrophobicContact CB-CD2 3.67Å; K613-F633 HydrophobicContact CB-CE2 3.81Å; K613-F633 HydrophobicContact CB-CG 3.99Å; K613-F633 HydrophobicContact CB-CZ 4.24Å; K613-F633 HydrophobicContact CD-CB 3.85Å; K613-F633 HydrophobicContact CD-CD1 4.37Å; K613-F633 HydrophobicContact CD-CD2 4.46Å; K613-F633 HydrophobicContact CD-CG 3.98Å; K613-F633 HydrophobicContact CG-CB 3.85Å; K613-F633 HydrophobicContact CG-CD1 4.43Å; K613-F633 HydrophobicContact CG-CD2 3.72Å; K613-F633 HydrophobicContact CG-CE2 4.38Å; K613-F633 HydrophobicContact CG-CG 3.74Å; V631-F633 PolarHBondContact O-N 3.16Å; F633-T636 HydrophobicContact CE1-CG2 4.32Å; F633-M637 WeakPolarHBondContact O-CE 3.32Å
634	V	85.4	Confident	88.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.			trans	-97.2	-42	-171	-172.9	0	0	0	0	112	I464 V470 Q472 T636 M637 Q894 L985	I464-V634 HydrophobicContact CD1-CG1 4.01Å; V470-V634 HydrophobicContact CB-CB 4.33Å; V470-V634 HydrophobicContact CB-CG2 4.44Å; V470-V634 HydrophobicContact CG1-CG2 4.34Å; V470-V634 VanDerWaalsContact O-CB 3.29Å; V470-V634 WeakPolarHBondContact O-CB 3.32Å; V470-V634 PolarHBondContact O-N 3.25Å; Q472-V634 HydrophobicContact CG-CG2 4.31Å; V634-T636 PolarHBondContact O-N 3Å; V634-M637 HydrophobicContact CG1-SD 4.43Å; V634-M637 WeakPolarHBondContact O-CG 3.36Å; V634-M637 PolarHBondContact O-N 3.01Å; V634-Q894 PolarHBondContact O-OE1 2.97Å; V634-L985 HydrophobicContact CG1-CB 3.71Å; V634-L985 HydrophobicContact CG1-CD1 4.45Å; V634-L985 HydrophobicContact CG1-CD2 3.68Å; V634-L985 HydrophobicContact CG1-CG 4.12Å
635	G	73.1	Confident	87.1	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	6.1	-159.5	0	0	0	0	0	120.1
636	T	77	Confident	85.8	Confident	41 Å²	41	35.2 Å²	35.2	25%	0.252	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	14.5	174.1	61.7	0	0	0	0	113.1	L610 F633 V634 V638 D639	L610-T636 HydrophobicContact CD2-CG2 3.73Å; L610-T636 HydrophobicContact CG-CG2 4.27Å; F633-T636 HydrophobicContact CE1-CG2 4.32Å; V634-T636 PolarHBondContact O-N 3Å; T636-V638 PolarHBondContact O-N 3.08Å; T636-D639 PolarHBondContact O-N 3.42Å
637	M	83.3	Confident	84.7	Confident	35 Å²	35	43.3 Å²	43.3	17%	0.172	24%	0.243	C	C	.	.	S	Bend	trans	-63.4	-25	-178.1	-74.4	-176.1	-178.4	0	0	113.1	R632 F633 V634 L985 M991 V994	R632-M637 HydrophobicContact CG-CE 4.04Å; F633-M637 WeakPolarHBondContact O-CE 3.32Å; V634-M637 HydrophobicContact CG1-SD 4.43Å; V634-M637 WeakPolarHBondContact O-CG 3.36Å; V634-M637 PolarHBondContact O-N 3.01Å; M637-L985 HydrophobicContact CB-CD2 3.98Å; M637-L985 HydrophobicContact CG-CD2 4.49Å; M637-L985 HydrophobicContact SD-CD2 3.97Å; M637-M991 HydrophobicContact CE-CE 3.51Å; M637-V994 WeakPolarHBondContact O-CG2 3.33Å
638	V	85.5	Confident	84.2	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.018	25%	0.245	C	C	.	.	S	Bend	trans	-93.3	-18.6	-176.8	-160	0	0	0	0	112.8	T636 D640 V641 L854 Q894 F897 L981 M998	T636-V638 PolarHBondContact O-N 3.08Å; V638-D640 PolarHBondContact O-N 3.2Å; V638-D640 VanDerWaalsContact O-N 3.08Å; V638-V641 WeakPolarHBondContact O-CG2 3.34Å; V638-V641 PolarHBondContact O-N 3.14Å; V638-L854 HydrophobicContact CG1-CD2 4.09Å; V638-Q894 HydrophobicContact CG2-CG 4.32Å; V638-F897 HydrophobicContact CG1-CD1 4.16Å; V638-F897 HydrophobicContact CG1-CE1 4.18Å; V638-L981 HydrophobicContact CG2-CD1 4.22Å; V638-L981 HydrophobicContact CG2-CD2 4.28Å; V638-M998 HydrophobicContact CG1-CE 4.05Å
639	D	88.1	Confident	83.8	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.043	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.7	-22.2	-175.4	-70.8	36.2	0	0	0	113.4	R609 T636 V641 I642 T643 T651	R609-D639 IonicContact CZ-OD2 3.99Å; R609-D639 IonicContact NE-OD2 2.75Å; R609-D639 IonicContact NH2-OD2 2.86Å; R609-D639 PolarHBondContact NH2-OD2 3.14Å; T636-D639 PolarHBondContact O-N 3.42Å; D639-V641 VanDerWaalsContact C-N 3.3Å; D639-V641 PolarHBondContact O-N 3.27Å; D639-I642 VanDerWaalsContact O-CG1 3.32Å; D639-I642 WeakPolarHBondContact O-CG1 3.06Å; D639-I642 PolarHBondContact O-N 2.91Å; D639-T643 PolarHBondContact O-N 2.87Å; D639-T643 PolarHBondContact O-OG1 3.3Å; D639-T651 HydrophobicContact CB-CG2 3.92Å
640	D	87.6	Confident	83.7	Confident	82 Å²	82	37.3 Å²	37.3	44%	0.439	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-50.6	-43.5	177.6	171.9	100.8	0	0	0	112.9	V638 I642 T643 R995	V638-D640 PolarHBondContact O-N 3.2Å; V638-D640 VanDerWaalsContact O-N 3.08Å; D640-I642 PolarHBondContact O-N 3.29Å; D640-I642 VanDerWaalsContact O-N 3.09Å; D640-T643 WeakPolarHBondContact O-CB 3.49Å; D640-T643 PolarHBondContact O-N 2.95Å; D640-T643 VanDerWaalsContact O-N 3.11Å; D640-R995 IonicContact OD1-NH2 2.94Å; D640-R995 PolarHBondContact OD1-NH2 3.45Å; D640-R995 IonicContact OD2-CZ 2.68Å; D640-R995 IonicContact OD2-NE 2.73Å; D640-R995 PolarHBondContact OD2-NE 2.86Å; D640-R995 IonicContact OD2-NH2 4Å; D640-R995 PolarHBondContact OD2-NH2 3.12Å
641	V	90.4	Very high	83.6	Confident	14 Å²	14	37.1 Å²	37.1	9%	0.085	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-73.4	-3.9	-174.9	-59.9	0	0	0	0	114.9	V638 D639 F696 L854 R857 R995 M998	V638-V641 WeakPolarHBondContact O-CG2 3.34Å; V638-V641 PolarHBondContact O-N 3.14Å; D639-V641 VanDerWaalsContact C-N 3.3Å; D639-V641 PolarHBondContact O-N 3.27Å; V641-F696 WeakPolarHBondContact O-CZ 3.15Å; V641-L854 HydrophobicContact CG2-CD2 4Å; V641-R857 HydrophobicContact CB-CG 4.21Å; V641-R857 HydrophobicContact CG2-CG 4.11Å; V641-R857 WeakPolarHBondContact O-CD 3.31Å; V641-R857 WeakPolarHBondContact O-CG 3.35Å; V641-R995 HydrophobicContact CG1-CG 4Å; V641-M998 HydrophobicContact CG1-CG 4.33Å; V641-M998 HydrophobicContact CG2-CE 3.83Å; V641-M998 HydrophobicContact CG2-SD 4.42Å
642	I	92.6	Very high	83.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-125	9.8	172.9	60.9	160.4	0	0	0	112.8	D639 D640 T651 V695 A850 R853 L854 R857	D639-I642 VanDerWaalsContact O-CG1 3.32Å; D639-I642 WeakPolarHBondContact O-CG1 3.06Å; D639-I642 PolarHBondContact O-N 2.91Å; D640-I642 PolarHBondContact O-N 3.29Å; D640-I642 VanDerWaalsContact O-N 3.09Å; I642-T651 HydrophobicContact CD1-CG2 4.16Å; I642-T651 HydrophobicContact CG1-CG2 4.21Å; I642-V695 HydrophobicContact CG2-CG1 4.27Å; I642-A850 HydrophobicContact CD1-CB 4.46Å; I642-R853 HydrophobicContact CD1-CB 4.16Å; I642-R853 HydrophobicContact CG2-CB 4.18Å; I642-R853 PolarHBondContact O-NH2 3.13Å; I642-L854 HydrophobicContact CD1-CD2 3.93Å; I642-L854 HydrophobicContact CD1-CG 3.86Å; I642-L854 HydrophobicContact CG1-CD2 3.83Å; I642-L854 HydrophobicContact CG1-CG 4.33Å; I642-L854 HydrophobicContact CG2-CD2 4.03Å; I642-R857 HydrophobicContact CG2-CB 3.87Å; I642-R857 HydrophobicContact CG2-CG 4.24Å
643	T	88.5	Confident	83.6	Confident	54 Å²	54	36.4 Å²	36.4	33%	0.331	21%	0.205	S	C	.	.			trans	-71.7	140.1	-176.8	-69.8	0	0	0	0	111.6	D639 D640 P649 S650	D639-T643 PolarHBondContact O-N 2.87Å; D639-T643 PolarHBondContact O-OG1 3.3Å; D640-T643 WeakPolarHBondContact O-CB 3.49Å; D640-T643 PolarHBondContact O-N 2.95Å; D640-T643 VanDerWaalsContact O-N 3.11Å; T643-P649 HydrophobicContact CG2-CB 3.89Å; T643-S650 CarbonylContact C-O 3.58Å; T643-S650 VanDerWaalsContact CA-O 3.31Å; T643-S650 WeakPolarHBondContact CA-O 3.46Å
644	T	80.1	Confident	83.7	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.037	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-131.1	168.9	-178.5	52.6	0	0	0	0	111.2	P649 S650 G652 E655 F696	T644-P649 WeakPolarHBondContact O-CA 3.33Å; T644-S650 PolarHBondContact N-O 3.47Å; T644-S650 PolarHBondContact O-N 3.04Å; T644-G652 WeakPolarHBondContact OG1-CA 3.29Å; T644-G652 PolarHBondContact OG1-N 3.44Å; T644-E655 WeakPolarHBondContact CB-OE1 3.4Å; T644-E655 PolarHBondContact OG1-OE1 3.15Å; T644-F696 HydrophobicContact CG2-CD1 3.86Å
645	G	69.7	Low	84.1	Confident	33 Å²	33	39 Å²	39	34%	0.34	22%	0.217	S	C	.	.			trans	84.6	136.8	-179	0	0	0	0	0	114.7
646	N	64.6	Low	85.1	Confident	151 Å²	151	39 Å²	39	81%	0.807	22%	0.217	S	C	*	.	S	Bend	trans	-87.7	-29	-176.5	-62.4	-42.8	0	0	0	114.3
647	E	71.3	Confident	86	Confident	175 Å²	175	40.5 Å²	40.5	82%	0.818	22%	0.223	S	C	*	.	S	Bend	trans	-110.5	-38.9	-174.8	-63.6	-170.1	165.5	0	0	113.3
648	V	80.8	Confident	86.5	Confident	51 Å²	51	42.7 Å²	42.7	31%	0.309	24%	0.235	S	C	.	.	S	Bend	trans	-123.9	108.8	176.3	178.1	0	0	0	0	106.3	K603 S650	K603-V648 HydrophobicContact CB-CG1 4.04Å; K603-V648 HydrophobicContact CD-CG2 4.17Å; V648-S650 PolarHBondContact O-N 2.85Å
649	P	83.9	Confident	87	Confident	66 Å²	66	42.6 Å²	42.6	43%	0.429	23%	0.234	S	C	.	.			trans	-59	123.9	177	-26.7	35.7	0	0	0	110.9	S604 S606 T643 T644	S604-P649 WeakPolarHBondContact CB-O 3.21Å; S604-P649 PolarHBondContact OG-O 2.89Å; S606-P649 PolarHBondContact OG-O 2.81Å; T643-P649 HydrophobicContact CG2-CB 3.89Å; T644-P649 WeakPolarHBondContact O-CA 3.33Å
650	S	88.7	Confident	87.4	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.021	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-111.2	164.2	166.6	-173.5	0	0	0	0	109.7	T643 T644 V648 G652 E654 E655	T643-S650 CarbonylContact C-O 3.58Å; T643-S650 VanDerWaalsContact CA-O 3.31Å; T643-S650 WeakPolarHBondContact CA-O 3.46Å; T644-S650 PolarHBondContact N-O 3.47Å; T644-S650 PolarHBondContact O-N 3.04Å; V648-S650 PolarHBondContact O-N 2.85Å; S650-G652 VanDerWaalsContact C-N 3.26Å; S650-G652 PolarHBondContact OG-N 2.97Å; S650-E654 WeakPolarHBondContact CB-OE2 3.46Å; S650-E654 PolarHBondContact OG-OE2 2.88Å; S650-E655 WeakPolarHBondContact CB-OE2 3.32Å; S650-E655 PolarHBondContact OG-OE2 2.89Å
651	T	90.4	Very high	87.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.			trans	-98.5	30	159.2	39.9	0	0	0	0	110.4	R609 D639 I642 E653 R853	R609-T651 PolarHBondContact NH1-OG1 3.32Å; R609-T651 PolarHBondContact NH2-OG1 2.83Å; D639-T651 HydrophobicContact CB-CG2 3.92Å; I642-T651 HydrophobicContact CD1-CG2 4.16Å; I642-T651 HydrophobicContact CG1-CG2 4.21Å; T651-E653 WeakPolarHBondContact CA-OE2 3.46Å; T651-E653 VanDerWaalsContact CB-OE2 3.32Å; T651-E653 WeakPolarHBondContact CB-OE2 3.38Å; T651-E653 PolarHBondContact N-OE2 3.48Å; T651-E653 PolarHBondContact O-N 2.89Å; T651-E653 VanDerWaalsContact O-OE2 3.09Å; T651-E653 PolarHBondContact OG1-OE1 3.26Å; T651-E653 PolarHBondContact OG1-OE2 2.83Å; T651-R853 PolarHBondContact O-NH1 3.27Å; T651-R853 PolarHBondContact O-NH2 3.48Å
652	G	91.8	Very high	88.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	74.8	9.5	172.1	0	0	0	0	0	116.8	T644 S650 E655 S656 R853	T644-G652 WeakPolarHBondContact OG1-CA 3.29Å; T644-G652 PolarHBondContact OG1-N 3.44Å; S650-G652 VanDerWaalsContact C-N 3.26Å; S650-G652 PolarHBondContact OG-N 2.97Å; G652-E655 VanDerWaalsContact CA-OE2 3.28Å; G652-E655 WeakPolarHBondContact CA-OE2 3.3Å; G652-S656 WeakPolarHBondContact O-CB 3.48Å; G652-S656 PolarHBondContact O-N 2.89Å; G652-S656 PolarHBondContact O-OG 3.21Å; G652-R853 VanDerWaalsContact C-NH1 3.33Å; G652-R853 PolarHBondContact O-NH1 3.05Å
653	E	92.8	Very high	88.3	Confident	22 Å²	22	44.8 Å²	44.8	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-39.2	175.1	-62.8	96.1	140.6	0	0	111.7	A605 R609 T651 L657	A605-E653 HydrophobicContact CB-CB 3.97Å; A605-E653 HydrophobicContact CB-CG 4.12Å; R609-E653 IonicContact CZ-OE1 3.38Å; R609-E653 IonicContact NH1-OE1 3.71Å; R609-E653 PolarHBondContact NH1-OE1 3.07Å; T651-E653 WeakPolarHBondContact CA-OE2 3.46Å; T651-E653 VanDerWaalsContact CB-OE2 3.32Å; T651-E653 WeakPolarHBondContact CB-OE2 3.38Å; T651-E653 PolarHBondContact N-OE2 3.48Å; T651-E653 PolarHBondContact O-N 2.89Å; T651-E653 VanDerWaalsContact O-OE2 3.09Å; T651-E653 PolarHBondContact OG1-OE1 3.26Å; T651-E653 PolarHBondContact OG1-OE2 2.83Å; E653-L657 WeakPolarHBondContact O-CB 3.3Å; E653-L657 PolarHBondContact O-N 3.34Å
654	E	92.9	Very high	88.6	Confident	55 Å²	55	45.4 Å²	45.4	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-44.3	175.1	-76.5	77.9	-154.9	0	0	112.1	S604 A605 S650 L657 L658	S604-E654 WeakPolarHBondContact CA-OE1 3.48Å; S604-E654 WeakPolarHBondContact CB-OE2 3.47Å; A605-E654 PolarHBondContact N-OE1 3.46Å; A605-E654 PolarHBondContact N-OE2 2.75Å; S650-E654 WeakPolarHBondContact CB-OE2 3.46Å; S650-E654 PolarHBondContact OG-OE2 2.88Å; E654-L657 WeakPolarHBondContact O-CB 3.23Å; E654-L657 PolarHBondContact O-N 3.4Å; E654-L658 WeakPolarHBondContact O-CG 3.34Å; E654-L658 PolarHBondContact O-N 2.88Å
655	E	93	Very high	89.4	Confident	19 Å²	19	46.9 Å²	46.9	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-40.5	179	-65	90.8	135.5	0	0	111.3	T644 S650 G652 L657 L658 V659 P697 E699	T644-E655 WeakPolarHBondContact CB-OE1 3.4Å; T644-E655 PolarHBondContact OG1-OE1 3.15Å; S650-E655 WeakPolarHBondContact CB-OE2 3.32Å; S650-E655 PolarHBondContact OG-OE2 2.89Å; G652-E655 VanDerWaalsContact CA-OE2 3.28Å; G652-E655 WeakPolarHBondContact CA-OE2 3.3Å; E655-L657 VanDerWaalsContact C-N 3.35Å; E655-L658 PolarHBondContact O-N 2.64Å; E655-V659 WeakPolarHBondContact O-CG2 3.12Å; E655-V659 PolarHBondContact O-N 2.68Å; E655-V659 VanDerWaalsContact O-N 3.12Å; E655-P697 HydrophobicContact CB-CB 4.03Å; E655-E699 HydrophobicContact CG-CG 4.31Å
656	S	94.8	Very high	90.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-40.2	172.2	-57.5	0	0	0	0	111.9	G652 V659 V660 P697	G652-S656 WeakPolarHBondContact O-CB 3.48Å; G652-S656 PolarHBondContact O-N 2.89Å; G652-S656 PolarHBondContact O-OG 3.21Å; S656-V659 PolarHBondContact O-N 3.3Å; S656-V660 WeakPolarHBondContact O-CG2 3.43Å; S656-V660 PolarHBondContact O-N 3.26Å; S656-P697 VanDerWaalsContact OG-CG 3.24Å; S656-P697 WeakPolarHBondContact OG-CG 3.46Å
657	L	94.8	Very high	92.2	Very high	73 Å²	73	39 Å²	39	38%	0.382	20%	0.202	S	C	.	.	H	α-helix	trans	-64.6	-40.6	176.6	176.6	62.9	0	0	0	112.1	E653 E654 E655 V659 V660 Q661 Y692	E653-L657 WeakPolarHBondContact O-CB 3.3Å; E653-L657 PolarHBondContact O-N 3.34Å; E654-L657 WeakPolarHBondContact O-CB 3.23Å; E654-L657 PolarHBondContact O-N 3.4Å; E655-L657 VanDerWaalsContact C-N 3.35Å; L657-V659 VanDerWaalsContact C-N 3.34Å; L657-V659 PolarHBondContact O-N 2.9Å; L657-V660 PolarHBondContact O-N 2.66Å; L657-Q661 HydrophobicContact CD1-CG 4.22Å; L657-Q661 WeakPolarHBondContact O-CB 3.32Å; L657-Q661 VanDerWaalsContact O-CG 3.29Å; L657-Q661 WeakPolarHBondContact O-CG 3.35Å; L657-Q661 PolarHBondContact O-N 2.98Å; L657-Y692 HydrophobicContact CB-CE1 4.23Å; L657-Y692 WeakPolarHBondContact CD1-OH 3.45Å
658	L	94.1	Very high	93.4	Very high	82 Å²	82	37.2 Å²	37.2	43%	0.429	19%	0.188	S	C	.	.	H	α-helix	trans	-61.2	-42.1	174.1	-70.2	171.9	0	0	0	111.7	E654 E655 Q661 S662 P700	E654-L658 WeakPolarHBondContact O-CG 3.34Å; E654-L658 PolarHBondContact O-N 2.88Å; E655-L658 PolarHBondContact O-N 2.64Å; L658-Q661 PolarHBondContact O-N 2.85Å; L658-S662 WeakPolarHBondContact O-CB 3.43Å; L658-S662 PolarHBondContact O-N 2.71Å; L658-P700 HydrophobicContact CD1-CG 4.39Å
659	V	95.6	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-43.5	175.5	166.8	0	0	0	0	111.7	E655 S656 L657 S662 Y663 A689 L690 P698 I732 L788	E655-V659 WeakPolarHBondContact O-CG2 3.12Å; E655-V659 PolarHBondContact O-N 2.68Å; E655-V659 VanDerWaalsContact O-N 3.12Å; S656-V659 PolarHBondContact O-N 3.3Å; L657-V659 VanDerWaalsContact C-N 3.34Å; L657-V659 PolarHBondContact O-N 2.9Å; V659-S662 PolarHBondContact O-N 3.09Å; V659-Y663 WeakPolarHBondContact O-CB 3.45Å; V659-Y663 PolarHBondContact O-N 3.24Å; V659-A689 HydrophobicContact CG1-CB 3.97Å; V659-L690 HydrophobicContact CG1-CD2 3.83Å; V659-P698 HydrophobicContact CG2-CB 4.1Å; V659-P698 HydrophobicContact CG2-CG 4.4Å; V659-P698 VanDerWaalsContact CG2-O 3.31Å; V659-P698 WeakPolarHBondContact CG2-O 3.38Å; V659-I732 HydrophobicContact CG1-CD1 3.76Å; V659-I732 HydrophobicContact CG1-CG1 4.23Å; V659-I732 HydrophobicContact CG1-CG2 4.36Å; V659-I732 HydrophobicContact CG2-CD1 4.24Å; V659-L788 HydrophobicContact CG2-CD1 3.97Å; V659-L788 HydrophobicContact CG2-CD2 4.26Å
660	V	96.6	Very high	94.6	Very high	11 Å²	11	34.4 Å²	34.4	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-47.5	174.6	169.2	0	0	0	0	111.5	S656 L657 S662 Y663 D664 L690 Y692	S656-V660 WeakPolarHBondContact O-CG2 3.43Å; S656-V660 PolarHBondContact O-N 3.26Å; L657-V660 PolarHBondContact O-N 2.66Å; V660-S662 VanDerWaalsContact C-N 3.33Å; V660-S662 PolarHBondContact O-N 3.46Å; V660-Y663 WeakPolarHBondContact O-CB 3.42Å; V660-Y663 PolarHBondContact O-N 3.47Å; V660-D664 PolarHBondContact O-N 2.93Å; V660-L690 HydrophobicContact CG2-CD2 4.16Å; V660-Y692 HydrophobicContact CG2-CE2 4.08Å
661	Q	96.4	Very high	94.8	Very high	103 Å²	103	40.7 Å²	40.7	48%	0.481	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-40.4	179.6	-73.1	174.5	4.9	0	0	112.4	L657 L658 D665	L657-Q661 HydrophobicContact CD1-CG 4.22Å; L657-Q661 WeakPolarHBondContact O-CB 3.32Å; L657-Q661 VanDerWaalsContact O-CG 3.29Å; L657-Q661 WeakPolarHBondContact O-CG 3.35Å; L657-Q661 PolarHBondContact O-N 2.98Å; L658-Q661 PolarHBondContact O-N 2.85Å; Q661-D665 PolarHBondContact O-N 2.91Å
662	S	95.8	Very high	94.9	Very high	11 Å²	11	48.9 Å²	48.9	8%	0.077	22%	0.224	C	C	.	.	H	α-helix	trans	-71.6	-35	177	-172.8	0	0	0	0	112.5	L658 V659 V660 L666 K785 D786	L658-S662 WeakPolarHBondContact O-CB 3.43Å; L658-S662 PolarHBondContact O-N 2.71Å; V659-S662 PolarHBondContact O-N 3.09Å; V660-S662 VanDerWaalsContact C-N 3.33Å; V660-S662 PolarHBondContact O-N 3.46Å; S662-L666 PolarHBondContact O-N 3.24Å; S662-K785 PolarHBondContact O-NZ 2.87Å; S662-K785 PolarHBondContact OG-NZ 3.2Å; S662-D786 PolarHBondContact OG-OD2 3.29Å
663	Y	96.8	Very high	94.9	Very high	26 Å²	26	49.8 Å²	49.8	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-47.5	170.4	165.4	-96	0	0	0	112.3	V659 V660 D665 L666 S667 V683 Q684 G685 L690 V734	V659-Y663 WeakPolarHBondContact O-CB 3.45Å; V659-Y663 PolarHBondContact O-N 3.24Å; V660-Y663 WeakPolarHBondContact O-CB 3.42Å; V660-Y663 PolarHBondContact O-N 3.47Å; Y663-D665 PolarHBondContact O-N 3.26Å; Y663-L666 PolarHBondContact O-N 3.28Å; Y663-L666 VanDerWaalsContact O-N 3.12Å; Y663-S667 WeakPolarHBondContact O-CB 3.19Å; Y663-S667 PolarHBondContact O-N 3.19Å; Y663-V683 HydrophobicContact CE2-CG1 4.45Å; Y663-V683 PolarHBondContact OH-O 2.94Å; Y663-Q684 WeakPolarHBondContact OH-CA 3.4Å; Y663-G685 PolarHBondContact OH-N 3.25Å; Y663-G685 VanDerWaalsContact OH-N 3.08Å; Y663-L690 HydrophobicContact CD1-CD2 4.11Å; Y663-L690 HydrophobicContact CD2-CD1 3.89Å; Y663-L690 HydrophobicContact CD2-CD2 4.28Å; Y663-L690 HydrophobicContact CE2-CD1 4.22Å; Y663-L690 HydrophobicContact CG-CD1 4.08Å; Y663-L690 HydrophobicContact CG-CD2 3.69Å; Y663-V734 HydrophobicContact CD2-CG2 3.74Å; Y663-V734 HydrophobicContact CE2-CB 4.49Å; Y663-V734 HydrophobicContact CE2-CG1 3.99Å; Y663-V734 HydrophobicContact CE2-CG2 3.74Å
664	D	96.6	Very high	94.6	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.353	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-35.2	-178.8	-73.4	-23.2	0	0	0	111.6	V660 R668	V660-D664 PolarHBondContact O-N 2.93Å; D664-R668 WeakPolarHBondContact O-CB 3.25Å; D664-R668 VanDerWaalsContact O-CG 3.3Å; D664-R668 WeakPolarHBondContact O-CG 3.34Å; D664-R668 PolarHBondContact O-N 3.08Å; D664-R668 PolarHBondContact O-NH1 3.42Å
665	D	96.6	Very high	94.2	Very high	37 Å²	37	56.4 Å²	56.4	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-44.1	172	176.6	67	0	0	0	113.1	Q661 Y663 S667 R668 K669 K785	Q661-D665 PolarHBondContact O-N 2.91Å; Y663-D665 PolarHBondContact O-N 3.26Å; D665-S667 VanDerWaalsContact C-N 3.33Å; D665-S667 PolarHBondContact O-N 3.47Å; D665-R668 VanDerWaalsContact CA-NH2 3.26Å; D665-R668 PolarHBondContact O-N 3.19Å; D665-R668 IonicContact OD1-NH2 3.33Å; D665-K669 VanDerWaalsContact CG-NZ 3.33Å; D665-K669 WeakPolarHBondContact O-CB 3.48Å; D665-K669 WeakPolarHBondContact O-CG 3.49Å; D665-K669 PolarHBondContact O-N 3Å; D665-K669 VanDerWaalsContact O-N 3.11Å; D665-K669 VanDerWaalsContact OD1-CE 3.28Å; D665-K669 WeakPolarHBondContact OD1-CE 3.21Å; D665-K669 IonicContact OD1-NZ 3.18Å; D665-K669 PolarHBondContact OD1-NZ 3.48Å; D665-K669 WeakPolarHBondContact OD2-CE 3.29Å; D665-K669 IonicContact OD2-NZ 3.23Å; D665-K669 PolarHBondContact OD2-NZ 3.22Å; D665-K785 WeakPolarHBondContact OD2-CE 3.32Å; D665-K785 IonicContact OD2-NZ 2.92Å; D665-K785 PolarHBondContact OD2-NZ 2.63Å
666	L	96	Very high	94.1	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-42.6	173.6	179	59.2	0	0	0	111.5	S662 Y663 K669 L670 Y772 K785 F790 I792	S662-L666 PolarHBondContact O-N 3.24Å; Y663-L666 PolarHBondContact O-N 3.28Å; Y663-L666 VanDerWaalsContact O-N 3.12Å; L666-K669 WeakPolarHBondContact O-CB 3.48Å; L666-K669 PolarHBondContact O-N 3.13Å; L666-K669 VanDerWaalsContact O-N 3.17Å; L666-L670 HydrophobicContact CD1-CD1 4.19Å; L666-L670 HydrophobicContact CD1-CG 4.21Å; L666-L670 HydrophobicContact CG-CD1 3.91Å; L666-L670 HydrophobicContact CG-CG 4.4Å; L666-L670 WeakPolarHBondContact O-CG 3.3Å; L666-L670 PolarHBondContact O-N 2.97Å; L666-Y772 HydrophobicContact CD1-CE2 4.25Å; L666-K785 HydrophobicContact CB-CD 3.97Å; L666-K785 HydrophobicContact CD1-CD 4.32Å; L666-F790 HydrophobicContact CD2-CB 3.47Å; L666-F790 VanDerWaalsContact CD2-CB 3.47Å; L666-F790 HydrophobicContact CD2-CD1 3.82Å; L666-F790 HydrophobicContact CD2-CD2 3.78Å; L666-F790 HydrophobicContact CD2-CE2 4.48Å; L666-F790 HydrophobicContact CD2-CG 3.39Å; L666-I792 HydrophobicContact CD2-CD1 4.42Å
667	S	96.4	Very high	93.7	Very high	17 Å²	17	61 Å²	61	12%	0.119	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-49.5	177.3	-179.6	0	0	0	0	111.6	Y663 D665 K669 L670 W671	Y663-S667 WeakPolarHBondContact O-CB 3.19Å; Y663-S667 PolarHBondContact O-N 3.19Å; D665-S667 VanDerWaalsContact C-N 3.33Å; D665-S667 PolarHBondContact O-N 3.47Å; S667-K669 PolarHBondContact O-N 3.28Å; S667-L670 PolarHBondContact O-N 3.26Å; S667-W671 WeakPolarHBondContact O-CB 3.46Å; S667-W671 PolarHBondContact O-N 3.46Å
668	R	96.3	Very high	93.5	Very high	137 Å²	137	58.7 Å²	58.7	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-27.3	174.8	-73.9	-175.6	-55.1	-96.5	2.6	113.7	D664 D665 K672	D664-R668 WeakPolarHBondContact O-CB 3.25Å; D664-R668 VanDerWaalsContact O-CG 3.3Å; D664-R668 WeakPolarHBondContact O-CG 3.34Å; D664-R668 PolarHBondContact O-N 3.08Å; D664-R668 PolarHBondContact O-NH1 3.42Å; D665-R668 VanDerWaalsContact CA-NH2 3.26Å; D665-R668 PolarHBondContact O-N 3.19Å; D665-R668 IonicContact OD1-NH2 3.33Å; R668-K672 WeakPolarHBondContact O-CG 3.48Å
669	K	95.2	Very high	93.4	Very high	56 Å²	56	57.5 Å²	57.5	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-79.3	-47.1	176.8	-78.2	168.6	-179.7	167.1	0	111.6	D665 L666 S667 W671 K672 L673 H770 Y772	D665-K669 VanDerWaalsContact CG-NZ 3.33Å; D665-K669 WeakPolarHBondContact O-CB 3.48Å; D665-K669 WeakPolarHBondContact O-CG 3.49Å; D665-K669 PolarHBondContact O-N 3Å; D665-K669 VanDerWaalsContact O-N 3.11Å; D665-K669 VanDerWaalsContact OD1-CE 3.28Å; D665-K669 WeakPolarHBondContact OD1-CE 3.21Å; D665-K669 IonicContact OD1-NZ 3.18Å; D665-K669 PolarHBondContact OD1-NZ 3.48Å; D665-K669 WeakPolarHBondContact OD2-CE 3.29Å; D665-K669 IonicContact OD2-NZ 3.23Å; D665-K669 PolarHBondContact OD2-NZ 3.22Å; L666-K669 WeakPolarHBondContact O-CB 3.48Å; L666-K669 PolarHBondContact O-N 3.13Å; L666-K669 VanDerWaalsContact O-N 3.17Å; S667-K669 PolarHBondContact O-N 3.28Å; K669-W671 VanDerWaalsContact C-N 3.32Å; K669-W671 PolarHBondContact O-N 3.4Å; K669-K672 CarbonylContact O-C 3.56Å; K669-K672 PolarHBondContact O-N 2.66Å; K669-L673 PolarHBondContact O-N 2.88Å; K669-H770 WeakPolarHBondContact CB-NE2 3.03Å; K669-Y772 HydrophobicContact CD-CE2 4.39Å; K669-Y772 WeakPolarHBondContact CD-OH 3.45Å; K669-Y772 PolarHBondContact NZ-OH 3.04Å
670	L	95	Very high	93.3	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-43	173.2	-71.5	165.3	0	0	0	112.1	L666 S667 K672 L673 I680 V683 L762 L766 I792	L666-L670 HydrophobicContact CD1-CD1 4.19Å; L666-L670 HydrophobicContact CD1-CG 4.21Å; L666-L670 HydrophobicContact CG-CD1 3.91Å; L666-L670 HydrophobicContact CG-CG 4.4Å; L666-L670 WeakPolarHBondContact O-CG 3.3Å; L666-L670 PolarHBondContact O-N 2.97Å; S667-L670 PolarHBondContact O-N 3.26Å; L670-K672 PolarHBondContact O-N 2.97Å; L670-K672 VanDerWaalsContact O-N 3.15Å; L670-L673 HydrophobicContact CD2-CD1 4.19Å; L670-L673 VanDerWaalsContact O-CB 3.24Å; L670-L673 WeakPolarHBondContact O-CB 3.29Å; L670-L673 PolarHBondContact O-N 3.38Å; L670-I680 HydrophobicContact CB-CD1 4.35Å; L670-I680 HydrophobicContact CD2-CD1 4.5Å; L670-V683 HydrophobicContact CB-CG2 3.96Å; L670-V683 HydrophobicContact CD1-CG1 3.93Å; L670-V683 HydrophobicContact CD1-CG2 4.34Å; L670-L762 HydrophobicContact CD2-CD2 4.19Å; L670-L766 HydrophobicContact CD2-CD1 4.39Å; L670-L766 HydrophobicContact CD2-CD2 4.08Å; L670-I792 HydrophobicContact CD1-CD1 4Å; L670-I792 HydrophobicContact CD2-CD1 4.04Å
671	W	93	Very high	93	Very high	136 Å²	136	61 Å²	61	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.3	175.3	-91.8	105.1	0	0	0	115.2	S667 K669 I680 T681	S667-W671 WeakPolarHBondContact O-CB 3.46Å; S667-W671 PolarHBondContact O-N 3.46Å; K669-W671 VanDerWaalsContact C-N 3.32Å; K669-W671 PolarHBondContact O-N 3.4Å; W671-I680 WeakPolarHBondContact CZ3-O 3.43Å; W671-T681 WeakPolarHBondContact CH2-O 3.42Å; W671-T681 WeakPolarHBondContact CZ2-O 3.43Å
672	K	91.7	Very high	92.9	Very high	172 Å²	172	57 Å²	57	75%	0.748	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	15	179.9	-66	-179.1	179.3	-172.6	0	112.6	R668 K669 L670 E674	R668-K672 WeakPolarHBondContact O-CG 3.48Å; K669-K672 CarbonylContact O-C 3.56Å; K669-K672 PolarHBondContact O-N 2.66Å; L670-K672 PolarHBondContact O-N 2.97Å; L670-K672 VanDerWaalsContact O-N 3.15Å; K672-E674 PolarHBondContact O-N 3.43Å
673	L	92.3	Very high	92.9	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.094	30%	0.299	C	S	.	.			trans	-89.9	97.4	-168.5	-168.7	158.5	0	0	0	110.5	K669 L670 L676 M765 L766	K669-L673 PolarHBondContact O-N 2.88Å; L670-L673 HydrophobicContact CD2-CD1 4.19Å; L670-L673 VanDerWaalsContact O-CB 3.24Å; L670-L673 WeakPolarHBondContact O-CB 3.29Å; L670-L673 PolarHBondContact O-N 3.38Å; L673-L676 HydrophobicContact CD2-CD1 3.75Å; L673-L676 HydrophobicContact CD2-CD2 4.11Å; L673-L676 HydrophobicContact CD2-CG 3.6Å; L673-M765 HydrophobicContact CD1-CB 4.33Å; L673-M765 HydrophobicContact CD2-CB 3.49Å; L673-M765 VanDerWaalsContact CD2-CB 3.49Å; L673-M765 HydrophobicContact CD2-CG 4.02Å; L673-M765 HydrophobicContact CG-CB 4.1Å; L673-L766 HydrophobicContact CD1-CD2 3.58Å; L673-L766 HydrophobicContact CD1-CG 3.83Å
674	E	87.6	Confident	92.9	Very high	151 Å²	151	59.3 Å²	59.3	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	153.8	179.6	-64.1	177.6	-180	0	0	112.5	K672	K672-E674 PolarHBondContact O-N 3.43Å
675	G	84.6	Confident	92.9	Very high	65 Å²	65	56.6 Å²	56.6	67%	0.67	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-0.9	174	0	0	0	0	0	116.1
676	L	90.1	Very high	92.9	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.126	29%	0.292	C	S	.	.			trans	-73.4	148.8	170.1	-66	177.4	0	0	0	111.9	L673 L678 I680 M738 L762 M765	L673-L676 HydrophobicContact CD2-CD1 3.75Å; L673-L676 HydrophobicContact CD2-CD2 4.11Å; L673-L676 HydrophobicContact CD2-CG 3.6Å; L676-L678 VanDerWaalsContact CB-O 3.31Å; L676-L678 WeakPolarHBondContact CB-O 3.34Å; L676-L678 PolarHBondContact O-N 2.99Å; L676-I680 HydrophobicContact CD1-CD1 3.9Å; L676-I680 HydrophobicContact CD1-CG1 4.03Å; L676-M738 HydrophobicContact CD1-CE 4.14Å; L676-L762 HydrophobicContact CD1-CD2 3.8Å; L676-L762 HydrophobicContact CD1-CG 4.49Å; L676-L762 HydrophobicContact CD2-CD2 4.27Å; L676-L762 HydrophobicContact CD2-CG 4.3Å; L676-M765 HydrophobicContact CD2-CG 4.42Å
677	P	87.2	Confident	92.9	Very high	93 Å²	93	56 Å²	56	60%	0.604	30%	0.296	S	S	*	.	S	Bend	trans	-66	-14.8	176.7	-23.5	33.9	0	0	0	115.9	F758	P677-F758 HydrophobicContact CB-CE1 4.13Å; P677-F758 HydrophobicContact CB-CZ 4.46Å; P677-F758 HydrophobicContact CG-CE1 4.24Å
678	L	90.8	Very high	92.9	Very high	23 Å²	23	55.8 Å²	55.8	12%	0.12	29%	0.294	C	S	.	.	S	Bend	trans	-141.3	146.2	172.7	-69.8	-179.2	0	0	0	108.1	L676 M738 E739 W744 F758	L676-L678 VanDerWaalsContact CB-O 3.31Å; L676-L678 WeakPolarHBondContact CB-O 3.34Å; L676-L678 PolarHBondContact O-N 2.99Å; L678-M738 HydrophobicContact CB-CB 4.21Å; L678-M738 HydrophobicContact CB-CE 4.04Å; L678-M738 HydrophobicContact CD1-CB 4.12Å; L678-M738 WeakPolarHBondContact O-CE 3.22Å; L678-E739 WeakPolarHBondContact CA-OE1 3.33Å; L678-E739 HydrophobicContact CB-CG 4.1Å; L678-E739 HydrophobicContact CD2-CG 3.9Å; L678-E739 WeakPolarHBondContact CD2-OE1 3.46Å; L678-E739 HydrophobicContact CG-CG 4.45Å; L678-W744 HydrophobicContact CD1-CZ2 4.23Å; L678-F758 HydrophobicContact CB-CE1 4.1Å; L678-F758 HydrophobicContact CB-CZ 4.06Å; L678-F758 HydrophobicContact CD1-CE2 4.33Å; L678-F758 HydrophobicContact CD1-CZ 3.7Å; L678-F758 HydrophobicContact CG-CE1 4.34Å; L678-F758 HydrophobicContact CG-CZ 3.83Å
679	S	90.3	Very high	92.9	Very high	58 Å²	58	49.3 Å²	49.3	41%	0.406	27%	0.269	S	S	.	.			trans	-71.1	155.9	173.7	80.4	0	0	0	0	112.6	M738 E739	S679-M738 CarbonylContact O-C 3.54Å; S679-M738 WeakPolarHBondContact O-CA 3.2Å; S679-E739 WeakPolarHBondContact CB-OE2 3.38Å; S679-E739 VanDerWaalsContact N-CD 3.25Å; S679-E739 PolarHBondContact N-OE1 3.36Å; S679-E739 PolarHBondContact O-N 2.81Å; S679-E739 VanDerWaalsContact OG-CD 3.28Å; S679-E739 PolarHBondContact OG-OE2 3.45Å
680	I	93.3	Very high	93	Very high	15 Å²	15	47 Å²	47	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.3	172.9	-63.7	175.9	0	0	0	108.4	L670 W671 L676 V683 M738 L762	L670-I680 HydrophobicContact CB-CD1 4.35Å; L670-I680 HydrophobicContact CD2-CD1 4.5Å; W671-I680 WeakPolarHBondContact CZ3-O 3.43Å; L676-I680 HydrophobicContact CD1-CD1 3.9Å; L676-I680 HydrophobicContact CD1-CG1 4.03Å; I680-V683 HydrophobicContact CG2-CG2 3.76Å; I680-M738 HydrophobicContact CG1-CE 3.9Å; I680-M738 HydrophobicContact CG1-SD 4.12Å; I680-L762 HydrophobicContact CD1-CD2 4.22Å
681	T	92.2	Very high	93	Very high	68 Å²	68	46.9 Å²	46.9	42%	0.417	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-17.3	-178	55.4	0	0	0	0	114	W671 H737 M738 E739	W671-T681 WeakPolarHBondContact CH2-O 3.42Å; W671-T681 WeakPolarHBondContact CZ2-O 3.43Å; T681-H737 PolarHBondContact N-O 3Å; T681-H737 PolarHBondContact OG1-O 3.21Å; T681-M738 PolarHBondContact OG1-O 2.94Å; T681-E739 HydrophobicContact CG2-CB 3.66Å
682	A	93.8	Very high	93.3	Very high	19 Å²	19	41.3 Å²	41.3	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	145.2	168.8	0	0	0	0	0	111.2	Q684 C736 H737	A682-Q684 HydrophobicContact CB-CG 4.28Å; A682-C736 WeakPolarHBondContact O-CA 3.3Å; A682-H737 HydrophobicContact CB-CB 4.26Å; A682-H737 PolarHBondContact O-N 2.72Å
683	V	96.3	Very high	93.5	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.085	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.8	167.2	-176.5	0	0	0	0	106.4	Y663 L670 I680 V734 I735	Y663-V683 HydrophobicContact CE2-CG1 4.45Å; Y663-V683 PolarHBondContact OH-O 2.94Å; L670-V683 HydrophobicContact CB-CG2 3.96Å; L670-V683 HydrophobicContact CD1-CG1 3.93Å; L670-V683 HydrophobicContact CD1-CG2 4.34Å; I680-V683 HydrophobicContact CG2-CG2 3.76Å; V683-V734 HydrophobicContact CG1-CG1 3.56Å; V683-I735 WeakPolarHBondContact CA-O 3.32Å
684	Q	96.6	Very high	93.7	Very high	72 Å²	72	33 Å²	33	34%	0.336	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.5	-172.4	-55.8	-175.6	-10	0	0	111.4	Y663 A682 V734 I735 P832	Y663-Q684 WeakPolarHBondContact OH-CA 3.4Å; A682-Q684 HydrophobicContact CB-CG 4.28Å; Q684-V734 CarbonylContact O-C 3.55Å; Q684-V734 WeakPolarHBondContact O-CA 3.14Å; Q684-I735 PolarHBondContact N-O 2.73Å; Q684-I735 PolarHBondContact O-N 3.23Å; Q684-P832 HydrophobicContact CB-CB 3.93Å
685	G	95.9	Very high	94.1	Very high	10 Å²	10	25.8 Å²	25.8	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.8	173.4	0	0	0	0	0	111.7	Y663 L690 P832 T835	Y663-G685 PolarHBondContact OH-N 3.25Å; Y663-G685 VanDerWaalsContact OH-N 3.08Å; G685-L690 VanDerWaalsContact CA-CD1 3.49Å; G685-P832 WeakPolarHBondContact O-CA 3.25Å; G685-T835 VanDerWaalsContact O-CB 3.3Å; G685-T835 WeakPolarHBondContact O-CB 3.41Å; G685-T835 WeakPolarHBondContact O-CG2 3.36Å
686	A	95.9	Very high	94.6	Very high	9 Å²	9	23.5 Å²	23.5	7%	0.074	14%	0.139	C	C	.	.			trans	-115.3	-7.4	175.9	0	0	0	0	0	113.7	T733 I735 K831 P832	A686-T733 HydrophobicContact CB-CG2 4.25Å; A686-T733 PolarHBondContact N-O 3.06Å; A686-I735 HydrophobicContact CB-CG1 4.16Å; A686-K831 HydrophobicContact CB-CB 4.37Å; A686-P832 HydrophobicContact CB-CG 4.18Å
687	H	96.9	Very high	94.8	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.079	14%	0.135	C	C	.	.	S	Bend	trans	-86.7	139.2	-171.5	-165.1	-98	0	0	0	112.9	A689 L690 Q694 I732	H687-A689 WeakPolarHBondContact ND1-CB 3.38Å; H687-A689 PolarHBondContact ND1-N 3.44Å; H687-A689 PolarHBondContact O-N 3.01Å; H687-A689 VanDerWaalsContact O-N 3.12Å; H687-L690 HydrophobicContact CB-CD1 4.38Å; H687-L690 WeakPolarHBondContact O-CB 3.48Å; H687-L690 PolarHBondContact O-N 3.05Å; H687-Q694 PolarHBondContact CE1-OE1 3.06Å; H687-I732 HydrophobicContact CB-CG2 4.01Å
688	P	96.6	Very high	95	Very high	13 Å²	13	18.7 Å²	18.7	8%	0.084	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30	-177.7	-24.1	32.7	0	0	0	114.6	L690 R691 Y692 T693 Q694	P688-L690 PolarHBondContact O-N 2.56Å; P688-R691 CarbonylContact O-C 3.55Å; P688-R691 WeakPolarHBondContact O-CG 3.46Å; P688-R691 PolarHBondContact O-N 3.05Å; P688-Y692 PolarHBondContact O-N 3.18Å; P688-T693 PolarHBondContact O-N 2.79Å; P688-Q694 HydrophobicContact CB-CB 4.28Å
689	A	95.9	Very high	94.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.5	175.7	0	0	0	0	0	113.1	V659 H687 R691 Y692 Q694 P698	V659-A689 HydrophobicContact CG1-CB 3.97Å; H687-A689 WeakPolarHBondContact ND1-CB 3.38Å; H687-A689 PolarHBondContact ND1-N 3.44Å; H687-A689 PolarHBondContact O-N 3.01Å; H687-A689 VanDerWaalsContact O-N 3.12Å; A689-R691 PolarHBondContact O-N 3.11Å; A689-Y692 PolarHBondContact O-N 2.79Å; A689-Y692 VanDerWaalsContact O-N 3.13Å; A689-Q694 HydrophobicContact CB-CB 4.01Å; A689-P698 HydrophobicContact CB-CG 4.41Å
690	L	97.1	Very high	94.9	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.037	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-73.9	-11.6	179	-62.1	172.1	0	0	0	113	V659 V660 Y663 G685 H687 P688 I732 T835 H839	V659-L690 HydrophobicContact CG1-CD2 3.83Å; V660-L690 HydrophobicContact CG2-CD2 4.16Å; Y663-L690 HydrophobicContact CD1-CD2 4.11Å; Y663-L690 HydrophobicContact CD2-CD1 3.89Å; Y663-L690 HydrophobicContact CD2-CD2 4.28Å; Y663-L690 HydrophobicContact CE2-CD1 4.22Å; Y663-L690 HydrophobicContact CG-CD1 4.08Å; Y663-L690 HydrophobicContact CG-CD2 3.69Å; G685-L690 VanDerWaalsContact CA-CD1 3.49Å; H687-L690 HydrophobicContact CB-CD1 4.38Å; H687-L690 WeakPolarHBondContact O-CB 3.48Å; H687-L690 PolarHBondContact O-N 3.05Å; P688-L690 PolarHBondContact O-N 2.56Å; L690-I732 HydrophobicContact CD1-CG2 3.97Å; L690-I732 HydrophobicContact CD2-CG2 4.38Å; L690-I732 HydrophobicContact CG-CG2 4.15Å; L690-T835 HydrophobicContact CB-CG2 4.03Å; L690-H839 PolarHBondContact O-ND1 2.91Å
691	R	96.1	Very high	94.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-113.8	17.2	170.5	59.7	171.9	-174.2	-103.6	11.4	113	P688 A689 T693 T835 L838 H839 D871 D874	P688-R691 CarbonylContact O-C 3.55Å; P688-R691 WeakPolarHBondContact O-CG 3.46Å; P688-R691 PolarHBondContact O-N 3.05Å; A689-R691 PolarHBondContact O-N 3.11Å; R691-T693 HydrophobicContact CG-CG2 4.22Å; R691-T693 PolarHBondContact NE-OG1 3.44Å; R691-T693 WeakPolarHBondContact O-CG2 3.47Å; R691-T693 PolarHBondContact O-N 2.76Å; R691-T835 HydrophobicContact CB-CG2 4.16Å; R691-T835 HydrophobicContact CG-CG2 4.27Å; R691-T835 PolarHBondContact NH1-OG1 3.3Å; R691-L838 HydrophobicContact CB-CB 4.24Å; R691-H839 HydrophobicContact CB-CB 4.34Å; R691-D871 IonicContact CZ-OD1 3.64Å; R691-D871 IonicContact NH1-OD1 3.67Å; R691-D871 IonicContact NH2-OD1 3.13Å; R691-D871 PolarHBondContact NH2-OD1 3.11Å; R691-D874 IonicContact CZ-OD2 2.7Å; R691-D874 VanDerWaalsContact CZ-OD2 3.23Å; R691-D874 IonicContact NE-OD2 3.34Å; R691-D874 PolarHBondContact NE-OD2 3.13Å; R691-D874 IonicContact NH2-OD2 3.5Å; R691-D874 PolarHBondContact NH2-OD2 3.23Å
692	Y	97.4	Very high	94.5	Very high	19 Å²	19	19.6 Å²	19.6	8%	0.075	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	11.7	178.5	-60.5	-108.2	0	0	0	115.9	L657 V660 P688 A689 H839 Q842 G849 R853	L657-Y692 HydrophobicContact CB-CE1 4.23Å; L657-Y692 WeakPolarHBondContact CD1-OH 3.45Å; V660-Y692 HydrophobicContact CG2-CE2 4.08Å; P688-Y692 PolarHBondContact O-N 3.18Å; A689-Y692 PolarHBondContact O-N 2.79Å; A689-Y692 VanDerWaalsContact O-N 3.13Å; Y692-H839 AromaticContact CE2-CE1 3.91Å; Y692-Q842 HydrophobicContact CD1-CG 4.4Å; Y692-Q842 HydrophobicContact CD2-CB 4.37Å; Y692-Q842 HydrophobicContact CD2-CG 3.65Å; Y692-Q842 HydrophobicContact CE2-CG 4.26Å; Y692-Q842 HydrophobicContact CG-CG 3.75Å; Y692-G849 WeakPolarHBondContact O-CA 3.48Å; Y692-R853 WeakPolarHBondContact O-CD 3.3Å
693	T	97.4	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.			trans	-105.2	8.6	-174.7	73.8	0	0	0	0	115.3	P688 R691 V695 F848 C852 K856 D874	P688-T693 PolarHBondContact O-N 2.79Å; R691-T693 HydrophobicContact CG-CG2 4.22Å; R691-T693 PolarHBondContact NE-OG1 3.44Å; R691-T693 WeakPolarHBondContact O-CG2 3.47Å; R691-T693 PolarHBondContact O-N 2.76Å; T693-V695 PolarHBondContact O-N 2.88Å; T693-F848 HydrophobicContact CG2-CE1 3.77Å; T693-F848 HydrophobicContact CG2-CZ 4.2Å; T693-C852 HydrophobicContact CG2-CB 3.69Å; T693-K856 WeakPolarHBondContact O-CD 3.27Å; T693-K856 PolarHBondContact O-NZ 3.43Å; T693-K856 PolarHBondContact OG1-NZ 2.88Å; T693-K856 VanDerWaalsContact OG1-NZ 3.11Å; T693-D874 WeakPolarHBondContact CB-OD1 3.47Å; T693-D874 WeakPolarHBondContact CG2-OD1 3.15Å; T693-D874 VanDerWaalsContact OG1-CG 3.23Å; T693-D874 PolarHBondContact OG1-OD1 2.99Å; T693-D874 VanDerWaalsContact OG1-OD1 3.06Å; T693-D874 PolarHBondContact OG1-OD2 3.03Å
694	Q	96.2	Very high	94	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.075	11%	0.105	C	C	.	.			trans	-71.1	125.7	172.2	-166.9	69.2	58.2	0	0	110.3	H687 P688 A689 F696 P697 R853 E870	H687-Q694 PolarHBondContact CE1-OE1 3.06Å; P688-Q694 HydrophobicContact CB-CB 4.28Å; A689-Q694 HydrophobicContact CB-CB 4.01Å; Q694-F696 VanDerWaalsContact C-N 3.27Å; Q694-F696 WeakPolarHBondContact CG-O 3.29Å; Q694-F696 PolarHBondContact O-N 3.37Å; Q694-P697 HydrophobicContact CB-CG 4.5Å; Q694-P697 WeakPolarHBondContact O-CD 3.34Å; Q694-R853 WeakPolarHBondContact O-CD 3.41Å; Q694-R853 WeakPolarHBondContact O-CG 3.38Å; Q694-R853 PolarHBondContact O-NE 3.26Å; Q694-E870 PolarHBondContact NE2-OE1 3.46Å
695	V	95.6	Very high	93.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-52.4	-44.7	-175	-170.1	0	0	0	0	113.1	I642 T693 R853 K856 R857 Y1076	I642-V695 HydrophobicContact CG2-CG1 4.27Å; T693-V695 PolarHBondContact O-N 2.88Å; V695-R853 VanDerWaalsContact O-CZ 3.28Å; V695-R853 PolarHBondContact O-NE 2.83Å; V695-R853 PolarHBondContact O-NH2 2.96Å; V695-K856 HydrophobicContact CG2-CB 3.38Å; V695-K856 HydrophobicContact CG2-CD 3.94Å; V695-K856 HydrophobicContact CG2-CG 4.33Å; V695-R857 HydrophobicContact CG1-CB 3.86Å; V695-R857 HydrophobicContact CG1-CG 4.38Å; V695-Y1076 HydrophobicContact CB-CD1 4.48Å; V695-Y1076 HydrophobicContact CB-CD2 4.44Å; V695-Y1076 HydrophobicContact CB-CE1 3.96Å; V695-Y1076 HydrophobicContact CB-CE2 3.9Å; V695-Y1076 HydrophobicContact CG1-CD2 4.29Å; V695-Y1076 HydrophobicContact CG1-CE2 4.16Å; V695-Y1076 HydrophobicContact CG2-CE1 4.3Å; V695-Y1076 HydrophobicContact CG2-CE2 3.61Å; V695-Y1076 VanDerWaalsContact CG2-CZ 3.49Å; V695-Y1076 WeakPolarHBondContact CG2-OH 3.4Å
696	F	94.6	Very high	93.3	Very high	16 Å²	16	24.2 Å²	24.2	7%	0.07	13%	0.126	C	C	.	.	S	Bend	trans	-127.1	102.2	169.1	-58.9	-78.5	0	0	0	107.7	V641 T644 Q694 H1021 Y1076	V641-F696 WeakPolarHBondContact O-CZ 3.15Å; T644-F696 HydrophobicContact CG2-CD1 3.86Å; Q694-F696 VanDerWaalsContact C-N 3.27Å; Q694-F696 WeakPolarHBondContact CG-O 3.29Å; Q694-F696 PolarHBondContact O-N 3.37Å; F696-H1021 HydrophobicContact CD1-CB 4.34Å; F696-H1021 AromaticContact CD1-CD2 3.31Å; F696-H1021 WeakPolarHBondContact CD1-CD2 3.29Å; F696-H1021 AromaticContact CD1-CG 3.87Å; F696-H1021 AromaticContact CD1-NE2 3.7Å; F696-H1021 HydrophobicContact CD2-CB 3.91Å; F696-H1021 AromaticContact CD2-CG 3.92Å; F696-H1021 HydrophobicContact CE1-CB 4.09Å; F696-H1021 AromaticContact CE1-CD2 3.6Å; F696-H1021 HydrophobicContact CE2-CB 3.66Å; F696-H1021 HydrophobicContact CG-CB 4.25Å; F696-H1021 AromaticContact CG-CD2 3.64Å; F696-H1021 AromaticContact CG-CG 3.79Å; F696-H1021 HydrophobicContact CZ-CB 3.74Å; F696-Y1076 AromaticContact CD2-CD1 3.67Å; F696-Y1076 HydrophobicContact CD2-CD1 3.67Å; F696-Y1076 HydrophobicContact CD2-CE1 4.3Å; F696-Y1076 HydrophobicContact CD2-CG 4.03Å; F696-Y1076 HydrophobicContact CE2-CD1 4.04Å; F696-Y1076 AromaticContact CE2-CG 3.89Å; F696-Y1076 HydrophobicContact CE2-CG 3.89Å
697	P	93.9	Very high	93.1	Very high	4 Å²	4	24 Å²	24	3%	0.026	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-62.8	152.2	-178.7	-24.6	35.2	0	0	0	112.4	E655 S656 Q694 E699	E655-P697 HydrophobicContact CB-CB 4.03Å; S656-P697 VanDerWaalsContact OG-CG 3.24Å; S656-P697 WeakPolarHBondContact OG-CG 3.46Å; Q694-P697 HydrophobicContact CB-CG 4.5Å; Q694-P697 WeakPolarHBondContact O-CD 3.34Å; P697-E699 PolarHBondContact O-N 3.31Å
698	P	92.3	Very high	92.9	Very high	13 Å²	13	24 Å²	24	8%	0.084	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-61.3	118.6	175.6	-22.6	33.5	0	0	0	112.2	V659 A689 T730 I732 L788	V659-P698 HydrophobicContact CG2-CB 4.1Å; V659-P698 HydrophobicContact CG2-CG 4.4Å; V659-P698 VanDerWaalsContact CG2-O 3.31Å; V659-P698 WeakPolarHBondContact CG2-O 3.38Å; A689-P698 HydrophobicContact CB-CG 4.41Å; P698-T730 HydrophobicContact CG-CG2 4.43Å; P698-I732 HydrophobicContact CB-CD1 4.46Å; P698-I732 HydrophobicContact CG-CD1 4.43Å; P698-I732 HydrophobicContact CG-CG1 4.08Å; P698-L788 HydrophobicContact CB-CD2 3.94Å
699	E	89.2	Confident	92.6	Very high	35 Å²	35	27.9 Å²	27.9	16%	0.164	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-79.4	136.7	170.2	-70.9	165.6	-174.2	0	0	109.5	E655 P697 V701 R1020	E655-E699 HydrophobicContact CG-CG 4.31Å; P697-E699 PolarHBondContact O-N 3.31Å; E699-V701 HydrophobicContact CB-CG1 4.49Å; E699-V701 WeakPolarHBondContact O-CG1 3.12Å; E699-V701 PolarHBondContact O-N 2.97Å; E699-R1020 IonicContact OE1-CZ 3.86Å; E699-R1020 IonicContact OE1-NH1 3.94Å; E699-R1020 PolarHBondContact OE1-NH1 3.35Å; E699-R1020 IonicContact OE1-NH2 2.72Å; E699-R1020 PolarHBondContact OE1-NH2 3.08Å; E699-R1020 IonicContact OE2-CZ 3.59Å; E699-R1020 VanDerWaalsContact OE2-CZ 3.29Å; E699-R1020 IonicContact OE2-NH1 2.73Å; E699-R1020 PolarHBondContact OE2-NH1 2.79Å; E699-R1020 IonicContact OE2-NH2 2.85Å; E699-R1020 PolarHBondContact OE2-NH2 3.1Å
700	P	89.5	Confident	92.1	Very high	47 Å²	47	34.9 Å²	34.9	31%	0.305	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-62.6	119.8	165.9	-23.7	35.1	0	0	0	110.7	L658 L788	L658-P700 HydrophobicContact CD1-CG 4.39Å; P700-L788 HydrophobicContact CB-CD2 4.47Å; P700-L788 HydrophobicContact CB-CG 4.41Å; P700-L788 HydrophobicContact CG-CD1 4.38Å; P700-L788 HydrophobicContact CG-CD2 4.16Å; P700-L788 HydrophobicContact CG-CG 4.21Å
701	V	88.7	Confident	91.4	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.042	19%	0.185	C	C	.	.			trans	-116.4	166.3	-178.1	-54.6	0	0	0	0	113.6	E699 L703 L729 W784 G787 V1034	E699-V701 HydrophobicContact CB-CG1 4.49Å; E699-V701 WeakPolarHBondContact O-CG1 3.12Å; E699-V701 PolarHBondContact O-N 2.97Å; V701-L703 HydrophobicContact CG2-CD2 4.48Å; V701-L729 HydrophobicContact CG2-CD2 3.59Å; V701-W784 HydrophobicContact CG2-CH2 4.04Å; V701-G787 PolarHBondContact N-O 3.29Å; V701-G787 VanDerWaalsContact O-CA 3.23Å; V701-G787 WeakPolarHBondContact O-CA 3.42Å; V701-V1034 HydrophobicContact CB-CG1 3.94Å; V701-V1034 HydrophobicContact CB-CG2 4.2Å; V701-V1034 HydrophobicContact CG1-CG1 4.21Å; V701-V1034 HydrophobicContact CG1-CG2 4.48Å; V701-V1034 HydrophobicContact CG2-CG2 4.31Å
702	R	88.6	Confident	90.2	Very high	94 Å²	94	48.8 Å²	48.8	36%	0.355	23%	0.228	S	C	.	.			trans	-130.6	133.6	176.9	170.1	158.8	-155	-136.6	-0.8	111.2	V1034 M1035 G1038 D1040	R702-V1034 CarbonylContact O-C 3.58Å; R702-V1034 WeakPolarHBondContact O-CA 3.45Å; R702-M1035 HydrophobicContact CG-CB 4.24Å; R702-M1035 HydrophobicContact CG-SD 4.45Å; R702-M1035 PolarHBondContact O-N 3.1Å; R702-G1038 WeakPolarHBondContact CB-O 3.42Å; R702-G1038 WeakPolarHBondContact CD-O 3.36Å; R702-D1040 WeakPolarHBondContact CA-OD2 3.43Å; R702-D1040 WeakPolarHBondContact CD-OD1 3.35Å; R702-D1040 WeakPolarHBondContact CG-OD1 3.49Å; R702-D1040 WeakPolarHBondContact CG-OD2 3.35Å; R702-D1040 IonicContact CZ-OD1 2.98Å; R702-D1040 IonicContact NE-OD1 3.75Å; R702-D1040 PolarHBondContact NE-OD1 2.87Å; R702-D1040 IonicContact NH2-OD1 3.76Å
703	L	89.3	Confident	88.9	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-94.3	126	-160.9	-59.2	164.9	0	0	0	112.4	V701 Y705 L717 W784 D1040 P1047	V701-L703 HydrophobicContact CG2-CD2 4.48Å; L703-Y705 HydrophobicContact CB-CD1 4.27Å; L703-Y705 HydrophobicContact CB-CE1 4.1Å; L703-Y705 HydrophobicContact CD1-CE1 4.27Å; L703-Y705 PolarHBondContact O-N 2.83Å; L703-Y705 VanDerWaalsContact O-N 3.1Å; L703-L717 HydrophobicContact CD1-CD1 4.03Å; L703-W784 HydrophobicContact CD1-CH2 4.32Å; L703-W784 HydrophobicContact CD1-CZ2 3.85Å; L703-W784 HydrophobicContact CG-CH2 4.48Å; L703-W784 HydrophobicContact CG-CZ2 4.22Å; L703-D1040 PolarHBondContact N-OD2 2.68Å; L703-D1040 VanDerWaalsContact N-OD2 3.11Å; L703-P1047 HydrophobicContact CD1-CB 3.79Å; L703-P1047 HydrophobicContact CD1-CG 4.41Å; L703-P1047 HydrophobicContact CD2-CB 4.29Å
704	D	90.1	Very high	87.3	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.241	28%	0.281	C	S	.	.			trans	-77.8	92.1	165	172.5	15.1	0	0	0	109.3	S706 F707 F708 G1033 M1035	D704-S706 VanDerWaalsContact CG-OG 3.29Å; D704-S706 PolarHBondContact O-N 3.21Å; D704-S706 VanDerWaalsContact OD1-CB 3.27Å; D704-S706 WeakPolarHBondContact OD1-CB 3.39Å; D704-S706 PolarHBondContact OD1-N 3.3Å; D704-S706 PolarHBondContact OD1-OG 3.19Å; D704-S706 PolarHBondContact OD2-OG 3.14Å; D704-F707 VanDerWaalsContact O-CB 3.26Å; D704-F707 WeakPolarHBondContact O-CB 3.1Å; D704-F707 PolarHBondContact O-N 2.83Å; D704-F708 VanDerWaalsContact O-CD2 3.29Å; D704-F708 WeakPolarHBondContact O-CD2 3.37Å; D704-G1033 PolarHBondContact N-O 2.89Å; D704-M1035 HydrophobicContact CB-CG 4.14Å
705	Y	88.5	Confident	86.5	Confident	67 Å²	67	64.8 Å²	64.8	26%	0.263	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.4	177.9	-63.7	-49.8	0	0	0	114.8	L703 F707 L717 A1045	L703-Y705 HydrophobicContact CB-CD1 4.27Å; L703-Y705 HydrophobicContact CB-CE1 4.1Å; L703-Y705 HydrophobicContact CD1-CE1 4.27Å; L703-Y705 PolarHBondContact O-N 2.83Å; L703-Y705 VanDerWaalsContact O-N 3.1Å; Y705-F707 VanDerWaalsContact C-N 3.31Å; Y705-L717 HydrophobicContact CD1-CD1 3.77Å; Y705-L717 HydrophobicContact CD1-CD2 3.81Å; Y705-L717 HydrophobicContact CD1-CG 4.38Å; Y705-L717 HydrophobicContact CE1-CD1 3.93Å; Y705-L717 HydrophobicContact CE1-CD2 4.24Å; Y705-A1045 HydrophobicContact CD1-CB 4.37Å; Y705-A1045 HydrophobicContact CE1-CB 3.75Å; Y705-A1045 PolarHBondContact OH-N 3.11Å
706	S	89.6	Confident	86.1	Confident	90 Å²	90	67.5 Å²	67.5	63%	0.629	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.5	174.9	80.6	0	0	0	0	113.5	D704	D704-S706 VanDerWaalsContact CG-OG 3.29Å; D704-S706 PolarHBondContact O-N 3.21Å; D704-S706 VanDerWaalsContact OD1-CB 3.27Å; D704-S706 WeakPolarHBondContact OD1-CB 3.39Å; D704-S706 PolarHBondContact OD1-N 3.3Å; D704-S706 PolarHBondContact OD1-OG 3.19Å; D704-S706 PolarHBondContact OD2-OG 3.14Å
707	F	91.8	Very high	86	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.018	32%	0.322	C	S	.	.	S	Bend	trans	-76.9	-26.8	176.7	-166.4	-90.9	0	0	0	113	D704 Y705 K720 K723 P724 P726 S1031	D704-F707 VanDerWaalsContact O-CB 3.26Å; D704-F707 WeakPolarHBondContact O-CB 3.1Å; D704-F707 PolarHBondContact O-N 2.83Å; Y705-F707 VanDerWaalsContact C-N 3.31Å; F707-K720 WeakPolarHBondContact O-CB 3.32Å; F707-K723 HydrophobicContact CD2-CD 4.19Å; F707-K723 HydrophobicContact CE1-CB 4.08Å; F707-K723 HydrophobicContact CE2-CB 4.29Å; F707-K723 HydrophobicContact CE2-CD 4.04Å; F707-K723 HydrophobicContact CE2-CG 4.49Å; F707-K723 HydrophobicContact CZ-CB 3.85Å; F707-K723 HydrophobicContact CZ-CD 4.46Å; F707-K723 HydrophobicContact CZ-CG 4.46Å; F707-P724 HydrophobicContact CZ-CB 4.43Å; F707-P724 WeakPolarHBondContact CZ-O 3.48Å; F707-P726 HydrophobicContact CE1-CG 4.23Å; F707-S1031 WeakPolarHBondContact CE2-O 3.34Å; F707-S1031 WeakPolarHBondContact CZ-O 3.23Å
708	F	91.9	Very high	85.9	Confident	17 Å²	17	70.1 Å²	70.1	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	163.1	-171.2	-58.9	-90.4	0	0	0	112.2	D704 L717 V718 P726 V1048	D704-F708 VanDerWaalsContact O-CD2 3.29Å; D704-F708 WeakPolarHBondContact O-CD2 3.37Å; F708-L717 HydrophobicContact CB-CB 4.02Å; F708-L717 HydrophobicContact CB-CD1 4.41Å; F708-L717 HydrophobicContact CB-CD2 4.18Å; F708-L717 HydrophobicContact CB-CG 4.44Å; F708-L717 HydrophobicContact CD1-CB 3.98Å; F708-L717 HydrophobicContact CD1-CD1 4.39Å; F708-L717 HydrophobicContact CD2-CD1 3.81Å; F708-L717 HydrophobicContact CE2-CD1 4.13Å; F708-L717 HydrophobicContact CG-CB 4Å; F708-L717 HydrophobicContact CG-CD1 3.96Å; F708-L717 HydrophobicContact CG-CG 4.42Å; F708-V718 WeakPolarHBondContact CA-O 3.35Å; F708-P726 HydrophobicContact CD1-CG 4.44Å; F708-P726 HydrophobicContact CE1-CB 3.77Å; F708-P726 HydrophobicContact CE1-CG 3.71Å; F708-P726 HydrophobicContact CZ-CB 4.11Å; F708-P726 HydrophobicContact CZ-CG 4.45Å; F708-V1048 HydrophobicContact CD1-CG2 3.93Å; F708-V1048 HydrophobicContact CE1-CB 4.43Å; F708-V1048 HydrophobicContact CE1-CG2 3.82Å
709	E	90.3	Very high	85.8	Confident	96 Å²	96	71.8 Å²	71.8	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	158	159.1	-50.7	-137.9	141.7	0	0	109.6	L717 V718 K720	E709-L717 WeakPolarHBondContact O-CA 3.36Å; E709-V718 HydrophobicContact CB-CB 4.46Å; E709-V718 PolarHBondContact N-O 3.04Å; E709-V718 PolarHBondContact O-N 2.83Å; E709-K720 HydrophobicContact CG-CB 3.79Å; E709-K720 HydrophobicContact CG-CD 4.11Å; E709-K720 HydrophobicContact CG-CG 3.75Å; E709-K720 WeakPolarHBondContact OE1-CE 3.46Å; E709-K720 IonicContact OE1-NZ 3.58Å; E709-K720 PolarHBondContact OE1-NZ 3.13Å
710	R	85.6	Confident	85.8	Confident	146 Å²	146	74.2 Å²	74.2	55%	0.551	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.8	-178.6	-76.1	-179.6	169.9	-172.6	-4.9	110.5	K712 L717	R710-K712 PolarHBondContact O-N 3.49Å; R710-L717 HydrophobicContact CG-CD2 3.88Å
711	E	82.8	Confident	85.5	Confident	89 Å²	89	81 Å²	81	42%	0.416	39%	0.388	S	S	.	.			trans	-70.1	124	173.1	-166	-174	-141.3	0	0	110.3	T713 C714 R715 F716	E711-T713 VanDerWaalsContact C-N 3.3Å; E711-T713 PolarHBondContact O-N 2.77Å; E711-C714 WeakPolarHBondContact OE2-CB 3.39Å; E711-R715 PolarHBondContact O-N 2.74Å; E711-F716 HydrophobicContact CB-CB 4.34Å; E711-F716 PolarHBondContact N-O 3.33Å
712	K	71.3	Confident	85.3	Confident	210 Å²	210	84.7 Å²	84.7	91%	0.913	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-27	-169.3	-64.7	177.5	-178.3	172.9	0	113.9	R710	R710-K712 PolarHBondContact O-N 3.49Å
713	T	69.3	Low	85.4	Confident	110 Å²	110	84.1 Å²	84.1	68%	0.675	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-53.5	-176.8	38.9	0	0	0	0	111.9	E711	E711-T713 VanDerWaalsContact C-N 3.3Å; E711-T713 PolarHBondContact O-N 2.77Å
714	C	65	Low	85.5	Confident	75 Å²	75	85 Å²	85	51%	0.507	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	4.9	-162	-60.2	0	0	0	0	114.8	E711 F716	E711-C714 WeakPolarHBondContact OE2-CB 3.39Å; C714-F716 VanDerWaalsContact C-N 3.27Å; C714-F716 HydrophobicContact CB-CD2 3.53Å; C714-F716 HydrophobicContact CB-CE2 3.76Å; C714-F716 WeakPolarHBondContact O-CD2 3.17Å; C714-F716 PolarHBondContact O-N 3.26Å
715	R	78.6	Confident	85.7	Confident	187 Å²	187	83.1 Å²	83.1	71%	0.706	42%	0.424	S	S	*	.			trans	60.5	25.3	-179	-53.4	-176.4	177.8	-170.9	1.2	115.1	E711 A1045 F1046	E711-R715 PolarHBondContact O-N 2.74Å; R715-A1045 CarbonylContact O-C 3.38Å; R715-A1045 WeakPolarHBondContact O-CA 3.47Å; R715-A1045 VanDerWaalsContact O-CB 3.24Å; R715-A1045 WeakPolarHBondContact O-CB 3.33Å; R715-F1046 PolarHBondContact O-N 2.98Å
716	F	88.4	Confident	85.9	Confident	57 Å²	57	80.2 Å²	80.2	25%	0.25	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-77.8	150.3	170.6	-74.4	-99	0	0	0	111.4	E711 C714 S775 F1046	E711-F716 HydrophobicContact CB-CB 4.34Å; E711-F716 PolarHBondContact N-O 3.33Å; C714-F716 VanDerWaalsContact C-N 3.27Å; C714-F716 HydrophobicContact CB-CD2 3.53Å; C714-F716 HydrophobicContact CB-CE2 3.76Å; C714-F716 WeakPolarHBondContact O-CD2 3.17Å; C714-F716 PolarHBondContact O-N 3.26Å; F716-S775 WeakPolarHBondContact CE1-OG 3.27Å; F716-S775 WeakPolarHBondContact CZ-OG 3.4Å; F716-F1046 HydrophobicContact CD1-CB 3.8Å; F716-F1046 AromaticContact CD1-CD1 3.61Å; F716-F1046 HydrophobicContact CD1-CD1 3.61Å; F716-F1046 HydrophobicContact CD1-CG 4.05Å; F716-F1046 HydrophobicContact CE1-CB 3.82Å; F716-F1046 AromaticContact CE1-CD1 3.33Å; F716-F1046 HydrophobicContact CE1-CD1 3.33Å; F716-F1046 HydrophobicContact CE1-CE1 4.08Å; F716-F1046 AromaticContact CE1-CG 3.7Å; F716-F1046 HydrophobicContact CE1-CG 3.7Å; F716-F1046 HydrophobicContact CG-CB 4.29Å; F716-F1046 HydrophobicContact CZ-CB 4.32Å; F716-F1046 HydrophobicContact CZ-CD1 4.35Å; F716-F1046 HydrophobicContact CZ-CG 4.35Å
717	L	91.3	Very high	86	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.042	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.2	166.8	-59	-173.3	0	0	0	110	L703 Y705 F708 E709 R710 A1045 F1046 V1048	L703-L717 HydrophobicContact CD1-CD1 4.03Å; Y705-L717 HydrophobicContact CD1-CD1 3.77Å; Y705-L717 HydrophobicContact CD1-CD2 3.81Å; Y705-L717 HydrophobicContact CD1-CG 4.38Å; Y705-L717 HydrophobicContact CE1-CD1 3.93Å; Y705-L717 HydrophobicContact CE1-CD2 4.24Å; F708-L717 HydrophobicContact CB-CB 4.02Å; F708-L717 HydrophobicContact CB-CD1 4.41Å; F708-L717 HydrophobicContact CB-CD2 4.18Å; F708-L717 HydrophobicContact CB-CG 4.44Å; F708-L717 HydrophobicContact CD1-CB 3.98Å; F708-L717 HydrophobicContact CD1-CD1 4.39Å; F708-L717 HydrophobicContact CD2-CD1 3.81Å; F708-L717 HydrophobicContact CE2-CD1 4.13Å; F708-L717 HydrophobicContact CG-CB 4Å; F708-L717 HydrophobicContact CG-CD1 3.96Å; F708-L717 HydrophobicContact CG-CG 4.42Å; E709-L717 WeakPolarHBondContact O-CA 3.36Å; R710-L717 HydrophobicContact CG-CD2 3.88Å; L717-A1045 HydrophobicContact CD2-CB 3.64Å; L717-A1045 HydrophobicContact CG-CB 4.02Å; L717-F1046 PolarHBondContact N-O 3.4Å; L717-V1048 HydrophobicContact CB-CG2 4.36Å; L717-V1048 WeakPolarHBondContact O-CG2 3.47Å
718	V	91.3	Very high	86.1	Confident	66 Å²	66	79.7 Å²	79.7	40%	0.4	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.4	179.3	-175.9	0	0	0	0	109	F708 E709 K720	F708-V718 WeakPolarHBondContact CA-O 3.35Å; E709-V718 HydrophobicContact CB-CB 4.46Å; E709-V718 PolarHBondContact N-O 3.04Å; E709-V718 PolarHBondContact O-N 2.83Å; V718-K720 PolarHBondContact O-N 3.49Å
719	P	90.6	Very high	86.1	Confident	48 Å²	48	79.6 Å²	79.6	31%	0.312	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	131.9	174.4	-21	32.7	0	0	0	111	P726 V1048 Y1051	P719-P726 HydrophobicContact CB-CG 4.12Å; P719-P726 HydrophobicContact CG-CG 4.22Å; P719-V1048 HydrophobicContact CG-CG1 4.08Å; P719-V1048 HydrophobicContact CG-CG2 4.01Å; P719-Y1051 HydrophobicContact CG-CD1 4.41Å; P719-Y1051 HydrophobicContact CG-CE1 4.24Å
720	K	88.9	Confident	86.3	Confident	87 Å²	87	76.5 Å²	76.5	38%	0.378	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-88.9	136.7	-179.4	-174.5	173.1	-177.8	103.2	0	111.7	F707 E709 V718 K723	F707-K720 WeakPolarHBondContact O-CB 3.32Å; E709-K720 HydrophobicContact CG-CB 3.79Å; E709-K720 HydrophobicContact CG-CD 4.11Å; E709-K720 HydrophobicContact CG-CG 3.75Å; E709-K720 WeakPolarHBondContact OE1-CE 3.46Å; E709-K720 IonicContact OE1-NZ 3.58Å; E709-K720 PolarHBondContact OE1-NZ 3.13Å; V718-K720 PolarHBondContact O-N 3.49Å; K720-K723 HydrophobicContact CB-CG 4.03Å; K720-K723 HydrophobicContact CG-CG 4.42Å; K720-K723 WeakPolarHBondContact O-CB 3.36Å; K720-K723 PolarHBondContact O-N 3.48Å
721	E	83.9	Confident	86.8	Confident	189 Å²	189	70 Å²	70	88%	0.883	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	143.1	176.9	-166.8	176.3	-172.4	0	0	112	K723	E721-K723 PolarHBondContact O-N 3.01Å; E721-K723 VanDerWaalsContact O-N 3.16Å
722	G	84.1	Confident	87.5	Confident	84 Å²	84	65.7 Å²	65.7	87%	0.866	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-8.8	-178.4	0	0	0	0	0	115.7
723	K	90.8	Very high	88.7	Confident	83 Å²	83	57.1 Å²	57.1	36%	0.361	31%	0.309	S	S	.	.	S	Bend	trans	-81.4	157.3	170	-65.6	-71.8	-171.3	166	0	111.3	F707 K720 E721	F707-K723 HydrophobicContact CD2-CD 4.19Å; F707-K723 HydrophobicContact CE1-CB 4.08Å; F707-K723 HydrophobicContact CE2-CB 4.29Å; F707-K723 HydrophobicContact CE2-CD 4.04Å; F707-K723 HydrophobicContact CE2-CG 4.49Å; F707-K723 HydrophobicContact CZ-CB 3.85Å; F707-K723 HydrophobicContact CZ-CD 4.46Å; F707-K723 HydrophobicContact CZ-CG 4.46Å; K720-K723 HydrophobicContact CB-CG 4.03Å; K720-K723 HydrophobicContact CG-CG 4.42Å; K720-K723 WeakPolarHBondContact O-CB 3.36Å; K720-K723 PolarHBondContact O-N 3.48Å; E721-K723 PolarHBondContact O-N 3.01Å; E721-K723 VanDerWaalsContact O-N 3.16Å
724	P	92.6	Very high	90.1	Very high	27 Å²	27	51.9 Å²	51.9	18%	0.175	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-57.3	159.5	163.6	-21.5	33.5	0	0	0	111.5	F707 F1030	F707-P724 HydrophobicContact CZ-CB 4.43Å; F707-P724 WeakPolarHBondContact CZ-O 3.48Å; P724-F1030 HydrophobicContact CB-CB 4.09Å; P724-F1030 HydrophobicContact CG-CB 4.02Å; P724-F1030 HydrophobicContact CG-CD1 4.43Å; P724-F1030 HydrophobicContact CG-CG 4.44Å
725	C	93.1	Very high	91.6	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.034	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-57	135.9	171.4	-176.7	0	0	0	0	110.2	K1014 R1032	C725-K1014 PolarHBondContact N-O 3.01Å; C725-R1032 WeakPolarHBondContact O-CD 3.45Å; C725-R1032 WeakPolarHBondContact O-CG 3.29Å; C725-R1032 PolarHBondContact O-NH1 2.64Å
726	P	93.1	Very high	92.4	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.045	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-54.6	167.4	173.4	-27.5	35.6	0	0	0	114.3	F707 F708 P719 R1032	F707-P726 HydrophobicContact CE1-CG 4.23Å; F708-P726 HydrophobicContact CD1-CG 4.44Å; F708-P726 HydrophobicContact CE1-CB 3.77Å; F708-P726 HydrophobicContact CE1-CG 3.71Å; F708-P726 HydrophobicContact CZ-CB 4.11Å; F708-P726 HydrophobicContact CZ-CG 4.45Å; P719-P726 HydrophobicContact CB-CG 4.12Å; P719-P726 HydrophobicContact CG-CG 4.22Å; P726-R1032 CarbonylContact C-O 3.54Å; P726-R1032 WeakPolarHBondContact CA-O 3.42Å
727	H	91.2	Very high	92.7	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.19	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-63.2	137.3	172.7	-177.7	99.7	0	0	0	109.7	L729 R1032 V1034	H727-L729 PolarHBondContact O-N 3.48Å; H727-R1032 HydrophobicContact CB-CB 4.22Å; H727-R1032 PolarHBondContact N-O 3.49Å; H727-V1034 HydrophobicContact CB-CG2 3.56Å
728	Y	93.6	Very high	92.6	Very high	42 Å²	42	38.2 Å²	38.2	17%	0.165	21%	0.214	C	C	.	.			trans	-76.8	111.8	-178.5	-173.8	-102.8	0	0	0	110.7	T730 L1018 D1050 N1052	Y728-T730 WeakPolarHBondContact CD1-OG1 3.38Å; Y728-T730 HydrophobicContact CE1-CG2 4.35Å; Y728-T730 VanDerWaalsContact CE1-OG1 3.3Å; Y728-T730 WeakPolarHBondContact CE1-OG1 3.17Å; Y728-T730 PolarHBondContact O-N 2.96Å; Y728-L1018 HydrophobicContact CD1-CD1 4.47Å; Y728-L1018 HydrophobicContact CD1-CD2 4.13Å; Y728-L1018 HydrophobicContact CG-CD2 4.25Å; Y728-L1018 HydrophobicContact CG-CG 4.45Å; Y728-D1050 VanDerWaalsContact CE2-C 3.46Å; Y728-D1050 PolarHBondContact OH-OD1 3.38Å; Y728-N1052 HydrophobicContact CD2-CB 3.92Å; Y728-N1052 HydrophobicContact CE2-CB 3.7Å
729	L	93.3	Very high	92.4	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.073	21%	0.211	C	C	.	.			trans	-91.5	99.2	172.8	-70.9	178.1	0	0	0	110.2	V701 H727 P731 W784 V789 P1047 D1050	V701-L729 HydrophobicContact CG2-CD2 3.59Å; H727-L729 PolarHBondContact O-N 3.48Å; L729-P731 WeakPolarHBondContact O-CD 3.42Å; L729-W784 HydrophobicContact CD1-CZ3 4.09Å; L729-W784 HydrophobicContact CD2-CZ3 4.35Å; L729-V789 HydrophobicContact CB-CG2 4.29Å; L729-V789 HydrophobicContact CD1-CG2 4.28Å; L729-P1047 HydrophobicContact CD1-CB 3.45Å; L729-P1047 VanDerWaalsContact CD1-CB 3.45Å; L729-P1047 HydrophobicContact CD1-CG 3.57Å; L729-D1050 PolarHBondContact O-N 3.16Å; L729-D1050 VanDerWaalsContact O-N 3.09Å
730	T	93.8	Very high	92.1	Very high	32 Å²	32	39.2 Å²	39.2	20%	0.196	23%	0.228	C	C	.	.			trans	-67.8	119.4	175	-47.7	0	0	0	0	110.8	P698 Y728 I732	P698-T730 HydrophobicContact CG-CG2 4.43Å; Y728-T730 WeakPolarHBondContact CD1-OG1 3.38Å; Y728-T730 HydrophobicContact CE1-CG2 4.35Å; Y728-T730 VanDerWaalsContact CE1-OG1 3.3Å; Y728-T730 WeakPolarHBondContact CE1-OG1 3.17Å; Y728-T730 PolarHBondContact O-N 2.96Å; T730-I732 PolarHBondContact O-N 2.94Å
731	P	96.1	Very high	91.9	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.052	22%	0.221	C	C	.	.			trans	-78.2	117.9	179.1	28.2	-31	0	0	0	112.4	L729 T733 V789 R791 V1049 D1050	L729-P731 WeakPolarHBondContact O-CD 3.42Å; P731-T733 PolarHBondContact O-N 3.5Å; P731-T733 VanDerWaalsContact O-N 3.12Å; P731-V789 HydrophobicContact CB-CG1 4.42Å; P731-R791 HydrophobicContact CB-CB 3.93Å; P731-V1049 HydrophobicContact CB-CG1 4.12Å; P731-V1049 HydrophobicContact CG-CG1 4.44Å; P731-D1050 WeakPolarHBondContact CD-OD1 3.43Å; P731-D1050 HydrophobicContact CG-CB 4.24Å
732	I	97.6	Very high	91.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	101.5	-179.6	-58	154.1	0	0	0	109.3	V659 H687 L690 P698 T730 V734 L788 V789 F790 R791	V659-I732 HydrophobicContact CG1-CD1 3.76Å; V659-I732 HydrophobicContact CG1-CG1 4.23Å; V659-I732 HydrophobicContact CG1-CG2 4.36Å; V659-I732 HydrophobicContact CG2-CD1 4.24Å; H687-I732 HydrophobicContact CB-CG2 4.01Å; L690-I732 HydrophobicContact CD1-CG2 3.97Å; L690-I732 HydrophobicContact CD2-CG2 4.38Å; L690-I732 HydrophobicContact CG-CG2 4.15Å; P698-I732 HydrophobicContact CB-CD1 4.46Å; P698-I732 HydrophobicContact CG-CD1 4.43Å; P698-I732 HydrophobicContact CG-CG1 4.08Å; T730-I732 PolarHBondContact O-N 2.94Å; I732-V734 PolarHBondContact O-N 3.05Å; I732-L788 HydrophobicContact CD1-CB 4.14Å; I732-L788 HydrophobicContact CD1-CD1 4.21Å; I732-L788 HydrophobicContact CD1-CD2 4.39Å; I732-L788 HydrophobicContact CD1-CG 4.5Å; I732-V789 WeakPolarHBondContact CB-O 3.4Å; I732-V789 PolarHBondContact N-O 3.26Å; I732-F790 HydrophobicContact CB-CD1 3.79Å; I732-F790 HydrophobicContact CB-CE1 4.07Å; I732-F790 HydrophobicContact CD1-CD1 4.15Å; I732-F790 HydrophobicContact CD1-CE1 3.73Å; I732-F790 HydrophobicContact CD1-CZ 3.94Å; I732-F790 HydrophobicContact CG2-CD1 3.82Å; I732-F790 HydrophobicContact CG2-CE1 3.87Å; I732-F790 CarbonylContact O-C 3.5Å; I732-F790 WeakPolarHBondContact O-CA 3.41Å; I732-R791 PolarHBondContact O-N 3.43Å
733	T	97.4	Very high	92	Very high	29 Å²	29	36.9 Å²	36.9	18%	0.178	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.4	-176.8	-54.5	0	0	0	0	113.7	A686 P731 I735 R791	A686-T733 HydrophobicContact CB-CG2 4.25Å; A686-T733 PolarHBondContact N-O 3.06Å; P731-T733 PolarHBondContact O-N 3.5Å; P731-T733 VanDerWaalsContact O-N 3.12Å; T733-I735 HydrophobicContact CG2-CD1 4.15Å; T733-R791 WeakPolarHBondContact CA-O 3.36Å
734	V	97.6	Very high	91.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133	178.4	177.9	0	0	0	0	109.3	Y663 V683 Q684 I732 F790 R791 I792 Q793	Y663-V734 HydrophobicContact CD2-CG2 3.74Å; Y663-V734 HydrophobicContact CE2-CB 4.49Å; Y663-V734 HydrophobicContact CE2-CG1 3.99Å; Y663-V734 HydrophobicContact CE2-CG2 3.74Å; V683-V734 HydrophobicContact CG1-CG1 3.56Å; Q684-V734 CarbonylContact O-C 3.55Å; Q684-V734 WeakPolarHBondContact O-CA 3.14Å; I732-V734 PolarHBondContact O-N 3.05Å; V734-F790 HydrophobicContact CG2-CD1 4.22Å; V734-R791 PolarHBondContact N-O 2.91Å; V734-I792 HydrophobicContact CB-CG1 4.5Å; V734-I792 CarbonylContact O-C 3.58Å; V734-I792 WeakPolarHBondContact O-CA 3.27Å; V734-Q793 PolarHBondContact O-N 2.92Å
735	I	97	Very high	91.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.9	177	-49.7	-54.7	0	0	0	109.3	V683 Q684 A686 T733 Q793 A795 T827 T828 P832	V683-I735 WeakPolarHBondContact CA-O 3.32Å; Q684-I735 PolarHBondContact N-O 2.73Å; Q684-I735 PolarHBondContact O-N 3.23Å; A686-I735 HydrophobicContact CB-CG1 4.16Å; T733-I735 HydrophobicContact CG2-CD1 4.15Å; I735-Q793 HydrophobicContact CD1-CB 4Å; I735-A795 HydrophobicContact CG2-CB 3.57Å; I735-T827 HydrophobicContact CD1-CG2 4.37Å; I735-T828 HydrophobicContact CG2-CG2 4.42Å; I735-P832 HydrophobicContact CG1-CG 3.83Å
736	C	95.8	Very high	90.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.9	174.4	-75.7	0	0	0	0	110.4	A682 I792 Q793 V794 A795	A682-C736 WeakPolarHBondContact O-CA 3.3Å; C736-I792 HydrophobicContact CB-CG2 4.16Å; C736-I792 VanDerWaalsContact SG-CG2 3.52Å; C736-Q793 PolarHBondContact N-O 2.68Å; C736-V794 WeakPolarHBondContact O-CA 3.28Å; C736-A795 PolarHBondContact O-N 2.79Å
737	H	93	Very high	90.6	Very high	32 Å²	32	43.9 Å²	43.9	15%	0.148	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	172.5	-68	-74.6	0	0	0	110.7	T681 A682 A795	T681-H737 PolarHBondContact N-O 3Å; T681-H737 PolarHBondContact OG1-O 3.21Å; A682-H737 HydrophobicContact CB-CB 4.26Å; A682-H737 PolarHBondContact O-N 2.72Å; H737-A795 PolarHBondContact ND1-O 3.39Å
738	M	89.7	Confident	90.4	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	160.9	171.6	-48.2	-47.9	-62	0	0	110.5	L676 L678 S679 I680 T681 W744 F758 V794	L676-M738 HydrophobicContact CD1-CE 4.14Å; L678-M738 HydrophobicContact CB-CB 4.21Å; L678-M738 HydrophobicContact CB-CE 4.04Å; L678-M738 HydrophobicContact CD1-CB 4.12Å; L678-M738 WeakPolarHBondContact O-CE 3.22Å; S679-M738 CarbonylContact O-C 3.54Å; S679-M738 WeakPolarHBondContact O-CA 3.2Å; I680-M738 HydrophobicContact CG1-CE 3.9Å; I680-M738 HydrophobicContact CG1-SD 4.12Å; T681-M738 PolarHBondContact OG1-O 2.94Å; M738-W744 HydrophobicContact CG-CZ2 4.47Å; M738-F758 HydrophobicContact CE-CD1 4.1Å; M738-F758 HydrophobicContact CE-CE1 4.05Å; M738-V794 HydrophobicContact CG-CG1 3.76Å; M738-V794 HydrophobicContact SD-CG1 4.12Å
739	E	88.3	Confident	90.2	Very high	69 Å²	69	47.1 Å²	47.1	32%	0.322	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.1	157.9	175.9	79.9	-157.6	149.4	0	0	113.9	L678 S679 T681 S741	L678-E739 WeakPolarHBondContact CA-OE1 3.33Å; L678-E739 HydrophobicContact CB-CG 4.1Å; L678-E739 HydrophobicContact CD2-CG 3.9Å; L678-E739 WeakPolarHBondContact CD2-OE1 3.46Å; L678-E739 HydrophobicContact CG-CG 4.45Å; S679-E739 WeakPolarHBondContact CB-OE2 3.38Å; S679-E739 VanDerWaalsContact N-CD 3.25Å; S679-E739 PolarHBondContact N-OE1 3.36Å; S679-E739 PolarHBondContact O-N 2.81Å; S679-E739 VanDerWaalsContact OG-CD 3.28Å; S679-E739 PolarHBondContact OG-OE2 3.45Å; T681-E739 HydrophobicContact CG2-CB 3.66Å; E739-S741 PolarHBondContact O-N 3.49Å
740	G	83.5	Confident	90.1	Very high	66 Å²	66	47.9 Å²	47.9	68%	0.68	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-66.3	120.5	179.1	0	0	0	0	0	111.6
741	S	85.4	Confident	90	Very high	31 Å²	31	46.4 Å²	46.4	22%	0.217	28%	0.277	C	S	.	.			trans	-132.6	135.9	179.5	176.2	0	0	0	0	111.1	E739 K743	E739-S741 PolarHBondContact O-N 3.49Å; S741-K743 PolarHBondContact O-N 3.27Å; S741-K743 PolarHBondContact OG-N 3.4Å
742	G	83.2	Confident	89.8	Confident	90 Å²	90	51.3 Å²	51.3	93%	0.928	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	0.2	171.4	0	0	0	0	0	114.2
743	K	86.1	Confident	89.6	Confident	189 Å²	189	57.4 Å²	57.4	82%	0.822	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.6	-177.9	-58.9	-179.7	-179.1	175.6	0	114	S741	S741-K743 PolarHBondContact O-N 3.27Å; S741-K743 PolarHBondContact OG-N 3.4Å
744	W	86.1	Confident	89.4	Confident	21 Å²	21	58.9 Å²	58.9	8%	0.08	33%	0.328	C	S	.	.	S	Bend	trans	-68.3	132.4	172	-74.3	95.3	0	0	0	109.8	L678 M738 I751 I754 R755 F758 Y796	L678-W744 HydrophobicContact CD1-CZ2 4.23Å; M738-W744 HydrophobicContact CG-CZ2 4.47Å; W744-I751 HydrophobicContact CE3-CG2 4.41Å; W744-I751 HydrophobicContact CZ3-CG2 4.33Å; W744-I754 HydrophobicContact CE3-CG2 4.01Å; W744-I754 HydrophobicContact CH2-CG2 3.8Å; W744-I754 HydrophobicContact CZ3-CB 4.04Å; W744-I754 HydrophobicContact CZ3-CG2 3.47Å; W744-I754 VanDerWaalsContact CZ3-CG2 3.47Å; W744-R755 HydrophobicContact CH2-CG 4.33Å; W744-R755 HydrophobicContact CZ3-CG 4.18Å; W744-F758 AromaticContact CH2-CD2 3.89Å; W744-F758 HydrophobicContact CH2-CD2 3.89Å; W744-F758 AromaticContact CH2-CE2 3.67Å; W744-F758 HydrophobicContact CH2-CE2 3.67Å; W744-F758 HydrophobicContact CZ2-CD2 4.32Å; W744-F758 AromaticContact CZ2-CE2 3.72Å; W744-F758 HydrophobicContact CZ2-CE2 3.72Å; W744-Y796 HydrophobicContact CB-CE1 3.83Å; W744-Y796 HydrophobicContact CB-CE2 3.95Å; W744-Y796 VanDerWaalsContact CB-CZ 3.47Å; W744-Y796 WeakPolarHBondContact CB-OH 3.24Å; W744-Y796 AromaticContact CD1-CD2 3.87Å; W744-Y796 AromaticContact CD1-CE2 3.38Å; W744-Y796 AromaticContact CD1-CZ 3.87Å; W744-Y796 HydrophobicContact CD2-CD1 4.17Å; W744-Y796 AromaticContact CD2-CD2 3.71Å; W744-Y796 HydrophobicContact CD2-CD2 3.71Å; W744-Y796 HydrophobicContact CD2-CE1 4.27Å; W744-Y796 AromaticContact CD2-CE2 3.84Å; W744-Y796 HydrophobicContact CD2-CE2 3.84Å; W744-Y796 AromaticContact CD2-CG 3.9Å; W744-Y796 HydrophobicContact CD2-CG 3.9Å; W744-Y796 AromaticContact CE2-CD2 3.68Å; W744-Y796 HydrophobicContact CE3-CD1 4.06Å; W744-Y796 HydrophobicContact CE3-CD2 4.27Å; W744-Y796 HydrophobicContact CE3-CE1 4.43Å; W744-Y796 AromaticContact CE3-CG 3.98Å; W744-Y796 HydrophobicContact CE3-CG 3.98Å; W744-Y796 HydrophobicContact CG-CD1 4.4Å; W744-Y796 AromaticContact CG-CD2 3.87Å; W744-Y796 HydrophobicContact CG-CD2 3.87Å; W744-Y796 HydrophobicContact CG-CE1 4.02Å; W744-Y796 AromaticContact CG-CE2 3.46Å; W744-Y796 HydrophobicContact CG-CE2 3.46Å; W744-Y796 VanDerWaalsContact CG-CE2 3.46Å; W744-Y796 HydrophobicContact CG-CG 4.34Å; W744-Y796 AromaticContact CG-CZ 3.53Å; W744-Y796 HydrophobicContact CZ2-CD2 4.23Å; W744-Y796 HydrophobicContact CZ2-CG 4.49Å; W744-Y796 HydrophobicContact CZ3-CG 4.31Å; W744-Y796 AromaticContact NE1-CD2 3.76Å; W744-Y796 AromaticContact NE1-CE2 3.74Å
745	P	86	Confident	89.1	Confident	35 Å²	35	60 Å²	60	23%	0.227	33%	0.333	C	S	.	.			trans	-74	160.2	-179	31.1	-35	0	0	0	111.5	A750 I751 I754	P745-A750 HydrophobicContact CB-CB 3.87Å; P745-A750 HydrophobicContact CG-CB 3.54Å; P745-I751 HydrophobicContact CG-CG1 4.06Å; P745-I751 WeakPolarHBondContact O-CD1 3.38Å; P745-I751 WeakPolarHBondContact O-CG1 3.19Å; P745-I754 VanDerWaalsContact CD-CD1 3.42Å; P745-I754 HydrophobicContact CG-CD1 3.68Å
746	L	81.8	Confident	89	Confident	127 Å²	127	60.9 Å²	60.9	67%	0.665	34%	0.34	S	S	*	.	S	Bend	trans	-88.1	-11.8	173.8	-58.8	176.7	0	0	0	113	V802	L746-V802 VanDerWaalsContact O-CG1 3.28Å; L746-V802 WeakPolarHBondContact O-CG1 3.47Å
747	D	86.6	Confident	88.9	Confident	86 Å²	86	63.3 Å²	63.3	46%	0.46	36%	0.36	S	S	.	.	S	Bend	trans	-79.7	133.7	173.7	171	52.4	0	0	0	111.8	T749 A750 I751	D747-T749 PolarHBondContact O-N 3.48Å; D747-T749 PolarHBondContact OD1-N 2.93Å; D747-T749 WeakPolarHBondContact OD2-CA 3.19Å; D747-T749 WeakPolarHBondContact OD2-CB 3.3Å; D747-T749 PolarHBondContact OD2-N 3.42Å; D747-T749 VanDerWaalsContact OD2-N 3.1Å; D747-A750 HydrophobicContact CB-CB 3.99Å; D747-A750 PolarHBondContact O-N 3.39Å; D747-A750 WeakPolarHBondContact OD2-CB 3.24Å; D747-A750 PolarHBondContact OD2-N 3.23Å; D747-I751 WeakPolarHBondContact O-CG1 3.24Å; D747-I751 PolarHBondContact O-N 3.08Å
748	R	87.4	Confident	89	Confident	82 Å²	82	62.4 Å²	62.4	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-40.4	-178.3	-59.3	173.3	179.5	-143	0.5	112	R752 V802 L803 E805	R748-R752 WeakPolarHBondContact O-CG 3.37Å; R748-R752 PolarHBondContact O-N 3Å; R748-V802 HydrophobicContact CG-CG1 4.25Å; R748-V802 PolarHBondContact NE-O 2.77Å; R748-V802 PolarHBondContact NH2-O 2.88Å; R748-L803 HydrophobicContact CB-CD2 4.5Å; R748-L803 HydrophobicContact CG-CD2 4.11Å; R748-L803 VanDerWaalsContact CZ-O 3.29Å; R748-L803 PolarHBondContact NH1-O 3.5Å; R748-L803 PolarHBondContact NH2-O 3.04Å; R748-E805 PolarHBondContact NH2-O 2.98Å
749	T	89.1	Confident	89.3	Confident	70 Å²	70	62 Å²	62	43%	0.429	35%	0.354	S	S	.	.	H	α-helix	trans	-74.1	-39.3	-178.2	-54.1	0	0	0	0	110.9	D747 R752 H753	D747-T749 PolarHBondContact O-N 3.48Å; D747-T749 PolarHBondContact OD1-N 2.93Å; D747-T749 WeakPolarHBondContact OD2-CA 3.19Å; D747-T749 WeakPolarHBondContact OD2-CB 3.3Å; D747-T749 PolarHBondContact OD2-N 3.42Å; D747-T749 VanDerWaalsContact OD2-N 3.1Å; T749-R752 PolarHBondContact O-N 3Å; T749-H753 PolarHBondContact O-N 3.38Å
750	A	91.6	Very high	89.7	Confident	29 Å²	29	62.7 Å²	62.7	24%	0.24	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-39.1	173.6	0	0	0	0	0	112.7	P745 D747 H753 I754	P745-A750 HydrophobicContact CB-CB 3.87Å; P745-A750 HydrophobicContact CG-CB 3.54Å; D747-A750 HydrophobicContact CB-CB 3.99Å; D747-A750 PolarHBondContact O-N 3.39Å; D747-A750 WeakPolarHBondContact OD2-CB 3.24Å; D747-A750 PolarHBondContact OD2-N 3.23Å; A750-H753 PolarHBondContact O-N 2.93Å; A750-I754 WeakPolarHBondContact O-CG1 3.34Å; A750-I754 PolarHBondContact O-N 3.39Å
751	I	91	Very high	90.2	Very high	1 Å²	1	61 Å²	61	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-49.8	171.9	-66.2	167.3	0	0	0	110.2	W744 P745 D747 H753 I754 R755 Y796 E799 V802	W744-I751 HydrophobicContact CE3-CG2 4.41Å; W744-I751 HydrophobicContact CZ3-CG2 4.33Å; P745-I751 HydrophobicContact CG-CG1 4.06Å; P745-I751 WeakPolarHBondContact O-CD1 3.38Å; P745-I751 WeakPolarHBondContact O-CG1 3.19Å; D747-I751 WeakPolarHBondContact O-CG1 3.24Å; D747-I751 PolarHBondContact O-N 3.08Å; I751-H753 PolarHBondContact O-N 2.89Å; I751-I754 PolarHBondContact O-N 2.96Å; I751-R755 HydrophobicContact CG2-CG 4.39Å; I751-R755 WeakPolarHBondContact O-CG 3.48Å; I751-R755 PolarHBondContact O-N 2.99Å; I751-Y796 HydrophobicContact CD1-CD1 4.35Å; I751-Y796 HydrophobicContact CD1-CE1 4.37Å; I751-Y796 HydrophobicContact CG2-CD1 4.19Å; I751-E799 HydrophobicContact CG2-CB 4.46Å; I751-E799 HydrophobicContact CG2-CG 3.87Å; I751-V802 HydrophobicContact CD1-CB 4.17Å; I751-V802 HydrophobicContact CD1-CG1 3.84Å; I751-V802 HydrophobicContact CD1-CG2 4.34Å
752	R	91	Very high	90.7	Very high	112 Å²	112	59.5 Å²	59.5	42%	0.423	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-43.8	178.3	-68.5	174.8	-177.4	177.7	3	112.2	R748 T749 R755 A756 E820	R748-R752 WeakPolarHBondContact O-CG 3.37Å; R748-R752 PolarHBondContact O-N 3Å; T749-R752 PolarHBondContact O-N 3Å; R752-R755 PolarHBondContact O-N 3.45Å; R752-A756 PolarHBondContact O-N 3.37Å; R752-E820 IonicContact CZ-OE1 2.66Å; R752-E820 IonicContact NE-OE1 2.71Å; R752-E820 IonicContact NH2-OE1 3.58Å; R752-E820 PolarHBondContact NH2-OE1 3.2Å; R752-E820 IonicContact NH2-OE2 3.94Å; R752-E820 PolarHBondContact NH2-OE2 3.33Å
753	H	93.5	Very high	91.3	Very high	127 Å²	127	55.7 Å²	55.7	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-64.4	-38.3	176.4	-69.1	159.9	0	0	0	113.1	T749 A750 I751 A756 A757	T749-H753 PolarHBondContact O-N 3.38Å; A750-H753 PolarHBondContact O-N 2.93Å; I751-H753 PolarHBondContact O-N 2.89Å; H753-A756 PolarHBondContact O-N 2.89Å; H753-A757 PolarHBondContact O-N 2.94Å
754	I	92.9	Very high	91.7	Very high	60 Å²	60	51.9 Å²	51.9	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-38.2	175.7	-70	170.2	0	0	0	111.1	W744 P745 A750 I751 A757 F758	W744-I754 HydrophobicContact CE3-CG2 4.01Å; W744-I754 HydrophobicContact CH2-CG2 3.8Å; W744-I754 HydrophobicContact CZ3-CB 4.04Å; W744-I754 HydrophobicContact CZ3-CG2 3.47Å; W744-I754 VanDerWaalsContact CZ3-CG2 3.47Å; P745-I754 VanDerWaalsContact CD-CD1 3.42Å; P745-I754 HydrophobicContact CG-CD1 3.68Å; A750-I754 WeakPolarHBondContact O-CG1 3.34Å; A750-I754 PolarHBondContact O-N 3.39Å; I751-I754 PolarHBondContact O-N 2.96Å; I754-A757 WeakPolarHBondContact O-CB 3.3Å; I754-A757 PolarHBondContact O-N 3.46Å; I754-F758 HydrophobicContact CG2-CD2 3.84Å; I754-F758 HydrophobicContact CG2-CE2 3.59Å; I754-F758 VanDerWaalsContact O-CD2 3.24Å; I754-F758 WeakPolarHBondContact O-CD2 3.34Å; I754-F758 PolarHBondContact O-N 3.48Å
755	R	92.4	Very high	92.1	Very high	24 Å²	24	52.2 Å²	52.2	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-47.2	171.7	-69.4	174.3	67	-158.1	-0.5	111	W744 I751 R752 A757 F758 H759 V794 E799	W744-R755 HydrophobicContact CH2-CG 4.33Å; W744-R755 HydrophobicContact CZ3-CG 4.18Å; I751-R755 HydrophobicContact CG2-CG 4.39Å; I751-R755 WeakPolarHBondContact O-CG 3.48Å; I751-R755 PolarHBondContact O-N 2.99Å; R752-R755 PolarHBondContact O-N 3.45Å; R755-A757 VanDerWaalsContact C-N 3.32Å; R755-A757 PolarHBondContact O-N 3.3Å; R755-F758 PolarHBondContact O-N 2.83Å; R755-F758 VanDerWaalsContact O-N 3.14Å; R755-H759 PolarHBondContact O-CE1 3.24Å; R755-H759 PolarHBondContact O-N 2.93Å; R755-H759 PolarHBondContact O-ND1 2.86Å; R755-V794 VanDerWaalsContact CZ-O 3.25Å; R755-V794 PolarHBondContact NE-O 3.5Å; R755-V794 PolarHBondContact NH2-O 3.22Å; R755-E799 WeakPolarHBondContact CD-OE1 3.4Å; R755-E799 WeakPolarHBondContact CD-OE2 3.38Å; R755-E799 IonicContact CZ-OE1 2.94Å; R755-E799 IonicContact CZ-OE2 2.68Å; R755-E799 VanDerWaalsContact CZ-OE2 3.29Å; R755-E799 IonicContact NE-OE1 2.77Å; R755-E799 IonicContact NE-OE2 3.17Å; R755-E799 PolarHBondContact NE-OE2 3.43Å; R755-E799 IonicContact NH1-OE1 2.74Å; R755-E799 PolarHBondContact NH1-OE1 2.61Å; R755-E799 IonicContact NH1-OE2 2.72Å; R755-E799 PolarHBondContact NH1-OE2 2.81Å
756	A	94.4	Very high	92.5	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-40.8	173.9	0	0	0	0	0	112.9	R752 H753 H759 I760	R752-A756 PolarHBondContact O-N 3.37Å; H753-A756 PolarHBondContact O-N 2.89Å; A756-H759 WeakPolarHBondContact CA-CE1 3.47Å; A756-H759 PolarHBondContact N-CE1 2.91Å; A756-H759 WeakPolarHBondContact O-CB 3.34Å; A756-H759 PolarHBondContact O-N 3.44Å; A756-I760 WeakPolarHBondContact O-CG1 3.31Å; A756-I760 PolarHBondContact O-N 3.46Å
757	A	94.5	Very high	93	Very high	51 Å²	51	48.4 Å²	48.4	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-42	174	0	0	0	0	0	112.4	H753 I754 R755 I760 S761	H753-A757 PolarHBondContact O-N 2.94Å; I754-A757 WeakPolarHBondContact O-CB 3.3Å; I754-A757 PolarHBondContact O-N 3.46Å; R755-A757 VanDerWaalsContact C-N 3.32Å; R755-A757 PolarHBondContact O-N 3.3Å; A757-I760 PolarHBondContact O-N 3.47Å; A757-S761 PolarHBondContact O-N 2.92Å; A757-S761 PolarHBondContact O-OG 2.71Å
758	F	94.7	Very high	93.3	Very high	14 Å²	14	51 Å²	51	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-37.5	172	-78.1	-70.1	0	0	0	112.6	P677 L678 M738 W744 I754 R755 I760 S761 L762 V794	P677-F758 HydrophobicContact CB-CE1 4.13Å; P677-F758 HydrophobicContact CB-CZ 4.46Å; P677-F758 HydrophobicContact CG-CE1 4.24Å; L678-F758 HydrophobicContact CB-CE1 4.1Å; L678-F758 HydrophobicContact CB-CZ 4.06Å; L678-F758 HydrophobicContact CD1-CE2 4.33Å; L678-F758 HydrophobicContact CD1-CZ 3.7Å; L678-F758 HydrophobicContact CG-CE1 4.34Å; L678-F758 HydrophobicContact CG-CZ 3.83Å; M738-F758 HydrophobicContact CE-CD1 4.1Å; M738-F758 HydrophobicContact CE-CE1 4.05Å; W744-F758 AromaticContact CH2-CD2 3.89Å; W744-F758 HydrophobicContact CH2-CD2 3.89Å; W744-F758 AromaticContact CH2-CE2 3.67Å; W744-F758 HydrophobicContact CH2-CE2 3.67Å; W744-F758 HydrophobicContact CZ2-CD2 4.32Å; W744-F758 AromaticContact CZ2-CE2 3.72Å; W744-F758 HydrophobicContact CZ2-CE2 3.72Å; I754-F758 HydrophobicContact CG2-CD2 3.84Å; I754-F758 HydrophobicContact CG2-CE2 3.59Å; I754-F758 VanDerWaalsContact O-CD2 3.24Å; I754-F758 WeakPolarHBondContact O-CD2 3.34Å; I754-F758 PolarHBondContact O-N 3.48Å; R755-F758 PolarHBondContact O-N 2.83Å; R755-F758 VanDerWaalsContact O-N 3.14Å; F758-I760 VanDerWaalsContact C-N 3.31Å; F758-I760 PolarHBondContact O-N 3.47Å; F758-S761 PolarHBondContact O-N 2.78Å; F758-L762 VanDerWaalsContact O-CB 3.29Å; F758-L762 WeakPolarHBondContact O-CB 3.43Å; F758-L762 VanDerWaalsContact O-CG 3.25Å; F758-L762 WeakPolarHBondContact O-CG 3.34Å; F758-L762 PolarHBondContact O-N 2.93Å; F758-V794 HydrophobicContact CB-CB 4.49Å; F758-V794 HydrophobicContact CB-CG1 4.18Å; F758-V794 HydrophobicContact CB-CG2 3.92Å
759	H	96.2	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-38.6	174	-61.1	130.3	0	0	0	112.1	R755 A756 A763 C777 P778 T779 V781	R755-H759 PolarHBondContact O-CE1 3.24Å; R755-H759 PolarHBondContact O-N 2.93Å; R755-H759 PolarHBondContact O-ND1 2.86Å; A756-H759 WeakPolarHBondContact CA-CE1 3.47Å; A756-H759 PolarHBondContact N-CE1 2.91Å; A756-H759 WeakPolarHBondContact O-CB 3.34Å; A756-H759 PolarHBondContact O-N 3.44Å; H759-A763 PolarHBondContact O-N 3.49Å; H759-C777 PolarHBondContact CE1-O 3.21Å; H759-C777 PolarHBondContact ND1-O 3.22Å; H759-P778 PolarHBondContact CE1-O 2.87Å; H759-P778 PolarHBondContact NE2-O 2.97Å; H759-T779 WeakPolarHBondContact NE2-CA 3.12Å; H759-T779 PolarHBondContact NE2-O 2.75Å; H759-V781 HydrophobicContact CB-CB 4.27Å
760	I	95.9	Very high	93.7	Very high	83 Å²	83	50.4 Å²	50.4	43%	0.426	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-52.7	174.7	-65.9	164.2	0	0	0	110.7	A756 A757 F758 L762 A763 E764 P776	A756-I760 WeakPolarHBondContact O-CG1 3.31Å; A756-I760 PolarHBondContact O-N 3.46Å; A757-I760 PolarHBondContact O-N 3.47Å; F758-I760 VanDerWaalsContact C-N 3.31Å; F758-I760 PolarHBondContact O-N 3.47Å; I760-L762 VanDerWaalsContact C-N 3.27Å; I760-L762 PolarHBondContact O-N 3.15Å; I760-A763 WeakPolarHBondContact O-CB 3.46Å; I760-A763 PolarHBondContact O-N 3.13Å; I760-E764 WeakPolarHBondContact O-CG 3.46Å; I760-E764 PolarHBondContact O-N 2.77Å; I760-P776 HydrophobicContact CG1-CB 4.05Å; I760-P776 HydrophobicContact CG1-CG 4.48Å
761	S	95.5	Very high	93.6	Very high	31 Å²	31	53 Å²	53	22%	0.217	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-32.6	179.1	-60.2	0	0	0	0	113	A757 F758 M765	A757-S761 PolarHBondContact O-N 2.92Å; A757-S761 PolarHBondContact O-OG 2.71Å; F758-S761 PolarHBondContact O-N 2.78Å; S761-M765 WeakPolarHBondContact O-CB 3.38Å; S761-M765 WeakPolarHBondContact O-CG 3.39Å; S761-M765 PolarHBondContact O-N 2.85Å
762	L	95.4	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-46.2	170.3	-80.1	166.7	0	0	0	111.6	L670 L676 I680 F758 I760 E764 M765 L766 V781 I792 V794	L670-L762 HydrophobicContact CD2-CD2 4.19Å; L676-L762 HydrophobicContact CD1-CD2 3.8Å; L676-L762 HydrophobicContact CD1-CG 4.49Å; L676-L762 HydrophobicContact CD2-CD2 4.27Å; L676-L762 HydrophobicContact CD2-CG 4.3Å; I680-L762 HydrophobicContact CD1-CD2 4.22Å; F758-L762 VanDerWaalsContact O-CB 3.29Å; F758-L762 WeakPolarHBondContact O-CB 3.43Å; F758-L762 VanDerWaalsContact O-CG 3.25Å; F758-L762 WeakPolarHBondContact O-CG 3.34Å; F758-L762 PolarHBondContact O-N 2.93Å; I760-L762 VanDerWaalsContact C-N 3.27Å; I760-L762 PolarHBondContact O-N 3.15Å; L762-E764 PolarHBondContact O-N 3.04Å; L762-M765 PolarHBondContact O-N 2.85Å; L762-L766 VanDerWaalsContact O-CB 3.25Å; L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 WeakPolarHBondContact O-CG 3.38Å; L762-L766 PolarHBondContact O-N 3.39Å; L762-V781 HydrophobicContact CB-CG1 4.15Å; L762-V781 HydrophobicContact CD1-CG1 4.48Å; L762-I792 HydrophobicContact CD1-CG2 4.5Å; L762-V794 HydrophobicContact CD1-CG2 3.47Å; L762-V794 VanDerWaalsContact CD1-CG2 3.47Å
763	A	94.8	Very high	93.8	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-46.5	176.6	0	0	0	0	0	111.7	H759 I760 K767 C774 P776 V781	H759-A763 PolarHBondContact O-N 3.49Å; I760-A763 WeakPolarHBondContact O-CB 3.46Å; I760-A763 PolarHBondContact O-N 3.13Å; A763-K767 WeakPolarHBondContact O-CB 3.48Å; A763-K767 PolarHBondContact O-N 3.28Å; A763-C774 HydrophobicContact CB-CB 3.73Å; A763-P776 HydrophobicContact CB-CB 3.95Å; A763-P776 HydrophobicContact CB-CG 3.96Å; A763-V781 HydrophobicContact CB-CG2 3.88Å
764	E	94.8	Very high	93.8	Very high	109 Å²	109	43.9 Å²	43.9	51%	0.509	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-48.8	178.1	-69.2	176.4	158.2	0	0	112.2	I760 L762 K767 K768	I760-E764 WeakPolarHBondContact O-CG 3.46Å; I760-E764 PolarHBondContact O-N 2.77Å; L762-E764 PolarHBondContact O-N 3.04Å; E764-K767 PolarHBondContact O-N 2.67Å; E764-K768 VanDerWaalsContact O-CB 3.24Å; E764-K768 WeakPolarHBondContact O-CB 3.49Å; E764-K768 PolarHBondContact O-N 2.94Å
765	M	95.5	Very high	93.8	Very high	29 Å²	29	42 Å²	42	14%	0.143	22%	0.219	C	C	.	.	H	α-helix	trans	-71.7	-37.9	-178	-68.4	-51.3	102	0	0	112.3	L673 L676 S761 L762 K767 K768 H769	L673-M765 HydrophobicContact CD1-CB 4.33Å; L673-M765 HydrophobicContact CD2-CB 3.49Å; L673-M765 VanDerWaalsContact CD2-CB 3.49Å; L673-M765 HydrophobicContact CD2-CG 4.02Å; L673-M765 HydrophobicContact CG-CB 4.1Å; L676-M765 HydrophobicContact CD2-CG 4.42Å; S761-M765 WeakPolarHBondContact O-CB 3.38Å; S761-M765 WeakPolarHBondContact O-CG 3.39Å; S761-M765 PolarHBondContact O-N 2.85Å; L762-M765 PolarHBondContact O-N 2.85Å; M765-K767 VanDerWaalsContact C-N 3.33Å; M765-K767 PolarHBondContact O-N 3.38Å; M765-K768 HydrophobicContact CE-CD 3.98Å; M765-K768 PolarHBondContact O-N 2.98Å; M765-K768 HydrophobicContact SD-CD 3.92Å; M765-H769 WeakPolarHBondContact O-CB 3.49Å; M765-H769 PolarHBondContact O-CD2 3.48Å; M765-H769 PolarHBondContact O-N 3.46Å
766	L	94.1	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-40.7	172.5	-73.3	170.5	0	0	0	111.4	L670 L673 L762 H770 D771 Y772 V783 I792	L670-L766 HydrophobicContact CD2-CD1 4.39Å; L670-L766 HydrophobicContact CD2-CD2 4.08Å; L673-L766 HydrophobicContact CD1-CD2 3.58Å; L673-L766 HydrophobicContact CD1-CG 3.83Å; L762-L766 VanDerWaalsContact O-CB 3.25Å; L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 WeakPolarHBondContact O-CG 3.38Å; L762-L766 PolarHBondContact O-N 3.39Å; L766-H770 WeakPolarHBondContact O-CA 3.49Å; L766-H770 PolarHBondContact O-N 3.03Å; L766-D771 PolarHBondContact O-N 3.25Å; L766-Y772 HydrophobicContact CB-CD2 4.41Å; L766-Y772 HydrophobicContact CD2-CD2 4.17Å; L766-Y772 HydrophobicContact CD2-CE2 4.48Å; L766-V783 HydrophobicContact CD1-CG1 4.46Å; L766-V783 HydrophobicContact CD1-CG2 3.77Å; L766-I792 HydrophobicContact CD1-CD1 4.06Å
767	K	91.9	Very high	93.7	Very high	82 Å²	82	44.7 Å²	44.7	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-45.5	174	-176.1	62.6	-175.6	160	0	111.6	A763 E764 M765 D771 Y772	A763-K767 WeakPolarHBondContact O-CB 3.48Å; A763-K767 PolarHBondContact O-N 3.28Å; E764-K767 PolarHBondContact O-N 2.67Å; M765-K767 VanDerWaalsContact C-N 3.33Å; M765-K767 PolarHBondContact O-N 3.38Å; K767-D771 VanDerWaalsContact CE-OD1 3.28Å; K767-D771 WeakPolarHBondContact CE-OD1 3.45Å; K767-D771 PolarHBondContact NZ-O 2.97Å; K767-D771 IonicContact NZ-OD1 2.73Å; K767-D771 PolarHBondContact NZ-OD1 3.14Å; K767-D771 IonicContact NZ-OD2 3Å; K767-D771 PolarHBondContact NZ-OD2 2.95Å; K767-D771 VanDerWaalsContact NZ-OD2 3.14Å; K767-D771 WeakPolarHBondContact O-CA 3.47Å; K767-D771 PolarHBondContact O-N 3.12Å; K767-Y772 WeakPolarHBondContact CD-O 3.32Å
768	K	93.1	Very high	93.7	Very high	141 Å²	141	47 Å²	47	61%	0.613	25%	0.249	S	C	*	.	H	α-helix	trans	-66.2	-40.4	-178.1	175.4	-172.5	166.2	-135.5	0	113.6	E764 M765	E764-K768 VanDerWaalsContact O-CB 3.24Å; E764-K768 WeakPolarHBondContact O-CB 3.49Å; E764-K768 PolarHBondContact O-N 2.94Å; M765-K768 HydrophobicContact CE-CD 3.98Å; M765-K768 PolarHBondContact O-N 2.98Å; M765-K768 HydrophobicContact SD-CD 3.92Å
769	H	92.5	Very high	93.6	Very high	80 Å²	80	50.5 Å²	50.5	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-96.3	-23	-173.4	-71.6	-108.2	0	0	0	113.7	M765	M765-H769 WeakPolarHBondContact O-CB 3.49Å; M765-H769 PolarHBondContact O-CD2 3.48Å; M765-H769 PolarHBondContact O-N 3.46Å
770	H	91.7	Very high	93.6	Very high	59 Å²	59	51.7 Å²	51.7	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-135.8	5.8	-174	-56.4	-37.1	0	0	0	115.1	K669 L766 Y772	K669-H770 WeakPolarHBondContact CB-NE2 3.03Å; L766-H770 WeakPolarHBondContact O-CA 3.49Å; L766-H770 PolarHBondContact O-N 3.03Å; H770-Y772 HydrophobicContact CB-CD1 4.4Å; H770-Y772 HydrophobicContact CB-CD2 3.75Å; H770-Y772 HydrophobicContact CB-CE1 4.27Å; H770-Y772 HydrophobicContact CB-CE2 3.6Å; H770-Y772 HydrophobicContact CB-CG 4.15Å; H770-Y772 PolarHBondContact O-N 3.33Å
771	D	90.9	Very high	93.7	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	26%	0.257	S	S	.	.			trans	56.6	6.4	-177.8	-152.4	54.6	0	0	0	116.9	L766 K767	L766-D771 PolarHBondContact O-N 3.25Å; K767-D771 VanDerWaalsContact CE-OD1 3.28Å; K767-D771 WeakPolarHBondContact CE-OD1 3.45Å; K767-D771 PolarHBondContact NZ-O 2.97Å; K767-D771 IonicContact NZ-OD1 2.73Å; K767-D771 PolarHBondContact NZ-OD1 3.14Å; K767-D771 IonicContact NZ-OD2 3Å; K767-D771 PolarHBondContact NZ-OD2 2.95Å; K767-D771 VanDerWaalsContact NZ-OD2 3.14Å; K767-D771 WeakPolarHBondContact O-CA 3.47Å; K767-D771 PolarHBondContact O-N 3.12Å
772	Y	92.7	Very high	93.7	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.02	25%	0.248	C	C	.	.			trans	-55.9	143.8	178.9	-61.1	-34.7	0	0	0	112.6	L666 K669 L766 K767 H770 V783 K785 A1042	L666-Y772 HydrophobicContact CD1-CE2 4.25Å; K669-Y772 HydrophobicContact CD-CE2 4.39Å; K669-Y772 WeakPolarHBondContact CD-OH 3.45Å; K669-Y772 PolarHBondContact NZ-OH 3.04Å; L766-Y772 HydrophobicContact CB-CD2 4.41Å; L766-Y772 HydrophobicContact CD2-CD2 4.17Å; L766-Y772 HydrophobicContact CD2-CE2 4.48Å; K767-Y772 WeakPolarHBondContact CD-O 3.32Å; H770-Y772 HydrophobicContact CB-CD1 4.4Å; H770-Y772 HydrophobicContact CB-CD2 3.75Å; H770-Y772 HydrophobicContact CB-CE1 4.27Å; H770-Y772 HydrophobicContact CB-CE2 3.6Å; H770-Y772 HydrophobicContact CB-CG 4.15Å; H770-Y772 PolarHBondContact O-N 3.33Å; Y772-V783 HydrophobicContact CD2-CG1 4.05Å; Y772-V783 HydrophobicContact CG-CG1 4.18Å; Y772-K785 HydrophobicContact CD1-CB 4.45Å; Y772-K785 HydrophobicContact CE1-CB 4.34Å; Y772-K785 HydrophobicContact CE1-CD 4.33Å; Y772-K785 HydrophobicContact CE1-CG 3.93Å; Y772-K785 HydrophobicContact CE2-CD 4.33Å; Y772-K785 WeakPolarHBondContact OH-CE 3.27Å; Y772-A1042 HydrophobicContact CD1-CB 4.44Å
773	T	91.8	Very high	93.7	Very high	21 Å²	21	46.6 Å²	46.6	13%	0.129	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.8	177.7	-47.9	0	0	0	0	107.9	W784 G1044 F1046	T773-W784 WeakPolarHBondContact O-CB 3.44Å; T773-W784 PolarHBondContact O-N 3.49Å; T773-G1044 PolarHBondContact OG1-N 3.33Å; T773-F1046 HydrophobicContact CG2-CB 4Å; T773-F1046 HydrophobicContact CG2-CD2 4.02Å; T773-F1046 WeakPolarHBondContact O-CD2 3.35Å; T773-F1046 WeakPolarHBondContact O-CE2 3.47Å
774	C	93.3	Very high	93.7	Very high	23 Å²	23	46.4 Å²	46.4	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	-167.8	-57.4	0	0	0	0	111.2	A763 V781 D782	A763-C774 HydrophobicContact CB-CB 3.73Å; C774-V781 HydrophobicContact CB-CG2 4.05Å; C774-D782 CarbonylContact C-O 3.57Å; C774-D782 VanDerWaalsContact CA-O 3.31Å; C774-D782 WeakPolarHBondContact CA-O 3.45Å
775	S	92.8	Very high	93.5	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	95.5	173.8	-173.9	0	0	0	0	110	F716 V781 D782	F716-S775 WeakPolarHBondContact CE1-OG 3.27Å; F716-S775 WeakPolarHBondContact CZ-OG 3.4Å; S775-V781 WeakPolarHBondContact O-CA 3.34Å; S775-D782 PolarHBondContact N-O 3.38Å; S775-D782 PolarHBondContact O-N 2.79Å
776	P	93.9	Very high	93.1	Very high	59 Å²	59	43 Å²	43	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.5	177.2	29.5	-31.8	0	0	0	111.1	I760 A763 V781	I760-P776 HydrophobicContact CG1-CB 4.05Å; I760-P776 HydrophobicContact CG1-CG 4.48Å; A763-P776 HydrophobicContact CB-CB 3.95Å; A763-P776 HydrophobicContact CB-CG 3.96Å; P776-V781 HydrophobicContact CB-CG2 4.43Å
777	C	92.8	Very high	92.9	Very high	40 Å²	40	43 Å²	43	27%	0.27	23%	0.231	S	C	.	.			trans	-118.9	164.9	176.9	-64.8	0	0	0	0	110.3	H759 T779 H780	H759-C777 PolarHBondContact CE1-O 3.21Å; H759-C777 PolarHBondContact ND1-O 3.22Å; C777-T779 PolarHBondContact O-N 2.99Å; C777-T779 VanDerWaalsContact O-N 3.11Å; C777-H780 CarbonylContact C-O 3.51Å; C777-H780 WeakPolarHBondContact CA-O 3.27Å; C777-H780 WeakPolarHBondContact CB-O 3.44Å; C777-H780 PolarHBondContact N-O 2.69Å; C777-H780 PolarHBondContact O-N 3.02Å
778	P	94	Very high	93	Very high	100 Å²	100	39.4 Å²	39.4	65%	0.649	22%	0.216	S	C	*	.	S	Bend	trans	-60.5	-24.1	-178.8	-26.6	36.2	0	0	0	115	H759	H759-P778 PolarHBondContact CE1-O 2.87Å; H759-P778 PolarHBondContact NE2-O 2.97Å
779	T	92.8	Very high	93.1	Very high	86 Å²	86	32.8 Å²	32.8	53%	0.528	19%	0.188	S	C	.	.	S	Bend	trans	-110.9	-14	-176	56.8	0	0	0	0	114.8	H759 C777	H759-T779 WeakPolarHBondContact NE2-CA 3.12Å; H759-T779 PolarHBondContact NE2-O 2.75Å; C777-T779 PolarHBondContact O-N 2.99Å; C777-T779 VanDerWaalsContact O-N 3.11Å
780	H	95.8	Very high	93.4	Very high	25 Å²	25	29 Å²	29	12%	0.116	17%	0.17	C	C	.	.			trans	-165.1	167.7	-174.2	60.9	-85.4	0	0	0	111.2	C777 D782 R791 I792 Q793	C777-H780 CarbonylContact C-O 3.51Å; C777-H780 WeakPolarHBondContact CA-O 3.27Å; C777-H780 WeakPolarHBondContact CB-O 3.44Å; C777-H780 PolarHBondContact N-O 2.69Å; C777-H780 PolarHBondContact O-N 3.02Å; H780-D782 IonicContact CD2-OD1 3.2Å; H780-D782 PolarHBondContact CD2-OD1 2.77Å; H780-D782 IonicContact CD2-OD2 2.68Å; H780-D782 IonicContact NE2-OD1 3.47Å; H780-D782 IonicContact NE2-OD2 2.69Å; H780-R791 HydrophobicContact CB-CG 3.81Å; H780-R791 PolarHBondContact CD2-NE 2.81Å; H780-R791 PolarHBondContact NE2-NE 2.83Å; H780-I792 CarbonylContact C-O 3.53Å; H780-I792 VanDerWaalsContact CA-O 3.29Å; H780-I792 WeakPolarHBondContact CA-O 3.39Å; H780-Q793 HydrophobicContact CB-CG 3.92Å
781	V	96.8	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.9	159.9	54.6	0	0	0	0	109.5	H759 L762 A763 C774 S775 P776 V783 I792	H759-V781 HydrophobicContact CB-CB 4.27Å; L762-V781 HydrophobicContact CB-CG1 4.15Å; L762-V781 HydrophobicContact CD1-CG1 4.48Å; A763-V781 HydrophobicContact CB-CG2 3.88Å; C774-V781 HydrophobicContact CB-CG2 4.05Å; S775-V781 WeakPolarHBondContact O-CA 3.34Å; P776-V781 HydrophobicContact CB-CG2 4.43Å; V781-V783 HydrophobicContact CG2-CG2 4.22Å; V781-I792 HydrophobicContact CG1-CB 3.86Å; V781-I792 HydrophobicContact CG1-CG2 4.48Å; V781-I792 PolarHBondContact N-O 3.08Å; V781-I792 PolarHBondContact O-N 2.73Å
782	D	96.7	Very high	94	Very high	7 Å²	7	24 Å²	24	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.9	172.3	-75.8	-10.1	0	0	0	110	C774 S775 H780 V789 F790 R791 F1046	C774-D782 CarbonylContact C-O 3.57Å; C774-D782 VanDerWaalsContact CA-O 3.31Å; C774-D782 WeakPolarHBondContact CA-O 3.45Å; S775-D782 PolarHBondContact N-O 3.38Å; S775-D782 PolarHBondContact O-N 2.79Å; H780-D782 IonicContact CD2-OD1 3.2Å; H780-D782 PolarHBondContact CD2-OD1 2.77Å; H780-D782 IonicContact CD2-OD2 2.68Å; H780-D782 IonicContact NE2-OD1 3.47Å; H780-D782 IonicContact NE2-OD2 2.69Å; D782-V789 HydrophobicContact CB-CG1 3.98Å; D782-F790 CarbonylContact C-O 3.48Å; D782-F790 WeakPolarHBondContact CA-O 3.5Å; D782-R791 VanDerWaalsContact OD1-CA 3.29Å; D782-R791 WeakPolarHBondContact OD1-CA 3.37Å; D782-R791 WeakPolarHBondContact OD1-CB 3.39Å; D782-R791 WeakPolarHBondContact OD1-CG 3.4Å; D782-R791 IonicContact OD1-CZ 2.75Å; D782-R791 IonicContact OD1-NE 2.64Å; D782-R791 PolarHBondContact OD1-NE 3.19Å; D782-R791 IonicContact OD1-NH2 2.71Å; D782-R791 IonicContact OD2-CZ 2.92Å; D782-R791 IonicContact OD2-NE 3.78Å; D782-R791 PolarHBondContact OD2-NE 2.9Å; D782-R791 IonicContact OD2-NH2 3.5Å; D782-R791 PolarHBondContact OD2-NH2 2.53Å; D782-F1046 HydrophobicContact CB-CZ 3.72Å
783	V	95.6	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.3	-172.6	-176.9	0	0	0	0	109.9	L766 Y772 V781 V789 F790 I792	L766-V783 HydrophobicContact CD1-CG1 4.46Å; L766-V783 HydrophobicContact CD1-CG2 3.77Å; Y772-V783 HydrophobicContact CD2-CG1 4.05Å; Y772-V783 HydrophobicContact CG-CG1 4.18Å; V781-V783 HydrophobicContact CG2-CG2 4.22Å; V783-V789 WeakPolarHBondContact O-CA 3.37Å; V783-F790 PolarHBondContact N-O 2.8Å; V783-F790 PolarHBondContact O-N 2.87Å; V783-I792 HydrophobicContact CG2-CD1 3.73Å; V783-I792 HydrophobicContact CG2-CG1 4.29Å
784	W	93.4	Very high	94.3	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.5	174.1	-178.2	-116.6	0	0	0	110.3	V701 L703 L729 T773 G787 V789 F1046 P1047	V701-W784 HydrophobicContact CG2-CH2 4.04Å; L703-W784 HydrophobicContact CD1-CH2 4.32Å; L703-W784 HydrophobicContact CD1-CZ2 3.85Å; L703-W784 HydrophobicContact CG-CH2 4.48Å; L703-W784 HydrophobicContact CG-CZ2 4.22Å; L729-W784 HydrophobicContact CD1-CZ3 4.09Å; L729-W784 HydrophobicContact CD2-CZ3 4.35Å; T773-W784 WeakPolarHBondContact O-CB 3.44Å; T773-W784 PolarHBondContact O-N 3.49Å; W784-G787 VanDerWaalsContact CH2-C 3.41Å; W784-G787 WeakPolarHBondContact CH2-O 3.48Å; W784-G787 VanDerWaalsContact CZ3-C 3.43Å; W784-G787 WeakPolarHBondContact CZ3-O 3.48Å; W784-V789 HydrophobicContact CE3-CG2 3.71Å; W784-V789 HydrophobicContact CZ3-CG2 3.97Å; W784-F1046 HydrophobicContact CB-CD2 4.22Å; W784-F1046 HydrophobicContact CB-CE2 4.11Å; W784-P1047 HydrophobicContact CD2-CG 4.09Å; W784-P1047 HydrophobicContact CE3-CG 3.78Å; W784-P1047 HydrophobicContact CZ3-CG 4.05Å
785	K	91.4	Very high	94.2	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	125	-174.5	174.8	-177.7	-172.6	-67.9	0	110	S662 D665 L666 Y772 G787 L788 F790	S662-K785 PolarHBondContact O-NZ 2.87Å; S662-K785 PolarHBondContact OG-NZ 3.2Å; D665-K785 WeakPolarHBondContact OD2-CE 3.32Å; D665-K785 IonicContact OD2-NZ 2.92Å; D665-K785 PolarHBondContact OD2-NZ 2.63Å; L666-K785 HydrophobicContact CB-CD 3.97Å; L666-K785 HydrophobicContact CD1-CD 4.32Å; Y772-K785 HydrophobicContact CD1-CB 4.45Å; Y772-K785 HydrophobicContact CE1-CB 4.34Å; Y772-K785 HydrophobicContact CE1-CD 4.33Å; Y772-K785 HydrophobicContact CE1-CG 3.93Å; Y772-K785 HydrophobicContact CE2-CD 4.33Å; Y772-K785 WeakPolarHBondContact OH-CE 3.27Å; K785-G787 VanDerWaalsContact C-N 3.25Å; K785-G787 PolarHBondContact O-N 2.82Å; K785-G787 VanDerWaalsContact O-N 3.16Å; K785-L788 PolarHBondContact N-O 3.33Å; K785-L788 WeakPolarHBondContact O-CA 3.44Å; K785-L788 WeakPolarHBondContact O-CB 3.3Å; K785-L788 PolarHBondContact O-N 2.92Å; K785-L788 VanDerWaalsContact O-O 3.12Å; K785-F790 HydrophobicContact CB-CD2 4.11Å; K785-F790 HydrophobicContact CB-CE2 4.14Å; K785-F790 HydrophobicContact CD-CD2 4.3Å; K785-F790 HydrophobicContact CD-CE2 4.03Å; K785-F790 HydrophobicContact CG-CE2 4.35Å
786	D	87.9	Confident	94	Very high	66 Å²	66	23.6 Å²	23.6	35%	0.353	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.8	171.6	-44.6	-26.8	0	0	0	114.7	S662 L788	S662-D786 PolarHBondContact OG-OD2 3.29Å; D786-L788 VanDerWaalsContact C-N 3.33Å
787	G	89.9	Confident	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	6.3	-176.5	0	0	0	0	0	115.6	V701 W784 K785	V701-G787 PolarHBondContact N-O 3.29Å; V701-G787 VanDerWaalsContact O-CA 3.23Å; V701-G787 WeakPolarHBondContact O-CA 3.42Å; W784-G787 VanDerWaalsContact CH2-C 3.41Å; W784-G787 WeakPolarHBondContact CH2-O 3.48Å; W784-G787 VanDerWaalsContact CZ3-C 3.43Å; W784-G787 WeakPolarHBondContact CZ3-O 3.48Å; K785-G787 VanDerWaalsContact C-N 3.25Å; K785-G787 PolarHBondContact O-N 2.82Å; K785-G787 VanDerWaalsContact O-N 3.16Å
788	L	93.6	Very high	93.3	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.9	-179.9	-63.1	173.2	0	0	0	111.6	V659 P698 P700 I732 K785 D786 F790	V659-L788 HydrophobicContact CG2-CD1 3.97Å; V659-L788 HydrophobicContact CG2-CD2 4.26Å; P698-L788 HydrophobicContact CB-CD2 3.94Å; P700-L788 HydrophobicContact CB-CD2 4.47Å; P700-L788 HydrophobicContact CB-CG 4.41Å; P700-L788 HydrophobicContact CG-CD1 4.38Å; P700-L788 HydrophobicContact CG-CD2 4.16Å; P700-L788 HydrophobicContact CG-CG 4.21Å; I732-L788 HydrophobicContact CD1-CB 4.14Å; I732-L788 HydrophobicContact CD1-CD1 4.21Å; I732-L788 HydrophobicContact CD1-CD2 4.39Å; I732-L788 HydrophobicContact CD1-CG 4.5Å; K785-L788 PolarHBondContact N-O 3.33Å; K785-L788 WeakPolarHBondContact O-CA 3.44Å; K785-L788 WeakPolarHBondContact O-CB 3.3Å; K785-L788 PolarHBondContact O-N 2.92Å; K785-L788 VanDerWaalsContact O-O 3.12Å; D786-L788 VanDerWaalsContact C-N 3.33Å; L788-F790 HydrophobicContact CB-CE2 3.97Å; L788-F790 HydrophobicContact CB-CZ 4.42Å; L788-F790 HydrophobicContact CD1-CE2 4.46Å; L788-F790 HydrophobicContact CD1-CZ 4.23Å
789	V	95.4	Very high	93	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.3	173.2	-174.6	0	0	0	0	110.3	L729 P731 I732 D782 V783 W784 P1047 V1049	L729-V789 HydrophobicContact CB-CG2 4.29Å; L729-V789 HydrophobicContact CD1-CG2 4.28Å; P731-V789 HydrophobicContact CB-CG1 4.42Å; I732-V789 WeakPolarHBondContact CB-O 3.4Å; I732-V789 PolarHBondContact N-O 3.26Å; D782-V789 HydrophobicContact CB-CG1 3.98Å; V783-V789 WeakPolarHBondContact O-CA 3.37Å; W784-V789 HydrophobicContact CE3-CG2 3.71Å; W784-V789 HydrophobicContact CZ3-CG2 3.97Å; V789-P1047 HydrophobicContact CG2-CG 4.45Å; V789-V1049 HydrophobicContact CB-CG1 4.35Å; V789-V1049 HydrophobicContact CG1-CG1 3.86Å; V789-V1049 HydrophobicContact CG1-CG2 4.19Å; V789-V1049 HydrophobicContact CG2-CG1 4.24Å; V789-V1049 HydrophobicContact CG2-CG2 3.83Å
790	F	97.4	Very high	92.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.1	172.6	-65.3	-87.9	0	0	0	110.8	L666 I732 V734 D782 V783 K785 L788	L666-F790 HydrophobicContact CD2-CB 3.47Å; L666-F790 VanDerWaalsContact CD2-CB 3.47Å; L666-F790 HydrophobicContact CD2-CD1 3.82Å; L666-F790 HydrophobicContact CD2-CD2 3.78Å; L666-F790 HydrophobicContact CD2-CE2 4.48Å; L666-F790 HydrophobicContact CD2-CG 3.39Å; I732-F790 HydrophobicContact CB-CD1 3.79Å; I732-F790 HydrophobicContact CB-CE1 4.07Å; I732-F790 HydrophobicContact CD1-CD1 4.15Å; I732-F790 HydrophobicContact CD1-CE1 3.73Å; I732-F790 HydrophobicContact CD1-CZ 3.94Å; I732-F790 HydrophobicContact CG2-CD1 3.82Å; I732-F790 HydrophobicContact CG2-CE1 3.87Å; I732-F790 CarbonylContact O-C 3.5Å; I732-F790 WeakPolarHBondContact O-CA 3.41Å; V734-F790 HydrophobicContact CG2-CD1 4.22Å; D782-F790 CarbonylContact C-O 3.48Å; D782-F790 WeakPolarHBondContact CA-O 3.5Å; V783-F790 PolarHBondContact N-O 2.8Å; V783-F790 PolarHBondContact O-N 2.87Å; K785-F790 HydrophobicContact CB-CD2 4.11Å; K785-F790 HydrophobicContact CB-CE2 4.14Å; K785-F790 HydrophobicContact CD-CD2 4.3Å; K785-F790 HydrophobicContact CD-CE2 4.03Å; K785-F790 HydrophobicContact CG-CE2 4.35Å; L788-F790 HydrophobicContact CB-CE2 3.97Å; L788-F790 HydrophobicContact CB-CZ 4.42Å; L788-F790 HydrophobicContact CD1-CE2 4.46Å; L788-F790 HydrophobicContact CD1-CZ 4.23Å
791	R	97.8	Very high	92.5	Very high	38 Å²	38	22.7 Å²	22.7	14%	0.143	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	98.6	179.8	177.9	162	-70.5	167.7	0.8	110.2	P731 I732 T733 V734 H780 D782 D1050	P731-R791 HydrophobicContact CB-CB 3.93Å; I732-R791 PolarHBondContact O-N 3.43Å; T733-R791 WeakPolarHBondContact CA-O 3.36Å; V734-R791 PolarHBondContact N-O 2.91Å; H780-R791 HydrophobicContact CB-CG 3.81Å; H780-R791 PolarHBondContact CD2-NE 2.81Å; H780-R791 PolarHBondContact NE2-NE 2.83Å; D782-R791 VanDerWaalsContact OD1-CA 3.29Å; D782-R791 WeakPolarHBondContact OD1-CA 3.37Å; D782-R791 WeakPolarHBondContact OD1-CB 3.39Å; D782-R791 WeakPolarHBondContact OD1-CG 3.4Å; D782-R791 IonicContact OD1-CZ 2.75Å; D782-R791 IonicContact OD1-NE 2.64Å; D782-R791 PolarHBondContact OD1-NE 3.19Å; D782-R791 IonicContact OD1-NH2 2.71Å; D782-R791 IonicContact OD2-CZ 2.92Å; D782-R791 IonicContact OD2-NE 3.78Å; D782-R791 PolarHBondContact OD2-NE 2.9Å; D782-R791 IonicContact OD2-NH2 3.5Å; D782-R791 PolarHBondContact OD2-NH2 2.53Å; R791-D1050 IonicContact CZ-OD2 3.35Å; R791-D1050 IonicContact NH1-OD2 3.84Å; R791-D1050 PolarHBondContact NH1-OD2 2.92Å; R791-D1050 IonicContact NH2-OD2 2.74Å; R791-D1050 PolarHBondContact NH2-OD2 3.18Å
792	I	97.8	Very high	92	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119	-176.3	-53	175.5	0	0	0	109.7	L666 L670 V734 C736 L762 L766 H780 V781 V783	L666-I792 HydrophobicContact CD2-CD1 4.42Å; L670-I792 HydrophobicContact CD1-CD1 4Å; L670-I792 HydrophobicContact CD2-CD1 4.04Å; V734-I792 HydrophobicContact CB-CG1 4.5Å; V734-I792 CarbonylContact O-C 3.58Å; V734-I792 WeakPolarHBondContact O-CA 3.27Å; C736-I792 HydrophobicContact CB-CG2 4.16Å; C736-I792 VanDerWaalsContact SG-CG2 3.52Å; L762-I792 HydrophobicContact CD1-CG2 4.5Å; L766-I792 HydrophobicContact CD1-CD1 4.06Å; H780-I792 CarbonylContact C-O 3.53Å; H780-I792 VanDerWaalsContact CA-O 3.29Å; H780-I792 WeakPolarHBondContact CA-O 3.39Å; V781-I792 HydrophobicContact CG1-CB 3.86Å; V781-I792 HydrophobicContact CG1-CG2 4.48Å; V781-I792 PolarHBondContact N-O 3.08Å; V781-I792 PolarHBondContact O-N 2.73Å; V783-I792 HydrophobicContact CG2-CD1 3.73Å; V783-I792 HydrophobicContact CG2-CG1 4.29Å
793	Q	96.3	Very high	91.6	Very high	34 Å²	34	23 Å²	23	16%	0.159	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.7	175	-66.1	-177.3	1.3	0	0	110.2	V734 I735 C736 H780	V734-Q793 PolarHBondContact O-N 2.92Å; I735-Q793 HydrophobicContact CD1-CB 4Å; C736-Q793 PolarHBondContact N-O 2.68Å; H780-Q793 HydrophobicContact CB-CG 3.92Å
794	V	94.4	Very high	91.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.5	168.3	177.4	0	0	0	0	108.4	C736 M738 R755 F758 L762	C736-V794 WeakPolarHBondContact O-CA 3.28Å; M738-V794 HydrophobicContact CG-CG1 3.76Å; M738-V794 HydrophobicContact SD-CG1 4.12Å; R755-V794 VanDerWaalsContact CZ-O 3.25Å; R755-V794 PolarHBondContact NE-O 3.5Å; R755-V794 PolarHBondContact NH2-O 3.22Å; F758-V794 HydrophobicContact CB-CB 4.49Å; F758-V794 HydrophobicContact CB-CG1 4.18Å; F758-V794 HydrophobicContact CB-CG2 3.92Å; L762-V794 HydrophobicContact CD1-CG2 3.47Å; L762-V794 VanDerWaalsContact CD1-CG2 3.47Å
795	A	92	Very high	91	Very high	3 Å²	3	27 Å²	27	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	-176.7	0	0	0	0	0	112.1	I735 C736 H737 T828	I735-A795 HydrophobicContact CG2-CB 3.57Å; C736-A795 PolarHBondContact O-N 2.79Å; H737-A795 PolarHBondContact ND1-O 3.39Å; A795-T828 HydrophobicContact CB-CG2 3.62Å
796	Y	88.6	Confident	90.5	Very high	22 Å²	22	29.2 Å²	29.2	9%	0.086	14%	0.137	C	C	.	.			trans	-99.8	121.3	177.3	176	-128.9	0	0	0	111.3	W744 I751 R798 E799	W744-Y796 HydrophobicContact CB-CE1 3.83Å; W744-Y796 HydrophobicContact CB-CE2 3.95Å; W744-Y796 VanDerWaalsContact CB-CZ 3.47Å; W744-Y796 WeakPolarHBondContact CB-OH 3.24Å; W744-Y796 AromaticContact CD1-CD2 3.87Å; W744-Y796 AromaticContact CD1-CE2 3.38Å; W744-Y796 AromaticContact CD1-CZ 3.87Å; W744-Y796 HydrophobicContact CD2-CD1 4.17Å; W744-Y796 AromaticContact CD2-CD2 3.71Å; W744-Y796 HydrophobicContact CD2-CD2 3.71Å; W744-Y796 HydrophobicContact CD2-CE1 4.27Å; W744-Y796 AromaticContact CD2-CE2 3.84Å; W744-Y796 HydrophobicContact CD2-CE2 3.84Å; W744-Y796 AromaticContact CD2-CG 3.9Å; W744-Y796 HydrophobicContact CD2-CG 3.9Å; W744-Y796 AromaticContact CE2-CD2 3.68Å; W744-Y796 HydrophobicContact CE3-CD1 4.06Å; W744-Y796 HydrophobicContact CE3-CD2 4.27Å; W744-Y796 HydrophobicContact CE3-CE1 4.43Å; W744-Y796 AromaticContact CE3-CG 3.98Å; W744-Y796 HydrophobicContact CE3-CG 3.98Å; W744-Y796 HydrophobicContact CG-CD1 4.4Å; W744-Y796 AromaticContact CG-CD2 3.87Å; W744-Y796 HydrophobicContact CG-CD2 3.87Å; W744-Y796 HydrophobicContact CG-CE1 4.02Å; W744-Y796 AromaticContact CG-CE2 3.46Å; W744-Y796 HydrophobicContact CG-CE2 3.46Å; W744-Y796 VanDerWaalsContact CG-CE2 3.46Å; W744-Y796 HydrophobicContact CG-CG 4.34Å; W744-Y796 AromaticContact CG-CZ 3.53Å; W744-Y796 HydrophobicContact CZ2-CD2 4.23Å; W744-Y796 HydrophobicContact CZ2-CG 4.49Å; W744-Y796 HydrophobicContact CZ3-CG 4.31Å; W744-Y796 AromaticContact NE1-CD2 3.76Å; W744-Y796 AromaticContact NE1-CE2 3.74Å; I751-Y796 HydrophobicContact CD1-CD1 4.35Å; I751-Y796 HydrophobicContact CD1-CE1 4.37Å; I751-Y796 HydrophobicContact CG2-CD1 4.19Å; Y796-R798 HydrophobicContact CD1-CB 4.41Å; Y796-R798 HydrophobicContact CE1-CB 3.67Å; Y796-R798 HydrophobicContact CE1-CG 4.48Å; Y796-R798 HydrophobicContact CE2-CB 4.4Å; Y796-R798 HydrophobicContact CE2-CG 4.44Å; Y796-R798 PolarHBondContact O-N 3.42Å; Y796-R798 VanDerWaalsContact O-N 3.1Å; Y796-E799 HydrophobicContact CD1-CB 4.01Å; Y796-E799 VanDerWaalsContact O-CB 3.23Å; Y796-E799 WeakPolarHBondContact O-CB 3.25Å; Y796-E799 PolarHBondContact O-N 3.31Å
797	H	84.4	Confident	90	Very high	102 Å²	102	31 Å²	31	47%	0.472	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.6	-168.9	66.6	-98.4	0	0	0	115.7	Q801	H797-Q801 PolarHBondContact O-NE2 2.97Å; H797-Q801 PolarHBondContact O-OE1 3.15Å; H797-Q801 VanDerWaalsContact O-OE1 3.12Å
798	R	86.8	Confident	89.5	Confident	104 Å²	104	33.6 Å²	33.6	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-3.6	170.3	-55.4	-166.7	64.5	-154.2	-8.3	113.8	Y796 Q801 V802 E805	Y796-R798 HydrophobicContact CD1-CB 4.41Å; Y796-R798 HydrophobicContact CE1-CB 3.67Å; Y796-R798 HydrophobicContact CE1-CG 4.48Å; Y796-R798 HydrophobicContact CE2-CB 4.4Å; Y796-R798 HydrophobicContact CE2-CG 4.44Å; Y796-R798 PolarHBondContact O-N 3.42Å; Y796-R798 VanDerWaalsContact O-N 3.1Å; R798-Q801 PolarHBondContact O-N 3.43Å; R798-Q801 VanDerWaalsContact O-N 3.15Å; R798-Q801 PolarHBondContact O-OE1 3.47Å; R798-V802 WeakPolarHBondContact O-CG2 3.19Å; R798-V802 PolarHBondContact O-N 3.28Å; R798-E805 IonicContact NH2-OE1 2.74Å
799	E	88.5	Confident	88.7	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-43.4	-175.9	-167.4	176.5	-168.2	0	0	112.6	I751 R755 Y796 Q801 V802 L803 L824	I751-E799 HydrophobicContact CG2-CB 4.46Å; I751-E799 HydrophobicContact CG2-CG 3.87Å; R755-E799 WeakPolarHBondContact CD-OE1 3.4Å; R755-E799 WeakPolarHBondContact CD-OE2 3.38Å; R755-E799 IonicContact CZ-OE1 2.94Å; R755-E799 IonicContact CZ-OE2 2.68Å; R755-E799 VanDerWaalsContact CZ-OE2 3.29Å; R755-E799 IonicContact NE-OE1 2.77Å; R755-E799 IonicContact NE-OE2 3.17Å; R755-E799 PolarHBondContact NE-OE2 3.43Å; R755-E799 IonicContact NH1-OE1 2.74Å; R755-E799 PolarHBondContact NH1-OE1 2.61Å; R755-E799 IonicContact NH1-OE2 2.72Å; R755-E799 PolarHBondContact NH1-OE2 2.81Å; Y796-E799 HydrophobicContact CD1-CB 4.01Å; Y796-E799 VanDerWaalsContact O-CB 3.23Å; Y796-E799 WeakPolarHBondContact O-CB 3.25Å; Y796-E799 PolarHBondContact O-N 3.31Å; E799-Q801 VanDerWaalsContact C-N 3.26Å; E799-Q801 PolarHBondContact O-N 2.99Å; E799-V802 PolarHBondContact O-N 3.33Å; E799-L803 WeakPolarHBondContact O-CB 3.46Å; E799-L803 VanDerWaalsContact O-CG 3.29Å; E799-L803 WeakPolarHBondContact O-CG 3.24Å; E799-L803 PolarHBondContact O-N 2.99Å; E799-L824 HydrophobicContact CB-CD2 3.76Å; E799-L824 HydrophobicContact CG-CD2 3.46Å; E799-L824 VanDerWaalsContact CG-CD2 3.46Å
800	P	89.3	Confident	87.8	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-34.7	172.7	-24.1	34.9	0	0	0	113.5	R804 A821 L824 E825	P800-R804 WeakPolarHBondContact O-CD 3.42Å; P800-R804 WeakPolarHBondContact O-CG 3.47Å; P800-R804 PolarHBondContact O-N 2.89Å; P800-A821 WeakPolarHBondContact O-CB 3.48Å; P800-L824 HydrophobicContact CG-CD2 4.04Å; P800-L824 HydrophobicContact CG-CG 4.23Å; P800-E825 HydrophobicContact CB-CB 4.25Å; P800-E825 HydrophobicContact CG-CB 4.26Å
801	Q	87.7	Confident	86.8	Confident	75 Å²	75	47.5 Å²	47.5	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-45.9	178.3	-63.1	81.8	-13.2	0	0	110.8	H797 R798 E799 L803 R804 E805	H797-Q801 PolarHBondContact O-NE2 2.97Å; H797-Q801 PolarHBondContact O-OE1 3.15Å; H797-Q801 VanDerWaalsContact O-OE1 3.12Å; R798-Q801 PolarHBondContact O-N 3.43Å; R798-Q801 VanDerWaalsContact O-N 3.15Å; R798-Q801 PolarHBondContact O-OE1 3.47Å; E799-Q801 VanDerWaalsContact C-N 3.26Å; E799-Q801 PolarHBondContact O-N 2.99Å; Q801-L803 PolarHBondContact O-N 3.29Å; Q801-R804 CarbonylContact O-C 3.57Å; Q801-R804 WeakPolarHBondContact O-CA 3.17Å; Q801-R804 WeakPolarHBondContact O-CB 3.42Å; Q801-R804 PolarHBondContact O-N 2.64Å; Q801-E805 WeakPolarHBondContact O-CG 3.43Å; Q801-E805 PolarHBondContact O-N 2.89Å
802	V	87.9	Confident	85.9	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-30.8	174.6	173.9	0	0	0	0	111.9	L746 R748 I751 R798 E799 R804	L746-V802 VanDerWaalsContact O-CG1 3.28Å; L746-V802 WeakPolarHBondContact O-CG1 3.47Å; R748-V802 HydrophobicContact CG-CG1 4.25Å; R748-V802 PolarHBondContact NE-O 2.77Å; R748-V802 PolarHBondContact NH2-O 2.88Å; I751-V802 HydrophobicContact CD1-CB 4.17Å; I751-V802 HydrophobicContact CD1-CG1 3.84Å; I751-V802 HydrophobicContact CD1-CG2 4.34Å; R798-V802 WeakPolarHBondContact O-CG2 3.19Å; R798-V802 PolarHBondContact O-N 3.28Å; E799-V802 PolarHBondContact O-N 3.33Å; V802-R804 VanDerWaalsContact C-N 3.31Å
803	L	87.4	Confident	85	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-70.3	-24.9	170.8	-71.1	174.8	0	0	0	113.3	R748 E799 Q801 N818 E820 A821 L824	R748-L803 HydrophobicContact CB-CD2 4.5Å; R748-L803 HydrophobicContact CG-CD2 4.11Å; R748-L803 VanDerWaalsContact CZ-O 3.29Å; R748-L803 PolarHBondContact NH1-O 3.5Å; R748-L803 PolarHBondContact NH2-O 3.04Å; E799-L803 WeakPolarHBondContact O-CB 3.46Å; E799-L803 VanDerWaalsContact O-CG 3.29Å; E799-L803 WeakPolarHBondContact O-CG 3.24Å; E799-L803 PolarHBondContact O-N 2.99Å; Q801-L803 PolarHBondContact O-N 3.29Å; L803-N818 PolarHBondContact O-ND2 3.45Å; L803-E820 HydrophobicContact CD1-CB 4.41Å; L803-E820 HydrophobicContact CD1-CG 3.98Å; L803-E820 WeakPolarHBondContact CD1-OE1 3.42Å; L803-E820 VanDerWaalsContact CD2-OE1 3.26Å; L803-E820 WeakPolarHBondContact CD2-OE1 3.32Å; L803-A821 HydrophobicContact CB-CB 3.87Å; L803-L824 HydrophobicContact CD1-CD2 3.81Å
804	R	89.4	Confident	84.3	Confident	38 Å²	38	57.5 Å²	57.5	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-84.6	-29.4	174.2	-67.7	164.7	167.6	140	-1.7	112.8	P800 Q801 V802 V815 R816 D817 A821 E825	P800-R804 WeakPolarHBondContact O-CD 3.42Å; P800-R804 WeakPolarHBondContact O-CG 3.47Å; P800-R804 PolarHBondContact O-N 2.89Å; Q801-R804 CarbonylContact O-C 3.57Å; Q801-R804 WeakPolarHBondContact O-CA 3.17Å; Q801-R804 WeakPolarHBondContact O-CB 3.42Å; Q801-R804 PolarHBondContact O-N 2.64Å; V802-R804 VanDerWaalsContact C-N 3.31Å; R804-V815 HydrophobicContact CB-CG1 3.92Å; R804-V815 CarbonylContact O-C 3.59Å; R804-V815 WeakPolarHBondContact O-CA 3.48Å; R804-R816 WeakPolarHBondContact CA-O 3.48Å; R804-R816 PolarHBondContact O-N 3.35Å; R804-D817 IonicContact CZ-OD1 2.78Å; R804-D817 VanDerWaalsContact CZ-OD1 3.29Å; R804-D817 IonicContact NE-OD1 3.29Å; R804-D817 PolarHBondContact NE-OD1 2.81Å; R804-D817 IonicContact NH2-OD1 3.84Å; R804-D817 PolarHBondContact NH2-OD1 2.89Å; R804-A821 HydrophobicContact CG-CB 3.72Å; R804-E825 IonicContact CZ-OE1 2.76Å; R804-E825 IonicContact CZ-OE2 2.71Å; R804-E825 VanDerWaalsContact NH1-CD 3.33Å; R804-E825 IonicContact NH1-OE1 2.69Å; R804-E825 PolarHBondContact NH1-OE1 3.09Å; R804-E825 IonicContact NH1-OE2 3.47Å; R804-E825 PolarHBondContact NH1-OE2 3.42Å; R804-E825 IonicContact NH2-OE1 2.8Å; R804-E825 IonicContact NH2-OE2 3.92Å; R804-E825 PolarHBondContact NH2-OE2 3.22Å
805	E	88	Confident	83.7	Confident	51 Å²	51	62.2 Å²	62.2	24%	0.238	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126	176.1	-68.6	170.2	-151.5	0	0	110.8	R748 R798 Q801 L813 V815	R748-E805 PolarHBondContact NH2-O 2.98Å; R798-E805 IonicContact NH2-OE1 2.74Å; Q801-E805 WeakPolarHBondContact O-CG 3.43Å; Q801-E805 PolarHBondContact O-N 2.89Å; E805-L813 HydrophobicContact CB-CD1 4.42Å; E805-L813 HydrophobicContact CG-CD1 4.41Å; E805-L813 HydrophobicContact CG-CD2 4.25Å; E805-V815 HydrophobicContact CG-CG2 4.36Å
806	S	79.7	Confident	83.3	Confident	48 Å²	48	71 Å²	71	34%	0.336	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.7	177.1	64.3	0	0	0	0	110	L813 V814	S806-L813 CarbonylContact O-C 3.58Å; S806-L813 WeakPolarHBondContact O-CA 3.32Å; S806-V814 PolarHBondContact N-O 3.02Å; S806-V814 PolarHBondContact O-N 2.96Å; S806-V814 PolarHBondContact OG-O 2.84Å
807	V	78.5	Confident	83.1	Confident	105 Å²	105	73.4 Å²	73.4	64%	0.636	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	130.5	177.6	-174.8	0	0	0	0	108.6	L812	V807-L812 WeakPolarHBondContact CA-O 3.39Å
808	N	78.6	Confident	83.2	Confident	53 Å²	53	70.7 Å²	70.7	28%	0.283	39%	0.385	S	S	.	.			trans	-82	177.6	177	69.8	-3.3	0	0	0	112.1	E810 G811 L812 V814	N808-E810 WeakPolarHBondContact CB-OE2 3.48Å; N808-E810 PolarHBondContact ND2-OE2 2.76Å; N808-E810 PolarHBondContact O-N 3.11Å; N808-E810 PolarHBondContact OD1-N 3.09Å; N808-E810 PolarHBondContact OD1-OE2 3.44Å; N808-G811 PolarHBondContact O-N 2.9Å; N808-G811 VanDerWaalsContact O-N 3.1Å; N808-G811 PolarHBondContact OD1-N 3.4Å; N808-G811 VanDerWaalsContact OD1-N 3.14Å; N808-L812 PolarHBondContact N-O 3.35Å; N808-L812 WeakPolarHBondContact OD1-CA 3.29Å; N808-L812 WeakPolarHBondContact OD1-CB 3.33Å; N808-L812 PolarHBondContact OD1-N 3.16Å; N808-L812 PolarHBondContact OD1-O 3.21Å; N808-V814 HydrophobicContact CB-CG2 4.1Å
809	A	76.3	Confident	83.3	Confident	102 Å²	102	71.2 Å²	71.2	84%	0.843	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.5	-179.3	0	0	0	0	0	112.8
810	E	77.6	Confident	83.3	Confident	142 Å²	142	74.7 Å²	74.7	66%	0.664	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.8	179.8	-56.8	71.2	-157.1	0	0	113.3	N808	N808-E810 WeakPolarHBondContact CB-OE2 3.48Å; N808-E810 PolarHBondContact ND2-OE2 2.76Å; N808-E810 PolarHBondContact O-N 3.11Å; N808-E810 PolarHBondContact OD1-N 3.09Å; N808-E810 PolarHBondContact OD1-OE2 3.44Å
811	G	75.1	Confident	83.4	Confident	58 Å²	58	74.5 Å²	74.5	60%	0.598	41%	0.406	S	S	*	.	S	Bend	trans	81	7.7	178.8	0	0	0	0	0	115.4	N808	N808-G811 PolarHBondContact O-N 2.9Å; N808-G811 VanDerWaalsContact O-N 3.1Å; N808-G811 PolarHBondContact OD1-N 3.4Å; N808-G811 VanDerWaalsContact OD1-N 3.14Å
812	L	79.1	Confident	83.5	Confident	115 Å²	115	73.2 Å²	73.2	60%	0.602	40%	0.4	S	S	*	.			trans	-84.9	141.1	175.7	-64.8	166.7	0	0	0	111.1	V807 N808 V814	V807-L812 WeakPolarHBondContact CA-O 3.39Å; N808-L812 PolarHBondContact N-O 3.35Å; N808-L812 WeakPolarHBondContact OD1-CA 3.29Å; N808-L812 WeakPolarHBondContact OD1-CB 3.33Å; N808-L812 PolarHBondContact OD1-N 3.16Å; N808-L812 PolarHBondContact OD1-O 3.21Å; L812-V814 PolarHBondContact O-N 2.9Å
813	L	79.1	Confident	83.7	Confident	105 Å²	105	76.5 Å²	76.5	55%	0.55	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115	174.6	-175	150	0	0	0	110	E805 S806 V815	E805-L813 HydrophobicContact CB-CD1 4.42Å; E805-L813 HydrophobicContact CG-CD1 4.41Å; E805-L813 HydrophobicContact CG-CD2 4.25Å; S806-L813 CarbonylContact O-C 3.58Å; S806-L813 WeakPolarHBondContact O-CA 3.32Å; L813-V815 HydrophobicContact CD2-CG2 3.73Å
814	V	81.9	Confident	83.9	Confident	61 Å²	61	77.3 Å²	77.3	37%	0.37	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.2	177.3	179.2	0	0	0	0	108.7	S806 N808 L812	S806-V814 PolarHBondContact N-O 3.02Å; S806-V814 PolarHBondContact O-N 2.96Å; S806-V814 PolarHBondContact OG-O 2.84Å; N808-V814 HydrophobicContact CB-CG2 4.1Å; L812-V814 PolarHBondContact O-N 2.9Å
815	V	82.8	Confident	84.1	Confident	99 Å²	99	77.7 Å²	77.7	60%	0.6	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.1	172.4	-175.3	0	0	0	0	108.8	R804 E805 L813	R804-V815 HydrophobicContact CB-CG1 3.92Å; R804-V815 CarbonylContact O-C 3.59Å; R804-V815 WeakPolarHBondContact O-CA 3.48Å; E805-V815 HydrophobicContact CG-CG2 4.36Å; L813-V815 HydrophobicContact CD2-CG2 3.73Å
816	R	83.1	Confident	84.3	Confident	187 Å²	187	77 Å²	77	71%	0.706	43%	0.425	S	S	*	.			trans	-132.1	120.9	178.1	-174.9	175.2	179.2	172.6	1.2	111.3	R804 N818	R804-R816 WeakPolarHBondContact CA-O 3.48Å; R804-R816 PolarHBondContact O-N 3.35Å; R816-N818 PolarHBondContact O-ND2 3.26Å
817	D	83.4	Confident	84.9	Confident	73 Å²	73	76.4 Å²	76.4	39%	0.39	42%	0.42	S	S	.	.			trans	-64	141.1	174.4	-166.7	47.8	0	0	0	111.8	R804 Q822	R804-D817 IonicContact CZ-OD1 2.78Å; R804-D817 VanDerWaalsContact CZ-OD1 3.29Å; R804-D817 IonicContact NE-OD1 3.29Å; R804-D817 PolarHBondContact NE-OD1 2.81Å; R804-D817 IonicContact NH2-OD1 3.84Å; R804-D817 PolarHBondContact NH2-OD1 2.89Å; D817-Q822 PolarHBondContact OD2-NE2 3.18Å
818	N	88.3	Confident	85.6	Confident	46 Å²	46	71.8 Å²	71.8	25%	0.246	39%	0.391	C	S	.	.			trans	-154	163	-170.3	62	83.7	0	0	0	111.6	L803 R816 E820 A821 Q822	L803-N818 PolarHBondContact O-ND2 3.45Å; R816-N818 PolarHBondContact O-ND2 3.26Å; N818-E820 PolarHBondContact O-N 3.42Å; N818-E820 PolarHBondContact OD1-N 3.37Å; N818-A821 PolarHBondContact O-N 3.02Å; N818-A821 PolarHBondContact OD1-N 2.95Å; N818-A821 VanDerWaalsContact OD1-N 3.17Å; N818-Q822 WeakPolarHBondContact O-CG 3.47Å; N818-Q822 PolarHBondContact O-N 3.09Å
819	E	87.5	Confident	86.3	Confident	115 Å²	115	72.6 Å²	72.6	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-40.6	-172.9	174.9	150	-134.3	0	0	113.9	A821 Q822 V823 R960	E819-A821 PolarHBondContact O-N 3.13Å; E819-Q822 PolarHBondContact O-N 3.03Å; E819-V823 HydrophobicContact CG-CG2 4.28Å; E819-V823 WeakPolarHBondContact O-CB 3.3Å; E819-V823 WeakPolarHBondContact O-CG2 3.07Å; E819-V823 PolarHBondContact O-N 2.82Å; E819-R960 IonicContact OE1-CZ 3.69Å; E819-R960 IonicContact OE1-NH1 3.77Å; E819-R960 PolarHBondContact OE1-NH1 3.12Å; E819-R960 IonicContact OE1-NH2 3.29Å; E819-R960 PolarHBondContact OE1-NH2 3.13Å
820	E	89.9	Confident	87.1	Confident	79 Å²	79	69.9 Å²	69.9	37%	0.369	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-45.1	180	-162.4	-167.6	142.5	0	0	111.1	R752 L803 N818 V823 L824	R752-E820 IonicContact CZ-OE1 2.66Å; R752-E820 IonicContact NE-OE1 2.71Å; R752-E820 IonicContact NH2-OE1 3.58Å; R752-E820 PolarHBondContact NH2-OE1 3.2Å; R752-E820 IonicContact NH2-OE2 3.94Å; R752-E820 PolarHBondContact NH2-OE2 3.33Å; L803-E820 HydrophobicContact CD1-CB 4.41Å; L803-E820 HydrophobicContact CD1-CG 3.98Å; L803-E820 WeakPolarHBondContact CD1-OE1 3.42Å; L803-E820 VanDerWaalsContact CD2-OE1 3.26Å; L803-E820 WeakPolarHBondContact CD2-OE1 3.32Å; N818-E820 PolarHBondContact O-N 3.42Å; N818-E820 PolarHBondContact OD1-N 3.37Å; E820-V823 PolarHBondContact O-N 3.23Å; E820-L824 WeakPolarHBondContact O-CB 3.5Å; E820-L824 PolarHBondContact O-N 3.31Å
821	A	90.7	Very high	87.9	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.4	0	0	0	0	0	112.1	P800 L803 R804 N818 E819 L824 E825	P800-A821 WeakPolarHBondContact O-CB 3.48Å; L803-A821 HydrophobicContact CB-CB 3.87Å; R804-A821 HydrophobicContact CG-CB 3.72Å; N818-A821 PolarHBondContact O-N 3.02Å; N818-A821 PolarHBondContact OD1-N 2.95Å; N818-A821 VanDerWaalsContact OD1-N 3.17Å; E819-A821 PolarHBondContact O-N 3.13Å; A821-L824 PolarHBondContact O-N 3.07Å; A821-E825 VanDerWaalsContact O-CB 3.26Å; A821-E825 WeakPolarHBondContact O-CB 3.5Å; A821-E825 PolarHBondContact O-N 3.13Å
822	Q	89.8	Confident	88.9	Confident	49 Å²	49	63.4 Å²	63.4	23%	0.229	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-44.6	177.6	-72.8	172.3	5.8	0	0	112.5	D817 N818 E819 M826	D817-Q822 PolarHBondContact OD2-NE2 3.18Å; N818-Q822 WeakPolarHBondContact O-CG 3.47Å; N818-Q822 PolarHBondContact O-N 3.09Å; E819-Q822 PolarHBondContact O-N 3.03Å; Q822-M826 WeakPolarHBondContact O-CB 3.36Å; Q822-M826 PolarHBondContact O-N 3.48Å
823	V	91.1	Very high	89.7	Confident	75 Å²	75	61.4 Å²	61.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-40.4	179.7	171.2	0	0	0	0	110.8	E819 E820 T827	E819-V823 HydrophobicContact CG-CG2 4.28Å; E819-V823 WeakPolarHBondContact O-CB 3.3Å; E819-V823 WeakPolarHBondContact O-CG2 3.07Å; E819-V823 PolarHBondContact O-N 2.82Å; E820-V823 PolarHBondContact O-N 3.23Å; V823-T827 WeakPolarHBondContact O-CB 3.46Å; V823-T827 PolarHBondContact O-N 2.74Å; V823-T827 PolarHBondContact O-OG1 3.05Å; V823-T827 VanDerWaalsContact O-OG1 3.08Å
824	L	92.1	Very high	90.4	Very high	22 Å²	22	56.8 Å²	56.8	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-44.6	176.6	-175.6	64.7	0	0	0	112.1	E799 P800 L803 E820 A821 T827 T828	E799-L824 HydrophobicContact CB-CD2 3.76Å; E799-L824 HydrophobicContact CG-CD2 3.46Å; E799-L824 VanDerWaalsContact CG-CD2 3.46Å; P800-L824 HydrophobicContact CG-CD2 4.04Å; P800-L824 HydrophobicContact CG-CG 4.23Å; L803-L824 HydrophobicContact CD1-CD2 3.81Å; E820-L824 WeakPolarHBondContact O-CB 3.5Å; E820-L824 PolarHBondContact O-N 3.31Å; A821-L824 PolarHBondContact O-N 3.07Å; L824-T827 PolarHBondContact O-N 2.99Å; L824-T828 HydrophobicContact CD1-CG2 3.89Å; L824-T828 HydrophobicContact CG-CG2 4.48Å; L824-T828 WeakPolarHBondContact O-CB 2.94Å; L824-T828 WeakPolarHBondContact O-CG2 3.44Å; L824-T828 PolarHBondContact O-N 3.1Å; L824-T828 PolarHBondContact O-OG1 3.15Å
825	E	92.8	Very high	91.2	Very high	47 Å²	47	54 Å²	54	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-40.8	177.8	-173.3	168.7	-104.8	0	0	111.8	P800 R804 A821 T827 V829 H830	P800-E825 HydrophobicContact CB-CB 4.25Å; P800-E825 HydrophobicContact CG-CB 4.26Å; R804-E825 IonicContact CZ-OE1 2.76Å; R804-E825 IonicContact CZ-OE2 2.71Å; R804-E825 VanDerWaalsContact NH1-CD 3.33Å; R804-E825 IonicContact NH1-OE1 2.69Å; R804-E825 PolarHBondContact NH1-OE1 3.09Å; R804-E825 IonicContact NH1-OE2 3.47Å; R804-E825 PolarHBondContact NH1-OE2 3.42Å; R804-E825 IonicContact NH2-OE1 2.8Å; R804-E825 IonicContact NH2-OE2 3.92Å; R804-E825 PolarHBondContact NH2-OE2 3.22Å; A821-E825 VanDerWaalsContact O-CB 3.26Å; A821-E825 WeakPolarHBondContact O-CB 3.5Å; A821-E825 PolarHBondContact O-N 3.13Å; E825-T827 PolarHBondContact O-N 2.87Å; E825-V829 HydrophobicContact CG-CG2 4.37Å; E825-V829 WeakPolarHBondContact O-CA 3.48Å; E825-V829 VanDerWaalsContact O-CB 3.31Å; E825-V829 WeakPolarHBondContact O-CB 3.24Å; E825-V829 PolarHBondContact O-N 3.46Å; E825-H830 PolarHBondContact O-N 2.99Å
826	M	92.2	Very high	91.8	Very high	35 Å²	35	52.9 Å²	52.9	17%	0.172	27%	0.267	C	S	.	.	I	π-helix	trans	-56.1	-51.1	171.1	172.3	56.2	76.4	0	0	111.4	Q822 H830 K831 L956 W957	Q822-M826 WeakPolarHBondContact O-CB 3.36Å; Q822-M826 PolarHBondContact O-N 3.48Å; M826-H830 PolarHBondContact O-N 2.96Å; M826-H830 HydrophobicContact SD-CB 3.9Å; M826-K831 HydrophobicContact CG-CG 4.37Å; M826-K831 PolarHBondContact O-N 3.08Å; M826-K831 HydrophobicContact SD-CG 3.86Å; M826-L956 HydrophobicContact CE-CD1 4.24Å; M826-L956 HydrophobicContact CE-CD2 3.7Å; M826-L956 HydrophobicContact CE-CG 3.62Å; M826-W957 HydrophobicContact CE-CD2 4.36Å; M826-W957 HydrophobicContact CE-CE3 3.87Å; M826-W957 HydrophobicContact CE-CH2 4.13Å; M826-W957 HydrophobicContact CE-CZ3 3.75Å; M826-W957 HydrophobicContact SD-CE3 4.15Å; M826-W957 HydrophobicContact SD-CH2 3.59Å; M826-W957 VanDerWaalsContact SD-CH2 3.59Å; M826-W957 HydrophobicContact SD-CZ2 4.46Å; M826-W957 HydrophobicContact SD-CZ3 3.4Å; M826-W957 WeakPolarHBondContact SD-CZ3 3.5Å
827	T	93.1	Very high	92.4	Very high	37 Å²	37	44.8 Å²	44.8	23%	0.227	24%	0.238	C	C	.	.	I	π-helix	trans	-69.1	-37.5	-177.7	-64.7	0	0	0	0	113.6	I735 V823 L824 E825 P832	I735-T827 HydrophobicContact CD1-CG2 4.37Å; V823-T827 WeakPolarHBondContact O-CB 3.46Å; V823-T827 PolarHBondContact O-N 2.74Å; V823-T827 PolarHBondContact O-OG1 3.05Å; V823-T827 VanDerWaalsContact O-OG1 3.08Å; L824-T827 PolarHBondContact O-N 2.99Å; E825-T827 PolarHBondContact O-N 2.87Å; T827-P832 WeakPolarHBondContact O-CD 3.37Å
828	T	93.3	Very high	93	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.043	22%	0.219	C	C	.	.	I	π-helix	trans	-100.1	-14.7	-171.4	60.8	0	0	0	0	115	I735 A795 L824	I735-T828 HydrophobicContact CG2-CG2 4.42Å; A795-T828 HydrophobicContact CB-CG2 3.62Å; L824-T828 HydrophobicContact CD1-CG2 3.89Å; L824-T828 HydrophobicContact CG-CG2 4.48Å; L824-T828 WeakPolarHBondContact O-CB 2.94Å; L824-T828 WeakPolarHBondContact O-CG2 3.44Å; L824-T828 PolarHBondContact O-N 3.1Å; L824-T828 PolarHBondContact O-OG1 3.15Å
829	V	92.6	Very high	93.5	Very high	71 Å²	71	41.4 Å²	41.4	43%	0.43	22%	0.218	S	C	.	.	I	π-helix	trans	-123.9	-52.2	-178.8	-172.8	0	0	0	0	112	E825 L833	E825-V829 HydrophobicContact CG-CG2 4.37Å; E825-V829 WeakPolarHBondContact O-CA 3.48Å; E825-V829 VanDerWaalsContact O-CB 3.31Å; E825-V829 WeakPolarHBondContact O-CB 3.24Å; E825-V829 PolarHBondContact O-N 3.46Å; V829-L833 WeakPolarHBondContact O-CB 3.42Å; V829-L833 PolarHBondContact O-N 3.01Å
830	H	93.6	Very high	93.9	Very high	44 Å²	44	37.1 Å²	37.1	20%	0.204	21%	0.205	C	C	.	.	I	π-helix	trans	-79.4	-46.3	-170.9	-65.1	-78.6	0	0	0	113.7	E825 M826 L833 L834 L956 W957	E825-H830 PolarHBondContact O-N 2.99Å; M826-H830 PolarHBondContact O-N 2.96Å; M826-H830 HydrophobicContact SD-CB 3.9Å; H830-L833 PolarHBondContact O-N 2.88Å; H830-L834 WeakPolarHBondContact O-CB 3.33Å; H830-L834 PolarHBondContact O-N 3.29Å; H830-L956 HydrophobicContact CB-CD2 4.06Å; H830-W957 HydrophobicContact CB-CH2 4.06Å; H830-W957 HydrophobicContact CB-CZ2 4.04Å
831	K	95.1	Very high	94.1	Very high	62 Å²	62	33.9 Å²	33.9	27%	0.27	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-40.1	177.2	-69	-171.1	-174.6	-125.1	0	113.9	A686 M826 L834 T835 D871 W957	A686-K831 HydrophobicContact CB-CB 4.37Å; M826-K831 HydrophobicContact CG-CG 4.37Å; M826-K831 PolarHBondContact O-N 3.08Å; M826-K831 HydrophobicContact SD-CG 3.86Å; K831-L834 PolarHBondContact O-N 2.99Å; K831-T835 WeakPolarHBondContact O-CB 3.45Å; K831-T835 PolarHBondContact O-N 3.44Å; K831-T835 PolarHBondContact O-OG1 3.11Å; K831-D871 WeakPolarHBondContact CE-OD2 3.4Å; K831-D871 IonicContact NZ-OD2 3.98Å; K831-D871 PolarHBondContact NZ-OD2 3.04Å; K831-W957 HydrophobicContact CG-CH2 4.23Å; K831-W957 HydrophobicContact CG-CZ3 4.28Å
832	P	95.8	Very high	94.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-42.8	173.1	-25.5	35.3	0	0	0	113.3	Q684 G685 A686 I735 T827 T835 S836	Q684-P832 HydrophobicContact CB-CB 3.93Å; G685-P832 WeakPolarHBondContact O-CA 3.25Å; A686-P832 HydrophobicContact CB-CG 4.18Å; I735-P832 HydrophobicContact CG1-CG 3.83Å; T827-P832 WeakPolarHBondContact O-CD 3.37Å; P832-T835 PolarHBondContact O-N 3.42Å; P832-S836 PolarHBondContact O-N 2.89Å; P832-S836 PolarHBondContact O-OG 3.45Å
833	L	94.8	Very high	94.5	Very high	73 Å²	73	37.7 Å²	37.7	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-67.1	-39.9	178.1	-179.9	59.4	0	0	0	112.5	V829 H830 T835 S836 T837 K950	V829-L833 WeakPolarHBondContact O-CB 3.42Å; V829-L833 PolarHBondContact O-N 3.01Å; H830-L833 PolarHBondContact O-N 2.88Å; L833-T835 VanDerWaalsContact C-N 3.28Å; L833-T835 PolarHBondContact O-N 2.86Å; L833-S836 PolarHBondContact O-OG 3.03Å; L833-T837 VanDerWaalsContact O-CB 3.23Å; L833-T837 WeakPolarHBondContact O-CB 3.32Å; L833-T837 PolarHBondContact O-N 3.25Å; L833-T837 VanDerWaalsContact O-N 3.14Å; L833-T837 PolarHBondContact O-OG1 2.92Å; L833-K950 HydrophobicContact CD2-CG 3.9Å
834	L	95.7	Very high	94.6	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-40.6	171.7	-175.6	66.5	0	0	0	110.7	H830 K831 T837 L838 D871 L875 L918 W957	H830-L834 WeakPolarHBondContact O-CB 3.33Å; H830-L834 PolarHBondContact O-N 3.29Å; K831-L834 PolarHBondContact O-N 2.99Å; L834-T837 PolarHBondContact O-N 2.97Å; L834-L838 HydrophobicContact CD1-CD1 3.68Å; L834-L838 HydrophobicContact CD1-CG 3.88Å; L834-L838 HydrophobicContact CD2-CD1 4.4Å; L834-L838 HydrophobicContact CG-CD1 3.79Å; L834-L838 HydrophobicContact CG-CG 4.24Å; L834-L838 WeakPolarHBondContact O-CB 3.49Å; L834-L838 WeakPolarHBondContact O-CG 3.3Å; L834-L838 PolarHBondContact O-N 3.37Å; L834-D871 HydrophobicContact CD2-CB 3.79Å; L834-L875 HydrophobicContact CD1-CD2 3.76Å; L834-L875 HydrophobicContact CD1-CG 4.15Å; L834-L918 HydrophobicContact CD1-CD1 4.5Å; L834-W957 HydrophobicContact CB-CH2 4.14Å; L834-W957 HydrophobicContact CB-CZ2 4.17Å; L834-W957 HydrophobicContact CD2-CH2 3.64Å; L834-W957 HydrophobicContact CD2-CZ2 3.93Å; L834-W957 HydrophobicContact CD2-CZ3 3.95Å; L834-W957 HydrophobicContact CG-CH2 4.46Å; L834-W957 HydrophobicContact CG-CZ2 4.47Å
835	T	96.9	Very high	94.6	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-48.2	-177.8	-58.9	0	0	0	0	112.8	G685 L690 R691 K831 P832 L833 T837 H839	G685-T835 VanDerWaalsContact O-CB 3.3Å; G685-T835 WeakPolarHBondContact O-CB 3.41Å; G685-T835 WeakPolarHBondContact O-CG2 3.36Å; L690-T835 HydrophobicContact CB-CG2 4.03Å; R691-T835 HydrophobicContact CB-CG2 4.16Å; R691-T835 HydrophobicContact CG-CG2 4.27Å; R691-T835 PolarHBondContact NH1-OG1 3.3Å; K831-T835 WeakPolarHBondContact O-CB 3.45Å; K831-T835 PolarHBondContact O-N 3.44Å; K831-T835 PolarHBondContact O-OG1 3.11Å; P832-T835 PolarHBondContact O-N 3.42Å; L833-T835 VanDerWaalsContact C-N 3.28Å; L833-T835 PolarHBondContact O-N 2.86Å; T835-T837 VanDerWaalsContact C-N 3.32Å; T835-T837 PolarHBondContact O-N 3.29Å; T835-H839 VanDerWaalsContact O-CB 3.25Å; T835-H839 WeakPolarHBondContact O-CB 3.33Å; T835-H839 PolarHBondContact O-N 2.96Å
836	S	95.4	Very high	94.4	Very high	75 Å²	75	42.7 Å²	42.7	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-37.3	175.6	60.7	0	0	0	0	112.5	P832 L833 G840	P832-S836 PolarHBondContact O-N 2.89Å; P832-S836 PolarHBondContact O-OG 3.45Å; L833-S836 PolarHBondContact O-OG 3.03Å; S836-G840 PolarHBondContact O-N 2.86Å; S836-G840 VanDerWaalsContact O-N 3.12Å
837	T	96.1	Very high	94.4	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-46.6	-179.2	-59.8	0	0	0	0	112.5	L833 L834 T835 G840 L841 L918	L833-T837 VanDerWaalsContact O-CB 3.23Å; L833-T837 WeakPolarHBondContact O-CB 3.32Å; L833-T837 PolarHBondContact O-N 3.25Å; L833-T837 VanDerWaalsContact O-N 3.14Å; L833-T837 PolarHBondContact O-OG1 2.92Å; L834-T837 PolarHBondContact O-N 2.97Å; T835-T837 VanDerWaalsContact C-N 3.32Å; T835-T837 PolarHBondContact O-N 3.29Å; T837-G840 PolarHBondContact O-N 3.16Å; T837-L841 PolarHBondContact O-N 3.09Å; T837-L841 VanDerWaalsContact O-N 3.13Å; T837-L918 HydrophobicContact CG2-CB 3.77Å; T837-L918 HydrophobicContact CG2-CD1 4.03Å; T837-L918 HydrophobicContact CG2-CD2 4.13Å; T837-L918 HydrophobicContact CG2-CG 4.19Å
838	L	97.2	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-74.6	-28	178.4	-66.9	-176.3	0	0	0	112.9	R691 L834 G840 L841 Q842 F848 D874 A878 L918	R691-L838 HydrophobicContact CB-CB 4.24Å; L834-L838 HydrophobicContact CD1-CD1 3.68Å; L834-L838 HydrophobicContact CD1-CG 3.88Å; L834-L838 HydrophobicContact CD2-CD1 4.4Å; L834-L838 HydrophobicContact CG-CD1 3.79Å; L834-L838 HydrophobicContact CG-CG 4.24Å; L834-L838 WeakPolarHBondContact O-CB 3.49Å; L834-L838 WeakPolarHBondContact O-CG 3.3Å; L834-L838 PolarHBondContact O-N 3.37Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.17Å; L838-L841 HydrophobicContact CD2-CD2 4.25Å; L838-L841 PolarHBondContact O-N 3.03Å; L838-Q842 PolarHBondContact O-N 2.9Å; L838-F848 HydrophobicContact CB-CE1 4.19Å; L838-F848 HydrophobicContact CB-CZ 4.35Å; L838-F848 HydrophobicContact CD1-CZ 4.33Å; L838-F848 HydrophobicContact CD2-CE1 4.5Å; L838-F848 HydrophobicContact CD2-CZ 3.91Å; L838-F848 HydrophobicContact CG-CZ 4.44Å; L838-D874 HydrophobicContact CD1-CB 3.65Å; L838-A878 HydrophobicContact CD2-CB 4.01Å; L838-L918 HydrophobicContact CD2-CD2 3.96Å
839	H	96.9	Very high	94.8	Very high	48 Å²	48	39.6 Å²	39.6	22%	0.222	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-44.2	165.5	-177.1	111.7	0	0	0	110.5	L690 R691 Y692 T835 L841 Q842 Q843	L690-H839 PolarHBondContact O-ND1 2.91Å; R691-H839 HydrophobicContact CB-CB 4.34Å; Y692-H839 AromaticContact CE2-CE1 3.91Å; T835-H839 VanDerWaalsContact O-CB 3.25Å; T835-H839 WeakPolarHBondContact O-CB 3.33Å; T835-H839 PolarHBondContact O-N 2.96Å; H839-L841 VanDerWaalsContact C-N 3.31Å; H839-L841 PolarHBondContact O-N 3.38Å; H839-Q842 WeakPolarHBondContact O-CB 3.33Å; H839-Q842 PolarHBondContact O-N 2.83Å; H839-Q843 PolarHBondContact NE2-NE2 2.77Å; H839-Q843 WeakPolarHBondContact O-CG 3.47Å; H839-Q843 PolarHBondContact O-N 3.3Å; H839-Q843 VanDerWaalsContact O-N 3.13Å
840	G	95.9	Very high	94.9	Very high	25 Å²	25	36.3 Å²	36.3	26%	0.258	20%	0.196	S	C	.	.	H	α-helix	trans	-58	-40.1	174	0	0	0	0	0	113.4	S836 T837 L838 Q843 Q844	S836-G840 PolarHBondContact O-N 2.86Å; S836-G840 VanDerWaalsContact O-N 3.12Å; T837-G840 PolarHBondContact O-N 3.16Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.17Å; G840-Q843 PolarHBondContact O-N 3.21Å; G840-Q844 WeakPolarHBondContact O-CG 3.41Å; G840-Q844 PolarHBondContact O-N 3.28Å
841	L	95.5	Very high	95.1	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-43.2	174.2	-178	58.6	0	0	0	112.1	T837 L838 H839 Q843 Q844 Q845 F848 A878 F881 L882	T837-L841 PolarHBondContact O-N 3.09Å; T837-L841 VanDerWaalsContact O-N 3.13Å; L838-L841 HydrophobicContact CD2-CD2 4.25Å; L838-L841 PolarHBondContact O-N 3.03Å; H839-L841 VanDerWaalsContact C-N 3.31Å; H839-L841 PolarHBondContact O-N 3.38Å; L841-Q843 VanDerWaalsContact C-N 3.3Å; L841-Q843 PolarHBondContact O-N 3.1Å; L841-Q844 CarbonylContact O-C 3.52Å; L841-Q844 PolarHBondContact O-N 3.32Å; L841-Q845 HydrophobicContact CD1-CB 4.43Å; L841-Q845 HydrophobicContact CD1-CG 3.93Å; L841-Q845 PolarHBondContact O-N 3.08Å; L841-F848 HydrophobicContact CD2-CD2 3.8Å; L841-F848 HydrophobicContact CD2-CE1 4.42Å; L841-F848 HydrophobicContact CD2-CE2 3.69Å; L841-F848 HydrophobicContact CD2-CG 4.24Å; L841-F848 HydrophobicContact CD2-CZ 4.02Å; L841-F848 HydrophobicContact CG-CD1 4.43Å; L841-F848 HydrophobicContact CG-CD2 4.27Å; L841-F848 HydrophobicContact CG-CG 4.23Å; L841-A878 HydrophobicContact CD2-CB 3.79Å; L841-F881 HydrophobicContact CD1-CB 4.41Å; L841-L882 HydrophobicContact CD1-CD2 4.25Å
842	Q	95.1	Very high	95.2	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-38.5	176.1	174.4	60.2	25.9	0	0	112.7	Y692 L838 H839 Q844 Q845 P846 F848	Y692-Q842 HydrophobicContact CD1-CG 4.4Å; Y692-Q842 HydrophobicContact CD2-CB 4.37Å; Y692-Q842 HydrophobicContact CD2-CG 3.65Å; Y692-Q842 HydrophobicContact CE2-CG 4.26Å; Y692-Q842 HydrophobicContact CG-CG 3.75Å; L838-Q842 PolarHBondContact O-N 2.9Å; H839-Q842 WeakPolarHBondContact O-CB 3.33Å; H839-Q842 PolarHBondContact O-N 2.83Å; Q842-Q844 PolarHBondContact O-N 3.43Å; Q842-Q845 CarbonylContact O-C 3.59Å; Q842-Q845 PolarHBondContact O-N 3.28Å; Q842-P846 PolarHBondContact NE2-O 3.08Å; Q842-F848 HydrophobicContact CB-CD1 4.12Å
843	Q	93.5	Very high	95.3	Very high	114 Å²	114	31.1 Å²	31.1	53%	0.533	17%	0.173	S	C	.	.	H	α-helix	trans	-68.1	-23.3	176.6	-57.7	-52.5	-26.7	0	0	112.9	H839 G840 L841	H839-Q843 PolarHBondContact NE2-NE2 2.77Å; H839-Q843 WeakPolarHBondContact O-CG 3.47Å; H839-Q843 PolarHBondContact O-N 3.3Å; H839-Q843 VanDerWaalsContact O-N 3.13Å; G840-Q843 PolarHBondContact O-N 3.21Å; L841-Q843 VanDerWaalsContact C-N 3.3Å; L841-Q843 PolarHBondContact O-N 3.1Å
844	Q	92.4	Very high	95.5	Very high	132 Å²	132	27.7 Å²	27.7	62%	0.617	15%	0.154	S	C	*	.	H	α-helix	trans	-90.9	-24.9	175.7	-64.7	173.7	21.6	0	0	112.9	G840 L841 Q842	G840-Q844 WeakPolarHBondContact O-CG 3.41Å; G840-Q844 PolarHBondContact O-N 3.28Å; L841-Q844 CarbonylContact O-C 3.52Å; L841-Q844 PolarHBondContact O-N 3.32Å; Q842-Q844 PolarHBondContact O-N 3.43Å
845	Q	93.1	Very high	95.6	Very high	45 Å²	45	27.3 Å²	27.3	21%	0.21	15%	0.153	C	C	.	.	S	Bend	trans	-136.4	82.7	-170.9	-63.8	-61.1	-37.3	0	0	109.8	L841 Q842 C847 F848 F881	L841-Q845 HydrophobicContact CD1-CB 4.43Å; L841-Q845 HydrophobicContact CD1-CG 3.93Å; L841-Q845 PolarHBondContact O-N 3.08Å; Q842-Q845 CarbonylContact O-C 3.59Å; Q842-Q845 PolarHBondContact O-N 3.28Å; Q845-C847 PolarHBondContact O-N 3.06Å; Q845-F848 HydrophobicContact CB-CB 4.18Å; Q845-F848 VanDerWaalsContact O-CB 3.25Å; Q845-F848 WeakPolarHBondContact O-CB 3.46Å; Q845-F848 PolarHBondContact O-N 2.68Å; Q845-F881 HydrophobicContact CB-CD1 3.68Å; Q845-F881 HydrophobicContact CB-CE1 3.95Å; Q845-F881 HydrophobicContact CB-CG 4.48Å; Q845-F881 HydrophobicContact CG-CB 4.42Å; Q845-F881 HydrophobicContact CG-CD1 3.72Å; Q845-F881 HydrophobicContact CG-CE1 4.45Å; Q845-F881 HydrophobicContact CG-CG 4.4Å
846	P	89.3	Confident	95.6	Very high	73 Å²	73	27.4 Å²	27.4	47%	0.474	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21	-165.2	-29.5	36.7	0	0	0	116.8	Q842	Q842-P846 PolarHBondContact NE2-O 3.08Å
847	C	92.1	Very high	95.7	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.074	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.7	177.1	80.4	0	0	0	0	114.8	Q845 G849 A850 V851 P890	Q845-C847 PolarHBondContact O-N 3.06Å; C847-G849 PolarHBondContact O-N 3.41Å; C847-A850 PolarHBondContact O-N 3.24Å; C847-A850 VanDerWaalsContact O-N 3.09Å; C847-V851 PolarHBondContact O-N 3.04Å; C847-P890 PolarHBondContact SG-O 2.75Å
848	F	96.6	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.1	-50.2	-176.6	163.6	-102.4	0	0	0	112.5	T693 L838 L841 Q842 Q845 A850 V851 C852 V877 A878 F881	T693-F848 HydrophobicContact CG2-CE1 3.77Å; T693-F848 HydrophobicContact CG2-CZ 4.2Å; L838-F848 HydrophobicContact CB-CE1 4.19Å; L838-F848 HydrophobicContact CB-CZ 4.35Å; L838-F848 HydrophobicContact CD1-CZ 4.33Å; L838-F848 HydrophobicContact CD2-CE1 4.5Å; L838-F848 HydrophobicContact CD2-CZ 3.91Å; L838-F848 HydrophobicContact CG-CZ 4.44Å; L841-F848 HydrophobicContact CD2-CD2 3.8Å; L841-F848 HydrophobicContact CD2-CE1 4.42Å; L841-F848 HydrophobicContact CD2-CE2 3.69Å; L841-F848 HydrophobicContact CD2-CG 4.24Å; L841-F848 HydrophobicContact CD2-CZ 4.02Å; L841-F848 HydrophobicContact CG-CD1 4.43Å; L841-F848 HydrophobicContact CG-CD2 4.27Å; L841-F848 HydrophobicContact CG-CG 4.23Å; Q842-F848 HydrophobicContact CB-CD1 4.12Å; Q845-F848 HydrophobicContact CB-CB 4.18Å; Q845-F848 VanDerWaalsContact O-CB 3.25Å; Q845-F848 WeakPolarHBondContact O-CB 3.46Å; Q845-F848 PolarHBondContact O-N 2.68Å; F848-A850 VanDerWaalsContact C-N 3.35Å; F848-A850 PolarHBondContact O-N 3.28Å; F848-V851 PolarHBondContact O-N 2.84Å; F848-C852 WeakPolarHBondContact CE2-SG 3.2Å; F848-C852 WeakPolarHBondContact CZ-SG 3.41Å; F848-C852 PolarHBondContact O-N 3.42Å; F848-C852 PolarHBondContact O-SG 2.9Å; F848-V877 HydrophobicContact CD2-CG1 4Å; F848-V877 HydrophobicContact CE2-CB 4.48Å; F848-V877 HydrophobicContact CE2-CG1 4.02Å; F848-A878 HydrophobicContact CE2-CB 3.94Å; F848-A878 HydrophobicContact CZ-CB 4.44Å; F848-F881 HydrophobicContact CB-CD2 4.49Å; F848-F881 HydrophobicContact CB-CE1 4.38Å; F848-F881 HydrophobicContact CB-CE2 4.1Å; F848-F881 HydrophobicContact CB-CZ 4.04Å; F848-F881 AromaticContact CD2-CD2 3.82Å; F848-F881 HydrophobicContact CD2-CD2 3.82Å; F848-F881 AromaticContact CD2-CE2 3.88Å; F848-F881 HydrophobicContact CD2-CE2 3.88Å; F848-F881 HydrophobicContact CG-CE2 4.5Å
849	G	96.4	Very high	95.8	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-59.2	-41.2	178.1	0	0	0	0	0	113.4	Y692 C847 C852 R853	Y692-G849 WeakPolarHBondContact O-CA 3.48Å; C847-G849 PolarHBondContact O-N 3.41Å; G849-C852 PolarHBondContact O-N 3.16Å; G849-R853 WeakPolarHBondContact O-CB 3.41Å; G849-R853 WeakPolarHBondContact O-CD 3.46Å; G849-R853 WeakPolarHBondContact O-CG 3.32Å; G849-R853 PolarHBondContact O-N 2.73Å
850	A	95.7	Very high	95.8	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-39.8	176.3	0	0	0	0	0	112	I642 C847 F848 R853 L854 P893	I642-A850 HydrophobicContact CD1-CB 4.46Å; C847-A850 PolarHBondContact O-N 3.24Å; C847-A850 VanDerWaalsContact O-N 3.09Å; F848-A850 VanDerWaalsContact C-N 3.35Å; F848-A850 PolarHBondContact O-N 3.28Å; A850-R853 PolarHBondContact O-N 3.24Å; A850-L854 PolarHBondContact O-N 2.98Å; A850-P893 HydrophobicContact CB-CB 4.11Å; A850-P893 HydrophobicContact CB-CG 3.83Å
851	V	97.6	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-45.9	173.5	-178	0	0	0	0	111.1	C847 F848 R853 L854 A855 V877 F881 G896	C847-V851 PolarHBondContact O-N 3.04Å; F848-V851 PolarHBondContact O-N 2.84Å; V851-R853 PolarHBondContact O-N 2.75Å; V851-L854 PolarHBondContact O-N 2.83Å; V851-A855 WeakPolarHBondContact O-CB 3.47Å; V851-A855 PolarHBondContact O-N 2.7Å; V851-V877 HydrophobicContact CB-CG1 3.83Å; V851-V877 HydrophobicContact CG1-CB 4.49Å; V851-V877 HydrophobicContact CG1-CG1 3.49Å; V851-V877 VanDerWaalsContact CG1-CG1 3.49Å; V851-V877 HydrophobicContact CG1-CG2 4.14Å; V851-F881 HydrophobicContact CB-CE2 4.39Å; V851-F881 HydrophobicContact CG2-CE2 4.32Å; V851-F881 HydrophobicContact CG2-CZ 4.04Å; V851-G896 VanDerWaalsContact CG1-C 3.49Å
852	C	98.3	Very high	95.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.8	-38.4	175.6	-68.2	0	0	0	0	112	T693 F848 G849 K856 D874 V877	T693-C852 HydrophobicContact CG2-CB 3.69Å; F848-C852 WeakPolarHBondContact CE2-SG 3.2Å; F848-C852 WeakPolarHBondContact CZ-SG 3.41Å; F848-C852 PolarHBondContact O-N 3.42Å; F848-C852 PolarHBondContact O-SG 2.9Å; G849-C852 PolarHBondContact O-N 3.16Å; C852-K856 WeakPolarHBondContact O-CB 3.37Å; C852-K856 VanDerWaalsContact O-CG 3.24Å; C852-K856 WeakPolarHBondContact O-CG 3.46Å; C852-K856 PolarHBondContact O-N 2.8Å; C852-D874 WeakPolarHBondContact CB-OD1 3.38Å; C852-V877 WeakPolarHBondContact SG-CG1 3.41Å
853	R	97.6	Very high	95.9	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-75.8	-38.8	-178.4	-68.4	169.9	56.3	-173.3	-9.9	112.6	I642 T651 G652 Y692 Q694 V695 G849 A850 V851 R857	I642-R853 HydrophobicContact CD1-CB 4.16Å; I642-R853 HydrophobicContact CG2-CB 4.18Å; I642-R853 PolarHBondContact O-NH2 3.13Å; T651-R853 PolarHBondContact O-NH1 3.27Å; T651-R853 PolarHBondContact O-NH2 3.48Å; G652-R853 VanDerWaalsContact C-NH1 3.33Å; G652-R853 PolarHBondContact O-NH1 3.05Å; Y692-R853 WeakPolarHBondContact O-CD 3.3Å; Q694-R853 WeakPolarHBondContact O-CD 3.41Å; Q694-R853 WeakPolarHBondContact O-CG 3.38Å; Q694-R853 PolarHBondContact O-NE 3.26Å; V695-R853 VanDerWaalsContact O-CZ 3.28Å; V695-R853 PolarHBondContact O-NE 2.83Å; V695-R853 PolarHBondContact O-NH2 2.96Å; G849-R853 WeakPolarHBondContact O-CB 3.41Å; G849-R853 WeakPolarHBondContact O-CD 3.46Å; G849-R853 WeakPolarHBondContact O-CG 3.32Å; G849-R853 PolarHBondContact O-N 2.73Å; A850-R853 PolarHBondContact O-N 3.24Å; V851-R853 PolarHBondContact O-N 2.75Å; R853-R857 VanDerWaalsContact O-CB 3.24Å; R853-R857 WeakPolarHBondContact O-CB 3.13Å; R853-R857 PolarHBondContact O-N 2.81Å
854	L	97.5	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.4	-47.2	169.3	-72.7	177.5	0	0	0	111.2	V638 V641 I642 A850 V851 K856 R857 W858 P893 F897	V638-L854 HydrophobicContact CG1-CD2 4.09Å; V641-L854 HydrophobicContact CG2-CD2 4Å; I642-L854 HydrophobicContact CD1-CD2 3.93Å; I642-L854 HydrophobicContact CD1-CG 3.86Å; I642-L854 HydrophobicContact CG1-CD2 3.83Å; I642-L854 HydrophobicContact CG1-CG 4.33Å; I642-L854 HydrophobicContact CG2-CD2 4.03Å; A850-L854 PolarHBondContact O-N 2.98Å; V851-L854 PolarHBondContact O-N 2.83Å; L854-K856 PolarHBondContact O-N 2.93Å; L854-R857 PolarHBondContact O-N 3.29Å; L854-W858 WeakPolarHBondContact O-CB 3.36Å; L854-W858 PolarHBondContact O-N 2.78Å; L854-P893 HydrophobicContact CD1-CB 3.63Å; L854-F897 HydrophobicContact CB-CB 4.11Å; L854-F897 HydrophobicContact CB-CD2 3.69Å; L854-F897 HydrophobicContact CB-CE2 4.35Å; L854-F897 HydrophobicContact CB-CG 3.96Å; L854-F897 HydrophobicContact CD1-CB 3.88Å; L854-F897 HydrophobicContact CD1-CG 4.31Å
855	A	98.3	Very high	95.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.7	-49.9	177.6	0	0	0	0	0	112.2	V851 W858 L859 V877 F900	V851-A855 WeakPolarHBondContact O-CB 3.47Å; V851-A855 PolarHBondContact O-N 2.7Å; A855-W858 PolarHBondContact O-N 3.21Å; A855-L859 WeakPolarHBondContact O-CG 3.37Å; A855-L859 PolarHBondContact O-N 3.29Å; A855-V877 HydrophobicContact CB-CG2 3.69Å; A855-F900 HydrophobicContact CB-CD1 3.64Å; A855-F900 HydrophobicContact CB-CD2 3.92Å; A855-F900 HydrophobicContact CB-CE1 3.59Å; A855-F900 HydrophobicContact CB-CE2 3.87Å; A855-F900 HydrophobicContact CB-CG 3.8Å; A855-F900 HydrophobicContact CB-CZ 3.71Å
856	K	98.1	Very high	95.6	Very high	6 Å²	6	12.6 Å²	12.6	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-66.1	-38.6	176	-73.3	173.3	-174.3	-175.5	0	113.3	T693 V695 C852 L854 W858 L859 A860 E870 A873 D874	T693-K856 WeakPolarHBondContact O-CD 3.27Å; T693-K856 PolarHBondContact O-NZ 3.43Å; T693-K856 PolarHBondContact OG1-NZ 2.88Å; T693-K856 VanDerWaalsContact OG1-NZ 3.11Å; V695-K856 HydrophobicContact CG2-CB 3.38Å; V695-K856 HydrophobicContact CG2-CD 3.94Å; V695-K856 HydrophobicContact CG2-CG 4.33Å; C852-K856 WeakPolarHBondContact O-CB 3.37Å; C852-K856 VanDerWaalsContact O-CG 3.24Å; C852-K856 WeakPolarHBondContact O-CG 3.46Å; C852-K856 PolarHBondContact O-N 2.8Å; L854-K856 PolarHBondContact O-N 2.93Å; K856-W858 VanDerWaalsContact C-N 3.31Å; K856-W858 PolarHBondContact O-N 2.71Å; K856-L859 PolarHBondContact O-N 3.09Å; K856-A860 VanDerWaalsContact O-CB 3.24Å; K856-A860 WeakPolarHBondContact O-CB 3.43Å; K856-A860 PolarHBondContact O-N 3.12Å; K856-E870 HydrophobicContact CD-CB 4.22Å; K856-E870 HydrophobicContact CD-CG 4.07Å; K856-E870 WeakPolarHBondContact CE-O 3.46Å; K856-E870 PolarHBondContact NZ-O 2.83Å; K856-E870 IonicContact NZ-OE1 3.72Å; K856-A873 HydrophobicContact CG-CB 3.76Å; K856-D874 WeakPolarHBondContact CE-OD1 3.31Å; K856-D874 IonicContact NZ-OD1 3.86Å; K856-D874 PolarHBondContact NZ-OD1 2.84Å; K856-D874 IonicContact NZ-OD2 2.78Å; K856-D874 PolarHBondContact NZ-OD2 2.91Å
857	R	97.3	Very high	95.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-42.9	177.2	-172.6	72.7	-162.6	97.8	-19.2	110.8	V641 I642 V695 R853 L854 A861 H1021 D1074 Y1076	V641-R857 HydrophobicContact CB-CG 4.21Å; V641-R857 HydrophobicContact CG2-CG 4.11Å; V641-R857 WeakPolarHBondContact O-CD 3.31Å; V641-R857 WeakPolarHBondContact O-CG 3.35Å; I642-R857 HydrophobicContact CG2-CB 3.87Å; I642-R857 HydrophobicContact CG2-CG 4.24Å; V695-R857 HydrophobicContact CG1-CB 3.86Å; V695-R857 HydrophobicContact CG1-CG 4.38Å; R853-R857 VanDerWaalsContact O-CB 3.24Å; R853-R857 WeakPolarHBondContact O-CB 3.13Å; R853-R857 PolarHBondContact O-N 2.81Å; L854-R857 PolarHBondContact O-N 3.29Å; R857-A861 VanDerWaalsContact O-CB 3.29Å; R857-A861 WeakPolarHBondContact O-CB 3.46Å; R857-A861 PolarHBondContact O-N 3.22Å; R857-H1021 PolarHBondContact NE-O 2.86Å; R857-H1021 PolarHBondContact NH2-O 2.71Å; R857-D1074 IonicContact CZ-OD1 2.7Å; R857-D1074 IonicContact CZ-OD2 2.67Å; R857-D1074 VanDerWaalsContact NH1-CG 3.3Å; R857-D1074 IonicContact NH1-OD1 3.01Å; R857-D1074 PolarHBondContact NH1-OD1 3.41Å; R857-D1074 IonicContact NH1-OD2 2.69Å; R857-D1074 PolarHBondContact NH1-OD2 3.14Å; R857-D1074 IonicContact NH2-OD1 3.65Å; R857-D1074 IonicContact NH2-OD2 3.9Å; R857-D1074 PolarHBondContact NH2-OD2 3.39Å; R857-Y1076 PolarHBondContact NH2-O 2.84Å
858	W	97.8	Very high	96	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.4	-48	175.2	179.5	84.3	0	0	0	112.1	L854 A855 K856 A860 A861 Q862 F864 F897 F900 L901 L904 V973 A974 S977 I997 M998	L854-W858 WeakPolarHBondContact O-CB 3.36Å; L854-W858 PolarHBondContact O-N 2.78Å; A855-W858 PolarHBondContact O-N 3.21Å; K856-W858 VanDerWaalsContact C-N 3.31Å; K856-W858 PolarHBondContact O-N 2.71Å; W858-A860 VanDerWaalsContact C-N 3.29Å; W858-A860 PolarHBondContact O-N 2.84Å; W858-A861 PolarHBondContact O-N 2.85Å; W858-Q862 HydrophobicContact CD2-CG 4.29Å; W858-Q862 HydrophobicContact CG-CG 4.49Å; W858-Q862 HydrophobicContact CZ2-CG 4.2Å; W858-Q862 VanDerWaalsContact O-CB 3.3Å; W858-Q862 WeakPolarHBondContact O-CB 3.42Å; W858-Q862 PolarHBondContact O-N 3.46Å; W858-F864 HydrophobicContact CH2-CE2 4.38Å; W858-F864 HydrophobicContact CZ3-CD2 4.5Å; W858-F897 HydrophobicContact CB-CE2 3.64Å; W858-F897 HydrophobicContact CB-CZ 3.74Å; W858-F897 AromaticContact CD1-CZ 3.86Å; W858-F897 HydrophobicContact CG-CE2 4.02Å; W858-F897 AromaticContact CG-CZ 3.8Å; W858-F897 HydrophobicContact CG-CZ 3.8Å; W858-F900 HydrophobicContact CE3-CE1 4.03Å; W858-F900 HydrophobicContact CZ3-CE1 4.35Å; W858-L901 HydrophobicContact CD2-CD2 3.68Å; W858-L901 VanDerWaalsContact CE2-CD2 3.48Å; W858-L901 HydrophobicContact CE3-CD2 3.98Å; W858-L901 HydrophobicContact CG-CD2 4.28Å; W858-L901 HydrophobicContact CH2-CD2 3.97Å; W858-L901 HydrophobicContact CZ2-CD2 3.63Å; W858-L901 HydrophobicContact CZ3-CD2 4.13Å; W858-L904 HydrophobicContact CE3-CD1 4.47Å; W858-L904 HydrophobicContact CH2-CD1 4.15Å; W858-L904 HydrophobicContact CZ3-CD1 3.6Å; W858-V973 HydrophobicContact CZ2-CG1 3.93Å; W858-A974 HydrophobicContact CH2-CB 3.75Å; W858-A974 HydrophobicContact CZ2-CB 4.18Å; W858-S977 PolarHBondContact NE1-OG 3.18Å; W858-I997 VanDerWaalsContact CD1-O 3.25Å; W858-I997 PolarHBondContact NE1-O 3.2Å; W858-I997 VanDerWaalsContact NE1-O 3.09Å; W858-M998 VanDerWaalsContact CA-SD 3.59Å; W858-M998 HydrophobicContact CB-CE 4.14Å; W858-M998 HydrophobicContact CB-SD 3.7Å; W858-M998 HydrophobicContact CG-SD 4.15Å
859	L	97.9	Very high	95.9	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-56.7	-43.6	175.1	-75	171.3	0	0	0	111.9	A855 K856 L863 F864 I868 A873 F900	A855-L859 WeakPolarHBondContact O-CG 3.37Å; A855-L859 PolarHBondContact O-N 3.29Å; K856-L859 PolarHBondContact O-N 3.09Å; L859-L863 PolarHBondContact O-N 2.58Å; L859-F864 HydrophobicContact CD2-CB 3.97Å; L859-F864 HydrophobicContact CD2-CD2 4.38Å; L859-F864 PolarHBondContact O-N 3.02Å; L859-I868 HydrophobicContact CD1-CB 4.01Å; L859-I868 HydrophobicContact CD1-CG2 3.66Å; L859-I868 HydrophobicContact CD2-CB 4.15Å; L859-I868 HydrophobicContact CD2-CD1 4.03Å; L859-I868 HydrophobicContact CD2-CG2 4.49Å; L859-A873 HydrophobicContact CD1-CB 3.73Å; L859-F900 HydrophobicContact CD1-CZ 4.05Å; L859-F900 HydrophobicContact CG-CZ 4.22Å
860	A	96.6	Very high	95.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-46.4	178.3	0	0	0	0	0	112.8	K856 W858 L863 S865 P1075 Y1076	K856-A860 VanDerWaalsContact O-CB 3.24Å; K856-A860 WeakPolarHBondContact O-CB 3.43Å; K856-A860 PolarHBondContact O-N 3.12Å; W858-A860 VanDerWaalsContact C-N 3.29Å; W858-A860 PolarHBondContact O-N 2.84Å; A860-L863 PolarHBondContact O-N 3.22Å; A860-L863 VanDerWaalsContact O-N 3.12Å; A860-S865 VanDerWaalsContact CA-OG 3.24Å; A860-S865 WeakPolarHBondContact CA-OG 3.42Å; A860-S865 WeakPolarHBondContact CB-OG 3.26Å; A860-P1075 HydrophobicContact CB-CG 4.04Å; A860-Y1076 HydrophobicContact CB-CD2 3.55Å; A860-Y1076 HydrophobicContact CB-CE2 3.65Å
861	A	96.1	Very high	95.8	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-70.5	-35.8	-179.5	0	0	0	0	0	112.5	R857 W858 L863 M998 P1000 V1023	R857-A861 VanDerWaalsContact O-CB 3.29Å; R857-A861 WeakPolarHBondContact O-CB 3.46Å; R857-A861 PolarHBondContact O-N 3.22Å; W858-A861 PolarHBondContact O-N 2.85Å; A861-L863 PolarHBondContact O-N 2.96Å; A861-M998 CarbonylContact C-O 3.59Å; A861-M998 HydrophobicContact CB-CB 4.16Å; A861-M998 WeakPolarHBondContact CB-O 3.37Å; A861-P1000 VanDerWaalsContact O-CD 3.32Å; A861-P1000 WeakPolarHBondContact O-CD 3.42Å; A861-P1000 WeakPolarHBondContact O-CG 3.47Å; A861-V1023 HydrophobicContact CB-CG2 3.66Å
862	Q	96	Very high	95.7	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.023	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	9.5	170.6	-68.9	-63.6	-18	0	0	114.1	W858 F864 V973 I997 R999	W858-Q862 HydrophobicContact CD2-CG 4.29Å; W858-Q862 HydrophobicContact CG-CG 4.49Å; W858-Q862 HydrophobicContact CZ2-CG 4.2Å; W858-Q862 VanDerWaalsContact O-CB 3.3Å; W858-Q862 WeakPolarHBondContact O-CB 3.42Å; W858-Q862 PolarHBondContact O-N 3.46Å; Q862-F864 HydrophobicContact CB-CD2 3.61Å; Q862-F864 HydrophobicContact CB-CE2 3.6Å; Q862-F864 WeakPolarHBondContact O-CD2 3.39Å; Q862-V973 HydrophobicContact CB-CG1 4.45Å; Q862-V973 HydrophobicContact CG-CG1 3.98Å; Q862-I997 PolarHBondContact NE2-O 2.85Å; Q862-R999 PolarHBondContact NE2-O 3.11Å
863	L	95.5	Very high	95.7	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.063	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	33.6	169.8	-54.9	177.7	0	0	0	115.1	L859 A860 A861 P1000 Y1005 F1072 C1073	L859-L863 PolarHBondContact O-N 2.58Å; A860-L863 PolarHBondContact O-N 3.22Å; A860-L863 VanDerWaalsContact O-N 3.12Å; A861-L863 PolarHBondContact O-N 2.96Å; L863-P1000 HydrophobicContact CD1-CB 3.91Å; L863-P1000 HydrophobicContact CD1-CG 3.92Å; L863-P1000 HydrophobicContact CG-CB 4.1Å; L863-P1000 HydrophobicContact CG-CG 4.09Å; L863-Y1005 HydrophobicContact CD1-CE2 4.1Å; L863-Y1005 WeakPolarHBondContact CD1-OH 3.44Å; L863-F1072 HydrophobicContact CB-CB 4.07Å; L863-F1072 HydrophobicContact CB-CD1 4.39Å; L863-F1072 HydrophobicContact CD1-CB 4.15Å; L863-F1072 HydrophobicContact CD2-CB 4.39Å; L863-F1072 HydrophobicContact CG-CB 4.43Å; L863-F1072 WeakPolarHBondContact O-CD1 3.37Å; L863-C1073 VanDerWaalsContact CD2-C 3.41Å
864	F	95.4	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.			trans	-112.6	7.7	-176.7	-59.5	-52.8	0	0	0	115.3	W858 L859 Q862 E866 D867 I868 M966 R969 V970 V973	W858-F864 HydrophobicContact CH2-CE2 4.38Å; W858-F864 HydrophobicContact CZ3-CD2 4.5Å; L859-F864 HydrophobicContact CD2-CB 3.97Å; L859-F864 HydrophobicContact CD2-CD2 4.38Å; L859-F864 PolarHBondContact O-N 3.02Å; Q862-F864 HydrophobicContact CB-CD2 3.61Å; Q862-F864 HydrophobicContact CB-CE2 3.6Å; Q862-F864 WeakPolarHBondContact O-CD2 3.39Å; F864-E866 PolarHBondContact O-N 3.13Å; F864-E866 VanDerWaalsContact O-N 3.16Å; F864-D867 PolarHBondContact O-N 3.31Å; F864-I868 PolarHBondContact O-N 3Å; F864-M966 HydrophobicContact CD1-CE 3.95Å; F864-M966 HydrophobicContact CE1-CE 4.03Å; F864-R969 HydrophobicContact CE1-CB 4.39Å; F864-R969 HydrophobicContact CE1-CG 3.97Å; F864-R969 HydrophobicContact CZ-CG 4.01Å; F864-V970 HydrophobicContact CB-CG2 4.19Å; F864-V970 HydrophobicContact CD1-CG2 3.57Å; F864-V970 HydrophobicContact CD2-CG2 3.77Å; F864-V970 HydrophobicContact CE1-CG2 3.72Å; F864-V970 HydrophobicContact CE2-CB 4.49Å; F864-V970 HydrophobicContact CE2-CG2 3.91Å; F864-V970 HydrophobicContact CG-CG2 3.6Å; F864-V970 HydrophobicContact CZ-CG2 3.89Å; F864-V973 HydrophobicContact CE2-CB 4.13Å; F864-V973 HydrophobicContact CE2-CG1 4.19Å; F864-V973 HydrophobicContact CE2-CG2 4.49Å; F864-V973 HydrophobicContact CZ-CB 4.19Å; F864-V973 HydrophobicContact CZ-CG2 4.09Å
865	S	89.6	Confident	95.8	Very high	40 Å²	40	15.1 Å²	15.1	28%	0.28	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.6	-175.1	-68.2	0	0	0	0	115.9	A860	A860-S865 VanDerWaalsContact CA-OG 3.24Å; A860-S865 WeakPolarHBondContact CA-OG 3.42Å; A860-S865 WeakPolarHBondContact CB-OG 3.26Å
866	E	88.1	Confident	95.8	Very high	108 Å²	108	15.1 Å²	15.1	51%	0.505	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-33.2	173.8	-51.2	-64.3	164.1	0	0	111.7	F864 R1062	F864-E866 PolarHBondContact O-N 3.13Å; F864-E866 VanDerWaalsContact O-N 3.16Å; E866-R1062 VanDerWaalsContact CD-NH1 3.31Å; E866-R1062 IonicContact OE1-CZ 3.41Å; E866-R1062 IonicContact OE1-NH1 3.79Å; E866-R1062 PolarHBondContact OE1-NH1 3.5Å; E866-R1062 IonicContact OE1-NH2 2.7Å; E866-R1062 PolarHBondContact OE1-NH2 3.15Å; E866-R1062 IonicContact OE2-NH1 3.7Å
867	D	92.8	Very high	95.8	Very high	20 Å²	20	14.8 Å²	14.8	11%	0.107	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-37.9	-176.5	-72.5	-74.3	0	0	0	112.2	F864 A961 P962 M966	F864-D867 PolarHBondContact O-N 3.31Å; D867-A961 CarbonylContact O-C 3.55Å; D867-P962 HydrophobicContact CB-CB 4.1Å; D867-P962 VanDerWaalsContact O-CD 3.29Å; D867-P962 WeakPolarHBondContact O-CD 3.03Å; D867-P962 VanDerWaalsContact O-N 3.11Å; D867-M966 HydrophobicContact CB-CB 4.38Å; D867-M966 WeakPolarHBondContact OD1-CB 3.46Å; D867-M966 VanDerWaalsContact OD1-CG 3.28Å; D867-M966 WeakPolarHBondContact OD1-CG 3.38Å; D867-M966 WeakPolarHBondContact OD2-CE 3.23Å
868	I	96.1	Very high	95.9	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.079	C	C	.	.	S	Bend	trans	-128.4	98.6	174.6	-59.2	179.8	0	0	0	107.5	L859 F864 T872 A873 L876 L904 M944 V970	L859-I868 HydrophobicContact CD1-CB 4.01Å; L859-I868 HydrophobicContact CD1-CG2 3.66Å; L859-I868 HydrophobicContact CD2-CB 4.15Å; L859-I868 HydrophobicContact CD2-CD1 4.03Å; L859-I868 HydrophobicContact CD2-CG2 4.49Å; F864-I868 PolarHBondContact O-N 3Å; I868-T872 HydrophobicContact CG2-CG2 3.94Å; I868-A873 HydrophobicContact CG2-CB 4.36Å; I868-L876 HydrophobicContact CD1-CD1 4.49Å; I868-L876 HydrophobicContact CG2-CD1 3.8Å; I868-L904 HydrophobicContact CD1-CD2 3.95Å; I868-M944 HydrophobicContact CD1-CE 3.93Å; I868-M944 HydrophobicContact CG1-CE 4.49Å; I868-V970 HydrophobicContact CD1-CG1 3.9Å; I868-V970 HydrophobicContact CD1-CG2 4.28Å
869	T	94.3	Very high	95.8	Very high	54 Å²	54	15 Å²	15	33%	0.331	8%	0.081	S	C	.	.			trans	-65.6	163.2	-176.2	79.2	0	0	0	0	112.2	D871 T872 A873	T869-D871 VanDerWaalsContact C-N 3.28Å; T869-D871 PolarHBondContact O-N 3.12Å; T869-T872 WeakPolarHBondContact O-CB 3.47Å; T869-T872 PolarHBondContact O-N 2.87Å; T869-T872 VanDerWaalsContact O-N 3.08Å; T869-T872 PolarHBondContact OG1-N 3.22Å; T869-T872 PolarHBondContact OG1-OG1 2.96Å; T869-A873 PolarHBondContact O-N 2.9Å
870	E	94.8	Very high	95.8	Very high	53 Å²	53	15.8 Å²	15.8	25%	0.248	9%	0.085	C	C	.	.	H	α-helix	trans	-57	-38.5	177.1	-70.3	-154.5	119.3	0	0	113.7	Q694 K856 D874 Y1076	Q694-E870 PolarHBondContact NE2-OE1 3.46Å; K856-E870 HydrophobicContact CD-CB 4.22Å; K856-E870 HydrophobicContact CD-CG 4.07Å; K856-E870 WeakPolarHBondContact CE-O 3.46Å; K856-E870 PolarHBondContact NZ-O 2.83Å; K856-E870 IonicContact NZ-OE1 3.72Å; E870-D874 VanDerWaalsContact O-CG 3.23Å; E870-D874 PolarHBondContact O-N 3.23Å; E870-D874 VanDerWaalsContact O-N 3.08Å; E870-Y1076 PolarHBondContact OE1-OH 2.89Å
871	D	95.5	Very high	95.8	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-71.1	-34	177.8	-59.1	-63.4	0	0	0	111.4	R691 K831 L834 T869 L875 W957	R691-D871 IonicContact CZ-OD1 3.64Å; R691-D871 IonicContact NH1-OD1 3.67Å; R691-D871 IonicContact NH2-OD1 3.13Å; R691-D871 PolarHBondContact NH2-OD1 3.11Å; K831-D871 WeakPolarHBondContact CE-OD2 3.4Å; K831-D871 IonicContact NZ-OD2 3.98Å; K831-D871 PolarHBondContact NZ-OD2 3.04Å; L834-D871 HydrophobicContact CD2-CB 3.79Å; T869-D871 VanDerWaalsContact C-N 3.28Å; T869-D871 PolarHBondContact O-N 3.12Å; D871-L875 PolarHBondContact O-N 3.38Å; D871-W957 HydrophobicContact CB-CE3 3.57Å; D871-W957 HydrophobicContact CB-CH2 4.48Å; D871-W957 HydrophobicContact CB-CZ3 3.49Å; D871-W957 VanDerWaalsContact CB-CZ3 3.49Å
872	T	96.9	Very high	95.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-46.6	172.8	-43.7	0	0	0	0	111	I868 T869 D874 L875 L876 M944 I946 W957 T958	I868-T872 HydrophobicContact CG2-CG2 3.94Å; T869-T872 WeakPolarHBondContact O-CB 3.47Å; T869-T872 PolarHBondContact O-N 2.87Å; T869-T872 VanDerWaalsContact O-N 3.08Å; T869-T872 PolarHBondContact OG1-N 3.22Å; T869-T872 PolarHBondContact OG1-OG1 2.96Å; T872-D874 VanDerWaalsContact C-N 3.3Å; T872-D874 PolarHBondContact O-N 3.19Å; T872-L875 PolarHBondContact O-N 3.31Å; T872-L875 VanDerWaalsContact O-N 3.14Å; T872-L876 HydrophobicContact CG2-CD1 4.39Å; T872-L876 WeakPolarHBondContact O-CG 3.42Å; T872-L876 PolarHBondContact O-N 3.21Å; T872-M944 HydrophobicContact CG2-SD 4.14Å; T872-I946 HydrophobicContact CG2-CD1 3.82Å; T872-W957 PolarHBondContact OG1-O 3.17Å; T872-T958 HydrophobicContact CG2-CG2 3.48Å; T872-T958 VanDerWaalsContact CG2-CG2 3.48Å
873	A	98.1	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-38.5	178.7	0	0	0	0	0	112.1	K856 L859 I868 T869 L875 L876 V877	K856-A873 HydrophobicContact CG-CB 3.76Å; L859-A873 HydrophobicContact CD1-CB 3.73Å; I868-A873 HydrophobicContact CG2-CB 4.36Å; T869-A873 PolarHBondContact O-N 2.9Å; A873-L875 VanDerWaalsContact C-N 3.34Å; A873-L875 PolarHBondContact O-N 3.44Å; A873-L876 PolarHBondContact O-N 2.7Å; A873-V877 WeakPolarHBondContact O-CG2 3.38Å; A873-V877 PolarHBondContact O-N 2.64Å
874	D	98.2	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-38.8	174.2	-74.7	-21.8	0	0	0	112.5	R691 T693 L838 C852 K856 E870 T872 A878	R691-D874 IonicContact CZ-OD2 2.7Å; R691-D874 VanDerWaalsContact CZ-OD2 3.23Å; R691-D874 IonicContact NE-OD2 3.34Å; R691-D874 PolarHBondContact NE-OD2 3.13Å; R691-D874 IonicContact NH2-OD2 3.5Å; R691-D874 PolarHBondContact NH2-OD2 3.23Å; T693-D874 WeakPolarHBondContact CB-OD1 3.47Å; T693-D874 WeakPolarHBondContact CG2-OD1 3.15Å; T693-D874 VanDerWaalsContact OG1-CG 3.23Å; T693-D874 PolarHBondContact OG1-OD1 2.99Å; T693-D874 VanDerWaalsContact OG1-OD1 3.06Å; T693-D874 PolarHBondContact OG1-OD2 3.03Å; L838-D874 HydrophobicContact CD1-CB 3.65Å; C852-D874 WeakPolarHBondContact CB-OD1 3.38Å; K856-D874 WeakPolarHBondContact CE-OD1 3.31Å; K856-D874 IonicContact NZ-OD1 3.86Å; K856-D874 PolarHBondContact NZ-OD1 2.84Å; K856-D874 IonicContact NZ-OD2 2.78Å; K856-D874 PolarHBondContact NZ-OD2 2.91Å; E870-D874 VanDerWaalsContact O-CG 3.23Å; E870-D874 PolarHBondContact O-N 3.23Å; E870-D874 VanDerWaalsContact O-N 3.08Å; T872-D874 VanDerWaalsContact C-N 3.3Å; T872-D874 PolarHBondContact O-N 3.19Å; D874-A878 VanDerWaalsContact O-CB 3.3Å; D874-A878 WeakPolarHBondContact O-CB 3.32Å; D874-A878 PolarHBondContact O-N 3.49Å
875	L	98.1	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.6	-39.7	176	-72.7	168.7	0	0	0	112.7	L834 D871 T872 A873 V877 A878 S879 V916 L918 I946 T948 W957	L834-L875 HydrophobicContact CD1-CD2 3.76Å; L834-L875 HydrophobicContact CD1-CG 4.15Å; D871-L875 PolarHBondContact O-N 3.38Å; T872-L875 PolarHBondContact O-N 3.31Å; T872-L875 VanDerWaalsContact O-N 3.14Å; A873-L875 VanDerWaalsContact C-N 3.34Å; A873-L875 PolarHBondContact O-N 3.44Å; L875-V877 VanDerWaalsContact C-N 3.3Å; L875-V877 PolarHBondContact O-N 3.43Å; L875-A878 PolarHBondContact O-N 2.87Å; L875-S879 PolarHBondContact O-N 2.89Å; L875-S879 VanDerWaalsContact O-N 3.12Å; L875-V916 HydrophobicContact CD2-CB 4.49Å; L875-V916 HydrophobicContact CD2-CG1 4.11Å; L875-L918 HydrophobicContact CD2-CD1 4.13Å; L875-L918 HydrophobicContact CD2-CD2 4.45Å; L875-I946 HydrophobicContact CB-CD1 4.49Å; L875-I946 HydrophobicContact CB-CG2 4.43Å; L875-T948 HydrophobicContact CD2-CG2 4.31Å; L875-W957 HydrophobicContact CD1-CB 4.06Å; L875-W957 HydrophobicContact CD1-CD2 3.98Å; L875-W957 HydrophobicContact CD1-CG 3.54Å
876	L	98.3	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-36.6	173.9	-70.6	173.3	0	0	0	112	I868 T872 A873 S879 F900 L903 L904 W909 L914 M944 I946	I868-L876 HydrophobicContact CD1-CD1 4.49Å; I868-L876 HydrophobicContact CG2-CD1 3.8Å; T872-L876 HydrophobicContact CG2-CD1 4.39Å; T872-L876 WeakPolarHBondContact O-CG 3.42Å; T872-L876 PolarHBondContact O-N 3.21Å; A873-L876 PolarHBondContact O-N 2.7Å; L876-S879 PolarHBondContact O-OG 3.02Å; L876-S879 VanDerWaalsContact O-OG 3.04Å; L876-F900 HydrophobicContact CB-CD2 4.37Å; L876-F900 HydrophobicContact CB-CE2 3.96Å; L876-F900 HydrophobicContact CD1-CE2 4.18Å; L876-L903 HydrophobicContact CB-CD2 4.39Å; L876-L903 HydrophobicContact CD2-CD2 4.25Å; L876-L903 VanDerWaalsContact O-CD2 3.29Å; L876-L903 WeakPolarHBondContact O-CD2 3.41Å; L876-L904 HydrophobicContact CD1-CD2 4.1Å; L876-W909 HydrophobicContact CD2-CH2 3.64Å; L876-W909 HydrophobicContact CD2-CZ3 4.36Å; L876-L914 HydrophobicContact CD2-CD2 3.66Å; L876-M944 HydrophobicContact CD1-CE 4.21Å; L876-M944 HydrophobicContact CD1-SD 4.3Å; L876-M944 HydrophobicContact CD2-CE 4.4Å; L876-M944 HydrophobicContact CD2-SD 4.33Å; L876-I946 HydrophobicContact CD2-CD1 3.9Å; L876-I946 HydrophobicContact CG-CD1 4.12Å
877	V	98.6	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-76.7	-36.9	173.9	172.3	0	0	0	0	111.3	F848 V851 C852 A855 A873 L875 S879 L880 F881 F900	F848-V877 HydrophobicContact CD2-CG1 4Å; F848-V877 HydrophobicContact CE2-CB 4.48Å; F848-V877 HydrophobicContact CE2-CG1 4.02Å; V851-V877 HydrophobicContact CB-CG1 3.83Å; V851-V877 HydrophobicContact CG1-CB 4.49Å; V851-V877 HydrophobicContact CG1-CG1 3.49Å; V851-V877 VanDerWaalsContact CG1-CG1 3.49Å; V851-V877 HydrophobicContact CG1-CG2 4.14Å; C852-V877 WeakPolarHBondContact SG-CG1 3.41Å; A855-V877 HydrophobicContact CB-CG2 3.69Å; A873-V877 WeakPolarHBondContact O-CG2 3.38Å; A873-V877 PolarHBondContact O-N 2.64Å; L875-V877 VanDerWaalsContact C-N 3.3Å; L875-V877 PolarHBondContact O-N 3.43Å; V877-S879 VanDerWaalsContact C-N 3.26Å; V877-S879 PolarHBondContact O-N 3.45Å; V877-L880 VanDerWaalsContact O-CB 3.3Å; V877-L880 WeakPolarHBondContact O-CB 3.17Å; V877-L880 PolarHBondContact O-N 2.59Å; V877-F881 HydrophobicContact CG1-CD2 4.39Å; V877-F881 HydrophobicContact CG1-CE2 3.95Å; V877-F881 WeakPolarHBondContact O-CD2 3.03Å; V877-F900 HydrophobicContact CG2-CD2 3.75Å; V877-F900 HydrophobicContact CG2-CE2 4.28Å; V877-F900 HydrophobicContact CG2-CG 4.36Å
878	A	98.3	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-33.6	177.7	0	0	0	0	0	112.9	L838 L841 F848 D874 L875 L880 F881 L882 V916	L838-A878 HydrophobicContact CD2-CB 4.01Å; L841-A878 HydrophobicContact CD2-CB 3.79Å; F848-A878 HydrophobicContact CE2-CB 3.94Å; F848-A878 HydrophobicContact CZ-CB 4.44Å; D874-A878 VanDerWaalsContact O-CB 3.3Å; D874-A878 WeakPolarHBondContact O-CB 3.32Å; D874-A878 PolarHBondContact O-N 3.49Å; L875-A878 PolarHBondContact O-N 2.87Å; A878-L880 VanDerWaalsContact C-N 3.25Å; A878-L880 PolarHBondContact O-N 3.19Å; A878-F881 PolarHBondContact O-N 3.1Å; A878-L882 HydrophobicContact CB-CD1 4.32Å; A878-L882 WeakPolarHBondContact O-CB 3.44Å; A878-L882 WeakPolarHBondContact O-CG 3.17Å; A878-L882 PolarHBondContact O-N 3.01Å; A878-V916 HydrophobicContact CB-CG1 4.07Å
879	S	96.9	Very high	95.4	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-33.5	174.6	75.5	0	0	0	0	112.4	L875 L876 V877 F881 L882 Q883	L875-S879 PolarHBondContact O-N 2.89Å; L875-S879 VanDerWaalsContact O-N 3.12Å; L876-S879 PolarHBondContact O-OG 3.02Å; L876-S879 VanDerWaalsContact O-OG 3.04Å; V877-S879 VanDerWaalsContact C-N 3.26Å; V877-S879 PolarHBondContact O-N 3.45Å; S879-F881 PolarHBondContact O-N 2.69Å; S879-L882 PolarHBondContact O-N 2.77Å; S879-Q883 CarbonylContact O-C 3.49Å; S879-Q883 WeakPolarHBondContact O-CA 3.33Å; S879-Q883 PolarHBondContact O-N 3.35Å
880	L	97	Very high	95.5	Very high	17 Å²	17	17.1 Å²	17.1	9%	0.089	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-22.5	179	-52.3	176.2	0	0	0	113.6	V877 A878 P884 P890 G896 R899 F900 L903	V877-L880 VanDerWaalsContact O-CB 3.3Å; V877-L880 WeakPolarHBondContact O-CB 3.17Å; V877-L880 PolarHBondContact O-N 2.59Å; A878-L880 VanDerWaalsContact C-N 3.25Å; A878-L880 PolarHBondContact O-N 3.19Å; L880-P884 WeakPolarHBondContact O-CA 3.39Å; L880-P884 WeakPolarHBondContact O-CB 3.31Å; L880-P890 HydrophobicContact CB-CG 4.46Å; L880-P890 WeakPolarHBondContact O-CD 3.41Å; L880-G896 WeakPolarHBondContact CD1-O 3.2Å; L880-R899 HydrophobicContact CD1-CB 4.3Å; L880-R899 HydrophobicContact CD2-CB 4.23Å; L880-F900 HydrophobicContact CD1-CB 3.87Å; L880-L903 HydrophobicContact CD2-CB 4.18Å; L880-L903 HydrophobicContact CD2-CD2 4.04Å
881	F	96.5	Very high	95.4	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.053	10%	0.095	C	C	.	.	H	α-helix	trans	-97.9	-33	176.9	-69.5	-94.3	0	0	0	112.3	L841 Q845 F848 V851 V877 A878 S879 P889 P890	L841-F881 HydrophobicContact CD1-CB 4.41Å; Q845-F881 HydrophobicContact CB-CD1 3.68Å; Q845-F881 HydrophobicContact CB-CE1 3.95Å; Q845-F881 HydrophobicContact CB-CG 4.48Å; Q845-F881 HydrophobicContact CG-CB 4.42Å; Q845-F881 HydrophobicContact CG-CD1 3.72Å; Q845-F881 HydrophobicContact CG-CE1 4.45Å; Q845-F881 HydrophobicContact CG-CG 4.4Å; F848-F881 HydrophobicContact CB-CD2 4.49Å; F848-F881 HydrophobicContact CB-CE1 4.38Å; F848-F881 HydrophobicContact CB-CE2 4.1Å; F848-F881 HydrophobicContact CB-CZ 4.04Å; F848-F881 AromaticContact CD2-CD2 3.82Å; F848-F881 HydrophobicContact CD2-CD2 3.82Å; F848-F881 AromaticContact CD2-CE2 3.88Å; F848-F881 HydrophobicContact CD2-CE2 3.88Å; F848-F881 HydrophobicContact CG-CE2 4.5Å; V851-F881 HydrophobicContact CB-CE2 4.39Å; V851-F881 HydrophobicContact CG2-CE2 4.32Å; V851-F881 HydrophobicContact CG2-CZ 4.04Å; V877-F881 HydrophobicContact CG1-CD2 4.39Å; V877-F881 HydrophobicContact CG1-CE2 3.95Å; V877-F881 WeakPolarHBondContact O-CD2 3.03Å; A878-F881 PolarHBondContact O-N 3.1Å; S879-F881 PolarHBondContact O-N 2.69Å; F881-P889 HydrophobicContact CD1-CB 4.31Å; F881-P890 HydrophobicContact CD1-CG 4.45Å; F881-P890 HydrophobicContact CE1-CB 3.97Å; F881-P890 HydrophobicContact CE1-CG 4.06Å; F881-P890 WeakPolarHBondContact CE1-O 3.38Å; F881-P890 HydrophobicContact CE2-CG 4.13Å; F881-P890 HydrophobicContact CZ-CB 3.86Å; F881-P890 HydrophobicContact CZ-CG 3.89Å
882	L	94.7	Very high	95.3	Very high	50 Å²	50	15.2 Å²	15.2	26%	0.262	9%	0.093	S	C	.	.	H	α-helix	trans	-86.7	-27.6	-177.4	-64.8	169.5	0	0	0	113.3	L841 A878 S879 V916 L918	L841-L882 HydrophobicContact CD1-CD2 4.25Å; A878-L882 HydrophobicContact CB-CD1 4.32Å; A878-L882 WeakPolarHBondContact O-CB 3.44Å; A878-L882 WeakPolarHBondContact O-CG 3.17Å; A878-L882 PolarHBondContact O-N 3.01Å; S879-L882 PolarHBondContact O-N 2.77Å; L882-V916 HydrophobicContact CD1-CG1 3.94Å; L882-L918 HydrophobicContact CD1-CD2 3.94Å
883	Q	91.3	Very high	95.1	Very high	49 Å²	49	15.2 Å²	15.2	23%	0.229	9%	0.093	C	C	.	.	S	Bend	trans	-136.7	71.7	176.5	-73.9	165	-5	0	0	108.7	S879 A885 V915 Y927	S879-Q883 CarbonylContact O-C 3.49Å; S879-Q883 WeakPolarHBondContact O-CA 3.33Å; S879-Q883 PolarHBondContact O-N 3.35Å; Q883-A885 PolarHBondContact O-N 3.17Å; Q883-V915 PolarHBondContact NE2-O 3.35Å; Q883-V915 PolarHBondContact OE1-O 2.89Å; Q883-V915 VanDerWaalsContact OE1-O 3.08Å; Q883-Y927 VanDerWaalsContact NE2-CE1 3.28Å; Q883-Y927 PolarHBondContact NE2-OH 2.78Å
884	P	92.8	Very high	94.9	Very high	29 Å²	29	15.3 Å²	15.3	19%	0.188	9%	0.094	C	C	.	.			trans	-75.2	-9.7	-171.7	33.3	-39.4	0	0	0	114	L880 F887 T888 P889	L880-P884 WeakPolarHBondContact O-CA 3.39Å; L880-P884 WeakPolarHBondContact O-CB 3.31Å; P884-F887 CarbonylContact C-O 3.4Å; P884-F887 VanDerWaalsContact C-O 3.27Å; P884-F887 VanDerWaalsContact CB-O 3.3Å; P884-F887 WeakPolarHBondContact CB-O 3.42Å; P884-F887 WeakPolarHBondContact CG-O 3.35Å; P884-F887 CarbonylContact O-C 3.58Å; P884-F887 WeakPolarHBondContact O-CA 3.21Å; P884-F887 WeakPolarHBondContact O-CB 3.41Å; P884-F887 PolarHBondContact O-N 3.07Å; P884-F887 VanDerWaalsContact O-O 3.12Å; P884-T888 WeakPolarHBondContact CB-O 3.37Å; P884-P889 HydrophobicContact CB-CG 4.3Å; P884-P889 HydrophobicContact CG-CG 4.07Å
885	A	91.6	Very high	94.8	Very high	26 Å²	26	15.3 Å²	15.3	22%	0.215	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.2	-171.2	0	0	0	0	0	113.1	F444 V450 Q883 F887	F444-A885 HydrophobicContact CD1-CB 3.78Å; F444-A885 HydrophobicContact CD2-CB 4.19Å; F444-A885 HydrophobicContact CE1-CB 3.72Å; F444-A885 HydrophobicContact CE2-CB 4.13Å; F444-A885 HydrophobicContact CG-CB 4.03Å; F444-A885 HydrophobicContact CZ-CB 3.91Å; V450-A885 HydrophobicContact CG1-CB 3.79Å; V450-A885 HydrophobicContact CG2-CB 4.29Å; Q883-A885 PolarHBondContact O-N 3.17Å; A885-F887 VanDerWaalsContact C-N 3.34Å
886	P	92	Very high	94.7	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.039	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	20.8	5.3	38.5	-39.3	0	0	0	114.4	F444 C455 T459 K461	F444-P886 HydrophobicContact CD2-CB 4.48Å; F444-P886 VanDerWaalsContact CE2-C 3.44Å; F444-P886 VanDerWaalsContact CE2-CA 3.46Å; F444-P886 HydrophobicContact CE2-CB 4.32Å; F444-P886 WeakPolarHBondContact CE2-O 3.34Å; C455-P886 HydrophobicContact CB-CB 4.01Å; C455-P886 WeakPolarHBondContact O-CB 3.25Å; C455-P886 WeakPolarHBondContact O-CG 3.5Å; T459-P886 HydrophobicContact CG2-CG 3.64Å; K461-P886 HydrophobicContact CD-CB 4.05Å; K461-P886 HydrophobicContact CD-CG 4Å; K461-P886 VanDerWaalsContact CE-O 3.25Å; K461-P886 WeakPolarHBondContact CE-O 3.47Å; K461-P886 HydrophobicContact CG-CG 4.05Å; K461-P886 PolarHBondContact NZ-O 2.79Å
887	F	93	Very high	94.6	Very high	11 Å²	11	15.3 Å²	15.3	5%	0.048	9%	0.094	C	C	.	.	S	Bend	trans	-103.4	174.2	176.6	-52.2	-82.9	0	0	0	111.8	F444 K461 R465 P884 A885 R899	F444-F887 WeakPolarHBondContact CZ-O 3.4Å; K461-F887 HydrophobicContact CB-CE1 4.09Å; K461-F887 HydrophobicContact CD-CE1 4.45Å; K461-F887 HydrophobicContact CG-CD1 4.44Å; K461-F887 HydrophobicContact CG-CE1 3.84Å; K461-F887 HydrophobicContact CG-CZ 4.13Å; R465-F887 HydrophobicContact CB-CE1 3.82Å; R465-F887 HydrophobicContact CB-CZ 3.89Å; P884-F887 CarbonylContact C-O 3.4Å; P884-F887 VanDerWaalsContact C-O 3.27Å; P884-F887 VanDerWaalsContact CB-O 3.3Å; P884-F887 WeakPolarHBondContact CB-O 3.42Å; P884-F887 WeakPolarHBondContact CG-O 3.35Å; P884-F887 CarbonylContact O-C 3.58Å; P884-F887 WeakPolarHBondContact O-CA 3.21Å; P884-F887 WeakPolarHBondContact O-CB 3.41Å; P884-F887 PolarHBondContact O-N 3.07Å; P884-F887 VanDerWaalsContact O-O 3.12Å; A885-F887 VanDerWaalsContact C-N 3.34Å; F887-R899 HydrophobicContact CD2-CG 4.4Å; F887-R899 HydrophobicContact CE2-CG 4.41Å
888	T	92.6	Very high	94.6	Very high	36 Å²	36	15.3 Å²	15.3	22%	0.221	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-77.1	164.3	160.5	50.6	0	0	0	0	110.8	L552 P884 R899	L552-T888 HydrophobicContact CD1-CG2 4.23Å; L552-T888 WeakPolarHBondContact CD1-OG1 3.26Å; L552-T888 HydrophobicContact CD2-CG2 4.38Å; P884-T888 WeakPolarHBondContact CB-O 3.37Å; T888-R899 PolarHBondContact O-NH1 3.2Å
889	P	94.8	Very high	94.5	Very high	52 Å²	52	15.8 Å²	15.8	34%	0.338	10%	0.096	S	C	.	.	P	Polyproline II helix	trans	-53.6	141.3	168.6	-24.2	34.9	0	0	0	111.3	F881 P884 G891	F881-P889 HydrophobicContact CD1-CB 4.31Å; P884-P889 HydrophobicContact CB-CG 4.3Å; P884-P889 HydrophobicContact CG-CG 4.07Å; P889-G891 PolarHBondContact O-N 3.04Å
890	P	95.3	Very high	94.6	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.013	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-60.3	128.3	-179.7	-22.6	30.1	0	0	0	113.4	C847 L880 F881	C847-P890 PolarHBondContact SG-O 2.75Å; L880-P890 HydrophobicContact CB-CG 4.46Å; L880-P890 WeakPolarHBondContact O-CD 3.41Å; F881-P890 HydrophobicContact CD1-CG 4.45Å; F881-P890 HydrophobicContact CE1-CB 3.97Å; F881-P890 HydrophobicContact CE1-CG 4.06Å; F881-P890 WeakPolarHBondContact CE1-O 3.38Å; F881-P890 HydrophobicContact CE2-CG 4.13Å; F881-P890 HydrophobicContact CZ-CB 3.86Å; F881-P890 HydrophobicContact CZ-CG 3.89Å
891	G	92.6	Very high	94.6	Very high	20 Å²	20	14.7 Å²	14.7	21%	0.206	9%	0.09	C	C	.	.	S	Bend	trans	-92.2	-5.9	170.2	0	0	0	0	0	114.4	D468 P889	D468-G891 VanDerWaalsContact CG-CA 3.49Å; D468-G891 WeakPolarHBondContact OD1-CA 3.42Å; D468-G891 PolarHBondContact OD1-N 3.36Å; P889-G891 PolarHBondContact O-N 3.04Å
892	S	93.1	Very high	94.6	Very high	3 Å²	3	16 Å²	16	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	-140.5	156.1	178.7	80.4	0	0	0	0	114.1	D468 Q894 A895 G896	D468-S892 WeakPolarHBondContact O-CB 3.44Å; D468-S892 PolarHBondContact O-OG 2.92Å; S892-Q894 VanDerWaalsContact C-N 3.34Å; S892-Q894 PolarHBondContact O-N 3.21Å; S892-A895 PolarHBondContact O-N 2.96Å; S892-A895 WeakPolarHBondContact OG-CB 3.46Å; S892-A895 PolarHBondContact OG-N 2.86Å; S892-A895 VanDerWaalsContact OG-N 3.13Å; S892-G896 PolarHBondContact O-N 2.88Å; S892-G896 VanDerWaalsContact O-N 3.15Å
893	P	94.4	Very high	94.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-44	174.3	-23.1	33.7	0	0	0	112.7	A850 L854 G896 F897	A850-P893 HydrophobicContact CB-CB 4.11Å; A850-P893 HydrophobicContact CB-CG 3.83Å; L854-P893 HydrophobicContact CD1-CB 3.63Å; P893-G896 PolarHBondContact O-N 3.22Å; P893-F897 WeakPolarHBondContact O-CB 3.46Å; P893-F897 PolarHBondContact O-N 3Å
894	Q	93.8	Very high	95.1	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-48	-178.9	-174.5	-172.7	-81.6	0	0	112.4	V634 V638 S892 G896 F897 L898 L985	V634-Q894 PolarHBondContact O-OE1 2.97Å; V638-Q894 HydrophobicContact CG2-CG 4.32Å; S892-Q894 VanDerWaalsContact C-N 3.34Å; S892-Q894 PolarHBondContact O-N 3.21Å; Q894-G896 VanDerWaalsContact C-N 3.33Å; Q894-G896 PolarHBondContact O-N 3.19Å; Q894-F897 PolarHBondContact O-N 3.32Å; Q894-L898 HydrophobicContact CG-CD1 4.09Å; Q894-L898 WeakPolarHBondContact O-CG 3.42Å; Q894-L898 PolarHBondContact O-N 2.73Å; Q894-L985 HydrophobicContact CG-CD1 4.15Å
895	A	94.6	Very high	95.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-40	-179.3	0	0	0	0	0	111.2	S892 R899	S892-A895 PolarHBondContact O-N 2.96Å; S892-A895 WeakPolarHBondContact OG-CB 3.46Å; S892-A895 PolarHBondContact OG-N 2.86Å; S892-A895 VanDerWaalsContact OG-N 3.13Å; A895-R899 WeakPolarHBondContact O-CB 3.39Å; A895-R899 WeakPolarHBondContact O-CD 3.37Å; A895-R899 WeakPolarHBondContact O-CG 3.5Å; A895-R899 PolarHBondContact O-N 2.82Å; A895-R899 VanDerWaalsContact O-N 3.14Å
896	G	96.1	Very high	95.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-43.1	172.4	0	0	0	0	0	113	V851 L880 S892 P893 Q894 R899 F900	V851-G896 VanDerWaalsContact CG1-C 3.49Å; L880-G896 WeakPolarHBondContact CD1-O 3.2Å; S892-G896 PolarHBondContact O-N 2.88Å; S892-G896 VanDerWaalsContact O-N 3.15Å; P893-G896 PolarHBondContact O-N 3.22Å; Q894-G896 VanDerWaalsContact C-N 3.33Å; Q894-G896 PolarHBondContact O-N 3.19Å; G896-R899 PolarHBondContact O-N 3.18Å; G896-F900 PolarHBondContact O-N 3.06Å
897	F	97.5	Very high	95.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-41.5	-179.9	-179.9	-113.1	0	0	0	113.1	V638 L854 W858 P893 Q894 R899 F900 L901 L981 I997 M998	V638-F897 HydrophobicContact CG1-CD1 4.16Å; V638-F897 HydrophobicContact CG1-CE1 4.18Å; L854-F897 HydrophobicContact CB-CB 4.11Å; L854-F897 HydrophobicContact CB-CD2 3.69Å; L854-F897 HydrophobicContact CB-CE2 4.35Å; L854-F897 HydrophobicContact CB-CG 3.96Å; L854-F897 HydrophobicContact CD1-CB 3.88Å; L854-F897 HydrophobicContact CD1-CG 4.31Å; W858-F897 HydrophobicContact CB-CE2 3.64Å; W858-F897 HydrophobicContact CB-CZ 3.74Å; W858-F897 AromaticContact CD1-CZ 3.86Å; W858-F897 HydrophobicContact CG-CE2 4.02Å; W858-F897 AromaticContact CG-CZ 3.8Å; W858-F897 HydrophobicContact CG-CZ 3.8Å; P893-F897 WeakPolarHBondContact O-CB 3.46Å; P893-F897 PolarHBondContact O-N 3Å; Q894-F897 PolarHBondContact O-N 3.32Å; F897-R899 VanDerWaalsContact C-N 3.31Å; F897-R899 PolarHBondContact O-N 2.64Å; F897-F900 HydrophobicContact CD2-CD1 4.36Å; F897-F900 HydrophobicContact CE2-CD1 4.38Å; F897-F900 WeakPolarHBondContact O-CB 3.39Å; F897-F900 PolarHBondContact O-N 2.69Å; F897-L901 HydrophobicContact CD1-CD1 4.37Å; F897-L901 HydrophobicContact CE1-CD1 3.78Å; F897-L901 HydrophobicContact CE1-CG 4.34Å; F897-L901 HydrophobicContact CE2-CD2 4.29Å; F897-L901 HydrophobicContact CE2-CG 4.3Å; F897-L901 HydrophobicContact CZ-CD1 3.89Å; F897-L901 HydrophobicContact CZ-CD2 4.13Å; F897-L901 HydrophobicContact CZ-CG 4.08Å; F897-L901 PolarHBondContact O-N 2.96Å; F897-L981 HydrophobicContact CD1-CD2 4.11Å; F897-L981 HydrophobicContact CE1-CD2 4Å; F897-I997 HydrophobicContact CE1-CD1 3.82Å; F897-I997 HydrophobicContact CZ-CD1 4.33Å; F897-M998 HydrophobicContact CE1-CE 4.04Å; F897-M998 HydrophobicContact CZ-CE 3.73Å
898	L	96.9	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-41.4	172.2	-73.4	165.8	0	0	0	111.7	I464 R465 Q894 R902 L978 L981 E982 L985	I464-L898 HydrophobicContact CG1-CD1 3.88Å; I464-L898 WeakPolarHBondContact O-CD1 3.36Å; R465-L898 HydrophobicContact CG-CB 4.33Å; Q894-L898 HydrophobicContact CG-CD1 4.09Å; Q894-L898 WeakPolarHBondContact O-CG 3.42Å; Q894-L898 PolarHBondContact O-N 2.73Å; L898-R902 PolarHBondContact O-N 2.94Å; L898-R902 VanDerWaalsContact O-N 3.08Å; L898-L978 HydrophobicContact CB-CD1 4.28Å; L898-L978 HydrophobicContact CD2-CD1 3.65Å; L898-L978 WeakPolarHBondContact O-CD1 3.46Å; L898-L981 HydrophobicContact CD2-CD2 3.68Å; L898-L981 HydrophobicContact CD2-CG 4.12Å; L898-L981 HydrophobicContact CG-CD2 4.38Å; L898-E982 HydrophobicContact CD2-CG 3.74Å; L898-L985 HydrophobicContact CD1-CD1 4.13Å; L898-L985 HydrophobicContact CD2-CD1 4.43Å
899	R	97.3	Very high	95.5	Very high	10 Å²	10	17.2 Å²	17.2	4%	0.038	10%	0.104	C	C	.	.	H	α-helix	trans	-70	-31.6	176.3	-66.6	169.2	-167.5	177.3	5.8	112.5	R465 T466 L880 F887 T888 A895 G896 F897 R902 L903	R465-R899 VanDerWaalsContact O-CZ 3.25Å; R465-R899 PolarHBondContact O-NE 2.68Å; R465-R899 PolarHBondContact O-NH2 2.93Å; T466-R899 PolarHBondContact O-NH2 3.13Å; L880-R899 HydrophobicContact CD1-CB 4.3Å; L880-R899 HydrophobicContact CD2-CB 4.23Å; F887-R899 HydrophobicContact CD2-CG 4.4Å; F887-R899 HydrophobicContact CE2-CG 4.41Å; T888-R899 PolarHBondContact O-NH1 3.2Å; A895-R899 WeakPolarHBondContact O-CB 3.39Å; A895-R899 WeakPolarHBondContact O-CD 3.37Å; A895-R899 WeakPolarHBondContact O-CG 3.5Å; A895-R899 PolarHBondContact O-N 2.82Å; A895-R899 VanDerWaalsContact O-N 3.14Å; G896-R899 PolarHBondContact O-N 3.18Å; F897-R899 VanDerWaalsContact C-N 3.31Å; F897-R899 PolarHBondContact O-N 2.64Å; R899-R902 PolarHBondContact O-N 2.94Å; R899-L903 WeakPolarHBondContact O-CB 3.42Å; R899-L903 PolarHBondContact O-N 3Å
900	F	98.4	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-48.4	171.8	171.3	-100.1	0	0	0	112.3	A855 W858 L859 L876 V877 L880 G896 F897 R902 L903 L904	A855-F900 HydrophobicContact CB-CD1 3.64Å; A855-F900 HydrophobicContact CB-CD2 3.92Å; A855-F900 HydrophobicContact CB-CE1 3.59Å; A855-F900 HydrophobicContact CB-CE2 3.87Å; A855-F900 HydrophobicContact CB-CG 3.8Å; A855-F900 HydrophobicContact CB-CZ 3.71Å; W858-F900 HydrophobicContact CE3-CE1 4.03Å; W858-F900 HydrophobicContact CZ3-CE1 4.35Å; L859-F900 HydrophobicContact CD1-CZ 4.05Å; L859-F900 HydrophobicContact CG-CZ 4.22Å; L876-F900 HydrophobicContact CB-CD2 4.37Å; L876-F900 HydrophobicContact CB-CE2 3.96Å; L876-F900 HydrophobicContact CD1-CE2 4.18Å; V877-F900 HydrophobicContact CG2-CD2 3.75Å; V877-F900 HydrophobicContact CG2-CE2 4.28Å; V877-F900 HydrophobicContact CG2-CG 4.36Å; L880-F900 HydrophobicContact CD1-CB 3.87Å; G896-F900 PolarHBondContact O-N 3.06Å; F897-F900 HydrophobicContact CD2-CD1 4.36Å; F897-F900 HydrophobicContact CE2-CD1 4.38Å; F897-F900 WeakPolarHBondContact O-CB 3.39Å; F897-F900 PolarHBondContact O-N 2.69Å; F900-R902 PolarHBondContact O-N 3.36Å; F900-L903 PolarHBondContact O-N 2.93Å; F900-L903 VanDerWaalsContact O-N 3.15Å; F900-L904 HydrophobicContact CD1-CD1 4.29Å; F900-L904 HydrophobicContact CE1-CD1 3.57Å; F900-L904 HydrophobicContact CE1-CG 4.41Å; F900-L904 HydrophobicContact CE2-CD1 4.22Å; F900-L904 HydrophobicContact CE2-CG 4.33Å; F900-L904 HydrophobicContact CZ-CD1 3.53Å; F900-L904 HydrophobicContact CZ-CG 4.12Å; F900-L904 PolarHBondContact O-N 2.9Å
901	L	98.1	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-36.4	174.9	-65.5	177.9	0	0	0	111.4	W858 F897 S905 A974 L978	W858-L901 HydrophobicContact CD2-CD2 3.68Å; W858-L901 VanDerWaalsContact CE2-CD2 3.48Å; W858-L901 HydrophobicContact CE3-CD2 3.98Å; W858-L901 HydrophobicContact CG-CD2 4.28Å; W858-L901 HydrophobicContact CH2-CD2 3.97Å; W858-L901 HydrophobicContact CZ2-CD2 3.63Å; W858-L901 HydrophobicContact CZ3-CD2 4.13Å; F897-L901 HydrophobicContact CD1-CD1 4.37Å; F897-L901 HydrophobicContact CE1-CD1 3.78Å; F897-L901 HydrophobicContact CE1-CG 4.34Å; F897-L901 HydrophobicContact CE2-CD2 4.29Å; F897-L901 HydrophobicContact CE2-CG 4.3Å; F897-L901 HydrophobicContact CZ-CD1 3.89Å; F897-L901 HydrophobicContact CZ-CD2 4.13Å; F897-L901 HydrophobicContact CZ-CG 4.08Å; F897-L901 PolarHBondContact O-N 2.96Å; L901-S905 WeakPolarHBondContact O-CB 3.19Å; L901-S905 PolarHBondContact O-N 3.24Å; L901-S905 VanDerWaalsContact O-N 3.13Å; L901-S905 PolarHBondContact O-OG 3.03Å; L901-A974 HydrophobicContact CD2-CB 4.4Å; L901-L978 HydrophobicContact CB-CB 4.09Å; L901-L978 HydrophobicContact CB-CD1 4.26Å; L901-L978 HydrophobicContact CD1-CB 4.48Å
902	R	96.8	Very high	95.1	Very high	38 Å²	38	28.2 Å²	28.2	14%	0.143	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-44.6	173.1	-165.8	-172.9	-171	162.6	15.6	112.8	T459 P460 L898 R899 F900 L904 S905 A906 L978	T459-R902 VanDerWaalsContact CG2-CZ 3.5Å; P460-R902 VanDerWaalsContact O-CZ 3.27Å; P460-R902 PolarHBondContact O-NH1 3.19Å; P460-R902 PolarHBondContact O-NH2 3.08Å; L898-R902 PolarHBondContact O-N 2.94Å; L898-R902 VanDerWaalsContact O-N 3.08Å; R899-R902 PolarHBondContact O-N 2.94Å; F900-R902 PolarHBondContact O-N 3.36Å; R902-L904 VanDerWaalsContact C-N 3.31Å; R902-L904 PolarHBondContact O-N 2.87Å; R902-S905 WeakPolarHBondContact CA-OG 3.4Å; R902-S905 PolarHBondContact O-N 3.5Å; R902-S905 PolarHBondContact O-OG 3.44Å; R902-A906 HydrophobicContact CG-CB 4.19Å; R902-A906 WeakPolarHBondContact O-CB 3.44Å; R902-A906 PolarHBondContact O-N 3.42Å; R902-L978 HydrophobicContact CB-CD2 3.85Å; R902-L978 HydrophobicContact CG-CD2 4.2Å
903	L	97.2	Very high	95.3	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.131	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-46.9	178	178.8	69.2	0	0	0	110.5	L876 L880 R899 F900 F907 L914	L876-L903 HydrophobicContact CB-CD2 4.39Å; L876-L903 HydrophobicContact CD2-CD2 4.25Å; L876-L903 VanDerWaalsContact O-CD2 3.29Å; L876-L903 WeakPolarHBondContact O-CD2 3.41Å; L880-L903 HydrophobicContact CD2-CB 4.18Å; L880-L903 HydrophobicContact CD2-CD2 4.04Å; R899-L903 WeakPolarHBondContact O-CB 3.42Å; R899-L903 PolarHBondContact O-N 3Å; F900-L903 PolarHBondContact O-N 2.93Å; F900-L903 VanDerWaalsContact O-N 3.15Å; L903-F907 HydrophobicContact CD1-CB 4.17Å; L903-F907 HydrophobicContact CD1-CD2 4.1Å; L903-F907 HydrophobicContact CD1-CG 4.33Å; L903-F907 WeakPolarHBondContact O-CB 3.34Å; L903-F907 PolarHBondContact O-N 3.34Å; L903-L914 HydrophobicContact CD1-CD1 4.25Å; L903-L914 HydrophobicContact CD2-CD2 4.42Å
904	L	97.6	Very high	95.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-48.9	176.1	-72.6	178.4	0	0	0	112.5	W858 I868 L876 F900 R902 W909 M944 V970 M971 A974	W858-L904 HydrophobicContact CE3-CD1 4.47Å; W858-L904 HydrophobicContact CH2-CD1 4.15Å; W858-L904 HydrophobicContact CZ3-CD1 3.6Å; I868-L904 HydrophobicContact CD1-CD2 3.95Å; L876-L904 HydrophobicContact CD1-CD2 4.1Å; F900-L904 HydrophobicContact CD1-CD1 4.29Å; F900-L904 HydrophobicContact CE1-CD1 3.57Å; F900-L904 HydrophobicContact CE1-CG 4.41Å; F900-L904 HydrophobicContact CE2-CD1 4.22Å; F900-L904 HydrophobicContact CE2-CG 4.33Å; F900-L904 HydrophobicContact CZ-CD1 3.53Å; F900-L904 HydrophobicContact CZ-CG 4.12Å; F900-L904 PolarHBondContact O-N 2.9Å; R902-L904 VanDerWaalsContact C-N 3.31Å; R902-L904 PolarHBondContact O-N 2.87Å; L904-W909 HydrophobicContact CD2-CZ2 4.47Å; L904-W909 PolarHBondContact O-NE1 3.43Å; L904-W909 VanDerWaalsContact O-NE1 3.1Å; L904-M944 HydrophobicContact CD2-CE 4.21Å; L904-V970 HydrophobicContact CB-CG1 4.41Å; L904-V970 HydrophobicContact CD1-CG1 3.83Å; L904-V970 HydrophobicContact CD2-CG1 4.03Å; L904-V970 HydrophobicContact CG-CG1 4.33Å; L904-M971 WeakPolarHBondContact O-CG 3.26Å; L904-A974 HydrophobicContact CB-CB 3.78Å; L904-A974 HydrophobicContact CD1-CB 4.3Å
905	S	96.6	Very high	95.5	Very high	27 Å²	27	29.3 Å²	29.3	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-80.5	-30.2	-170.9	51	0	0	0	0	115.5	L901 R902	L901-S905 WeakPolarHBondContact O-CB 3.19Å; L901-S905 PolarHBondContact O-N 3.24Å; L901-S905 VanDerWaalsContact O-N 3.13Å; L901-S905 PolarHBondContact O-OG 3.03Å; R902-S905 WeakPolarHBondContact CA-OG 3.4Å; R902-S905 PolarHBondContact O-N 3.5Å; R902-S905 PolarHBondContact O-OG 3.44Å
906	A	93.2	Very high	95.5	Very high	63 Å²	63	29.3 Å²	29.3	52%	0.521	15%	0.148	S	C	.	.	H	α-helix	trans	-115.6	-7.2	-169.5	0	0	0	0	0	115.1	R902	R902-A906 HydrophobicContact CG-CB 4.19Å; R902-A906 WeakPolarHBondContact O-CB 3.44Å; R902-A906 PolarHBondContact O-N 3.42Å
907	F	94.3	Very high	95.4	Very high	48 Å²	48	30.3 Å²	30.3	21%	0.211	15%	0.153	C	C	.	.	S	Bend	trans	-77.3	137.4	175.6	-173	-90.6	0	0	0	111.5	L903 W909 N912 L914	L903-F907 HydrophobicContact CD1-CB 4.17Å; L903-F907 HydrophobicContact CD1-CD2 4.1Å; L903-F907 HydrophobicContact CD1-CG 4.33Å; L903-F907 WeakPolarHBondContact O-CB 3.34Å; L903-F907 PolarHBondContact O-N 3.34Å; F907-W909 VanDerWaalsContact C-N 3.33Å; F907-W909 HydrophobicContact CB-CZ2 4.03Å; F907-W909 AromaticContact CD1-CD2 3.58Å; F907-W909 HydrophobicContact CD1-CD2 3.58Å; F907-W909 AromaticContact CD1-CE2 3.86Å; F907-W909 AromaticContact CD1-CE3 3.56Å; F907-W909 HydrophobicContact CD1-CE3 3.56Å; F907-W909 HydrophobicContact CD1-CG 4.09Å; F907-W909 HydrophobicContact CD1-CH2 4.08Å; F907-W909 HydrophobicContact CD1-CZ2 4.11Å; F907-W909 AromaticContact CD1-CZ3 3.82Å; F907-W909 HydrophobicContact CD1-CZ3 3.82Å; F907-W909 HydrophobicContact CE1-CD2 4.3Å; F907-W909 AromaticContact CE1-CE3 3.85Å; F907-W909 HydrophobicContact CE1-CE3 3.85Å; F907-W909 HydrophobicContact CE1-CZ3 4.06Å; F907-W909 HydrophobicContact CG-CD2 4.5Å; F907-W909 HydrophobicContact CG-CH2 4.48Å; F907-W909 HydrophobicContact CG-CZ2 4.35Å; F907-W909 PolarHBondContact O-N 3.17Å; F907-W909 PolarHBondContact O-NE1 2.95Å; F907-N912 HydrophobicContact CE1-CB 4.29Å; F907-N912 WeakPolarHBondContact CE1-O 3.47Å; F907-N912 HydrophobicContact CZ-CB 3.94Å; F907-L914 HydrophobicContact CE1-CB 4.36Å; F907-L914 HydrophobicContact CE2-CD1 4.02Å; F907-L914 HydrophobicContact CZ-CB 4.12Å; F907-L914 HydrophobicContact CZ-CD1 4.24Å
908	D	92.6	Very high	95.3	Very high	63 Å²	63	31.2 Å²	31.2	34%	0.337	16%	0.158	S	C	.	.			trans	-81.2	79.1	176.8	-177.5	2.9	0	0	0	111.5	R910 N911 N912	D908-R910 PolarHBondContact O-N 3.48Å; D908-R910 VanDerWaalsContact O-N 3.11Å; D908-R910 WeakPolarHBondContact OD1-CA 3.35Å; D908-R910 VanDerWaalsContact OD1-CB 3.31Å; D908-R910 WeakPolarHBondContact OD1-CB 3.45Å; D908-R910 PolarHBondContact OD1-N 3.44Å; D908-N911 PolarHBondContact O-N 3.45Å; D908-N911 PolarHBondContact OD1-N 2.9Å; D908-N911 PolarHBondContact OD1-ND2 3.3Å; D908-N911 VanDerWaalsContact OD2-CB 3.3Å; D908-N911 WeakPolarHBondContact OD2-CB 3.33Å; D908-N911 PolarHBondContact OD2-ND2 3.02Å; D908-N912 PolarHBondContact O-N 3.01Å
909	W	94.4	Very high	94.9	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.027	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	173.1	-55.1	106.7	0	0	0	113.8	L876 L904 F907 L914 R938 M944 L967	L876-W909 HydrophobicContact CD2-CH2 3.64Å; L876-W909 HydrophobicContact CD2-CZ3 4.36Å; L904-W909 HydrophobicContact CD2-CZ2 4.47Å; L904-W909 PolarHBondContact O-NE1 3.43Å; L904-W909 VanDerWaalsContact O-NE1 3.1Å; F907-W909 VanDerWaalsContact C-N 3.33Å; F907-W909 HydrophobicContact CB-CZ2 4.03Å; F907-W909 AromaticContact CD1-CD2 3.58Å; F907-W909 HydrophobicContact CD1-CD2 3.58Å; F907-W909 AromaticContact CD1-CE2 3.86Å; F907-W909 AromaticContact CD1-CE3 3.56Å; F907-W909 HydrophobicContact CD1-CE3 3.56Å; F907-W909 HydrophobicContact CD1-CG 4.09Å; F907-W909 HydrophobicContact CD1-CH2 4.08Å; F907-W909 HydrophobicContact CD1-CZ2 4.11Å; F907-W909 AromaticContact CD1-CZ3 3.82Å; F907-W909 HydrophobicContact CD1-CZ3 3.82Å; F907-W909 HydrophobicContact CE1-CD2 4.3Å; F907-W909 AromaticContact CE1-CE3 3.85Å; F907-W909 HydrophobicContact CE1-CE3 3.85Å; F907-W909 HydrophobicContact CE1-CZ3 4.06Å; F907-W909 HydrophobicContact CG-CD2 4.5Å; F907-W909 HydrophobicContact CG-CH2 4.48Å; F907-W909 HydrophobicContact CG-CZ2 4.35Å; F907-W909 PolarHBondContact O-N 3.17Å; F907-W909 PolarHBondContact O-NE1 2.95Å; W909-L914 HydrophobicContact CH2-CD2 4.16Å; W909-L914 HydrophobicContact CZ3-CB 4.16Å; W909-L914 HydrophobicContact CZ3-CD2 4.26Å; W909-R938 PolarHBondContact O-NH2 3.47Å; W909-M944 HydrophobicContact CD2-CE 4.46Å; W909-M944 HydrophobicContact CE3-CB 4.32Å; W909-M944 HydrophobicContact CE3-CE 4.39Å; W909-M944 HydrophobicContact CE3-CG 3.76Å; W909-M944 HydrophobicContact CH2-CE 3.93Å; W909-M944 HydrophobicContact CH2-CG 4.38Å; W909-M944 HydrophobicContact CZ2-CE 3.98Å; W909-M944 HydrophobicContact CZ3-CE 4.14Å; W909-M944 HydrophobicContact CZ3-CG 3.68Å; W909-M944 HydrophobicContact CZ3-SD 4.45Å; W909-L967 HydrophobicContact CB-CD2 3.96Å; W909-L967 HydrophobicContact CG-CD2 4.03Å
910	R	92.1	Very high	94.6	Very high	189 Å²	189	43.3 Å²	43.3	71%	0.713	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-52.2	179.6	-172.5	-176.8	177.9	166.4	0.6	110.6	D908 R938	D908-R910 PolarHBondContact O-N 3.48Å; D908-R910 VanDerWaalsContact O-N 3.11Å; D908-R910 WeakPolarHBondContact OD1-CA 3.35Å; D908-R910 VanDerWaalsContact OD1-CB 3.31Å; D908-R910 WeakPolarHBondContact OD1-CB 3.45Å; D908-R910 PolarHBondContact OD1-N 3.44Å; R910-R938 PolarHBondContact O-NE 2.57Å
911	N	91	Very high	94.3	Very high	71 Å²	71	48.1 Å²	48.1	38%	0.38	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-2.3	-168.9	-43.2	-62.1	0	0	0	114.6	D908	D908-N911 PolarHBondContact O-N 3.45Å; D908-N911 PolarHBondContact OD1-N 2.9Å; D908-N911 PolarHBondContact OD1-ND2 3.3Å; D908-N911 VanDerWaalsContact OD2-CB 3.3Å; D908-N911 WeakPolarHBondContact OD2-CB 3.33Å; D908-N911 PolarHBondContact OD2-ND2 3.02Å
912	N	92.1	Very high	94	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	24%	0.24	C	C	.	.			trans	-130.6	140.1	176.1	-66.4	-82.2	0	0	0	113	F907 D908 K931	F907-N912 HydrophobicContact CE1-CB 4.29Å; F907-N912 WeakPolarHBondContact CE1-O 3.47Å; F907-N912 HydrophobicContact CZ-CB 3.94Å; D908-N912 PolarHBondContact O-N 3.01Å; N912-K931 PolarHBondContact OD1-NZ 3.27Å
913	P	95.5	Very high	93.8	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.091	26%	0.256	C	S	.	.			trans	-82.1	141.8	167.6	33.1	-31	0	0	0	110.6	I930 F934 F945	P913-I930 HydrophobicContact CB-CG2 4.23Å; P913-I930 HydrophobicContact CG-CG2 4.05Å; P913-F934 HydrophobicContact CB-CB 4.23Å; P913-F934 HydrophobicContact CB-CD1 4.33Å; P913-F934 HydrophobicContact CB-CD2 3.89Å; P913-F934 HydrophobicContact CB-CE2 4.29Å; P913-F934 HydrophobicContact CB-CG 3.89Å; P913-F934 HydrophobicContact CG-CB 4.12Å; P913-F934 HydrophobicContact CG-CD1 4.16Å; P913-F934 HydrophobicContact CG-CG 4.02Å; P913-F945 HydrophobicContact CB-CD1 3.44Å; P913-F945 VanDerWaalsContact CB-CD1 3.44Å; P913-F945 HydrophobicContact CB-CE1 3.81Å
914	L	96.4	Very high	93.3	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.4	169.1	-175.1	68.7	0	0	0	109.3	L876 L903 F907 W909 V916 F945 I946 A947	L876-L914 HydrophobicContact CD2-CD2 3.66Å; L903-L914 HydrophobicContact CD1-CD1 4.25Å; L903-L914 HydrophobicContact CD2-CD2 4.42Å; F907-L914 HydrophobicContact CE1-CB 4.36Å; F907-L914 HydrophobicContact CE2-CD1 4.02Å; F907-L914 HydrophobicContact CZ-CB 4.12Å; F907-L914 HydrophobicContact CZ-CD1 4.24Å; W909-L914 HydrophobicContact CH2-CD2 4.16Å; W909-L914 HydrophobicContact CZ3-CB 4.16Å; W909-L914 HydrophobicContact CZ3-CD2 4.26Å; L914-V916 HydrophobicContact CD2-CG2 4.48Å; L914-V916 HydrophobicContact CG-CG2 4.43Å; L914-F945 PolarHBondContact N-O 2.95Å; L914-I946 HydrophobicContact CD2-CG1 4.41Å; L914-I946 CarbonylContact O-C 3.55Å; L914-I946 VanDerWaalsContact O-CA 3.32Å; L914-I946 WeakPolarHBondContact O-CA 3.13Å; L914-A947 PolarHBondContact O-N 3.29Å
915	V	95.9	Very high	93	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.5	-176	-176.5	0	0	0	0	110.4	Q883 N917 L922 Y927 I930 A947	Q883-V915 PolarHBondContact NE2-O 3.35Å; Q883-V915 PolarHBondContact OE1-O 2.89Å; Q883-V915 VanDerWaalsContact OE1-O 3.08Å; V915-N917 PolarHBondContact O-N 2.92Å; V915-L922 HydrophobicContact CG1-CD1 3.55Å; V915-Y927 HydrophobicContact CB-CD1 4.04Å; V915-Y927 HydrophobicContact CB-CE1 3.77Å; V915-Y927 HydrophobicContact CG1-CD1 3.9Å; V915-Y927 HydrophobicContact CG1-CE1 3.63Å; V915-Y927 HydrophobicContact CG1-CE2 4.38Å; V915-Y927 HydrophobicContact CG1-CG 4.41Å; V915-Y927 HydrophobicContact CG2-CD1 4.12Å; V915-Y927 HydrophobicContact CG2-CE1 4.35Å; V915-I930 HydrophobicContact CG1-CD1 4.18Å; V915-I930 HydrophobicContact CG2-CG2 4.06Å; V915-A947 HydrophobicContact CG2-CB 4.43Å
916	V	96.5	Very high	92.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.			trans	-94.9	93	-179.4	-171.1	0	0	0	0	109.6	L875 A878 L882 L914 L918 I946 A947 P949	L875-V916 HydrophobicContact CD2-CB 4.49Å; L875-V916 HydrophobicContact CD2-CG1 4.11Å; A878-V916 HydrophobicContact CB-CG1 4.07Å; L882-V916 HydrophobicContact CD1-CG1 3.94Å; L914-V916 HydrophobicContact CD2-CG2 4.48Å; L914-V916 HydrophobicContact CG-CG2 4.43Å; V916-L918 HydrophobicContact CG1-CD2 3.8Å; V916-L918 HydrophobicContact CG1-CG 4.07Å; V916-L918 PolarHBondContact O-N 3.36Å; V916-I946 HydrophobicContact CG2-CG2 3.63Å; V916-A947 PolarHBondContact N-O 3.26Å; V916-P949 WeakPolarHBondContact O-CD 3.39Å
917	N	94.2	Very high	92.7	Very high	20 Å²	20	54 Å²	54	11%	0.107	28%	0.276	C	S	.	.			trans	-76.8	65.7	-175.8	-166.9	4.5	0	0	0	113.5	V915 N919 K920 Q921 L922 Y927	V915-N917 PolarHBondContact O-N 2.92Å; N917-N919 PolarHBondContact O-N 3Å; N917-K920 PolarHBondContact O-N 2.81Å; N917-K920 VanDerWaalsContact O-N 3.16Å; N917-K920 VanDerWaalsContact OD1-C 3.3Å; N917-K920 WeakPolarHBondContact OD1-CA 3.43Å; N917-Q921 PolarHBondContact OD1-N 3.28Å; N917-L922 PolarHBondContact ND2-O 2.77Å; N917-L922 WeakPolarHBondContact OD1-CB 3.36Å; N917-L922 PolarHBondContact OD1-N 2.92Å; N917-Y927 HydrophobicContact CB-CE2 4.5Å; N917-Y927 WeakPolarHBondContact CB-OH 3.47Å
918	L	93.4	Very high	92.4	Very high	19 Å²	19	55.3 Å²	55.3	10%	0.099	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-54	132.4	176.6	-60.5	174.8	0	0	0	111.2	L834 T837 L838 L875 L882 V916 K920 Q921 P949	L834-L918 HydrophobicContact CD1-CD1 4.5Å; T837-L918 HydrophobicContact CG2-CB 3.77Å; T837-L918 HydrophobicContact CG2-CD1 4.03Å; T837-L918 HydrophobicContact CG2-CD2 4.13Å; T837-L918 HydrophobicContact CG2-CG 4.19Å; L838-L918 HydrophobicContact CD2-CD2 3.96Å; L875-L918 HydrophobicContact CD2-CD1 4.13Å; L875-L918 HydrophobicContact CD2-CD2 4.45Å; L882-L918 HydrophobicContact CD1-CD2 3.94Å; V916-L918 HydrophobicContact CG1-CD2 3.8Å; V916-L918 HydrophobicContact CG1-CG 4.07Å; V916-L918 PolarHBondContact O-N 3.36Å; L918-K920 PolarHBondContact O-N 2.77Å; L918-Q921 PolarHBondContact O-N 2.71Å; L918-P949 HydrophobicContact CB-CG 4.17Å; L918-P949 WeakPolarHBondContact O-CG 3.48Å
919	N	89.7	Confident	92.5	Very high	84 Å²	84	55.5 Å²	55.5	45%	0.449	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	53.5	20.5	-178.1	-60.9	-28.5	0	0	0	115.3	N917 Q921	N917-N919 PolarHBondContact O-N 3Å; N919-Q921 HydrophobicContact CB-CG 4.04Å; N919-Q921 PolarHBondContact O-N 2.74Å
920	K	90.3	Very high	92.5	Very high	181 Å²	181	55.2 Å²	55.2	79%	0.787	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	54.8	34.5	-177.3	-56.2	-175.3	178.7	-175	0	113.8	N917 L918	N917-K920 PolarHBondContact O-N 2.81Å; N917-K920 VanDerWaalsContact O-N 3.16Å; N917-K920 VanDerWaalsContact OD1-C 3.3Å; N917-K920 WeakPolarHBondContact OD1-CA 3.43Å; L918-K920 PolarHBondContact O-N 2.77Å
921	Q	92.6	Very high	92.5	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	27%	0.271	S	S	.	.			trans	-80.6	-19.6	-176.3	-70.1	-179.6	3.4	0	0	114.6	N917 L918 N919 P949	N917-Q921 PolarHBondContact OD1-N 3.28Å; L918-Q921 PolarHBondContact O-N 2.71Å; N919-Q921 HydrophobicContact CB-CG 4.04Å; N919-Q921 PolarHBondContact O-N 2.74Å; Q921-P949 HydrophobicContact CB-CB 3.7Å; Q921-P949 HydrophobicContact CB-CG 3.8Å
922	L	92.6	Very high	92.6	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	28%	0.281	C	S	.	.			trans	-90.5	131.2	174.8	-64.7	168.2	0	0	0	111	V915 N917 E926 Y927 I930 P949 K952	V915-L922 HydrophobicContact CG1-CD1 3.55Å; N917-L922 PolarHBondContact ND2-O 2.77Å; N917-L922 WeakPolarHBondContact OD1-CB 3.36Å; N917-L922 PolarHBondContact OD1-N 2.92Å; L922-E926 HydrophobicContact CD2-CB 4.04Å; L922-Y927 HydrophobicContact CB-CD2 4.33Å; L922-Y927 HydrophobicContact CB-CE2 4.06Å; L922-I930 HydrophobicContact CD1-CD1 4.04Å; L922-I930 HydrophobicContact CD2-CD1 4.26Å; L922-P949 HydrophobicContact CD1-CG 4.44Å; L922-P949 HydrophobicContact CG-CB 4.44Å; L922-P949 HydrophobicContact CG-CG 4.15Å; L922-K952 HydrophobicContact CD2-CG 4.5Å
923	T	91.8	Very high	92.7	Very high	80 Å²	80	52.7 Å²	52.7	49%	0.491	28%	0.283	S	S	.	.			trans	-87.8	160.9	172.1	64.5	0	0	0	0	111.8	A925 E926 Y927	T923-A925 PolarHBondContact O-N 3.29Å; T923-E926 WeakPolarHBondContact CB-OE2 3.45Å; T923-E926 PolarHBondContact N-OE2 3.04Å; T923-E926 WeakPolarHBondContact O-CB 3.4Å; T923-E926 PolarHBondContact O-N 3.27Å; T923-E926 WeakPolarHBondContact OG1-CG 3.37Å; T923-E926 PolarHBondContact OG1-OE2 2.77Å; T923-Y927 WeakPolarHBondContact O-CD2 3.4Å; T923-Y927 PolarHBondContact O-N 2.94Å
924	A	87.3	Confident	92.7	Very high	45 Å²	45	52.1 Å²	52.1	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-31.8	-179.3	0	0	0	0	0	114	P448 T449 E926 Y927 T928	P448-A924 HydrophobicContact CB-CB 4.47Å; P448-A924 HydrophobicContact CG-CB 3.83Å; T449-A924 HydrophobicContact CG2-CB 4.33Å; A924-E926 VanDerWaalsContact C-N 3.28Å; A924-E926 PolarHBondContact O-N 3.32Å; A924-Y927 WeakPolarHBondContact O-CB 3.28Å; A924-Y927 PolarHBondContact O-N 2.76Å; A924-T928 PolarHBondContact O-N 3.31Å
925	A	89.8	Confident	92.6	Very high	69 Å²	69	56.5 Å²	56.5	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-67.6	-27.5	174.3	0	0	0	0	0	113	T923 T928 E929	T923-A925 PolarHBondContact O-N 3.29Å; A925-T928 PolarHBondContact O-OG1 3.18Å; A925-E929 PolarHBondContact O-N 3.14Å
926	E	93.3	Very high	92.5	Very high	46 Å²	46	60.2 Å²	60.2	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-81.5	-25.3	176.9	-62.8	169.2	98.7	0	0	111.8	L922 T923 A924 I930 K952	L922-E926 HydrophobicContact CD2-CB 4.04Å; T923-E926 WeakPolarHBondContact CB-OE2 3.45Å; T923-E926 PolarHBondContact N-OE2 3.04Å; T923-E926 WeakPolarHBondContact O-CB 3.4Å; T923-E926 PolarHBondContact O-N 3.27Å; T923-E926 WeakPolarHBondContact OG1-CG 3.37Å; T923-E926 PolarHBondContact OG1-OE2 2.77Å; A924-E926 VanDerWaalsContact C-N 3.28Å; A924-E926 PolarHBondContact O-N 3.32Å; E926-I930 WeakPolarHBondContact O-CB 3.34Å; E926-I930 VanDerWaalsContact O-CD1 3.27Å; E926-I930 WeakPolarHBondContact O-CD1 3.3Å; E926-I930 WeakPolarHBondContact O-CG1 3.39Å; E926-I930 PolarHBondContact O-N 2.79Å; E926-K952 WeakPolarHBondContact OE1-CE 3.5Å; E926-K952 IonicContact OE1-NZ 3.48Å; E926-K952 PolarHBondContact OE1-NZ 3.04Å
927	Y	90.6	Very high	92.4	Very high	27 Å²	27	62.8 Å²	62.8	11%	0.106	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-42.6	168.6	-84.2	-107	0	0	0	111.5	T449 Q883 V915 N917 L922 T923 A924 I930 K931	T449-Y927 HydrophobicContact CG2-CD1 4.12Å; T449-Y927 HydrophobicContact CG2-CD2 3.68Å; T449-Y927 HydrophobicContact CG2-CE1 4.04Å; T449-Y927 HydrophobicContact CG2-CE2 3.58Å; T449-Y927 HydrophobicContact CG2-CG 3.92Å; Q883-Y927 VanDerWaalsContact NE2-CE1 3.28Å; Q883-Y927 PolarHBondContact NE2-OH 2.78Å; V915-Y927 HydrophobicContact CB-CD1 4.04Å; V915-Y927 HydrophobicContact CB-CE1 3.77Å; V915-Y927 HydrophobicContact CG1-CD1 3.9Å; V915-Y927 HydrophobicContact CG1-CE1 3.63Å; V915-Y927 HydrophobicContact CG1-CE2 4.38Å; V915-Y927 HydrophobicContact CG1-CG 4.41Å; V915-Y927 HydrophobicContact CG2-CD1 4.12Å; V915-Y927 HydrophobicContact CG2-CE1 4.35Å; N917-Y927 HydrophobicContact CB-CE2 4.5Å; N917-Y927 WeakPolarHBondContact CB-OH 3.47Å; L922-Y927 HydrophobicContact CB-CD2 4.33Å; L922-Y927 HydrophobicContact CB-CE2 4.06Å; T923-Y927 WeakPolarHBondContact O-CD2 3.4Å; T923-Y927 PolarHBondContact O-N 2.94Å; A924-Y927 WeakPolarHBondContact O-CB 3.28Å; A924-Y927 PolarHBondContact O-N 2.76Å; Y927-I930 PolarHBondContact O-N 2.84Å; Y927-K931 PolarHBondContact O-N 3.17Å
928	T	88.9	Confident	92.3	Very high	77 Å²	77	64.1 Å²	64.1	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-72.2	-36.4	177	56.7	0	0	0	0	111.8	A924 A925 K931 N932	A924-T928 PolarHBondContact O-N 3.31Å; A925-T928 PolarHBondContact O-OG1 3.18Å; T928-K931 PolarHBondContact O-N 3.41Å; T928-N932 WeakPolarHBondContact O-CB 3.36Å; T928-N932 PolarHBondContact O-N 2.92Å; T928-N932 PolarHBondContact O-ND2 3.28Å
929	E	93.8	Very high	92.3	Very high	66 Å²	66	73 Å²	73	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-53.2	-55.1	166.8	-170.8	-158.7	170.4	0	0	111.1	A925 K931 N932 D933 K952 K953	A925-E929 PolarHBondContact O-N 3.14Å; E929-K931 PolarHBondContact O-N 3.16Å; E929-N932 PolarHBondContact O-N 3.4Å; E929-D933 WeakPolarHBondContact O-CB 3.49Å; E929-D933 PolarHBondContact O-N 2.83Å; E929-K952 IonicContact OE2-NZ 3.91Å; E929-K952 PolarHBondContact OE2-NZ 3.1Å; E929-K953 IonicContact OE1-NZ 3.6Å; E929-K953 PolarHBondContact OE1-NZ 3.01Å
930	I	95.3	Very high	92.3	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-58.9	-44	-178.8	-70.3	160	0	0	0	111.4	P913 V915 L922 E926 Y927 F934 F945 A947 K952	P913-I930 HydrophobicContact CB-CG2 4.23Å; P913-I930 HydrophobicContact CG-CG2 4.05Å; V915-I930 HydrophobicContact CG1-CD1 4.18Å; V915-I930 HydrophobicContact CG2-CG2 4.06Å; L922-I930 HydrophobicContact CD1-CD1 4.04Å; L922-I930 HydrophobicContact CD2-CD1 4.26Å; E926-I930 WeakPolarHBondContact O-CB 3.34Å; E926-I930 VanDerWaalsContact O-CD1 3.27Å; E926-I930 WeakPolarHBondContact O-CD1 3.3Å; E926-I930 WeakPolarHBondContact O-CG1 3.39Å; E926-I930 PolarHBondContact O-N 2.79Å; Y927-I930 PolarHBondContact O-N 2.84Å; I930-F934 WeakPolarHBondContact O-CB 3.39Å; I930-F934 PolarHBondContact O-N 2.88Å; I930-F945 HydrophobicContact CG2-CE1 4.42Å; I930-A947 HydrophobicContact CD1-CB 4.14Å; I930-A947 HydrophobicContact CG2-CB 3.79Å; I930-K952 HydrophobicContact CD1-CB 4.37Å; I930-K952 HydrophobicContact CD1-CD 4.5Å; I930-K952 HydrophobicContact CD1-CG 4.08Å; I930-K952 HydrophobicContact CG1-CB 3.89Å; I930-K952 HydrophobicContact CG1-CD 4.29Å; I930-K952 HydrophobicContact CG1-CG 4.05Å
931	K	91.9	Very high	92.5	Very high	90 Å²	90	66.2 Å²	66.2	39%	0.391	38%	0.375	S	S	.	.	H	α-helix	trans	-67.2	-40	179.9	-173.2	161.5	178.2	159.9	0	112.2	N912 Y927 T928 E929 M935	N912-K931 PolarHBondContact OD1-NZ 3.27Å; Y927-K931 PolarHBondContact O-N 3.17Å; T928-K931 PolarHBondContact O-N 3.41Å; E929-K931 PolarHBondContact O-N 3.16Å; K931-M935 VanDerWaalsContact O-CG 3.3Å; K931-M935 WeakPolarHBondContact O-CG 3.5Å; K931-M935 PolarHBondContact O-N 3.46Å; K931-M935 VanDerWaalsContact O-N 3.09Å
932	N	92.4	Very high	92.6	Very high	109 Å²	109	62.5 Å²	62.5	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-67.1	-47.2	178	-69.5	-17.4	0	0	0	111.6	T928 E929 F934 M935 A936	T928-N932 WeakPolarHBondContact O-CB 3.36Å; T928-N932 PolarHBondContact O-N 2.92Å; T928-N932 PolarHBondContact O-ND2 3.28Å; E929-N932 PolarHBondContact O-N 3.4Å; N932-F934 PolarHBondContact O-N 2.81Å; N932-M935 PolarHBondContact O-N 3.24Å; N932-A936 WeakPolarHBondContact O-CB 3.39Å; N932-A936 PolarHBondContact O-N 3.34Å
933	D	94.5	Very high	92.7	Very high	53 Å²	53	63.8 Å²	63.8	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.5	-85.4	9.4	0	0	0	112.5	E929 A936 S937 K953	E929-D933 WeakPolarHBondContact O-CB 3.49Å; E929-D933 PolarHBondContact O-N 2.83Å; D933-A936 PolarHBondContact O-N 2.92Å; D933-S937 VanDerWaalsContact O-CB 3.29Å; D933-S937 WeakPolarHBondContact O-CB 3.3Å; D933-S937 PolarHBondContact O-N 3.13Å; D933-S937 PolarHBondContact O-OG 3.5Å; D933-K953 WeakPolarHBondContact OD2-CD 3.47Å; D933-K953 WeakPolarHBondContact OD2-CE 3.25Å; D933-K953 IonicContact OD2-NZ 2.72Å; D933-K953 PolarHBondContact OD2-NZ 2.99Å
934	F	95.6	Very high	93	Very high	1 Å²	1	60 Å²	60	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-45.2	177.7	169.7	-94.1	0	0	0	111.4	P913 I930 N932 R938 L941 F945	P913-F934 HydrophobicContact CB-CB 4.23Å; P913-F934 HydrophobicContact CB-CD1 4.33Å; P913-F934 HydrophobicContact CB-CD2 3.89Å; P913-F934 HydrophobicContact CB-CE2 4.29Å; P913-F934 HydrophobicContact CB-CG 3.89Å; P913-F934 HydrophobicContact CG-CB 4.12Å; P913-F934 HydrophobicContact CG-CD1 4.16Å; P913-F934 HydrophobicContact CG-CG 4.02Å; I930-F934 WeakPolarHBondContact O-CB 3.39Å; I930-F934 PolarHBondContact O-N 2.88Å; N932-F934 PolarHBondContact O-N 2.81Å; F934-R938 VanDerWaalsContact CZ-NE 3.26Å; F934-R938 VanDerWaalsContact O-CA 3.23Å; F934-R938 WeakPolarHBondContact O-CA 3.24Å; F934-R938 WeakPolarHBondContact O-CB 3.39Å; F934-R938 PolarHBondContact O-N 3.22Å; F934-R938 VanDerWaalsContact O-N 3.08Å; F934-L941 HydrophobicContact CB-CD1 4.42Å; F934-L941 HydrophobicContact CD2-CD1 3.79Å; F934-L941 HydrophobicContact CG-CD1 4.41Å; F934-F945 HydrophobicContact CD2-CB 4Å; F934-F945 AromaticContact CD2-CD1 3.67Å; F934-F945 HydrophobicContact CD2-CD1 3.67Å; F934-F945 HydrophobicContact CD2-CD2 4.06Å; F934-F945 HydrophobicContact CD2-CE1 4.07Å; F934-F945 HydrophobicContact CD2-CE2 4.46Å; F934-F945 AromaticContact CD2-CG 3.65Å; F934-F945 HydrophobicContact CD2-CG 3.65Å; F934-F945 HydrophobicContact CD2-CZ 4.45Å; F934-F945 HydrophobicContact CE2-CB 3.55Å; F934-F945 HydrophobicContact CE2-CD1 4.08Å; F934-F945 HydrophobicContact CE2-CD2 4.36Å; F934-F945 AromaticContact CE2-CG 3.76Å; F934-F945 HydrophobicContact CE2-CG 3.76Å
935	M	93.4	Very high	93.4	Very high	99 Å²	99	57.9 Å²	57.9	49%	0.488	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-43	177.3	-71	-59.7	-65.1	0	0	112	K931 N932 S937	K931-M935 VanDerWaalsContact O-CG 3.3Å; K931-M935 WeakPolarHBondContact O-CG 3.5Å; K931-M935 PolarHBondContact O-N 3.46Å; K931-M935 VanDerWaalsContact O-N 3.09Å; N932-M935 PolarHBondContact O-N 3.24Å; M935-S937 VanDerWaalsContact C-N 3.27Å; M935-S937 PolarHBondContact O-N 3.06Å
936	A	94.5	Very high	93.8	Very high	88 Å²	88	54.6 Å²	54.6	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-64.9	-29.5	178.8	0	0	0	0	0	113.2	N932 D933	N932-A936 WeakPolarHBondContact O-CB 3.39Å; N932-A936 PolarHBondContact O-N 3.34Å; D933-A936 PolarHBondContact O-N 2.92Å
937	S	94.4	Very high	94	Very high	53 Å²	53	52.4 Å²	52.4	37%	0.371	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	3.2	-173.9	-45.8	0	0	0	0	113.8	D933 M935 E939 S940	D933-S937 VanDerWaalsContact O-CB 3.29Å; D933-S937 WeakPolarHBondContact O-CB 3.3Å; D933-S937 PolarHBondContact O-N 3.13Å; D933-S937 PolarHBondContact O-OG 3.5Å; M935-S937 VanDerWaalsContact C-N 3.27Å; M935-S937 PolarHBondContact O-N 3.06Å; S937-E939 VanDerWaalsContact C-N 3.3Å; S937-E939 PolarHBondContact O-N 2.99Å; S937-S940 PolarHBondContact O-N 2.83Å; S937-S940 PolarHBondContact O-OG 2.93Å
938	R	93.4	Very high	94.2	Very high	49 Å²	49	51.5 Å²	51.5	19%	0.185	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.2	-39.3	-154.7	-177	61	-167.2	111.6	-26.9	115.7	W909 R910 F934 S940 L941 P942 V943	W909-R938 PolarHBondContact O-NH2 3.47Å; R910-R938 PolarHBondContact O-NE 2.57Å; F934-R938 VanDerWaalsContact CZ-NE 3.26Å; F934-R938 VanDerWaalsContact O-CA 3.23Å; F934-R938 WeakPolarHBondContact O-CA 3.24Å; F934-R938 WeakPolarHBondContact O-CB 3.39Å; F934-R938 PolarHBondContact O-N 3.22Å; F934-R938 VanDerWaalsContact O-N 3.08Å; R938-S940 PolarHBondContact O-N 2.89Å; R938-L941 PolarHBondContact NH1-O 3.02Å; R938-L941 PolarHBondContact O-N 3.38Å; R938-P942 PolarHBondContact NH1-O 2.69Å; R938-P942 PolarHBondContact NH2-O 2.81Å; R938-P942 VanDerWaalsContact NH2-O 3.11Å; R938-V943 PolarHBondContact NH2-O 3.39Å
939	E	91.5	Very high	94.5	Very high	204 Å²	204	49 Å²	49	95%	0.953	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-65	-25	-178.3	-57.4	-170.6	152.6	0	0	113.2	S937	S937-E939 VanDerWaalsContact C-N 3.3Å; S937-E939 PolarHBondContact O-N 2.99Å
940	S	91.2	Very high	94.4	Very high	99 Å²	99	52.5 Å²	52.5	69%	0.692	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.3	178.5	71.7	0	0	0	0	114	S937 R938	S937-S940 PolarHBondContact O-N 2.83Å; S937-S940 PolarHBondContact O-OG 2.93Å; R938-S940 PolarHBondContact O-N 2.89Å
941	L	94.6	Very high	94.3	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.131	29%	0.29	C	S	.	.	S	Bend	trans	-96.8	150.9	-171.6	-63.7	-178.8	0	0	0	111.9	F934 R938 F945 K953	F934-L941 HydrophobicContact CB-CD1 4.42Å; F934-L941 HydrophobicContact CD2-CD1 3.79Å; F934-L941 HydrophobicContact CG-CD1 4.41Å; R938-L941 PolarHBondContact NH1-O 3.02Å; R938-L941 PolarHBondContact O-N 3.38Å; L941-F945 HydrophobicContact CB-CD2 4.12Å; L941-F945 HydrophobicContact CB-CE2 4.49Å; L941-F945 HydrophobicContact CD1-CD2 4.01Å; L941-F945 HydrophobicContact CD1-CE2 3.76Å; L941-F945 HydrophobicContact CD1-CZ 4.41Å; L941-F945 HydrophobicContact CD2-CD2 4.4Å; L941-F945 HydrophobicContact CD2-CE2 3.96Å; L941-F945 HydrophobicContact CG-CD2 4.41Å; L941-F945 HydrophobicContact CG-CE2 4.29Å; L941-K953 WeakPolarHBondContact CD2-O 3.36Å
942	P	94.4	Very high	94.4	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	28%	0.28	C	S	.	.			trans	-57.6	158.9	179.1	24	-34.7	0	0	0	113.1	R938 M944 F945 T958	R938-P942 PolarHBondContact NH1-O 2.69Å; R938-P942 PolarHBondContact NH2-O 2.81Å; R938-P942 VanDerWaalsContact NH2-O 3.11Å; P942-M944 WeakPolarHBondContact CB-O 3.49Å; P942-M944 WeakPolarHBondContact CG-O 3.36Å; P942-F945 HydrophobicContact CG-CD2 4.28Å; P942-T958 VanDerWaalsContact CB-O 3.3Å; P942-T958 WeakPolarHBondContact CB-O 3.26Å
943	V	94.6	Very high	94.4	Very high	37 Å²	37	50.6 Å²	50.6	22%	0.224	27%	0.273	C	S	.	.	S	Bend	trans	-67.5	-39	-175.2	-60.1	0	0	0	0	111.8	R938 P962 V964 L967	R938-V943 PolarHBondContact NH2-O 3.39Å; V943-P962 HydrophobicContact CG2-CG 4.08Å; V943-P962 WeakPolarHBondContact CG2-O 3.38Å; V943-V964 HydrophobicContact CG1-CB 4.34Å; V943-V964 HydrophobicContact CG1-CG2 3.51Å; V943-L967 HydrophobicContact CB-CD2 4.02Å; V943-L967 HydrophobicContact CG2-CB 4.17Å; V943-L967 HydrophobicContact CG2-CD2 3.79Å
944	M	96.8	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-98	125	163.8	178.8	180	-81.5	0	0	107.2	I868 T872 L876 L904 W909 P942 I946 T958 P962 L967	I868-M944 HydrophobicContact CD1-CE 3.93Å; I868-M944 HydrophobicContact CG1-CE 4.49Å; T872-M944 HydrophobicContact CG2-SD 4.14Å; L876-M944 HydrophobicContact CD1-CE 4.21Å; L876-M944 HydrophobicContact CD1-SD 4.3Å; L876-M944 HydrophobicContact CD2-CE 4.4Å; L876-M944 HydrophobicContact CD2-SD 4.33Å; L904-M944 HydrophobicContact CD2-CE 4.21Å; W909-M944 HydrophobicContact CD2-CE 4.46Å; W909-M944 HydrophobicContact CE3-CB 4.32Å; W909-M944 HydrophobicContact CE3-CE 4.39Å; W909-M944 HydrophobicContact CE3-CG 3.76Å; W909-M944 HydrophobicContact CH2-CE 3.93Å; W909-M944 HydrophobicContact CH2-CG 4.38Å; W909-M944 HydrophobicContact CZ2-CE 3.98Å; W909-M944 HydrophobicContact CZ3-CE 4.14Å; W909-M944 HydrophobicContact CZ3-CG 3.68Å; W909-M944 HydrophobicContact CZ3-SD 4.45Å; P942-M944 WeakPolarHBondContact CB-O 3.49Å; P942-M944 WeakPolarHBondContact CG-O 3.36Å; M944-I946 HydrophobicContact CG-CG1 4.29Å; M944-I946 HydrophobicContact SD-CD1 4.3Å; M944-T958 HydrophobicContact CB-CG2 4.32Å; M944-T958 HydrophobicContact CG-CG2 3.92Å; M944-T958 VanDerWaalsContact O-CB 3.31Å; M944-T958 WeakPolarHBondContact O-CB 3.49Å; M944-T958 PolarHBondContact O-OG1 3.08Å; M944-T958 HydrophobicContact SD-CG2 3.78Å; M944-P962 HydrophobicContact CB-CG 4.03Å; M944-L967 HydrophobicContact CB-CD2 4.36Å; M944-L967 HydrophobicContact CE-CD1 3.9Å
945	F	97.6	Very high	94.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	28%	0.28	C	S	.	.			trans	-123.3	115.7	178.5	-174.9	-84.2	0	0	0	110	P913 L914 I930 F934 L941 P942 A947 S955	P913-F945 HydrophobicContact CB-CD1 3.44Å; P913-F945 VanDerWaalsContact CB-CD1 3.44Å; P913-F945 HydrophobicContact CB-CE1 3.81Å; L914-F945 PolarHBondContact N-O 2.95Å; I930-F945 HydrophobicContact CG2-CE1 4.42Å; F934-F945 HydrophobicContact CD2-CB 4Å; F934-F945 AromaticContact CD2-CD1 3.67Å; F934-F945 HydrophobicContact CD2-CD1 3.67Å; F934-F945 HydrophobicContact CD2-CD2 4.06Å; F934-F945 HydrophobicContact CD2-CE1 4.07Å; F934-F945 HydrophobicContact CD2-CE2 4.46Å; F934-F945 AromaticContact CD2-CG 3.65Å; F934-F945 HydrophobicContact CD2-CG 3.65Å; F934-F945 HydrophobicContact CD2-CZ 4.45Å; F934-F945 HydrophobicContact CE2-CB 3.55Å; F934-F945 HydrophobicContact CE2-CD1 4.08Å; F934-F945 HydrophobicContact CE2-CD2 4.36Å; F934-F945 AromaticContact CE2-CG 3.76Å; F934-F945 HydrophobicContact CE2-CG 3.76Å; L941-F945 HydrophobicContact CB-CD2 4.12Å; L941-F945 HydrophobicContact CB-CE2 4.49Å; L941-F945 HydrophobicContact CD1-CD2 4.01Å; L941-F945 HydrophobicContact CD1-CE2 3.76Å; L941-F945 HydrophobicContact CD1-CZ 4.41Å; L941-F945 HydrophobicContact CD2-CD2 4.4Å; L941-F945 HydrophobicContact CD2-CE2 3.96Å; L941-F945 HydrophobicContact CG-CD2 4.41Å; L941-F945 HydrophobicContact CG-CE2 4.29Å; P942-F945 HydrophobicContact CG-CD2 4.28Å; F945-A947 HydrophobicContact CE1-CB 4.02Å; F945-S955 VanDerWaalsContact CD2-CB 3.49Å
946	I	97.4	Very high	94	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118	175.2	-52.5	-176.9	0	0	0	108.7	T872 L875 L876 L914 V916 M944 S955 T958	T872-I946 HydrophobicContact CG2-CD1 3.82Å; L875-I946 HydrophobicContact CB-CD1 4.49Å; L875-I946 HydrophobicContact CB-CG2 4.43Å; L876-I946 HydrophobicContact CD2-CD1 3.9Å; L876-I946 HydrophobicContact CG-CD1 4.12Å; L914-I946 HydrophobicContact CD2-CG1 4.41Å; L914-I946 CarbonylContact O-C 3.55Å; L914-I946 VanDerWaalsContact O-CA 3.32Å; L914-I946 WeakPolarHBondContact O-CA 3.13Å; V916-I946 HydrophobicContact CG2-CG2 3.63Å; M944-I946 HydrophobicContact CG-CG1 4.29Å; M944-I946 HydrophobicContact SD-CD1 4.3Å; I946-S955 WeakPolarHBondContact CA-OG 3.3Å; I946-S955 PolarHBondContact N-OG 2.87Å; I946-S955 WeakPolarHBondContact O-CB 3.35Å; I946-S955 PolarHBondContact O-OG 2.7Å; I946-T958 HydrophobicContact CD1-CG2 3.96Å; I946-T958 HydrophobicContact CG1-CG2 4.17Å
947	A	97	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	149.9	171	0	0	0	0	0	111.2	L914 V915 V916 I930 F945 D951	L914-A947 PolarHBondContact O-N 3.29Å; V915-A947 HydrophobicContact CG2-CB 4.43Å; V916-A947 PolarHBondContact N-O 3.26Å; I930-A947 HydrophobicContact CD1-CB 4.14Å; I930-A947 HydrophobicContact CG2-CB 3.79Å; F945-A947 HydrophobicContact CE1-CB 4.02Å; A947-D951 WeakPolarHBondContact CA-O 3.4Å
948	T	95.8	Very high	94	Very high	7 Å²	7	44 Å²	44	4%	0.043	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-142.8	165.9	178.5	69.3	0	0	0	0	110.2	L875 K950 D951	L875-T948 HydrophobicContact CD2-CG2 4.31Å; T948-K950 PolarHBondContact O-N 3.06Å; T948-K950 PolarHBondContact OG1-N 3.36Å; T948-D951 PolarHBondContact N-O 3.09Å; T948-D951 CarbonylContact O-C 3.57Å; T948-D951 VanDerWaalsContact O-C 3.24Å; T948-D951 PolarHBondContact O-N 3.47Å; T948-D951 PolarHBondContact OG1-N 2.69Å
949	P	94.3	Very high	93.9	Very high	25 Å²	25	48.5 Å²	48.5	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.3	175.9	-25.3	32.4	0	0	0	116	V916 L918 Q921 L922	V916-P949 WeakPolarHBondContact O-CD 3.39Å; L918-P949 HydrophobicContact CB-CG 4.17Å; L918-P949 WeakPolarHBondContact O-CG 3.48Å; Q921-P949 HydrophobicContact CB-CB 3.7Å; Q921-P949 HydrophobicContact CB-CG 3.8Å; L922-P949 HydrophobicContact CD1-CG 4.44Å; L922-P949 HydrophobicContact CG-CB 4.44Å; L922-P949 HydrophobicContact CG-CG 4.15Å
950	K	91.1	Very high	93.8	Very high	140 Å²	140	46.8 Å²	46.8	61%	0.609	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.7	178.2	-63.4	-57.3	-176	-170.8	0	114.4	L833 T948	L833-K950 HydrophobicContact CD2-CG 3.9Å; T948-K950 PolarHBondContact O-N 3.06Å; T948-K950 PolarHBondContact OG1-N 3.36Å
951	D	93.3	Very high	93.8	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.091	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-153.1	104.7	173.9	169.1	33.3	0	0	0	109.3	A947 T948 K953 T954 S955 L956	A947-D951 WeakPolarHBondContact CA-O 3.4Å; T948-D951 PolarHBondContact N-O 3.09Å; T948-D951 CarbonylContact O-C 3.57Å; T948-D951 VanDerWaalsContact O-C 3.24Å; T948-D951 PolarHBondContact O-N 3.47Å; T948-D951 PolarHBondContact OG1-N 2.69Å; D951-K953 PolarHBondContact OD1-N 2.75Å; D951-T954 PolarHBondContact OD1-N 3.31Å; D951-T954 PolarHBondContact OD1-OG1 3.01Å; D951-T954 PolarHBondContact OD2-OG1 2.93Å; D951-S955 WeakPolarHBondContact OD2-CA 3.42Å; D951-S955 PolarHBondContact OD2-N 3.28Å; D951-L956 PolarHBondContact OD2-N 2.98Å
952	K	94.8	Very high	93.9	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.191	20%	0.198	C	C	.	.	S	Bend	trans	-93.9	-20.6	-180	-67.8	-176.2	175.7	-179.4	0	113.6	L922 E926 E929 I930	L922-K952 HydrophobicContact CD2-CG 4.5Å; E926-K952 WeakPolarHBondContact OE1-CE 3.5Å; E926-K952 IonicContact OE1-NZ 3.48Å; E926-K952 PolarHBondContact OE1-NZ 3.04Å; E929-K952 IonicContact OE2-NZ 3.91Å; E929-K952 PolarHBondContact OE2-NZ 3.1Å; I930-K952 HydrophobicContact CD1-CB 4.37Å; I930-K952 HydrophobicContact CD1-CD 4.5Å; I930-K952 HydrophobicContact CD1-CG 4.08Å; I930-K952 HydrophobicContact CG1-CB 3.89Å; I930-K952 HydrophobicContact CG1-CD 4.29Å; I930-K952 HydrophobicContact CG1-CG 4.05Å
953	K	92.2	Very high	93.8	Very high	99 Å²	99	44 Å²	44	43%	0.43	21%	0.21	S	C	.	.	S	Bend	trans	-128.7	-17.1	-158.2	-52.7	-170.6	-164.6	-71.4	0	114.8	E929 D933 L941 D951	E929-K953 IonicContact OE1-NZ 3.6Å; E929-K953 PolarHBondContact OE1-NZ 3.01Å; D933-K953 WeakPolarHBondContact OD2-CD 3.47Å; D933-K953 WeakPolarHBondContact OD2-CE 3.25Å; D933-K953 IonicContact OD2-NZ 2.72Å; D933-K953 PolarHBondContact OD2-NZ 2.99Å; L941-K953 WeakPolarHBondContact CD2-O 3.36Å; D951-K953 PolarHBondContact OD1-N 2.75Å
954	T	90.3	Very high	93.7	Very high	71 Å²	71	46.2 Å²	46.2	44%	0.436	22%	0.223	S	C	.	.	S	Bend	trans	-116.5	-23.3	-171.1	68.2	0	0	0	0	115.2	D951	D951-T954 PolarHBondContact OD1-N 3.31Å; D951-T954 PolarHBondContact OD1-OG1 3.01Å; D951-T954 PolarHBondContact OD2-OG1 2.93Å
955	S	93.4	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.258	C	S	.	.			trans	52.9	61.5	-172.4	-150.9	0	0	0	0	114.5	F945 I946 D951 W957 T958 R959	F945-S955 VanDerWaalsContact CD2-CB 3.49Å; I946-S955 WeakPolarHBondContact CA-OG 3.3Å; I946-S955 PolarHBondContact N-OG 2.87Å; I946-S955 WeakPolarHBondContact O-CB 3.35Å; I946-S955 PolarHBondContact O-OG 2.7Å; D951-S955 WeakPolarHBondContact OD2-CA 3.42Å; D951-S955 PolarHBondContact OD2-N 3.28Å; S955-W957 PolarHBondContact O-N 3.41Å; S955-T958 CarbonylContact O-C 3.59Å; S955-T958 PolarHBondContact O-N 3.27Å; S955-T958 PolarHBondContact OG-OG1 3.12Å; S955-R959 WeakPolarHBondContact O-CB 3.47Å; S955-R959 PolarHBondContact O-N 3.36Å
956	L	92.3	Very high	93.3	Very high	54 Å²	54	54.7 Å²	54.7	28%	0.283	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40	-41.8	179.1	-173.8	74.1	0	0	0	114.1	M826 H830 D951	M826-L956 HydrophobicContact CE-CD1 4.24Å; M826-L956 HydrophobicContact CE-CD2 3.7Å; M826-L956 HydrophobicContact CE-CG 3.62Å; H830-L956 HydrophobicContact CB-CD2 4.06Å; D951-L956 PolarHBondContact OD2-N 2.98Å
957	W	93.6	Very high	93.2	Very high	27 Å²	27	55 Å²	55	10%	0.102	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.8	-173.8	-55.4	101.2	0	0	0	114.8	M826 H830 K831 L834 D871 T872 L875 S955	M826-W957 HydrophobicContact CE-CD2 4.36Å; M826-W957 HydrophobicContact CE-CE3 3.87Å; M826-W957 HydrophobicContact CE-CH2 4.13Å; M826-W957 HydrophobicContact CE-CZ3 3.75Å; M826-W957 HydrophobicContact SD-CE3 4.15Å; M826-W957 HydrophobicContact SD-CH2 3.59Å; M826-W957 VanDerWaalsContact SD-CH2 3.59Å; M826-W957 HydrophobicContact SD-CZ2 4.46Å; M826-W957 HydrophobicContact SD-CZ3 3.4Å; M826-W957 WeakPolarHBondContact SD-CZ3 3.5Å; H830-W957 HydrophobicContact CB-CH2 4.06Å; H830-W957 HydrophobicContact CB-CZ2 4.04Å; K831-W957 HydrophobicContact CG-CH2 4.23Å; K831-W957 HydrophobicContact CG-CZ3 4.28Å; L834-W957 HydrophobicContact CB-CH2 4.14Å; L834-W957 HydrophobicContact CB-CZ2 4.17Å; L834-W957 HydrophobicContact CD2-CH2 3.64Å; L834-W957 HydrophobicContact CD2-CZ2 3.93Å; L834-W957 HydrophobicContact CD2-CZ3 3.95Å; L834-W957 HydrophobicContact CG-CH2 4.46Å; L834-W957 HydrophobicContact CG-CZ2 4.47Å; D871-W957 HydrophobicContact CB-CE3 3.57Å; D871-W957 HydrophobicContact CB-CH2 4.48Å; D871-W957 HydrophobicContact CB-CZ3 3.49Å; D871-W957 VanDerWaalsContact CB-CZ3 3.49Å; T872-W957 PolarHBondContact OG1-O 3.17Å; L875-W957 HydrophobicContact CD1-CB 4.06Å; L875-W957 HydrophobicContact CD1-CD2 3.98Å; L875-W957 HydrophobicContact CD1-CG 3.54Å; S955-W957 PolarHBondContact O-N 3.41Å
958	T	95.2	Very high	93.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	4.3	179.9	58.2	0	0	0	0	113.7	T872 P942 M944 I946 S955 R960 A961	T872-T958 HydrophobicContact CG2-CG2 3.48Å; T872-T958 VanDerWaalsContact CG2-CG2 3.48Å; P942-T958 VanDerWaalsContact CB-O 3.3Å; P942-T958 WeakPolarHBondContact CB-O 3.26Å; M944-T958 HydrophobicContact CB-CG2 4.32Å; M944-T958 HydrophobicContact CG-CG2 3.92Å; M944-T958 VanDerWaalsContact O-CB 3.31Å; M944-T958 WeakPolarHBondContact O-CB 3.49Å; M944-T958 PolarHBondContact O-OG1 3.08Å; M944-T958 HydrophobicContact SD-CG2 3.78Å; I946-T958 HydrophobicContact CD1-CG2 3.96Å; I946-T958 HydrophobicContact CG1-CG2 4.17Å; S955-T958 CarbonylContact O-C 3.59Å; S955-T958 PolarHBondContact O-N 3.27Å; S955-T958 PolarHBondContact OG-OG1 3.12Å; T958-R960 PolarHBondContact O-N 3.16Å; T958-A961 CarbonylContact C-O 3.57Å; T958-A961 WeakPolarHBondContact CA-O 3.29Å; T958-A961 WeakPolarHBondContact CB-O 3.31Å; T958-A961 PolarHBondContact O-N 3.21Å
959	R	91.4	Very high	93.1	Very high	144 Å²	144	62.7 Å²	62.7	54%	0.543	30%	0.298	S	S	.	.	S	Bend	trans	-55	-26.3	179	-174.8	176.7	177.6	-158	0	114.4	S955	S955-R959 WeakPolarHBondContact O-CB 3.47Å; S955-R959 PolarHBondContact O-N 3.36Å
960	R	88.6	Confident	93.2	Very high	169 Å²	169	61.5 Å²	61.5	64%	0.638	29%	0.29	S	S	*	.	S	Bend	trans	-100.3	-34.8	-178.6	-65.3	178.7	174.7	-131.3	-5.2	113.8	E819 T958	E819-R960 IonicContact OE1-CZ 3.69Å; E819-R960 IonicContact OE1-NH1 3.77Å; E819-R960 PolarHBondContact OE1-NH1 3.12Å; E819-R960 IonicContact OE1-NH2 3.29Å; E819-R960 PolarHBondContact OE1-NH2 3.13Å; T958-R960 PolarHBondContact O-N 3.16Å
961	A	92	Very high	93.5	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	27%	0.274	C	S	.	.			trans	-157.2	152.6	-171.9	0	0	0	0	0	109.5	D867 T958	D867-A961 CarbonylContact O-C 3.55Å; T958-A961 CarbonylContact C-O 3.57Å; T958-A961 WeakPolarHBondContact CA-O 3.29Å; T958-A961 WeakPolarHBondContact CB-O 3.31Å; T958-A961 PolarHBondContact O-N 3.21Å
962	P	95.4	Very high	93.7	Very high	8 Å²	8	61 Å²	61	5%	0.052	30%	0.296	C	S	.	.			cis	-74.2	167.5	5	29.7	-36.2	0	0	0	113.7	D867 V943 M944 L967	D867-P962 HydrophobicContact CB-CB 4.1Å; D867-P962 VanDerWaalsContact O-CD 3.29Å; D867-P962 WeakPolarHBondContact O-CD 3.03Å; D867-P962 VanDerWaalsContact O-N 3.11Å; V943-P962 HydrophobicContact CG2-CG 4.08Å; V943-P962 WeakPolarHBondContact CG2-O 3.38Å; M944-P962 HydrophobicContact CB-CG 4.03Å; P962-L967 HydrophobicContact CB-CB 4.14Å; P962-L967 HydrophobicContact CG-CB 3.91Å; P962-L967 HydrophobicContact CG-CD1 4.23Å; P962-L967 HydrophobicContact CG-CG 4.46Å
963	S	92.8	Very high	93.8	Very high	55 Å²	55	60 Å²	60	39%	0.385	29%	0.294	S	S	.	.			trans	-81.5	165.4	164.1	68.7	0	0	0	0	111.3	Q965 M966 L967	S963-Q965 VanDerWaalsContact C-N 3.26Å; S963-Q965 PolarHBondContact O-N 2.99Å; S963-M966 PolarHBondContact O-N 3.29Å; S963-M966 WeakPolarHBondContact OG-CG 3.41Å; S963-M966 PolarHBondContact OG-N 3.28Å; S963-L967 WeakPolarHBondContact O-CB 3.47Å; S963-L967 PolarHBondContact O-N 3.07Å
964	V	93.3	Very high	94.1	Very high	84 Å²	84	55.3 Å²	55.3	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-50.7	-48.5	175.4	-178.4	0	0	0	0	111.2	V943 Q968	V943-V964 HydrophobicContact CG1-CB 4.34Å; V943-V964 HydrophobicContact CG1-CG2 3.51Å; V964-Q968 WeakPolarHBondContact O-CB 3.42Å; V964-Q968 VanDerWaalsContact O-CG 3.29Å; V964-Q968 WeakPolarHBondContact O-CG 3.38Å; V964-Q968 PolarHBondContact O-N 2.8Å
965	Q	92.1	Very high	94.4	Very high	155 Å²	155	53.8 Å²	53.8	72%	0.724	27%	0.268	S	S	*	.	H	α-helix	trans	-68.8	-40.6	-174.7	-66.2	176.4	-36.6	0	0	111.8	S963 R969	S963-Q965 VanDerWaalsContact C-N 3.26Å; S963-Q965 PolarHBondContact O-N 2.99Å; Q965-R969 WeakPolarHBondContact O-CB 3.48Å; Q965-R969 PolarHBondContact O-N 3.13Å
966	M	93	Very high	94.6	Very high	24 Å²	24	58.2 Å²	58.2	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-34.3	178.8	-66.4	-57.5	-71.8	0	0	112.2	F864 D867 S963 R969 V970 F1072	F864-M966 HydrophobicContact CD1-CE 3.95Å; F864-M966 HydrophobicContact CE1-CE 4.03Å; D867-M966 HydrophobicContact CB-CB 4.38Å; D867-M966 WeakPolarHBondContact OD1-CB 3.46Å; D867-M966 VanDerWaalsContact OD1-CG 3.28Å; D867-M966 WeakPolarHBondContact OD1-CG 3.38Å; D867-M966 WeakPolarHBondContact OD2-CE 3.23Å; S963-M966 PolarHBondContact O-N 3.29Å; S963-M966 WeakPolarHBondContact OG-CG 3.41Å; S963-M966 PolarHBondContact OG-N 3.28Å; M966-R969 PolarHBondContact O-N 3.43Å; M966-V970 VanDerWaalsContact O-CG2 3.3Å; M966-V970 WeakPolarHBondContact O-CG2 3.5Å; M966-V970 PolarHBondContact O-N 3.37Å; M966-F1072 HydrophobicContact CE-CE1 3.87Å; M966-F1072 HydrophobicContact CE-CZ 4.27Å
967	L	95.8	Very high	94.8	Very high	8 Å²	8	56 Å²	56	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-47.6	170	180	56.5	0	0	0	110.9	W909 V943 M944 P962 S963 R969 V970 M971	W909-L967 HydrophobicContact CB-CD2 3.96Å; W909-L967 HydrophobicContact CG-CD2 4.03Å; V943-L967 HydrophobicContact CB-CD2 4.02Å; V943-L967 HydrophobicContact CG2-CB 4.17Å; V943-L967 HydrophobicContact CG2-CD2 3.79Å; M944-L967 HydrophobicContact CB-CD2 4.36Å; M944-L967 HydrophobicContact CE-CD1 3.9Å; P962-L967 HydrophobicContact CB-CB 4.14Å; P962-L967 HydrophobicContact CG-CB 3.91Å; P962-L967 HydrophobicContact CG-CD1 4.23Å; P962-L967 HydrophobicContact CG-CG 4.46Å; S963-L967 WeakPolarHBondContact O-CB 3.47Å; S963-L967 PolarHBondContact O-N 3.07Å; L967-R969 VanDerWaalsContact C-N 3.29Å; L967-R969 PolarHBondContact O-N 3.35Å; L967-V970 PolarHBondContact O-N 3.01Å; L967-V970 VanDerWaalsContact O-N 3.16Å; L967-M971 HydrophobicContact CD1-CG 4.25Å; L967-M971 HydrophobicContact CG-CG 4.43Å; L967-M971 HydrophobicContact CG-SD 4.22Å; L967-M971 VanDerWaalsContact O-CG 3.26Å; L967-M971 WeakPolarHBondContact O-CG 3.33Å; L967-M971 PolarHBondContact O-N 2.88Å
968	Q	95.6	Very high	94.9	Very high	113 Å²	113	55.4 Å²	55.4	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-55.8	-44.2	174.5	-75.8	172.4	-23.2	0	0	111.8	V964 M971 T972	V964-Q968 WeakPolarHBondContact O-CB 3.42Å; V964-Q968 VanDerWaalsContact O-CG 3.29Å; V964-Q968 WeakPolarHBondContact O-CG 3.38Å; V964-Q968 PolarHBondContact O-N 2.8Å; Q968-M971 PolarHBondContact O-N 3.4Å; Q968-T972 PolarHBondContact O-N 3.35Å; Q968-T972 PolarHBondContact O-OG1 3.46Å; Q968-T972 VanDerWaalsContact O-OG1 3.09Å
969	R	94.7	Very high	94.9	Very high	54 Å²	54	61.2 Å²	61.2	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-44	175.9	-171	-179.2	167.8	-163.4	-5.4	112.3	F864 Q965 M966 L967 T972 V973 Y1005	F864-R969 HydrophobicContact CE1-CB 4.39Å; F864-R969 HydrophobicContact CE1-CG 3.97Å; F864-R969 HydrophobicContact CZ-CG 4.01Å; Q965-R969 WeakPolarHBondContact O-CB 3.48Å; Q965-R969 PolarHBondContact O-N 3.13Å; M966-R969 PolarHBondContact O-N 3.43Å; L967-R969 VanDerWaalsContact C-N 3.29Å; L967-R969 PolarHBondContact O-N 3.35Å; R969-T972 PolarHBondContact O-N 2.74Å; R969-V973 HydrophobicContact CG-CG2 4.41Å; R969-V973 WeakPolarHBondContact O-CG2 3.32Å; R969-V973 PolarHBondContact O-N 3.01Å; R969-Y1005 PolarHBondContact NH1-OH 2.87Å; R969-Y1005 PolarHBondContact NH2-OH 3.49Å
970	V	96.7	Very high	95.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-46.3	174.4	170.1	0	0	0	0	110.7	F864 I868 L904 M966 L967 T972 V973 A974	F864-V970 HydrophobicContact CB-CG2 4.19Å; F864-V970 HydrophobicContact CD1-CG2 3.57Å; F864-V970 HydrophobicContact CD2-CG2 3.77Å; F864-V970 HydrophobicContact CE1-CG2 3.72Å; F864-V970 HydrophobicContact CE2-CB 4.49Å; F864-V970 HydrophobicContact CE2-CG2 3.91Å; F864-V970 HydrophobicContact CG-CG2 3.6Å; F864-V970 HydrophobicContact CZ-CG2 3.89Å; I868-V970 HydrophobicContact CD1-CG1 3.9Å; I868-V970 HydrophobicContact CD1-CG2 4.28Å; L904-V970 HydrophobicContact CB-CG1 4.41Å; L904-V970 HydrophobicContact CD1-CG1 3.83Å; L904-V970 HydrophobicContact CD2-CG1 4.03Å; L904-V970 HydrophobicContact CG-CG1 4.33Å; M966-V970 VanDerWaalsContact O-CG2 3.3Å; M966-V970 WeakPolarHBondContact O-CG2 3.5Å; M966-V970 PolarHBondContact O-N 3.37Å; L967-V970 PolarHBondContact O-N 3.01Å; L967-V970 VanDerWaalsContact O-N 3.16Å; V970-T972 PolarHBondContact O-N 3.2Å; V970-V973 PolarHBondContact O-N 3.5Å; V970-A974 WeakPolarHBondContact O-CB 3.46Å; V970-A974 PolarHBondContact O-N 2.67Å
971	M	97.5	Very high	95.3	Very high	55 Å²	55	48.9 Å²	48.9	27%	0.271	26%	0.261	S	S	.	.	H	α-helix	trans	-58.3	-46.9	178.2	-67	174.5	76.3	0	0	111.6	L904 L967 Q968 A975	L904-M971 WeakPolarHBondContact O-CG 3.26Å; L967-M971 HydrophobicContact CD1-CG 4.25Å; L967-M971 HydrophobicContact CG-CG 4.43Å; L967-M971 HydrophobicContact CG-SD 4.22Å; L967-M971 VanDerWaalsContact O-CG 3.26Å; L967-M971 WeakPolarHBondContact O-CG 3.33Å; L967-M971 PolarHBondContact O-N 2.88Å; Q968-M971 PolarHBondContact O-N 3.4Å; M971-A975 WeakPolarHBondContact O-CB 3.07Å; M971-A975 PolarHBondContact O-N 3.49Å
972	T	96.6	Very high	95.3	Very high	91 Å²	91	49.4 Å²	49.4	56%	0.558	26%	0.26	S	S	*	.	H	α-helix	trans	-65	-47.2	178.6	-54	0	0	0	0	112.2	Q968 R969 V970 A974 A975 E976	Q968-T972 PolarHBondContact O-N 3.35Å; Q968-T972 PolarHBondContact O-OG1 3.46Å; Q968-T972 VanDerWaalsContact O-OG1 3.09Å; R969-T972 PolarHBondContact O-N 2.74Å; V970-T972 PolarHBondContact O-N 3.2Å; T972-A974 VanDerWaalsContact C-N 3.33Å; T972-A974 PolarHBondContact O-N 2.96Å; T972-A975 PolarHBondContact O-N 3.48Å; T972-E976 PolarHBondContact O-N 3.44Å; T972-E976 VanDerWaalsContact O-N 3.11Å
973	V	96.8	Very high	95.1	Very high	25 Å²	25	55.1 Å²	55.1	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-34.2	-179.6	178.7	0	0	0	0	111	W858 Q862 F864 R969 V970 S977	W858-V973 HydrophobicContact CZ2-CG1 3.93Å; Q862-V973 HydrophobicContact CB-CG1 4.45Å; Q862-V973 HydrophobicContact CG-CG1 3.98Å; F864-V973 HydrophobicContact CE2-CB 4.13Å; F864-V973 HydrophobicContact CE2-CG1 4.19Å; F864-V973 HydrophobicContact CE2-CG2 4.49Å; F864-V973 HydrophobicContact CZ-CB 4.19Å; F864-V973 HydrophobicContact CZ-CG2 4.09Å; R969-V973 HydrophobicContact CG-CG2 4.41Å; R969-V973 WeakPolarHBondContact O-CG2 3.32Å; R969-V973 PolarHBondContact O-N 3.01Å; V970-V973 PolarHBondContact O-N 3.5Å; V973-S977 WeakPolarHBondContact O-CB 3.39Å; V973-S977 PolarHBondContact O-N 2.97Å; V973-S977 PolarHBondContact O-OG 3.41Å
974	A	98.1	Very high	95	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-41.3	172.6	0	0	0	0	0	112.5	W858 L901 L904 V970 T972 S977 L978	W858-A974 HydrophobicContact CH2-CB 3.75Å; W858-A974 HydrophobicContact CZ2-CB 4.18Å; L901-A974 HydrophobicContact CD2-CB 4.4Å; L904-A974 HydrophobicContact CB-CB 3.78Å; L904-A974 HydrophobicContact CD1-CB 4.3Å; V970-A974 WeakPolarHBondContact O-CB 3.46Å; V970-A974 PolarHBondContact O-N 2.67Å; T972-A974 VanDerWaalsContact C-N 3.33Å; T972-A974 PolarHBondContact O-N 2.96Å; A974-S977 PolarHBondContact O-N 3.13Å; A974-L978 VanDerWaalsContact O-CB 3.31Å; A974-L978 WeakPolarHBondContact O-CB 3.5Å; A974-L978 PolarHBondContact O-N 2.69Å
975	A	97.6	Very high	94.8	Very high	39 Å²	39	49.1 Å²	49.1	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-48.8	179.1	0	0	0	0	0	111.9	M971 T972 L978 K979	M971-A975 WeakPolarHBondContact O-CB 3.07Å; M971-A975 PolarHBondContact O-N 3.49Å; T972-A975 PolarHBondContact O-N 3.48Å; A975-L978 PolarHBondContact O-N 3.29Å; A975-K979 VanDerWaalsContact O-CB 3.31Å; A975-K979 WeakPolarHBondContact O-CB 3.45Å; A975-K979 PolarHBondContact O-N 3.4Å
976	E	96.8	Very high	94.7	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-71.1	-35.8	177.6	-69.3	-63.7	136.5	0	0	111.8	T972 L978 K979 V980	T972-E976 PolarHBondContact O-N 3.44Å; T972-E976 VanDerWaalsContact O-N 3.11Å; E976-L978 PolarHBondContact O-N 3.14Å; E976-K979 PolarHBondContact O-N 2.72Å; E976-K979 IonicContact OE1-NZ 2.64Å; E976-K979 PolarHBondContact OE1-NZ 3.12Å; E976-K979 IonicContact OE2-NZ 3.88Å; E976-K979 PolarHBondContact OE2-NZ 3.22Å; E976-V980 WeakPolarHBondContact O-CB 3.44Å; E976-V980 VanDerWaalsContact O-CG2 3.3Å; E976-V980 WeakPolarHBondContact O-CG2 3.43Å; E976-V980 PolarHBondContact O-N 2.74Å
977	S	97	Very high	94.3	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-44	172.2	-65.7	0	0	0	0	112.1	W858 V973 A974 L981	W858-S977 PolarHBondContact NE1-OG 3.18Å; V973-S977 WeakPolarHBondContact O-CB 3.39Å; V973-S977 PolarHBondContact O-N 2.97Å; V973-S977 PolarHBondContact O-OG 3.41Å; A974-S977 PolarHBondContact O-N 3.13Å; S977-L981 VanDerWaalsContact O-CB 3.23Å; S977-L981 WeakPolarHBondContact O-CB 3.28Å; S977-L981 PolarHBondContact O-N 3.21Å
978	L	96.7	Very high	93	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-50.3	177.7	-178.6	62.4	0	0	0	111.1	L898 L901 R902 A974 A975 E976 V980 L981 E982	L898-L978 HydrophobicContact CB-CD1 4.28Å; L898-L978 HydrophobicContact CD2-CD1 3.65Å; L898-L978 WeakPolarHBondContact O-CD1 3.46Å; L901-L978 HydrophobicContact CB-CB 4.09Å; L901-L978 HydrophobicContact CB-CD1 4.26Å; L901-L978 HydrophobicContact CD1-CB 4.48Å; R902-L978 HydrophobicContact CB-CD2 3.85Å; R902-L978 HydrophobicContact CG-CD2 4.2Å; A974-L978 VanDerWaalsContact O-CB 3.31Å; A974-L978 WeakPolarHBondContact O-CB 3.5Å; A974-L978 PolarHBondContact O-N 2.69Å; A975-L978 PolarHBondContact O-N 3.29Å; E976-L978 PolarHBondContact O-N 3.14Å; L978-V980 PolarHBondContact O-N 3.41Å; L978-L981 PolarHBondContact O-N 3.31Å; L978-E982 HydrophobicContact CD1-CG 3.95Å; L978-E982 WeakPolarHBondContact CD1-OE1 3.31Å; L978-E982 HydrophobicContact CG-CG 4.42Å; L978-E982 WeakPolarHBondContact O-CB 3.19Å; L978-E982 WeakPolarHBondContact O-CG 3.24Å; L978-E982 PolarHBondContact O-N 2.89Å
979	K	95.1	Very high	91.8	Very high	124 Å²	124	44.7 Å²	44.7	54%	0.539	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-43.3	179.1	171.5	-178.1	162.1	-147.8	0	112.9	A975 E976 H983	A975-K979 VanDerWaalsContact O-CB 3.31Å; A975-K979 WeakPolarHBondContact O-CB 3.45Å; A975-K979 PolarHBondContact O-N 3.4Å; E976-K979 PolarHBondContact O-N 2.72Å; E976-K979 IonicContact OE1-NZ 2.64Å; E976-K979 PolarHBondContact OE1-NZ 3.12Å; E976-K979 IonicContact OE2-NZ 3.88Å; E976-K979 PolarHBondContact OE2-NZ 3.22Å; K979-H983 PolarHBondContact O-N 3.26Å
980	V	94.6	Very high	90.4	Very high	55 Å²	55	49.1 Å²	49.1	33%	0.333	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-50.2	174.9	170.7	0	0	0	0	110.5	E976 L978 E982 H983 Q984 V996 I997	E976-V980 WeakPolarHBondContact O-CB 3.44Å; E976-V980 VanDerWaalsContact O-CG2 3.3Å; E976-V980 WeakPolarHBondContact O-CG2 3.43Å; E976-V980 PolarHBondContact O-N 2.74Å; L978-V980 PolarHBondContact O-N 3.41Å; V980-E982 PolarHBondContact O-N 3.5Å; V980-H983 PolarHBondContact O-N 2.91Å; V980-Q984 HydrophobicContact CG1-CG 4.22Å; V980-Q984 WeakPolarHBondContact O-CG 3.37Å; V980-Q984 PolarHBondContact O-N 2.91Å; V980-V996 HydrophobicContact CG1-CG1 3.9Å; V980-I997 HydrophobicContact CB-CG2 4.3Å; V980-I997 HydrophobicContact CG1-CG2 4.07Å
981	L	93.5	Very high	88.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-44.7	-176.5	-176.1	62.4	0	0	0	112.3	V638 F897 L898 S977 L978 H983 Q984 L985 V994 I997	V638-L981 HydrophobicContact CG2-CD1 4.22Å; V638-L981 HydrophobicContact CG2-CD2 4.28Å; F897-L981 HydrophobicContact CD1-CD2 4.11Å; F897-L981 HydrophobicContact CE1-CD2 4Å; L898-L981 HydrophobicContact CD2-CD2 3.68Å; L898-L981 HydrophobicContact CD2-CG 4.12Å; L898-L981 HydrophobicContact CG-CD2 4.38Å; S977-L981 VanDerWaalsContact O-CB 3.23Å; S977-L981 WeakPolarHBondContact O-CB 3.28Å; S977-L981 PolarHBondContact O-N 3.21Å; L978-L981 PolarHBondContact O-N 3.31Å; L981-H983 VanDerWaalsContact C-N 3.28Å; L981-H983 PolarHBondContact O-N 2.92Å; L981-Q984 PolarHBondContact O-N 2.69Å; L981-L985 HydrophobicContact CD1-CD1 3.93Å; L981-L985 HydrophobicContact CD1-CD2 4.07Å; L981-L985 HydrophobicContact CD1-CG 3.75Å; L981-L985 HydrophobicContact CD2-CD1 4.22Å; L981-L985 HydrophobicContact CG-CD1 3.7Å; L981-L985 HydrophobicContact CG-CG 3.98Å; L981-L985 WeakPolarHBondContact O-CB 3.15Å; L981-L985 VanDerWaalsContact O-CG 3.24Å; L981-L985 WeakPolarHBondContact O-CG 3.25Å; L981-L985 PolarHBondContact O-N 3.2Å; L981-V994 HydrophobicContact CD1-CB 4.15Å; L981-V994 HydrophobicContact CD1-CG1 4.11Å; L981-I997 HydrophobicContact CB-CD1 4.05Å; L981-I997 HydrophobicContact CB-CG2 4.29Å; L981-I997 HydrophobicContact CD1-CD1 4.02Å; L981-I997 HydrophobicContact CD2-CD1 3.67Å; L981-I997 HydrophobicContact CG-CD1 4.1Å
982	E	92.7	Very high	87.8	Confident	33 Å²	33	57 Å²	57	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-38.5	179.1	-72.1	-176	157.5	0	0	112	I464 R465 L898 L978 V980 M986	I464-E982 HydrophobicContact CG2-CB 4.32Å; I464-E982 HydrophobicContact CG2-CG 3.9Å; R465-E982 WeakPolarHBondContact CD-OE1 3.24Å; R465-E982 WeakPolarHBondContact CG-OE1 3.27Å; R465-E982 IonicContact CZ-OE1 2.71Å; R465-E982 IonicContact CZ-OE2 3.44Å; R465-E982 IonicContact NE-OE1 2.74Å; R465-E982 IonicContact NH1-OE1 3.71Å; R465-E982 PolarHBondContact NH1-OE1 2.91Å; R465-E982 IonicContact NH1-OE2 3.66Å; R465-E982 PolarHBondContact NH1-OE2 3.31Å; L898-E982 HydrophobicContact CD2-CG 3.74Å; L978-E982 HydrophobicContact CD1-CG 3.95Å; L978-E982 WeakPolarHBondContact CD1-OE1 3.31Å; L978-E982 HydrophobicContact CG-CG 4.42Å; L978-E982 WeakPolarHBondContact O-CB 3.19Å; L978-E982 WeakPolarHBondContact O-CG 3.24Å; L978-E982 PolarHBondContact O-N 2.89Å; V980-E982 PolarHBondContact O-N 3.5Å; E982-M986 WeakPolarHBondContact O-CB 3.08Å; E982-M986 WeakPolarHBondContact O-CG 3.43Å; E982-M986 PolarHBondContact O-N 3.4Å
983	H	90.9	Very high	87.4	Confident	128 Å²	128	55.9 Å²	55.9	59%	0.593	29%	0.293	S	S	*	.	H	α-helix	trans	-66	-47.5	172.9	-172.7	63.8	0	0	0	111.8	K979 V980 L981 L985 M986 D987	K979-H983 PolarHBondContact O-N 3.26Å; V980-H983 PolarHBondContact O-N 2.91Å; L981-H983 VanDerWaalsContact C-N 3.28Å; L981-H983 PolarHBondContact O-N 2.92Å; H983-L985 PolarHBondContact O-N 3.12Å; H983-M986 PolarHBondContact O-N 3.29Å; H983-D987 VanDerWaalsContact O-CB 3.26Å; H983-D987 WeakPolarHBondContact O-CB 3.29Å; H983-D987 PolarHBondContact O-N 3.15Å
984	Q	90.6	Very high	86.9	Confident	14 Å²	14	55.7 Å²	55.7	7%	0.065	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-38.7	179.7	-73.3	-171	-41.1	0	0	113.7	R632 V980 L981 Q992 D993	R632-Q984 PolarHBondContact NH2-O 2.64Å; V980-Q984 HydrophobicContact CG1-CG 4.22Å; V980-Q984 WeakPolarHBondContact O-CG 3.37Å; V980-Q984 PolarHBondContact O-N 2.91Å; L981-Q984 PolarHBondContact O-N 2.69Å; Q984-Q992 HydrophobicContact CB-CB 4.4Å; Q984-Q992 HydrophobicContact CG-CB 4.02Å; Q984-Q992 HydrophobicContact CG-CG 4.49Å; Q984-D993 PolarHBondContact NE2-O 3.04Å
985	L	89.6	Confident	86.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-40.2	179.5	-70.7	178.3	0	0	0	111.4	I464 R632 V634 M637 Q894 L898 L981 H983 V994	I464-L985 HydrophobicContact CD1-CB 4.31Å; I464-L985 HydrophobicContact CD1-CD1 4.33Å; I464-L985 HydrophobicContact CG1-CB 4.33Å; I464-L985 HydrophobicContact CG1-CD1 4.14Å; R632-L985 PolarHBondContact NH2-O 2.97Å; R632-L985 VanDerWaalsContact NH2-O 3.11Å; V634-L985 HydrophobicContact CG1-CB 3.71Å; V634-L985 HydrophobicContact CG1-CD1 4.45Å; V634-L985 HydrophobicContact CG1-CD2 3.68Å; V634-L985 HydrophobicContact CG1-CG 4.12Å; M637-L985 HydrophobicContact CB-CD2 3.98Å; M637-L985 HydrophobicContact CG-CD2 4.49Å; M637-L985 HydrophobicContact SD-CD2 3.97Å; Q894-L985 HydrophobicContact CG-CD1 4.15Å; L898-L985 HydrophobicContact CD1-CD1 4.13Å; L898-L985 HydrophobicContact CD2-CD1 4.43Å; L981-L985 HydrophobicContact CD1-CD1 3.93Å; L981-L985 HydrophobicContact CD1-CD2 4.07Å; L981-L985 HydrophobicContact CD1-CG 3.75Å; L981-L985 HydrophobicContact CD2-CD1 4.22Å; L981-L985 HydrophobicContact CG-CD1 3.7Å; L981-L985 HydrophobicContact CG-CG 3.98Å; L981-L985 WeakPolarHBondContact O-CB 3.15Å; L981-L985 VanDerWaalsContact O-CG 3.24Å; L981-L985 WeakPolarHBondContact O-CG 3.25Å; L981-L985 PolarHBondContact O-N 3.2Å; H983-L985 PolarHBondContact O-N 3.12Å; L985-V994 HydrophobicContact CD2-CG1 4.38Å
986	M	88.4	Confident	86.4	Confident	60 Å²	60	60.3 Å²	60.3	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-87.8	-22.6	-177.6	-64.6	-59.2	-65.6	0	0	114.7	I464 V470 Q472 E982 H983 G988	I464-M986 HydrophobicContact CB-CG 4.23Å; I464-M986 HydrophobicContact CB-SD 3.97Å; I464-M986 HydrophobicContact CD1-SD 3.99Å; I464-M986 HydrophobicContact CG1-CG 4.41Å; I464-M986 HydrophobicContact CG1-SD 4.18Å; V470-M986 HydrophobicContact CG1-SD 4.33Å; Q472-M986 PolarHBondContact NE2-O 2.92Å; E982-M986 WeakPolarHBondContact O-CB 3.08Å; E982-M986 WeakPolarHBondContact O-CG 3.43Å; E982-M986 PolarHBondContact O-N 3.4Å; H983-M986 PolarHBondContact O-N 3.29Å; M986-G988 PolarHBondContact O-N 2.86Å; M986-G988 VanDerWaalsContact O-N 3.11Å
987	D	84.5	Confident	86.3	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.193	29%	0.289	C	S	.	.			trans	-70.7	101.9	174.4	172.7	32.7	0	0	0	111.5	R632 H983 S989 Q992	R632-D987 PolarHBondContact NH1-O 2.89Å; R632-D987 PolarHBondContact NH2-O 3.33Å; H983-D987 VanDerWaalsContact O-CB 3.26Å; H983-D987 WeakPolarHBondContact O-CB 3.29Å; H983-D987 PolarHBondContact O-N 3.15Å; D987-S989 VanDerWaalsContact CG-OG 3.25Å; D987-S989 PolarHBondContact O-N 2.84Å; D987-S989 WeakPolarHBondContact OD1-CB 3.42Å; D987-S989 PolarHBondContact OD1-N 2.9Å; D987-S989 PolarHBondContact OD1-OG 3.38Å; D987-S989 PolarHBondContact OD2-OG 3.29Å; D987-Q992 PolarHBondContact OD2-NE2 2.83Å
988	G	69.6	Low	86.1	Confident	20 Å²	20	55.9 Å²	55.9	21%	0.206	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.7	175.3	0	0	0	0	0	115.5	M986	M986-G988 PolarHBondContact O-N 2.86Å; M986-G988 VanDerWaalsContact O-N 3.11Å
989	S	70.9	Confident	86	Confident	90 Å²	90	59.2 Å²	59.2	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-41.2	-172.7	78.6	0	0	0	0	113.6	D987	D987-S989 VanDerWaalsContact CG-OG 3.25Å; D987-S989 PolarHBondContact O-N 2.84Å; D987-S989 WeakPolarHBondContact OD1-CB 3.42Å; D987-S989 PolarHBondContact OD1-N 2.9Å; D987-S989 PolarHBondContact OD1-OG 3.38Å; D987-S989 PolarHBondContact OD2-OG 3.29Å
990	Q	64	Low	85.8	Confident	147 Å²	147	54.8 Å²	54.8	69%	0.687	28%	0.282	S	S	*	.	S	Bend	trans	-146.8	162.1	176.4	-62.9	-169	2	0	0	110.3	R632 Q992	R632-Q990 PolarHBondContact NH1-O 3Å; Q990-Q992 PolarHBondContact O-N 2.76Å
991	M	63.9	Low	85.6	Confident	148 Å²	148	55.4 Å²	55.4	73%	0.729	29%	0.287	S	S	*	.			trans	-81.6	107.2	164.7	-65.3	-162.3	102.9	0	0	108.4	M637	M637-M991 HydrophobicContact CE-CE 3.51Å
992	Q	76.2	Confident	85.4	Confident	74 Å²	74	57.9 Å²	57.9	35%	0.346	30%	0.3	S	S	.	.			trans	-85.8	154.2	177.8	-53.4	-163.2	27.1	0	0	110.8	Q984 D987 Q990 V994	Q984-Q992 HydrophobicContact CB-CB 4.4Å; Q984-Q992 HydrophobicContact CG-CB 4.02Å; Q984-Q992 HydrophobicContact CG-CG 4.49Å; D987-Q992 PolarHBondContact OD2-NE2 2.83Å; Q990-Q992 PolarHBondContact O-N 2.76Å; Q992-V994 PolarHBondContact O-N 2.75Å
993	D	87.1	Confident	85.2	Confident	67 Å²	67	62.6 Å²	62.6	36%	0.358	33%	0.327	S	S	.	.			trans	-75.1	96.4	177	178.9	18.1	0	0	0	111.3	Q984 R995 V996 R999	Q984-D993 PolarHBondContact NE2-O 3.04Å; D993-R995 PolarHBondContact O-N 3.43Å; D993-R995 VanDerWaalsContact OD1-CB 3.28Å; D993-R995 WeakPolarHBondContact OD1-CB 3.44Å; D993-R995 WeakPolarHBondContact OD1-CG 3.29Å; D993-R995 PolarHBondContact OD1-N 3.38Å; D993-V996 WeakPolarHBondContact O-CB 3.48Å; D993-V996 WeakPolarHBondContact O-CG1 3.4Å; D993-V996 PolarHBondContact O-N 2.86Å; D993-R999 IonicContact OD2-CZ 3.39Å; D993-R999 IonicContact OD2-NH1 2.77Å; D993-R999 PolarHBondContact OD2-NH1 2.95Å; D993-R999 IonicContact OD2-NH2 2.68Å; D993-R999 PolarHBondContact OD2-NH2 3.42Å
994	V	87.3	Confident	85	Confident	21 Å²	21	59.1 Å²	59.1	13%	0.127	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-65.3	-13.5	177.6	-61.7	0	0	0	0	113.5	M637 L981 L985 Q992 V996	M637-V994 WeakPolarHBondContact O-CG2 3.33Å; L981-V994 HydrophobicContact CD1-CB 4.15Å; L981-V994 HydrophobicContact CD1-CG1 4.11Å; L985-V994 HydrophobicContact CD2-CG1 4.38Å; Q992-V994 PolarHBondContact O-N 2.75Å; V994-V996 PolarHBondContact O-N 3.31Å
995	R	91.4	Very high	85.1	Confident	74 Å²	74	58.5 Å²	58.5	28%	0.279	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-70.3	-10.1	174	-54.8	-165.5	-167.1	99.3	-3.6	112.6	D640 V641 D993 I997 M998 V1023	D640-R995 IonicContact OD1-NH2 2.94Å; D640-R995 PolarHBondContact OD1-NH2 3.45Å; D640-R995 IonicContact OD2-CZ 2.68Å; D640-R995 IonicContact OD2-NE 2.73Å; D640-R995 PolarHBondContact OD2-NE 2.86Å; D640-R995 IonicContact OD2-NH2 4Å; D640-R995 PolarHBondContact OD2-NH2 3.12Å; V641-R995 HydrophobicContact CG1-CG 4Å; D993-R995 PolarHBondContact O-N 3.43Å; D993-R995 VanDerWaalsContact OD1-CB 3.28Å; D993-R995 WeakPolarHBondContact OD1-CB 3.44Å; D993-R995 WeakPolarHBondContact OD1-CG 3.29Å; D993-R995 PolarHBondContact OD1-N 3.38Å; R995-I997 PolarHBondContact O-N 2.96Å; R995-M998 WeakPolarHBondContact O-CA 3.39Å; R995-M998 WeakPolarHBondContact O-CB 3.45Å; R995-M998 PolarHBondContact O-N 2.84Å; R995-V1023 HydrophobicContact CB-CG1 4.07Å; R995-V1023 WeakPolarHBondContact CD-O 3.09Å
996	V	92.8	Very high	85.3	Confident	61 Å²	61	58.7 Å²	58.7	37%	0.37	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-53.5	-38.2	177.2	70.5	0	0	0	0	112.8	V980 D993 V994 M998 R999	V980-V996 HydrophobicContact CG1-CG1 3.9Å; D993-V996 WeakPolarHBondContact O-CB 3.48Å; D993-V996 WeakPolarHBondContact O-CG1 3.4Å; D993-V996 PolarHBondContact O-N 2.86Å; V994-V996 PolarHBondContact O-N 3.31Å; V996-M998 PolarHBondContact O-N 3.49Å; V996-R999 PolarHBondContact O-N 3.38Å; V996-R999 VanDerWaalsContact O-N 3.13Å
997	I	94.8	Very high	85.7	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-71.3	-11.6	178.8	73.5	-176.4	0	0	0	113.7	W858 Q862 F897 V980 L981 R995	W858-I997 VanDerWaalsContact CD1-O 3.25Å; W858-I997 PolarHBondContact NE1-O 3.2Å; W858-I997 VanDerWaalsContact NE1-O 3.09Å; Q862-I997 PolarHBondContact NE2-O 2.85Å; F897-I997 HydrophobicContact CE1-CD1 3.82Å; F897-I997 HydrophobicContact CZ-CD1 4.33Å; V980-I997 HydrophobicContact CB-CG2 4.3Å; V980-I997 HydrophobicContact CG1-CG2 4.07Å; L981-I997 HydrophobicContact CB-CD1 4.05Å; L981-I997 HydrophobicContact CB-CG2 4.29Å; L981-I997 HydrophobicContact CD1-CD1 4.02Å; L981-I997 HydrophobicContact CD2-CD1 3.67Å; L981-I997 HydrophobicContact CG-CD1 4.1Å; R995-I997 PolarHBondContact O-N 2.96Å
998	M	94.7	Very high	86.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-93.7	-11.9	176.1	-55.8	-70.9	171	0	0	111.2	V638 V641 W858 A861 F897 R995 V996 V1023	V638-M998 HydrophobicContact CG1-CE 4.05Å; V641-M998 HydrophobicContact CG1-CG 4.33Å; V641-M998 HydrophobicContact CG2-CE 3.83Å; V641-M998 HydrophobicContact CG2-SD 4.42Å; W858-M998 VanDerWaalsContact CA-SD 3.59Å; W858-M998 HydrophobicContact CB-CE 4.14Å; W858-M998 HydrophobicContact CB-SD 3.7Å; W858-M998 HydrophobicContact CG-SD 4.15Å; A861-M998 CarbonylContact C-O 3.59Å; A861-M998 HydrophobicContact CB-CB 4.16Å; A861-M998 WeakPolarHBondContact CB-O 3.37Å; F897-M998 HydrophobicContact CE1-CE 4.04Å; F897-M998 HydrophobicContact CZ-CE 3.73Å; R995-M998 WeakPolarHBondContact O-CA 3.39Å; R995-M998 WeakPolarHBondContact O-CB 3.45Å; R995-M998 PolarHBondContact O-N 2.84Å; V996-M998 PolarHBondContact O-N 3.49Å; M998-V1023 HydrophobicContact CB-CG1 3.72Å; M998-V1023 HydrophobicContact CB-CG2 3.93Å
999	R	93.4	Very high	87.6	Confident	84 Å²	84	53.2 Å²	53.2	32%	0.317	29%	0.285	S	S	.	.	S	Bend	trans	-88.1	124.6	-179.8	-61.1	-174	-173.5	106.1	5.6	110.4	Q862 D993 V996 V1023 D1024	Q862-R999 PolarHBondContact NE2-O 3.11Å; D993-R999 IonicContact OD2-CZ 3.39Å; D993-R999 IonicContact OD2-NH1 2.77Å; D993-R999 PolarHBondContact OD2-NH1 2.95Å; D993-R999 IonicContact OD2-NH2 2.68Å; D993-R999 PolarHBondContact OD2-NH2 3.42Å; V996-R999 PolarHBondContact O-N 3.38Å; V996-R999 VanDerWaalsContact O-N 3.13Å; R999-V1023 HydrophobicContact CG-CG1 4.45Å; R999-D1024 IonicContact CZ-OD1 3.8Å; R999-D1024 IonicContact CZ-OD2 2.88Å; R999-D1024 IonicContact NE-OD1 3.47Å; R999-D1024 PolarHBondContact NE-OD1 3.38Å; R999-D1024 IonicContact NE-OD2 3.46Å; R999-D1024 PolarHBondContact NE-OD2 2.98Å; R999-D1024 IonicContact NH2-OD1 3.34Å; R999-D1024 PolarHBondContact NH2-OD1 3Å; R999-D1024 IonicContact NH2-OD2 2.81Å
1000	P	91.8	Very high	88.9	Confident	31 Å²	31	51.7 Å²	51.7	20%	0.201	27%	0.266	C	S	.	.			trans	-76.9	144.7	177.2	30.8	-33	0	0	0	111.1	A861 L863 L1002	A861-P1000 VanDerWaalsContact O-CD 3.32Å; A861-P1000 WeakPolarHBondContact O-CD 3.42Å; A861-P1000 WeakPolarHBondContact O-CG 3.47Å; L863-P1000 HydrophobicContact CD1-CB 3.91Å; L863-P1000 HydrophobicContact CD1-CG 3.92Å; L863-P1000 HydrophobicContact CG-CB 4.1Å; L863-P1000 HydrophobicContact CG-CG 4.09Å; P1000-L1002 HydrophobicContact CG-CD2 3.97Å; P1000-L1002 PolarHBondContact O-N 3.47Å
1001	P	89.1	Confident	90.5	Very high	68 Å²	68	44.9 Å²	44.9	44%	0.442	23%	0.234	S	C	.	.			trans	-71	97.6	173.3	28.4	-33.5	0	0	0	110.3	D1003	P1001-D1003 VanDerWaalsContact C-N 3.26Å; P1001-D1003 PolarHBondContact O-N 3.47Å
1002	L	90.3	Very high	91.9	Very high	51 Å²	51	40 Å²	40	27%	0.267	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-71.2	-15.8	-174.9	-64.4	-177.4	0	0	0	114.2	P1000 A1004 Y1005 L1008	P1000-L1002 HydrophobicContact CG-CD2 3.97Å; P1000-L1002 PolarHBondContact O-N 3.47Å; L1002-A1004 PolarHBondContact O-N 3.13Å; L1002-Y1005 PolarHBondContact O-N 2.78Å; L1002-L1008 HydrophobicContact CB-CD1 4.32Å; L1002-L1008 HydrophobicContact CD1-CD1 4.23Å; L1002-L1008 HydrophobicContact CD2-CD2 4.45Å
1003	D	88	Confident	92.7	Very high	133 Å²	133	38.4 Å²	38.4	71%	0.711	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-74.4	-8.4	-178.3	-48	-46.1	0	0	0	113.2	P1001 Y1005 R1139	P1001-D1003 VanDerWaalsContact C-N 3.26Å; P1001-D1003 PolarHBondContact O-N 3.47Å; D1003-Y1005 VanDerWaalsContact C-N 3.32Å; D1003-R1139 IonicContact OD1-CZ 3.77Å; D1003-R1139 IonicContact OD1-NH1 2.69Å; D1003-R1139 PolarHBondContact OD1-NH1 2.86Å
1004	A	86.3	Confident	93	Very high	54 Å²	54	40.2 Å²	40.2	45%	0.446	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-78.9	-13.1	172.4	0	0	0	0	0	113.7	L1002 L1084	L1002-A1004 PolarHBondContact O-N 3.13Å; A1004-L1084 WeakPolarHBondContact O-CD1 3.45Å
1005	Y	92.5	Very high	93.3	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.218	C	C	.	.			trans	-98.7	149.2	-173.4	-67.4	-88.5	0	0	0	112.4	L863 R969 L1002 D1003 F1072 L1084	L863-Y1005 HydrophobicContact CD1-CE2 4.1Å; L863-Y1005 WeakPolarHBondContact CD1-OH 3.44Å; R969-Y1005 PolarHBondContact NH1-OH 2.87Å; R969-Y1005 PolarHBondContact NH2-OH 3.49Å; L1002-Y1005 PolarHBondContact O-N 2.78Å; D1003-Y1005 VanDerWaalsContact C-N 3.32Å; Y1005-F1072 HydrophobicContact CD1-CD2 4.38Å; Y1005-F1072 HydrophobicContact CE1-CB 4.49Å; Y1005-F1072 AromaticContact CE1-CD2 3.51Å; Y1005-F1072 HydrophobicContact CE1-CD2 3.51Å; Y1005-F1072 AromaticContact CE1-CE2 3.85Å; Y1005-F1072 HydrophobicContact CE1-CE2 3.85Å; Y1005-F1072 HydrophobicContact CE1-CG 4.14Å; Y1005-L1084 HydrophobicContact CD1-CB 4.13Å; Y1005-L1084 HydrophobicContact CE1-CB 4.49Å
1006	D	94.7	Very high	93.5	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	21%	0.206	C	C	.	.	S	Bend	trans	-89	-28.9	-173.1	-62.2	-52.8	0	0	0	113.1	V1083 W1085 R1139 T1140 K1142 W1143	D1006-V1083 PolarHBondContact N-O 2.95Å; D1006-W1085 HydrophobicContact CB-CG 4.23Å; D1006-W1085 PolarHBondContact OD2-N 2.97Å; D1006-R1139 PolarHBondContact O-N 3.15Å; D1006-T1140 WeakPolarHBondContact OD1-CG2 3.39Å; D1006-T1140 PolarHBondContact OD1-OG1 3.22Å; D1006-K1142 WeakPolarHBondContact OD1-CD 3.43Å; D1006-K1142 WeakPolarHBondContact OD1-CE 3.18Å; D1006-K1142 IonicContact OD1-NZ 3.51Å; D1006-K1142 PolarHBondContact OD1-NZ 3.32Å; D1006-W1143 HydrophobicContact CB-CZ3 4.34Å
1007	V	96.3	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.7	177.2	-168.2	0	0	0	0	110	V1083 W1085 L1122 V1136 E1137	V1007-V1083 HydrophobicContact CB-CB 4.06Å; V1007-V1083 HydrophobicContact CB-CG2 4.35Å; V1007-V1083 PolarHBondContact N-O 2.85Å; V1007-V1083 PolarHBondContact O-N 3.38Å; V1007-W1085 HydrophobicContact CG2-CZ2 3.78Å; V1007-L1122 HydrophobicContact CB-CD2 4.32Å; V1007-L1122 HydrophobicContact CG1-CD2 3.5Å; V1007-L1122 HydrophobicContact CG2-CD2 3.82Å; V1007-V1136 HydrophobicContact CG1-CG1 3.54Å; V1007-E1137 CarbonylContact C-O 3.53Å; V1007-E1137 VanDerWaalsContact CA-O 3.29Å; V1007-E1137 WeakPolarHBondContact CA-O 3.47Å; V1007-E1137 VanDerWaalsContact CG1-O 3.31Å; V1007-E1137 WeakPolarHBondContact CG1-O 3.37Å
1008	L	97.3	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.5	170.6	-59.7	-175.3	0	0	0	111	L1002 Y1010 V1080 V1136 E1137 R1139	L1002-L1008 HydrophobicContact CB-CD1 4.32Å; L1002-L1008 HydrophobicContact CD1-CD1 4.23Å; L1002-L1008 HydrophobicContact CD2-CD2 4.45Å; L1008-Y1010 HydrophobicContact CB-CD2 4.4Å; L1008-Y1010 HydrophobicContact CB-CE2 3.82Å; L1008-Y1010 HydrophobicContact CD1-CE2 4.4Å; L1008-Y1010 WeakPolarHBondContact CD1-OH 3.38Å; L1008-V1080 HydrophobicContact CB-CG1 3.9Å; L1008-V1080 HydrophobicContact CD1-CG1 4.41Å; L1008-V1080 HydrophobicContact CD2-CG1 4.03Å; L1008-V1080 HydrophobicContact CG-CG1 4.33Å; L1008-V1136 WeakPolarHBondContact O-CA 3.46Å; L1008-E1137 HydrophobicContact CB-CB 4.5Å; L1008-E1137 PolarHBondContact N-O 3.39Å; L1008-E1137 PolarHBondContact O-N 3.01Å; L1008-R1139 HydrophobicContact CG-CG 4.46Å
1009	I	98	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	106	175.2	-55.3	172.7	0	0	0	107.8	L1011 Y1057 L1061 V1080 I1081 V1083 F1125 V1133 V1136	I1009-L1011 HydrophobicContact CG2-CD2 4.32Å; I1009-Y1057 HydrophobicContact CG2-CE1 4.26Å; I1009-L1061 HydrophobicContact CD1-CD1 3.93Å; I1009-V1080 WeakPolarHBondContact O-CA 3.46Å; I1009-I1081 HydrophobicContact CB-CB 4.18Å; I1009-I1081 PolarHBondContact N-O 2.94Å; I1009-I1081 PolarHBondContact O-N 3.5Å; I1009-V1083 HydrophobicContact CD1-CG2 3.9Å; I1009-V1083 HydrophobicContact CG1-CG2 4.15Å; I1009-F1125 HydrophobicContact CD1-CB 4.18Å; I1009-F1125 HydrophobicContact CD1-CD2 3.68Å; I1009-F1125 HydrophobicContact CD1-CE2 4.18Å; I1009-F1125 HydrophobicContact CD1-CG 3.94Å; I1009-F1125 HydrophobicContact CG1-CD2 4.14Å; I1009-V1133 HydrophobicContact CG2-CB 4.46Å; I1009-V1133 HydrophobicContact CG2-CG1 3.97Å; I1009-V1133 HydrophobicContact CG2-CG2 3.64Å; I1009-V1136 HydrophobicContact CG1-CG1 4.32Å; I1009-V1136 HydrophobicContact CG1-CG2 4.22Å; I1009-V1136 HydrophobicContact CG2-CG2 4.18Å
1010	Y	97.2	Very high	93	Very high	59 Å²	59	38 Å²	38	23%	0.231	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.6	179.1	-69.8	-88.6	0	0	0	110.9	L1008 V1080 K1134 S1135 E1137	L1008-Y1010 HydrophobicContact CB-CD2 4.4Å; L1008-Y1010 HydrophobicContact CB-CE2 3.82Å; L1008-Y1010 HydrophobicContact CD1-CE2 4.4Å; L1008-Y1010 WeakPolarHBondContact CD1-OH 3.38Å; Y1010-V1080 HydrophobicContact CD1-CG2 3.64Å; Y1010-V1080 HydrophobicContact CE1-CG2 3.66Å; Y1010-K1134 WeakPolarHBondContact O-CB 3.2Å; Y1010-K1134 PolarHBondContact O-N 3.01Å; Y1010-S1135 PolarHBondContact N-O 3.23Å; Y1010-S1135 PolarHBondContact O-N 2.9Å; Y1010-E1137 HydrophobicContact CD2-CB 4.41Å; Y1010-E1137 HydrophobicContact CE2-CB 3.9Å; Y1010-E1137 WeakPolarHBondContact CE2-OE2 3.34Å
1011	L	96.7	Very high	93	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	154.2	-177.2	-51.9	177.9	0	0	0	111.6	I1009 P1013 V1016 V1054 Y1057 T1079 I1081 L1132 V1133	I1009-L1011 HydrophobicContact CG2-CD2 4.32Å; L1011-P1013 WeakPolarHBondContact O-CD 3.23Å; L1011-V1016 HydrophobicContact CB-CG2 3.95Å; L1011-V1016 HydrophobicContact CD1-CG2 4.21Å; L1011-V1054 HydrophobicContact CD1-CB 4.39Å; L1011-V1054 HydrophobicContact CD1-CG1 3.56Å; L1011-V1054 HydrophobicContact CD1-CG2 3.95Å; L1011-Y1057 HydrophobicContact CD2-CE1 4.47Å; L1011-T1079 WeakPolarHBondContact CB-O 3.45Å; L1011-T1079 PolarHBondContact N-O 3.27Å; L1011-I1081 HydrophobicContact CD1-CG1 4.15Å; L1011-I1081 HydrophobicContact CD2-CD1 4.24Å; L1011-I1081 HydrophobicContact CD2-CG1 4.29Å; L1011-I1081 HydrophobicContact CG-CG1 4.5Å; L1011-L1132 CarbonylContact C-O 3.53Å; L1011-L1132 HydrophobicContact CD2-CG 4.3Å; L1011-V1133 HydrophobicContact CD2-CG2 4.29Å
1012	N	94.4	Very high	93.1	Very high	46 Å²	46	35.3 Å²	35.3	25%	0.246	18%	0.181	C	C	.	.			trans	-81.6	113.1	175.2	179.4	-6.6	0	0	0	109.8	K1014 H1015 G1131 L1132	N1012-K1014 PolarHBondContact O-N 3.06Å; N1012-K1014 PolarHBondContact OD1-N 3.48Å; N1012-H1015 PolarHBondContact ND2-CD2 2.86Å; N1012-H1015 VanDerWaalsContact ND2-CD2 3.33Å; N1012-H1015 PolarHBondContact O-N 3.11Å; N1012-G1131 PolarHBondContact ND2-O 3.37Å; N1012-L1132 VanDerWaalsContact CB-O 3.27Å; N1012-L1132 WeakPolarHBondContact CB-O 3.48Å; N1012-L1132 PolarHBondContact N-O 2.89Å
1013	P	93.8	Very high	93.2	Very high	40 Å²	40	33.6 Å²	33.6	26%	0.26	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.5	-173.6	-26.9	36.6	0	0	0	114.8	L1011 H1015 V1016 L1019 F1030 R1032 T1079	L1011-P1013 WeakPolarHBondContact O-CD 3.23Å; P1013-H1015 PolarHBondContact O-N 2.87Å; P1013-V1016 PolarHBondContact O-N 2.86Å; P1013-L1019 HydrophobicContact CB-CD1 4.04Å; P1013-L1019 HydrophobicContact CB-CD2 3.68Å; P1013-F1030 HydrophobicContact CB-CE2 4.04Å; P1013-R1032 PolarHBondContact O-NH2 2.83Å; P1013-T1079 HydrophobicContact CG-CG2 4.49Å
1014	K	93	Very high	93.3	Very high	105 Å²	105	31.3 Å²	31.3	46%	0.457	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33	172.8	-68.7	-178.3	178.7	-179.3	0	112.4	C725 N1012 F1030 R1032	C725-K1014 PolarHBondContact N-O 3.01Å; N1012-K1014 PolarHBondContact O-N 3.06Å; N1012-K1014 PolarHBondContact OD1-N 3.48Å; K1014-F1030 HydrophobicContact CG-CD1 4.21Å; K1014-F1030 HydrophobicContact CG-CE1 3.7Å; K1014-F1030 HydrophobicContact CG-CE2 4.3Å; K1014-F1030 HydrophobicContact CG-CZ 3.75Å; K1014-R1032 PolarHBondContact O-NH1 3.02Å
1015	H	93.4	Very high	93.3	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.259	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-4.7	-174.4	-57.9	-69.9	0	0	0	114.5	N1012 P1013 P1017 G1131 L1132	N1012-H1015 PolarHBondContact ND2-CD2 2.86Å; N1012-H1015 VanDerWaalsContact ND2-CD2 3.33Å; N1012-H1015 PolarHBondContact O-N 3.11Å; P1013-H1015 PolarHBondContact O-N 2.87Å; H1015-P1017 VanDerWaalsContact O-CD 3.32Å; H1015-P1017 WeakPolarHBondContact O-CD 3.43Å; H1015-G1131 PolarHBondContact CD2-O 2.87Å; H1015-L1132 HydrophobicContact CB-CD1 3.7Å
1016	V	94.4	Very high	93	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.178	C	C	.	.			trans	-81.8	107.6	167.8	-179	0	0	0	0	108.7	L1011 P1013 L1019 R1032 V1054 T1079	L1011-V1016 HydrophobicContact CB-CG2 3.95Å; L1011-V1016 HydrophobicContact CD1-CG2 4.21Å; P1013-V1016 PolarHBondContact O-N 2.86Å; V1016-L1019 HydrophobicContact CB-CB 4.43Å; V1016-L1019 HydrophobicContact CB-CD1 4.49Å; V1016-L1019 HydrophobicContact CG1-CB 4.27Å; V1016-L1019 HydrophobicContact CG1-CD1 4.45Å; V1016-L1019 WeakPolarHBondContact O-CB 3.42Å; V1016-R1032 VanDerWaalsContact O-CZ 3.31Å; V1016-R1032 PolarHBondContact O-NH2 2.92Å; V1016-V1054 HydrophobicContact CB-CG2 4.28Å; V1016-V1054 HydrophobicContact CG1-CG2 4.27Å; V1016-V1054 HydrophobicContact CG2-CG2 3.92Å; V1016-T1079 HydrophobicContact CG2-CG2 4.46Å
1017	P	91.5	Very high	92.4	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-40.5	-169.7	28.1	-33.8	0	0	0	112.9	H1015 L1019 R1032 N1052	H1015-P1017 VanDerWaalsContact O-CD 3.32Å; H1015-P1017 WeakPolarHBondContact O-CD 3.43Å; P1017-L1019 PolarHBondContact O-N 2.81Å; P1017-R1032 PolarHBondContact O-NE 3.01Å; P1017-N1052 VanDerWaalsContact CD-OD1 3.3Å; P1017-N1052 WeakPolarHBondContact CD-OD1 3.46Å; P1017-N1052 HydrophobicContact CG-CB 4.18Å; P1017-N1052 WeakPolarHBondContact CG-OD1 3.28Å
1018	L	92.2	Very high	91.7	Very high	22 Å²	22	44 Å²	44	12%	0.115	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	13.9	-178.8	-64.7	174.3	0	0	0	113.8	Y728 R1020 H1021 P1075 G1077	Y728-L1018 HydrophobicContact CD1-CD1 4.47Å; Y728-L1018 HydrophobicContact CD1-CD2 4.13Å; Y728-L1018 HydrophobicContact CG-CD2 4.25Å; Y728-L1018 HydrophobicContact CG-CG 4.45Å; L1018-R1020 PolarHBondContact O-N 2.99Å; L1018-H1021 WeakPolarHBondContact O-CB 3.27Å; L1018-H1021 PolarHBondContact O-N 2.74Å; L1018-P1075 WeakPolarHBondContact CD1-O 3.2Å; L1018-G1077 WeakPolarHBondContact O-CA 3.43Å
1019	L	92.6	Very high	91	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.042	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-49.2	-31.2	-175.1	-175.4	72	0	0	0	114.9	P1013 V1016 P1017 H1021 A1022 P1026 F1030 T1079	P1013-L1019 HydrophobicContact CB-CD1 4.04Å; P1013-L1019 HydrophobicContact CB-CD2 3.68Å; V1016-L1019 HydrophobicContact CB-CB 4.43Å; V1016-L1019 HydrophobicContact CB-CD1 4.49Å; V1016-L1019 HydrophobicContact CG1-CB 4.27Å; V1016-L1019 HydrophobicContact CG1-CD1 4.45Å; V1016-L1019 WeakPolarHBondContact O-CB 3.42Å; P1017-L1019 PolarHBondContact O-N 2.81Å; L1019-H1021 PolarHBondContact O-N 3.45Å; L1019-A1022 WeakPolarHBondContact O-CB 3.48Å; L1019-A1022 PolarHBondContact O-N 3.43Å; L1019-P1026 HydrophobicContact CD1-CG 3.9Å; L1019-P1026 HydrophobicContact CD2-CG 3.76Å; L1019-P1026 HydrophobicContact CG-CG 3.92Å; L1019-F1030 HydrophobicContact CD2-CD2 4.05Å; L1019-F1030 HydrophobicContact CD2-CE2 3.81Å; L1019-T1079 HydrophobicContact CD1-CG2 3.49Å; L1019-T1079 VanDerWaalsContact CD1-CG2 3.49Å
1020	R	89.1	Confident	90.6	Very high	104 Å²	104	52.9 Å²	52.9	39%	0.392	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.1	-14.9	178.5	75.1	176	-172.4	164.5	10.7	113.8	E699 L1018	E699-R1020 IonicContact OE1-CZ 3.86Å; E699-R1020 IonicContact OE1-NH1 3.94Å; E699-R1020 PolarHBondContact OE1-NH1 3.35Å; E699-R1020 IonicContact OE1-NH2 2.72Å; E699-R1020 PolarHBondContact OE1-NH2 3.08Å; E699-R1020 IonicContact OE2-CZ 3.59Å; E699-R1020 VanDerWaalsContact OE2-CZ 3.29Å; E699-R1020 IonicContact OE2-NH1 2.73Å; E699-R1020 PolarHBondContact OE2-NH1 2.79Å; E699-R1020 IonicContact OE2-NH2 2.85Å; E699-R1020 PolarHBondContact OE2-NH2 3.1Å; L1018-R1020 PolarHBondContact O-N 2.99Å
1021	H	91.4	Very high	90.1	Very high	26 Å²	26	53.7 Å²	53.7	12%	0.12	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-105.1	0.8	-176.7	-57.1	136.1	0	0	0	113.5	F696 R857 L1018 L1019 Y1076	F696-H1021 HydrophobicContact CD1-CB 4.34Å; F696-H1021 AromaticContact CD1-CD2 3.31Å; F696-H1021 WeakPolarHBondContact CD1-CD2 3.29Å; F696-H1021 AromaticContact CD1-CG 3.87Å; F696-H1021 AromaticContact CD1-NE2 3.7Å; F696-H1021 HydrophobicContact CD2-CB 3.91Å; F696-H1021 AromaticContact CD2-CG 3.92Å; F696-H1021 HydrophobicContact CE1-CB 4.09Å; F696-H1021 AromaticContact CE1-CD2 3.6Å; F696-H1021 HydrophobicContact CE2-CB 3.66Å; F696-H1021 HydrophobicContact CG-CB 4.25Å; F696-H1021 AromaticContact CG-CD2 3.64Å; F696-H1021 AromaticContact CG-CG 3.79Å; F696-H1021 HydrophobicContact CZ-CB 3.74Å; R857-H1021 PolarHBondContact NE-O 2.86Å; R857-H1021 PolarHBondContact NH2-O 2.71Å; L1018-H1021 WeakPolarHBondContact O-CB 3.27Å; L1018-H1021 PolarHBondContact O-N 2.74Å; L1019-H1021 PolarHBondContact O-N 3.45Å; H1021-Y1076 CarbonylContact C-O 3.45Å; H1021-Y1076 VanDerWaalsContact O-O 3.14Å
1022	A	92.2	Very high	89.9	Confident	16 Å²	16	54.9 Å²	54.9	13%	0.132	31%	0.314	C	S	.	.	S	Bend	trans	-59.8	151	176.1	0	0	0	0	0	110.9	L1019 D1024 P1025 Y1076	L1019-A1022 WeakPolarHBondContact O-CB 3.48Å; L1019-A1022 PolarHBondContact O-N 3.43Å; A1022-D1024 PolarHBondContact O-N 2.78Å; A1022-P1025 WeakPolarHBondContact O-CD 3.38Å; A1022-Y1076 WeakPolarHBondContact CA-O 3.41Å; A1022-Y1076 PolarHBondContact N-O 3.23Å; A1022-Y1076 VanDerWaalsContact N-O 3.16Å
1023	V	92.5	Very high	89.6	Confident	15 Å²	15	52.7 Å²	52.7	9%	0.091	30%	0.303	C	S	.	.	S	Bend	trans	-57.4	-40.2	176.9	177.3	0	0	0	0	111.7	A861 R995 M998 R999	A861-V1023 HydrophobicContact CB-CG2 3.66Å; R995-V1023 HydrophobicContact CB-CG1 4.07Å; R995-V1023 WeakPolarHBondContact CD-O 3.09Å; M998-V1023 HydrophobicContact CB-CG1 3.72Å; M998-V1023 HydrophobicContact CB-CG2 3.93Å; R999-V1023 HydrophobicContact CG-CG1 4.45Å
1024	D	90.5	Very high	89.4	Confident	85 Å²	85	53.1 Å²	53.1	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-120.6	81.3	175.4	-64.3	-66.2	0	0	0	108.8	R999 A1022	R999-D1024 IonicContact CZ-OD1 3.8Å; R999-D1024 IonicContact CZ-OD2 2.88Å; R999-D1024 IonicContact NE-OD1 3.47Å; R999-D1024 PolarHBondContact NE-OD1 3.38Å; R999-D1024 IonicContact NE-OD2 3.46Å; R999-D1024 PolarHBondContact NE-OD2 2.98Å; R999-D1024 IonicContact NH2-OD1 3.34Å; R999-D1024 PolarHBondContact NH2-OD1 3Å; R999-D1024 IonicContact NH2-OD2 2.81Å; A1022-D1024 PolarHBondContact O-N 2.78Å
1025	P	86.3	Confident	88.9	Confident	72 Å²	72	52.8 Å²	52.8	47%	0.468	31%	0.306	S	S	.	.			trans	-73	133.3	-175.8	29.9	-32.1	0	0	0	110	A1022	A1022-P1025 WeakPolarHBondContact O-CD 3.38Å
1026	P	85.1	Confident	87.4	Confident	55 Å²	55	55.6 Å²	55.6	36%	0.357	33%	0.331	S	S	.	.			trans	-70	143.7	-179.8	29.4	-35.1	0	0	0	111.1	L1019 V1028	L1019-P1026 HydrophobicContact CD1-CG 3.9Å; L1019-P1026 HydrophobicContact CD2-CG 3.76Å; L1019-P1026 HydrophobicContact CG-CG 3.92Å; P1026-V1028 PolarHBondContact O-N 3.1Å
1027	A	83.1	Confident	85.6	Confident	108 Å²	108	61.2 Å²	61.2	89%	0.893	36%	0.362	S	S	*	.	S	Bend	trans	-61.6	-10.6	178.2	0	0	0	0	0	114.8
1028	V	81.9	Confident	83.8	Confident	92 Å²	92	63.4 Å²	63.4	56%	0.558	39%	0.386	S	S	*	.			trans	-89.6	104.6	175.6	-176.7	0	0	0	0	109.6	P1026 F1030	P1026-V1028 PolarHBondContact O-N 3.1Å; V1028-F1030 HydrophobicContact CG1-CD1 4.48Å; V1028-F1030 HydrophobicContact CG1-CE1 3.73Å; V1028-F1030 HydrophobicContact CG1-CZ 3.75Å
1029	T	82.9	Confident	82.1	Confident	130 Å²	130	65.2 Å²	65.2	80%	0.798	40%	0.403	S	S	*	.			trans	-83.7	157.9	170.9	57.9	0	0	0	0	111.5
1030	F	87.9	Confident	80.5	Confident	57 Å²	57	65.9 Å²	65.9	25%	0.25	41%	0.407	C	S	.	.			trans	-129.5	138.7	177	-56.8	-69.6	0	0	0	109.7	P724 P1013 K1014 L1019 V1028	P724-F1030 HydrophobicContact CB-CB 4.09Å; P724-F1030 HydrophobicContact CG-CB 4.02Å; P724-F1030 HydrophobicContact CG-CD1 4.43Å; P724-F1030 HydrophobicContact CG-CG 4.44Å; P1013-F1030 HydrophobicContact CB-CE2 4.04Å; K1014-F1030 HydrophobicContact CG-CD1 4.21Å; K1014-F1030 HydrophobicContact CG-CE1 3.7Å; K1014-F1030 HydrophobicContact CG-CE2 4.3Å; K1014-F1030 HydrophobicContact CG-CZ 3.75Å; L1019-F1030 HydrophobicContact CD2-CD2 4.05Å; L1019-F1030 HydrophobicContact CD2-CE2 3.81Å; V1028-F1030 HydrophobicContact CG1-CD1 4.48Å; V1028-F1030 HydrophobicContact CG1-CE1 3.73Å; V1028-F1030 HydrophobicContact CG1-CZ 3.75Å
1031	S	88.2	Confident	79	Confident	76 Å²	76	69.1 Å²	69.1	53%	0.531	43%	0.427	S	S	.	.			trans	-65.8	134.9	162.7	177.2	0	0	0	0	109.1	F707	F707-S1031 WeakPolarHBondContact CE2-O 3.34Å; F707-S1031 WeakPolarHBondContact CZ-O 3.23Å
1032	R	91.1	Very high	77.5	Confident	28 Å²	28	70.3 Å²	70.3	11%	0.106	44%	0.441	C	S	.	.			trans	-126.4	27.7	-178.1	-58.5	-164.4	-180	-76.1	-0.9	113	C725 P726 H727 P1013 K1014 V1016 P1017	C725-R1032 WeakPolarHBondContact O-CD 3.45Å; C725-R1032 WeakPolarHBondContact O-CG 3.29Å; C725-R1032 PolarHBondContact O-NH1 2.64Å; P726-R1032 CarbonylContact C-O 3.54Å; P726-R1032 WeakPolarHBondContact CA-O 3.42Å; H727-R1032 HydrophobicContact CB-CB 4.22Å; H727-R1032 PolarHBondContact N-O 3.49Å; P1013-R1032 PolarHBondContact O-NH2 2.83Å; K1014-R1032 PolarHBondContact O-NH1 3.02Å; V1016-R1032 VanDerWaalsContact O-CZ 3.31Å; V1016-R1032 PolarHBondContact O-NH2 2.92Å; P1017-R1032 PolarHBondContact O-NE 3.01Å
1033	G	89.4	Confident	76.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	45%	0.448	C	S	.	.	S	Bend	trans	80	26.4	174.7	0	0	0	0	0	115.9	D704	D704-G1033 PolarHBondContact N-O 2.89Å
1034	V	88.6	Confident	75.7	Confident	50 Å²	50	71.2 Å²	71.2	30%	0.303	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-122.9	138.4	178.3	170.9	0	0	0	0	110.4	V701 R702 H727	V701-V1034 HydrophobicContact CB-CG1 3.94Å; V701-V1034 HydrophobicContact CB-CG2 4.2Å; V701-V1034 HydrophobicContact CG1-CG1 4.21Å; V701-V1034 HydrophobicContact CG1-CG2 4.48Å; V701-V1034 HydrophobicContact CG2-CG2 4.31Å; R702-V1034 CarbonylContact O-C 3.58Å; R702-V1034 WeakPolarHBondContact O-CA 3.45Å; H727-V1034 HydrophobicContact CB-CG2 3.56Å
1035	M	83.5	Confident	75.5	Confident	98 Å²	98	67.5 Å²	67.5	48%	0.483	44%	0.436	S	S	.	.			trans	-89	148.4	174.1	-59.3	-170.9	73.7	0	0	111.3	R702 D704 N1037	R702-M1035 HydrophobicContact CG-CB 4.24Å; R702-M1035 HydrophobicContact CG-SD 4.45Å; R702-M1035 PolarHBondContact O-N 3.1Å; D704-M1035 HydrophobicContact CB-CG 4.14Å; M1035-N1037 VanDerWaalsContact C-N 3.33Å; M1035-N1037 PolarHBondContact O-N 2.92Å
1036	S	62.1	Low	75.7	Confident	114 Å²	114	64.5 Å²	64.5	80%	0.797	42%	0.416	S	S	*	.	S	Bend	trans	-80.5	1.8	-173.8	49.9	0	0	0	0	116.1
1037	N	56.5	Low	76	Confident	122 Å²	122	62 Å²	62	65%	0.652	40%	0.4	S	S	*	.	S	Bend	trans	-148.5	128.6	-174.7	-95.5	-58.7	0	0	0	115.1	M1035	M1035-N1037 VanDerWaalsContact C-N 3.33Å; M1035-N1037 PolarHBondContact O-N 2.92Å
1038	G	53.8	Low	76.5	Confident	54 Å²	54	57.9 Å²	57.9	56%	0.557	36%	0.364	S	S	*	.			trans	85.2	150.8	175.2	0	0	0	0	0	114.2	R702	R702-G1038 WeakPolarHBondContact CB-O 3.42Å; R702-G1038 WeakPolarHBondContact CD-O 3.36Å
1039	A	55.8	Low	77	Confident	59 Å²	59	54.8 Å²	54.8	49%	0.488	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-81.5	149.9	162.8	0	0	0	0	0	109.8
1040	D	59.3	Low	77.5	Confident	22 Å²	22	51.6 Å²	51.6	12%	0.118	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-71.8	144.5	170.9	-83.6	-43	0	0	0	111.3	R702 L703	R702-D1040 WeakPolarHBondContact CA-OD2 3.43Å; R702-D1040 WeakPolarHBondContact CD-OD1 3.35Å; R702-D1040 WeakPolarHBondContact CG-OD1 3.49Å; R702-D1040 WeakPolarHBondContact CG-OD2 3.35Å; R702-D1040 IonicContact CZ-OD1 2.98Å; R702-D1040 IonicContact NE-OD1 3.75Å; R702-D1040 PolarHBondContact NE-OD1 2.87Å; R702-D1040 IonicContact NH2-OD1 3.76Å; L703-D1040 PolarHBondContact N-OD2 2.68Å; L703-D1040 VanDerWaalsContact N-OD2 3.11Å
1041	Q	56.4	Low	77.7	Confident	172 Å²	172	53.5 Å²	53.5	80%	0.804	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-69.4	164.4	172.9	-66.5	-178.6	-6.7	0	0	110.7	G1043	Q1041-G1043 PolarHBondContact O-N 2.82Å
1042	A	60.4	Low	78	Confident	51 Å²	51	50.3 Å²	50.3	42%	0.421	31%	0.306	S	S	.	.	S	Bend	trans	-59.5	133.4	174.7	0	0	0	0	0	111	Y772	Y772-A1042 HydrophobicContact CD1-CB 4.44Å
1043	G	64.9	Low	78.2	Confident	28 Å²	28	49.8 Å²	49.8	29%	0.289	31%	0.306	S	S	.	.			trans	92.9	129.8	-175.9	0	0	0	0	0	113.4	Q1041	Q1041-G1043 PolarHBondContact O-N 2.82Å
1044	G	81	Confident	78.5	Confident	22 Å²	22	50.2 Å²	50.2	23%	0.227	31%	0.309	C	S	.	.			trans	-171.8	-157.3	-179.9	0	0	0	0	0	114	T773	T773-G1044 PolarHBondContact OG1-N 3.33Å
1045	A	87	Confident	78.8	Confident	8 Å²	8	50.3 Å²	50.3	7%	0.066	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-92.7	139.2	158.4	0	0	0	0	0	108.4	Y705 R715 L717	Y705-A1045 HydrophobicContact CD1-CB 4.37Å; Y705-A1045 HydrophobicContact CE1-CB 3.75Å; Y705-A1045 PolarHBondContact OH-N 3.11Å; R715-A1045 CarbonylContact O-C 3.38Å; R715-A1045 WeakPolarHBondContact O-CA 3.47Å; R715-A1045 VanDerWaalsContact O-CB 3.24Å; R715-A1045 WeakPolarHBondContact O-CB 3.33Å; L717-A1045 HydrophobicContact CD2-CB 3.64Å; L717-A1045 HydrophobicContact CG-CB 4.02Å
1046	F	90.8	Very high	79.4	Confident	8 Å²	8	50 Å²	50	4%	0.035	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-74.2	130.7	-176.3	-165.7	-86.8	0	0	0	110.3	R715 F716 L717 T773 D782 W784 V1049	R715-F1046 PolarHBondContact O-N 2.98Å; F716-F1046 HydrophobicContact CD1-CB 3.8Å; F716-F1046 AromaticContact CD1-CD1 3.61Å; F716-F1046 HydrophobicContact CD1-CD1 3.61Å; F716-F1046 HydrophobicContact CD1-CG 4.05Å; F716-F1046 HydrophobicContact CE1-CB 3.82Å; F716-F1046 AromaticContact CE1-CD1 3.33Å; F716-F1046 HydrophobicContact CE1-CD1 3.33Å; F716-F1046 HydrophobicContact CE1-CE1 4.08Å; F716-F1046 AromaticContact CE1-CG 3.7Å; F716-F1046 HydrophobicContact CE1-CG 3.7Å; F716-F1046 HydrophobicContact CG-CB 4.29Å; F716-F1046 HydrophobicContact CZ-CB 4.32Å; F716-F1046 HydrophobicContact CZ-CD1 4.35Å; F716-F1046 HydrophobicContact CZ-CG 4.35Å; L717-F1046 PolarHBondContact N-O 3.4Å; T773-F1046 HydrophobicContact CG2-CB 4Å; T773-F1046 HydrophobicContact CG2-CD2 4.02Å; T773-F1046 WeakPolarHBondContact O-CD2 3.35Å; T773-F1046 WeakPolarHBondContact O-CE2 3.47Å; D782-F1046 HydrophobicContact CB-CZ 3.72Å; W784-F1046 HydrophobicContact CB-CD2 4.22Å; W784-F1046 HydrophobicContact CB-CE2 4.11Å; F1046-V1049 HydrophobicContact CD1-CG2 4.47Å; F1046-V1049 HydrophobicContact CE1-CG2 3.58Å; F1046-V1049 HydrophobicContact CZ-CG2 4.04Å
1047	P	92.1	Very high	81.1	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.026	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-77.1	173.3	-171.2	30.5	-36.1	0	0	0	114.6	L703 L729 W784 V789 V1049	L703-P1047 HydrophobicContact CD1-CB 3.79Å; L703-P1047 HydrophobicContact CD1-CG 4.41Å; L703-P1047 HydrophobicContact CD2-CB 4.29Å; L729-P1047 HydrophobicContact CD1-CB 3.45Å; L729-P1047 VanDerWaalsContact CD1-CB 3.45Å; L729-P1047 HydrophobicContact CD1-CG 3.57Å; W784-P1047 HydrophobicContact CD2-CG 4.09Å; W784-P1047 HydrophobicContact CE3-CG 3.78Å; W784-P1047 HydrophobicContact CZ3-CG 4.05Å; V789-P1047 HydrophobicContact CG2-CG 4.45Å; P1047-V1049 HydrophobicContact CG-CG2 4.05Å; P1047-V1049 PolarHBondContact O-N 2.88Å
1048	V	92.1	Very high	82.9	Confident	21 Å²	21	39.8 Å²	39.8	13%	0.127	25%	0.247	C	C	.	.			trans	-75.3	110.3	165	-176	0	0	0	0	108.3	F708 L717 P719 Y1051	F708-V1048 HydrophobicContact CD1-CG2 3.93Å; F708-V1048 HydrophobicContact CE1-CB 4.43Å; F708-V1048 HydrophobicContact CE1-CG2 3.82Å; L717-V1048 HydrophobicContact CB-CG2 4.36Å; L717-V1048 WeakPolarHBondContact O-CG2 3.47Å; P719-V1048 HydrophobicContact CG-CG1 4.08Å; P719-V1048 HydrophobicContact CG-CG2 4.01Å; V1048-Y1051 HydrophobicContact CG1-CD1 4.28Å; V1048-Y1051 HydrophobicContact CG1-CG 4.08Å
1049	V	92.5	Very high	84.9	Confident	26 Å²	26	40.3 Å²	40.3	16%	0.158	24%	0.24	C	C	.	.			trans	-104.6	148.2	-177	-174.8	0	0	0	0	110.2	P731 V789 F1046 P1047 Y1051	P731-V1049 HydrophobicContact CB-CG1 4.12Å; P731-V1049 HydrophobicContact CG-CG1 4.44Å; V789-V1049 HydrophobicContact CB-CG1 4.35Å; V789-V1049 HydrophobicContact CG1-CG1 3.86Å; V789-V1049 HydrophobicContact CG1-CG2 4.19Å; V789-V1049 HydrophobicContact CG2-CG1 4.24Å; V789-V1049 HydrophobicContact CG2-CG2 3.83Å; F1046-V1049 HydrophobicContact CD1-CG2 4.47Å; F1046-V1049 HydrophobicContact CE1-CG2 3.58Å; F1046-V1049 HydrophobicContact CZ-CG2 4.04Å; P1047-V1049 HydrophobicContact CG-CG2 4.05Å; P1047-V1049 PolarHBondContact O-N 2.88Å; V1049-Y1051 PolarHBondContact O-N 2.81Å
1050	D	93.3	Very high	86.9	Confident	63 Å²	63	41.9 Å²	41.9	34%	0.337	24%	0.237	S	C	.	.	S	Bend	trans	59.8	9.4	170	-135.7	2.3	0	0	0	116.7	Y728 L729 P731 R791 N1052	Y728-D1050 VanDerWaalsContact CE2-C 3.46Å; Y728-D1050 PolarHBondContact OH-OD1 3.38Å; L729-D1050 PolarHBondContact O-N 3.16Å; L729-D1050 VanDerWaalsContact O-N 3.09Å; P731-D1050 WeakPolarHBondContact CD-OD1 3.43Å; P731-D1050 HydrophobicContact CG-CB 4.24Å; R791-D1050 IonicContact CZ-OD2 3.35Å; R791-D1050 IonicContact NH1-OD2 3.84Å; R791-D1050 PolarHBondContact NH1-OD2 2.92Å; R791-D1050 IonicContact NH2-OD2 2.74Å; R791-D1050 PolarHBondContact NH2-OD2 3.18Å; D1050-N1052 PolarHBondContact O-N 2.94Å; D1050-N1052 VanDerWaalsContact O-N 3.12Å
1051	Y	93.6	Very high	88.7	Confident	98 Å²	98	40.9 Å²	40.9	38%	0.384	23%	0.231	S	C	.	.			trans	-82.8	94.5	-172.8	-175.4	-112.1	0	0	0	112.2	P719 V1048 V1049 P1053 L1056	P719-Y1051 HydrophobicContact CG-CD1 4.41Å; P719-Y1051 HydrophobicContact CG-CE1 4.24Å; V1048-Y1051 HydrophobicContact CG1-CD1 4.28Å; V1048-Y1051 HydrophobicContact CG1-CG 4.08Å; V1049-Y1051 PolarHBondContact O-N 2.81Å; Y1051-P1053 HydrophobicContact CD1-CG 4.27Å; Y1051-P1053 HydrophobicContact CE1-CG 3.65Å; Y1051-P1053 HydrophobicContact CE2-CG 4.42Å; Y1051-L1056 HydrophobicContact CD2-CD1 4.16Å; Y1051-L1056 HydrophobicContact CE2-CD1 4.17Å
1052	N	94.6	Very high	90.5	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	21%	0.206	C	C	.	.			trans	-115.6	100.3	167.9	-173.3	-1.3	0	0	0	111.4	Y728 P1017 D1050 V1054 S1055 L1056	Y728-N1052 HydrophobicContact CD2-CB 3.92Å; Y728-N1052 HydrophobicContact CE2-CB 3.7Å; P1017-N1052 VanDerWaalsContact CD-OD1 3.3Å; P1017-N1052 WeakPolarHBondContact CD-OD1 3.46Å; P1017-N1052 HydrophobicContact CG-CB 4.18Å; P1017-N1052 WeakPolarHBondContact CG-OD1 3.28Å; D1050-N1052 PolarHBondContact O-N 2.94Å; D1050-N1052 VanDerWaalsContact O-N 3.12Å; N1052-V1054 PolarHBondContact O-N 3.31Å; N1052-V1054 VanDerWaalsContact O-N 3.13Å; N1052-V1054 WeakPolarHBondContact OD1-CB 3.48Å; N1052-V1054 PolarHBondContact OD1-N 2.91Å; N1052-V1054 VanDerWaalsContact OD1-N 3.09Å; N1052-S1055 PolarHBondContact ND2-OG 2.94Å; N1052-S1055 PolarHBondContact O-N 2.99Å; N1052-S1055 VanDerWaalsContact O-N 3.13Å; N1052-L1056 WeakPolarHBondContact O-CG 3.43Å; N1052-L1056 PolarHBondContact O-N 2.9Å; N1052-L1056 VanDerWaalsContact O-N 3.09Å
1053	P	94.8	Very high	92.1	Very high	17 Å²	17	41.3 Å²	41.3	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-53.4	-32.6	176.8	-28.2	35.5	0	0	0	114.2	Y1051 Y1057 L1132	Y1051-P1053 HydrophobicContact CD1-CG 4.27Å; Y1051-P1053 HydrophobicContact CE1-CG 3.65Å; Y1051-P1053 HydrophobicContact CE2-CG 4.42Å; P1053-Y1057 VanDerWaalsContact O-CB 3.24Å; P1053-Y1057 WeakPolarHBondContact O-CB 3.46Å; P1053-Y1057 PolarHBondContact O-N 3.2Å; P1053-L1132 HydrophobicContact CB-CD1 4.3Å; P1053-L1132 HydrophobicContact CB-CD2 4.06Å; P1053-L1132 WeakPolarHBondContact O-CD2 3.2Å
1054	V	95.9	Very high	93.5	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-44.5	-179.8	-172.8	0	0	0	0	111	L1011 V1016 N1052 L1058 L1132	L1011-V1054 HydrophobicContact CD1-CB 4.39Å; L1011-V1054 HydrophobicContact CD1-CG1 3.56Å; L1011-V1054 HydrophobicContact CD1-CG2 3.95Å; V1016-V1054 HydrophobicContact CB-CG2 4.28Å; V1016-V1054 HydrophobicContact CG1-CG2 4.27Å; V1016-V1054 HydrophobicContact CG2-CG2 3.92Å; N1052-V1054 PolarHBondContact O-N 3.31Å; N1052-V1054 VanDerWaalsContact O-N 3.13Å; N1052-V1054 WeakPolarHBondContact OD1-CB 3.48Å; N1052-V1054 PolarHBondContact OD1-N 2.91Å; N1052-V1054 VanDerWaalsContact OD1-N 3.09Å; V1054-L1058 WeakPolarHBondContact O-CB 3.31Å; V1054-L1058 PolarHBondContact O-N 2.85Å; V1054-L1132 HydrophobicContact CG2-CD1 4.32Å
1055	S	94.8	Very high	94.1	Very high	52 Å²	52	41.9 Å²	41.9	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-68.5	-40.3	178.2	-61.9	0	0	0	0	112	N1052 L1058 T1059	N1052-S1055 PolarHBondContact ND2-OG 2.94Å; N1052-S1055 PolarHBondContact O-N 2.99Å; N1052-S1055 VanDerWaalsContact O-N 3.13Å; S1055-L1058 PolarHBondContact O-N 2.97Å; S1055-T1059 PolarHBondContact O-N 3.22Å; S1055-T1059 PolarHBondContact O-OG1 3.23Å
1056	L	95.4	Very high	94.4	Very high	90 Å²	90	42.5 Å²	42.5	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-52.4	177.1	-66.2	170.6	0	0	0	111.1	Y1051 N1052 L1058 T1059 E1060	Y1051-L1056 HydrophobicContact CD2-CD1 4.16Å; Y1051-L1056 HydrophobicContact CE2-CD1 4.17Å; N1052-L1056 WeakPolarHBondContact O-CG 3.43Å; N1052-L1056 PolarHBondContact O-N 2.9Å; N1052-L1056 VanDerWaalsContact O-N 3.09Å; L1056-L1058 VanDerWaalsContact C-N 3.32Å; L1056-L1058 PolarHBondContact O-N 3.05Å; L1056-T1059 WeakPolarHBondContact O-CB 3.16Å; L1056-T1059 PolarHBondContact O-N 3.42Å; L1056-T1059 VanDerWaalsContact O-N 3.1Å; L1056-E1060 PolarHBondContact O-N 2.86Å
1057	Y	97.3	Very high	94.4	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.5	177	173	-121.9	0	0	0	112.8	I1009 L1011 P1053 T1059 E1060 L1061 I1081 F1125 M1128 L1132 V1133	I1009-Y1057 HydrophobicContact CG2-CE1 4.26Å; L1011-Y1057 HydrophobicContact CD2-CE1 4.47Å; P1053-Y1057 VanDerWaalsContact O-CB 3.24Å; P1053-Y1057 WeakPolarHBondContact O-CB 3.46Å; P1053-Y1057 PolarHBondContact O-N 3.2Å; Y1057-T1059 VanDerWaalsContact C-N 3.34Å; Y1057-T1059 PolarHBondContact O-N 2.79Å; Y1057-E1060 PolarHBondContact O-N 3.01Å; Y1057-L1061 HydrophobicContact CD1-CD1 4.26Å; Y1057-L1061 HydrophobicContact CD2-CG 4.23Å; Y1057-L1061 HydrophobicContact CE1-CD1 3.71Å; Y1057-L1061 HydrophobicContact CE1-CG 4.36Å; Y1057-L1061 HydrophobicContact CE2-CD1 4.01Å; Y1057-L1061 HydrophobicContact CE2-CD2 3.94Å; Y1057-L1061 HydrophobicContact CE2-CG 3.74Å; Y1057-L1061 WeakPolarHBondContact O-CB 3.47Å; Y1057-L1061 WeakPolarHBondContact O-CG 3.46Å; Y1057-L1061 PolarHBondContact O-N 2.83Å; Y1057-I1081 HydrophobicContact CD1-CD1 3.75Å; Y1057-I1081 HydrophobicContact CE1-CD1 3.78Å; Y1057-F1125 PolarHBondContact OH-O 3.3Å; Y1057-M1128 HydrophobicContact CD2-CB 4.47Å; Y1057-M1128 HydrophobicContact CE2-CB 3.95Å; Y1057-L1132 HydrophobicContact CD1-CD2 3.83Å; Y1057-L1132 HydrophobicContact CG-CD2 3.97Å; Y1057-V1133 HydrophobicContact CE1-CG2 3.63Å
1058	L	96	Very high	94.4	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-35.6	174.3	-179.6	61	0	0	0	112.4	V1054 S1055 L1056 R1062 F1071 C1073 I1081	V1054-L1058 WeakPolarHBondContact O-CB 3.31Å; V1054-L1058 PolarHBondContact O-N 2.85Å; S1055-L1058 PolarHBondContact O-N 2.97Å; L1056-L1058 VanDerWaalsContact C-N 3.32Å; L1056-L1058 PolarHBondContact O-N 3.05Å; L1058-R1062 VanDerWaalsContact O-CD 3.3Å; L1058-R1062 WeakPolarHBondContact O-CD 3.06Å; L1058-R1062 WeakPolarHBondContact O-CG 3.44Å; L1058-R1062 PolarHBondContact O-N 2.91Å; L1058-F1071 HydrophobicContact CD1-CB 3.59Å; L1058-C1073 HydrophobicContact CD2-CB 4.04Å; L1058-I1081 HydrophobicContact CB-CD1 4.47Å; L1058-I1081 HydrophobicContact CD1-CD1 4.41Å; L1058-I1081 HydrophobicContact CD1-CG2 3.9Å
1059	T	96	Very high	94.5	Very high	65 Å²	65	48.5 Å²	48.5	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-49.3	171.9	-62.2	0	0	0	0	111	S1055 L1056 Y1057 L1061 R1062 E1063	S1055-T1059 PolarHBondContact O-N 3.22Å; S1055-T1059 PolarHBondContact O-OG1 3.23Å; L1056-T1059 WeakPolarHBondContact O-CB 3.16Å; L1056-T1059 PolarHBondContact O-N 3.42Å; L1056-T1059 VanDerWaalsContact O-N 3.1Å; Y1057-T1059 VanDerWaalsContact C-N 3.34Å; Y1057-T1059 PolarHBondContact O-N 2.79Å; T1059-L1061 VanDerWaalsContact C-N 3.32Å; T1059-L1061 PolarHBondContact O-N 3.48Å; T1059-R1062 WeakPolarHBondContact O-CA 3.33Å; T1059-R1062 WeakPolarHBondContact O-CB 3.37Å; T1059-R1062 PolarHBondContact O-N 2.87Å; T1059-E1063 HydrophobicContact CG2-CG 4.32Å; T1059-E1063 WeakPolarHBondContact CG2-OE1 3.41Å; T1059-E1063 PolarHBondContact O-N 3.38Å
1060	E	96.3	Very high	94.6	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-57	-42.9	177.7	-68.4	173.2	-168	0	0	112.2	L1056 Y1057 R1062 E1063 A1064 M1128	L1056-E1060 PolarHBondContact O-N 2.86Å; Y1057-E1060 PolarHBondContact O-N 3.01Å; E1060-R1062 VanDerWaalsContact C-N 3.32Å; E1060-R1062 PolarHBondContact O-N 2.94Å; E1060-E1063 PolarHBondContact O-N 2.74Å; E1060-A1064 VanDerWaalsContact O-CB 3.32Å; E1060-A1064 WeakPolarHBondContact O-CB 3.44Å; E1060-A1064 PolarHBondContact O-N 3.2Å; E1060-M1128 HydrophobicContact CB-CE 3.68Å
1061	L	96.6	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-39.5	173.7	-77.5	177.5	0	0	0	112.9	I1009 Y1057 T1059 F1065 F1071 I1081 F1125	I1009-L1061 HydrophobicContact CD1-CD1 3.93Å; Y1057-L1061 HydrophobicContact CD1-CD1 4.26Å; Y1057-L1061 HydrophobicContact CD2-CG 4.23Å; Y1057-L1061 HydrophobicContact CE1-CD1 3.71Å; Y1057-L1061 HydrophobicContact CE1-CG 4.36Å; Y1057-L1061 HydrophobicContact CE2-CD1 4.01Å; Y1057-L1061 HydrophobicContact CE2-CD2 3.94Å; Y1057-L1061 HydrophobicContact CE2-CG 3.74Å; Y1057-L1061 WeakPolarHBondContact O-CB 3.47Å; Y1057-L1061 WeakPolarHBondContact O-CG 3.46Å; Y1057-L1061 PolarHBondContact O-N 2.83Å; T1059-L1061 VanDerWaalsContact C-N 3.32Å; T1059-L1061 PolarHBondContact O-N 3.48Å; L1061-F1065 HydrophobicContact CD2-CD2 4.15Å; L1061-F1065 HydrophobicContact CD2-CE2 4.33Å; L1061-F1065 WeakPolarHBondContact O-CB 3.23Å; L1061-F1065 PolarHBondContact O-N 3.06Å; L1061-F1071 HydrophobicContact CB-CD1 4.09Å; L1061-F1071 HydrophobicContact CB-CD2 4.47Å; L1061-F1071 HydrophobicContact CB-CE1 4.07Å; L1061-F1071 HydrophobicContact CB-CE2 4.45Å; L1061-F1071 HydrophobicContact CB-CG 4.31Å; L1061-F1071 HydrophobicContact CB-CZ 4.25Å; L1061-F1071 HydrophobicContact CD1-CD1 3.89Å; L1061-F1071 HydrophobicContact CD1-CE1 4.02Å; L1061-F1071 HydrophobicContact CD2-CE1 4.19Å; L1061-F1071 HydrophobicContact CG-CE1 4.35Å; L1061-F1071 WeakPolarHBondContact O-CE2 3.48Å; L1061-I1081 HydrophobicContact CD1-CD1 4.2Å; L1061-F1125 HydrophobicContact CD2-CD1 3.43Å; L1061-F1125 VanDerWaalsContact CD2-CD1 3.43Å; L1061-F1125 HydrophobicContact CD2-CE1 3.81Å; L1061-F1125 HydrophobicContact CD2-CG 4.23Å
1062	R	95.2	Very high	94.8	Very high	73 Å²	73	44 Å²	44	28%	0.275	24%	0.239	S	C	.	.	H	α-helix	trans	-73.6	-35.7	179.5	-72.5	165.4	174.5	-177.1	-3.8	112	E866 L1058 T1059 E1060 G1066 F1071	E866-R1062 VanDerWaalsContact CD-NH1 3.31Å; E866-R1062 IonicContact OE1-CZ 3.41Å; E866-R1062 IonicContact OE1-NH1 3.79Å; E866-R1062 PolarHBondContact OE1-NH1 3.5Å; E866-R1062 IonicContact OE1-NH2 2.7Å; E866-R1062 PolarHBondContact OE1-NH2 3.15Å; E866-R1062 IonicContact OE2-NH1 3.7Å; L1058-R1062 VanDerWaalsContact O-CD 3.3Å; L1058-R1062 WeakPolarHBondContact O-CD 3.06Å; L1058-R1062 WeakPolarHBondContact O-CG 3.44Å; L1058-R1062 PolarHBondContact O-N 2.91Å; T1059-R1062 WeakPolarHBondContact O-CA 3.33Å; T1059-R1062 WeakPolarHBondContact O-CB 3.37Å; T1059-R1062 PolarHBondContact O-N 2.87Å; E1060-R1062 VanDerWaalsContact C-N 3.32Å; E1060-R1062 PolarHBondContact O-N 2.94Å; R1062-G1066 WeakPolarHBondContact O-CA 2.88Å; R1062-G1066 PolarHBondContact O-N 2.79Å; R1062-F1071 HydrophobicContact CG-CB 4.13Å; R1062-F1071 HydrophobicContact CG-CD2 4.11Å; R1062-F1071 HydrophobicContact CG-CG 4.48Å; R1062-F1071 PolarHBondContact NE-O 3.19Å; R1062-F1071 PolarHBondContact NH2-O 2.99Å
1063	E	94.5	Very high	94.8	Very high	160 Å²	160	44.2 Å²	44.2	75%	0.748	24%	0.241	S	C	*	.	H	α-helix	trans	-69.8	-40.2	174.5	-70.5	179.2	-179.8	0	0	111.7	T1059 E1060	T1059-E1063 HydrophobicContact CG2-CG 4.32Å; T1059-E1063 WeakPolarHBondContact CG2-OE1 3.41Å; T1059-E1063 PolarHBondContact O-N 3.38Å; E1060-E1063 PolarHBondContact O-N 2.74Å
1064	A	93.8	Very high	94.8	Very high	52 Å²	52	44.1 Å²	44.1	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-79.1	-38.8	-179.1	0	0	0	0	0	114.3	E1060 M1128	E1060-A1064 VanDerWaalsContact O-CB 3.32Å; E1060-A1064 WeakPolarHBondContact O-CB 3.44Å; E1060-A1064 PolarHBondContact O-N 3.2Å; A1064-M1128 HydrophobicContact CB-CE 4.23Å; A1064-M1128 HydrophobicContact CB-SD 4.5Å
1065	F	94.6	Very high	94.7	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-126.9	7.7	-169.7	-54.8	-76.7	0	0	0	114.3	L1061 D1067 L1068 A1069 F1071 A1102 I1121 D1124 F1125 M1128	L1061-F1065 HydrophobicContact CD2-CD2 4.15Å; L1061-F1065 HydrophobicContact CD2-CE2 4.33Å; L1061-F1065 WeakPolarHBondContact O-CB 3.23Å; L1061-F1065 PolarHBondContact O-N 3.06Å; F1065-D1067 PolarHBondContact O-N 3.39Å; F1065-D1067 VanDerWaalsContact O-N 3.1Å; F1065-L1068 PolarHBondContact O-N 3.34Å; F1065-A1069 PolarHBondContact O-N 2.92Å; F1065-F1071 HydrophobicContact CB-CE2 3.81Å; F1065-F1071 HydrophobicContact CB-CZ 3.74Å; F1065-F1071 HydrophobicContact CG-CZ 4.49Å; F1065-A1102 HydrophobicContact CD1-CB 3.94Å; F1065-A1102 HydrophobicContact CE1-CB 3.79Å; F1065-I1121 HydrophobicContact CD1-CG1 4.22Å; F1065-I1121 HydrophobicContact CD1-CG2 3.93Å; F1065-I1121 HydrophobicContact CE1-CB 4.35Å; F1065-I1121 HydrophobicContact CE1-CG1 3.96Å; F1065-I1121 HydrophobicContact CE1-CG2 3.93Å; F1065-I1121 HydrophobicContact CG-CG2 4.45Å; F1065-I1121 HydrophobicContact CZ-CG2 4.45Å; F1065-D1124 HydrophobicContact CE2-CB 4.36Å; F1065-D1124 HydrophobicContact CZ-CB 3.67Å; F1065-F1125 HydrophobicContact CD2-CD1 4.18Å; F1065-F1125 AromaticContact CD2-CE1 3.67Å; F1065-F1125 HydrophobicContact CD2-CE1 3.67Å; F1065-F1125 HydrophobicContact CE2-CD1 4Å; F1065-F1125 AromaticContact CE2-CE1 3.91Å; F1065-F1125 HydrophobicContact CE2-CE1 3.91Å; F1065-F1125 HydrophobicContact CG-CE1 4.04Å; F1065-F1125 HydrophobicContact CZ-CE1 4.49Å; F1065-M1128 HydrophobicContact CE2-SD 3.73Å; F1065-M1128 HydrophobicContact CZ-SD 4.4Å
1066	G	92.5	Very high	94.7	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.2	-176.5	0	0	0	0	0	114.7	R1062 K1086	R1062-G1066 WeakPolarHBondContact O-CA 2.88Å; R1062-G1066 PolarHBondContact O-N 2.79Å; G1066-K1086 VanDerWaalsContact O-CE 3.29Å; G1066-K1086 WeakPolarHBondContact O-CE 3.19Å; G1066-K1086 PolarHBondContact O-NZ 2.97Å
1067	D	91.1	Very high	94.5	Very high	146 Å²	146	40.4 Å²	40.4	78%	0.781	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.8	174	-80.9	-27.9	0	0	0	114	F1065 K1086	F1065-D1067 PolarHBondContact O-N 3.39Å; F1065-D1067 VanDerWaalsContact O-N 3.1Å; D1067-K1086 WeakPolarHBondContact O-CD 3.24Å
1068	L	92.2	Very high	94.4	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-31.1	-177.2	-54.7	-176.4	0	0	0	112.9	F1065 K1086 A1089 A1102 P1116 I1121	F1065-L1068 PolarHBondContact O-N 3.34Å; L1068-K1086 WeakPolarHBondContact O-CB 3.4Å; L1068-K1086 PolarHBondContact O-N 3.29Å; L1068-A1089 HydrophobicContact CB-CB 4.46Å; L1068-A1089 HydrophobicContact CD2-CB 3.83Å; L1068-A1102 HydrophobicContact CD1-CB 3.58Å; L1068-P1116 HydrophobicContact CD1-CB 4.39Å; L1068-P1116 HydrophobicContact CD2-CG 4.31Å; L1068-I1121 HydrophobicContact CD1-CD1 3.8Å
1069	A	93.8	Very high	94.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	171	-172.4	0	0	0	0	0	113.3	F1065 F1071 V1083 L1084 W1085 K1086	F1065-A1069 PolarHBondContact O-N 2.92Å; A1069-F1071 HydrophobicContact CB-CD2 4.4Å; A1069-F1071 HydrophobicContact CB-CE2 3.72Å; A1069-F1071 HydrophobicContact CB-CZ 3.85Å; A1069-V1083 HydrophobicContact CB-CG1 3.72Å; A1069-L1084 CarbonylContact C-O 3.52Å; A1069-L1084 WeakPolarHBondContact CA-O 3.29Å; A1069-W1085 HydrophobicContact CB-CE3 3.8Å; A1069-W1085 HydrophobicContact CB-CZ3 3.9Å; A1069-K1086 WeakPolarHBondContact O-CE 3.35Å
1070	L	93.9	Very high	94.3	Very high	69 Å²	69	40.4 Å²	40.4	36%	0.361	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131	167.8	-64	173.3	0	0	0	108.7	F1072 V1083 L1084 K1086	L1070-F1072 HydrophobicContact CB-CD2 4.35Å; L1070-F1072 HydrophobicContact CB-CE2 3.43Å; L1070-F1072 VanDerWaalsContact CB-CE2 3.43Å; L1070-F1072 HydrophobicContact CB-CZ 3.76Å; L1070-F1072 HydrophobicContact CD1-CZ 4.23Å; L1070-V1083 WeakPolarHBondContact O-CA 3.44Å; L1070-L1084 PolarHBondContact N-O 3.29Å; L1070-L1084 PolarHBondContact O-N 3.33Å; L1070-K1086 VanDerWaalsContact CD2-CE 3.4Å; L1070-K1086 HydrophobicContact CG-CG 4.23Å
1071	F	95.7	Very high	94.3	Very high	8 Å²	8	36 Å²	36	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.6	-173.3	-63.1	-90.9	0	0	0	111.8	L1058 L1061 R1062 F1065 A1069 I1081 V1083 F1125	L1058-F1071 HydrophobicContact CD1-CB 3.59Å; L1061-F1071 HydrophobicContact CB-CD1 4.09Å; L1061-F1071 HydrophobicContact CB-CD2 4.47Å; L1061-F1071 HydrophobicContact CB-CE1 4.07Å; L1061-F1071 HydrophobicContact CB-CE2 4.45Å; L1061-F1071 HydrophobicContact CB-CG 4.31Å; L1061-F1071 HydrophobicContact CB-CZ 4.25Å; L1061-F1071 HydrophobicContact CD1-CD1 3.89Å; L1061-F1071 HydrophobicContact CD1-CE1 4.02Å; L1061-F1071 HydrophobicContact CD2-CE1 4.19Å; L1061-F1071 HydrophobicContact CG-CE1 4.35Å; L1061-F1071 WeakPolarHBondContact O-CE2 3.48Å; R1062-F1071 HydrophobicContact CG-CB 4.13Å; R1062-F1071 HydrophobicContact CG-CD2 4.11Å; R1062-F1071 HydrophobicContact CG-CG 4.48Å; R1062-F1071 PolarHBondContact NE-O 3.19Å; R1062-F1071 PolarHBondContact NH2-O 2.99Å; F1065-F1071 HydrophobicContact CB-CE2 3.81Å; F1065-F1071 HydrophobicContact CB-CZ 3.74Å; F1065-F1071 HydrophobicContact CG-CZ 4.49Å; A1069-F1071 HydrophobicContact CB-CD2 4.4Å; A1069-F1071 HydrophobicContact CB-CE2 3.72Å; A1069-F1071 HydrophobicContact CB-CZ 3.85Å; F1071-I1081 HydrophobicContact CB-CG2 4.39Å; F1071-I1081 HydrophobicContact CD1-CG2 4.43Å; F1071-V1083 HydrophobicContact CD1-CB 4.41Å; F1071-V1083 HydrophobicContact CD1-CG1 3.94Å; F1071-V1083 HydrophobicContact CD1-CG2 3.75Å; F1071-V1083 HydrophobicContact CE1-CB 4.44Å; F1071-V1083 HydrophobicContact CE1-CG1 3.69Å; F1071-V1083 HydrophobicContact CE1-CG2 3.85Å; F1071-V1083 HydrophobicContact CZ-CG1 4.16Å; F1071-F1125 AromaticContact CE1-CE1 3.81Å; F1071-F1125 HydrophobicContact CE1-CE1 3.81Å; F1071-F1125 HydrophobicContact CE1-CE2 4.3Å; F1071-F1125 AromaticContact CE1-CZ 3.59Å; F1071-F1125 HydrophobicContact CE1-CZ 3.59Å; F1071-F1125 AromaticContact CZ-CE1 3.78Å; F1071-F1125 HydrophobicContact CZ-CE1 3.78Å; F1071-F1125 AromaticContact CZ-CZ 3.71Å; F1071-F1125 HydrophobicContact CZ-CZ 3.71Å
1072	F	95.2	Very high	94.3	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137	-171.1	-56.7	-92	0	0	0	111.5	L863 M966 Y1005 L1070 I1081 S1082 L1084	L863-F1072 HydrophobicContact CB-CB 4.07Å; L863-F1072 HydrophobicContact CB-CD1 4.39Å; L863-F1072 HydrophobicContact CD1-CB 4.15Å; L863-F1072 HydrophobicContact CD2-CB 4.39Å; L863-F1072 HydrophobicContact CG-CB 4.43Å; L863-F1072 WeakPolarHBondContact O-CD1 3.37Å; M966-F1072 HydrophobicContact CE-CE1 3.87Å; M966-F1072 HydrophobicContact CE-CZ 4.27Å; Y1005-F1072 HydrophobicContact CD1-CD2 4.38Å; Y1005-F1072 HydrophobicContact CE1-CB 4.49Å; Y1005-F1072 AromaticContact CE1-CD2 3.51Å; Y1005-F1072 HydrophobicContact CE1-CD2 3.51Å; Y1005-F1072 AromaticContact CE1-CE2 3.85Å; Y1005-F1072 HydrophobicContact CE1-CE2 3.85Å; Y1005-F1072 HydrophobicContact CE1-CG 4.14Å; L1070-F1072 HydrophobicContact CB-CD2 4.35Å; L1070-F1072 HydrophobicContact CB-CE2 3.43Å; L1070-F1072 VanDerWaalsContact CB-CE2 3.43Å; L1070-F1072 HydrophobicContact CB-CZ 3.76Å; L1070-F1072 HydrophobicContact CD1-CZ 4.23Å; F1072-I1081 CarbonylContact O-C 3.56Å; F1072-I1081 WeakPolarHBondContact O-CA 3.36Å; F1072-I1081 WeakPolarHBondContact O-CG2 3.36Å; F1072-S1082 PolarHBondContact N-O 3.21Å; F1072-S1082 PolarHBondContact O-N 3.26Å; F1072-L1084 HydrophobicContact CE2-CB 4.3Å
1073	C	95.3	Very high	94.3	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.095	19%	0.188	C	C	.	.			trans	-148.4	149.9	173.8	-171.5	0	0	0	0	109.2	L863 L1058 P1075 I1081	L863-C1073 VanDerWaalsContact CD2-C 3.41Å; L1058-C1073 HydrophobicContact CD2-CB 4.04Å; C1073-P1075 WeakPolarHBondContact O-CD 3.32Å; C1073-I1081 HydrophobicContact CB-CG1 4.12Å
1074	D	95.4	Very high	94.3	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.08	17%	0.165	C	C	.	.			trans	-72.6	113.2	163.8	174.2	18.1	0	0	0	108.4	R857 Y1076 G1078	R857-D1074 IonicContact CZ-OD1 2.7Å; R857-D1074 IonicContact CZ-OD2 2.67Å; R857-D1074 VanDerWaalsContact NH1-CG 3.3Å; R857-D1074 IonicContact NH1-OD1 3.01Å; R857-D1074 PolarHBondContact NH1-OD1 3.41Å; R857-D1074 IonicContact NH1-OD2 2.69Å; R857-D1074 PolarHBondContact NH1-OD2 3.14Å; R857-D1074 IonicContact NH2-OD1 3.65Å; R857-D1074 IonicContact NH2-OD2 3.9Å; R857-D1074 PolarHBondContact NH2-OD2 3.39Å; D1074-Y1076 PolarHBondContact O-N 3.4Å; D1074-Y1076 PolarHBondContact OD1-N 2.94Å; D1074-G1078 WeakPolarHBondContact O-CA 3.41Å; D1074-G1078 PolarHBondContact O-N 2.86Å
1075	P	94.1	Very high	94.3	Very high	45 Å²	45	25.7 Å²	25.7	29%	0.292	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.2	179.1	24.2	-35.2	0	0	0	112.9	A860 L1018 C1073 G1077	A860-P1075 HydrophobicContact CB-CG 4.04Å; L1018-P1075 WeakPolarHBondContact CD1-O 3.2Å; C1073-P1075 WeakPolarHBondContact O-CD 3.32Å; P1075-G1077 VanDerWaalsContact C-N 3.25Å; P1075-G1077 PolarHBondContact O-N 2.86Å
1076	Y	93.7	Very high	94.1	Very high	26 Å²	26	28.4 Å²	28.4	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	55.2	-174.9	-58.3	-62.2	0	0	0	112.8	V695 F696 R857 A860 E870 H1021 A1022 D1074	V695-Y1076 HydrophobicContact CB-CD1 4.48Å; V695-Y1076 HydrophobicContact CB-CD2 4.44Å; V695-Y1076 HydrophobicContact CB-CE1 3.96Å; V695-Y1076 HydrophobicContact CB-CE2 3.9Å; V695-Y1076 HydrophobicContact CG1-CD2 4.29Å; V695-Y1076 HydrophobicContact CG1-CE2 4.16Å; V695-Y1076 HydrophobicContact CG2-CE1 4.3Å; V695-Y1076 HydrophobicContact CG2-CE2 3.61Å; V695-Y1076 VanDerWaalsContact CG2-CZ 3.49Å; V695-Y1076 WeakPolarHBondContact CG2-OH 3.4Å; F696-Y1076 AromaticContact CD2-CD1 3.67Å; F696-Y1076 HydrophobicContact CD2-CD1 3.67Å; F696-Y1076 HydrophobicContact CD2-CE1 4.3Å; F696-Y1076 HydrophobicContact CD2-CG 4.03Å; F696-Y1076 HydrophobicContact CE2-CD1 4.04Å; F696-Y1076 AromaticContact CE2-CG 3.89Å; F696-Y1076 HydrophobicContact CE2-CG 3.89Å; R857-Y1076 PolarHBondContact NH2-O 2.84Å; A860-Y1076 HydrophobicContact CB-CD2 3.55Å; A860-Y1076 HydrophobicContact CB-CE2 3.65Å; E870-Y1076 PolarHBondContact OE1-OH 2.89Å; H1021-Y1076 CarbonylContact C-O 3.45Å; H1021-Y1076 VanDerWaalsContact O-O 3.14Å; A1022-Y1076 WeakPolarHBondContact CA-O 3.41Å; A1022-Y1076 PolarHBondContact N-O 3.23Å; A1022-Y1076 VanDerWaalsContact N-O 3.16Å; D1074-Y1076 PolarHBondContact O-N 3.4Å; D1074-Y1076 PolarHBondContact OD1-N 2.94Å
1077	G	92.2	Very high	93.9	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	14.9	174.8	0	0	0	0	0	115.4	L1018 P1075 T1079	L1018-G1077 WeakPolarHBondContact O-CA 3.43Å; P1075-G1077 VanDerWaalsContact C-N 3.25Å; P1075-G1077 PolarHBondContact O-N 2.86Å; G1077-T1079 PolarHBondContact O-N 2.93Å
1078	G	93.4	Very high	93.7	Very high	12 Å²	12	35 Å²	35	12%	0.124	19%	0.186	C	C	.	.			trans	-52.8	136.8	173.6	0	0	0	0	0	112.6	D1074	D1074-G1078 WeakPolarHBondContact O-CA 3.41Å; D1074-G1078 PolarHBondContact O-N 2.86Å
1079	T	94.3	Very high	93.4	Very high	51 Å²	51	34.9 Å²	34.9	31%	0.313	19%	0.186	S	C	.	.	S	Bend	trans	-106	5.9	-178.9	52.5	0	0	0	0	113.2	L1011 P1013 V1016 L1019 G1077	L1011-T1079 WeakPolarHBondContact CB-O 3.45Å; L1011-T1079 PolarHBondContact N-O 3.27Å; P1013-T1079 HydrophobicContact CG-CG2 4.49Å; V1016-T1079 HydrophobicContact CG2-CG2 4.46Å; L1019-T1079 HydrophobicContact CD1-CG2 3.49Å; L1019-T1079 VanDerWaalsContact CD1-CG2 3.49Å; G1077-T1079 PolarHBondContact O-N 2.93Å
1080	V	95.7	Very high	93.1	Very high	25 Å²	25	36 Å²	36	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.5	179.8	-174.2	0	0	0	0	109.4	L1008 I1009 Y1010	L1008-V1080 HydrophobicContact CB-CG1 3.9Å; L1008-V1080 HydrophobicContact CD1-CG1 4.41Å; L1008-V1080 HydrophobicContact CD2-CG1 4.03Å; L1008-V1080 HydrophobicContact CG-CG1 4.33Å; I1009-V1080 WeakPolarHBondContact O-CA 3.46Å; Y1010-V1080 HydrophobicContact CD1-CG2 3.64Å; Y1010-V1080 HydrophobicContact CE1-CG2 3.66Å
1081	I	97.3	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.7	163.2	-51.9	178.4	0	0	0	107	I1009 L1011 Y1057 L1058 L1061 F1071 F1072 C1073	I1009-I1081 HydrophobicContact CB-CB 4.18Å; I1009-I1081 PolarHBondContact N-O 2.94Å; I1009-I1081 PolarHBondContact O-N 3.5Å; L1011-I1081 HydrophobicContact CD1-CG1 4.15Å; L1011-I1081 HydrophobicContact CD2-CD1 4.24Å; L1011-I1081 HydrophobicContact CD2-CG1 4.29Å; L1011-I1081 HydrophobicContact CG-CG1 4.5Å; Y1057-I1081 HydrophobicContact CD1-CD1 3.75Å; Y1057-I1081 HydrophobicContact CE1-CD1 3.78Å; L1058-I1081 HydrophobicContact CB-CD1 4.47Å; L1058-I1081 HydrophobicContact CD1-CD1 4.41Å; L1058-I1081 HydrophobicContact CD1-CG2 3.9Å; L1061-I1081 HydrophobicContact CD1-CD1 4.2Å; F1071-I1081 HydrophobicContact CB-CG2 4.39Å; F1071-I1081 HydrophobicContact CD1-CG2 4.43Å; F1072-I1081 CarbonylContact O-C 3.56Å; F1072-I1081 WeakPolarHBondContact O-CA 3.36Å; F1072-I1081 WeakPolarHBondContact O-CG2 3.36Å; C1073-I1081 HydrophobicContact CB-CG1 4.12Å
1082	S	96.5	Very high	92.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.2	178.9	-51.2	0	0	0	0	109.7	F1072	F1072-S1082 PolarHBondContact N-O 3.21Å; F1072-S1082 PolarHBondContact O-N 3.26Å
1083	V	96.1	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135	-174.4	-165.7	0	0	0	0	110.2	D1006 V1007 I1009 A1069 L1070 F1071 F1125	D1006-V1083 PolarHBondContact N-O 2.95Å; V1007-V1083 HydrophobicContact CB-CB 4.06Å; V1007-V1083 HydrophobicContact CB-CG2 4.35Å; V1007-V1083 PolarHBondContact N-O 2.85Å; V1007-V1083 PolarHBondContact O-N 3.38Å; I1009-V1083 HydrophobicContact CD1-CG2 3.9Å; I1009-V1083 HydrophobicContact CG1-CG2 4.15Å; A1069-V1083 HydrophobicContact CB-CG1 3.72Å; L1070-V1083 WeakPolarHBondContact O-CA 3.44Å; F1071-V1083 HydrophobicContact CD1-CB 4.41Å; F1071-V1083 HydrophobicContact CD1-CG1 3.94Å; F1071-V1083 HydrophobicContact CD1-CG2 3.75Å; F1071-V1083 HydrophobicContact CE1-CB 4.44Å; F1071-V1083 HydrophobicContact CE1-CG1 3.69Å; F1071-V1083 HydrophobicContact CE1-CG2 3.85Å; F1071-V1083 HydrophobicContact CZ-CG1 4.16Å; V1083-F1125 HydrophobicContact CG2-CE2 4.41Å
1084	L	93.4	Very high	91.5	Very high	51 Å²	51	44.7 Å²	44.7	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	175.5	-171.9	73.6	0	0	0	109.3	A1004 Y1005 A1069 L1070 F1072	A1004-L1084 WeakPolarHBondContact O-CD1 3.45Å; Y1005-L1084 HydrophobicContact CD1-CB 4.13Å; Y1005-L1084 HydrophobicContact CE1-CB 4.49Å; A1069-L1084 CarbonylContact C-O 3.52Å; A1069-L1084 WeakPolarHBondContact CA-O 3.29Å; L1070-L1084 PolarHBondContact N-O 3.29Å; L1070-L1084 PolarHBondContact O-N 3.33Å; F1072-L1084 HydrophobicContact CE2-CB 4.3Å
1085	W	92.8	Very high	91.1	Very high	15 Å²	15	48.4 Å²	48.4	6%	0.057	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.2	178.6	-67	126.1	0	0	0	111.2	D1006 V1007 A1069 P1087 F1090 V1118 I1121 F1125 W1143	D1006-W1085 HydrophobicContact CB-CG 4.23Å; D1006-W1085 PolarHBondContact OD2-N 2.97Å; V1007-W1085 HydrophobicContact CG2-CZ2 3.78Å; A1069-W1085 HydrophobicContact CB-CE3 3.8Å; A1069-W1085 HydrophobicContact CB-CZ3 3.9Å; W1085-P1087 VanDerWaalsContact O-CD 3.28Å; W1085-P1087 WeakPolarHBondContact O-CD 3.33Å; W1085-F1090 HydrophobicContact CB-CD2 4.26Å; W1085-F1090 HydrophobicContact CB-CE2 3.64Å; W1085-F1090 HydrophobicContact CB-CZ 4.23Å; W1085-F1090 AromaticContact CD2-CE2 3.82Å; W1085-F1090 HydrophobicContact CD2-CE2 3.82Å; W1085-F1090 AromaticContact CD2-CZ 3.61Å; W1085-F1090 HydrophobicContact CD2-CZ 3.61Å; W1085-F1090 AromaticContact CE3-CE2 3.75Å; W1085-F1090 HydrophobicContact CE3-CE2 3.75Å; W1085-F1090 AromaticContact CE3-CZ 3.65Å; W1085-F1090 HydrophobicContact CE3-CZ 3.65Å; W1085-F1090 AromaticContact CG-CE2 3.78Å; W1085-F1090 HydrophobicContact CG-CE2 3.78Å; W1085-F1090 AromaticContact CG-CZ 3.87Å; W1085-F1090 HydrophobicContact CG-CZ 3.87Å; W1085-F1090 HydrophobicContact CZ3-CZ 4.28Å; W1085-V1118 HydrophobicContact CZ2-CG1 3.88Å; W1085-I1121 HydrophobicContact CH2-CB 4.46Å; W1085-I1121 HydrophobicContact CH2-CG2 3.8Å; W1085-I1121 HydrophobicContact CZ3-CG2 4.3Å; W1085-F1125 HydrophobicContact CH2-CE2 4.48Å; W1085-F1125 HydrophobicContact CH2-CZ 4.27Å; W1085-W1143 AromaticContact CD1-CE3 3.55Å; W1085-W1143 AromaticContact CD1-CZ3 3.82Å; W1085-W1143 AromaticContact NE1-CE3 3.15Å; W1085-W1143 AromaticContact NE1-CZ3 3.19Å
1086	K	91.4	Very high	90.8	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.291	28%	0.279	S	S	.	.			trans	-79.2	113.4	172.8	-70.6	177.5	169.5	-175.3	0	108.7	G1066 D1067 L1068 A1069 L1070 K1088 A1089	G1066-K1086 VanDerWaalsContact O-CE 3.29Å; G1066-K1086 WeakPolarHBondContact O-CE 3.19Å; G1066-K1086 PolarHBondContact O-NZ 2.97Å; D1067-K1086 WeakPolarHBondContact O-CD 3.24Å; L1068-K1086 WeakPolarHBondContact O-CB 3.4Å; L1068-K1086 PolarHBondContact O-N 3.29Å; A1069-K1086 WeakPolarHBondContact O-CE 3.35Å; L1070-K1086 VanDerWaalsContact CD2-CE 3.4Å; L1070-K1086 HydrophobicContact CG-CG 4.23Å; K1086-K1088 PolarHBondContact O-N 3.4Å; K1086-A1089 HydrophobicContact CB-CB 4.29Å; K1086-A1089 VanDerWaalsContact O-CB 3.28Å; K1086-A1089 WeakPolarHBondContact O-CB 3.45Å; K1086-A1089 PolarHBondContact O-N 2.96Å
1087	P	88.2	Confident	90.4	Very high	113 Å²	113	56 Å²	56	73%	0.734	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.1	-32.1	-171.5	-27.3	36.5	0	0	0	114	W1085 A1089 F1090	W1085-P1087 VanDerWaalsContact O-CD 3.28Å; W1085-P1087 WeakPolarHBondContact O-CD 3.33Å; P1087-A1089 PolarHBondContact O-N 3.33Å; P1087-F1090 PolarHBondContact O-N 3.22Å
1088	K	87.1	Confident	90	Very high	194 Å²	194	60.1 Å²	60.1	84%	0.843	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24	175.3	-67.9	-175.4	177.1	-178.6	0	114.1	K1086 F1090	K1086-K1088 PolarHBondContact O-N 3.4Å; K1088-F1090 VanDerWaalsContact C-N 3.32Å
1089	A	86.8	Confident	89.4	Confident	8 Å²	8	64.3 Å²	64.3	7%	0.066	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-73.2	-26.8	179.2	0	0	0	0	0	112.5	L1068 K1086 P1087 R1103 P1116	L1068-A1089 HydrophobicContact CB-CB 4.46Å; L1068-A1089 HydrophobicContact CD2-CB 3.83Å; K1086-A1089 HydrophobicContact CB-CB 4.29Å; K1086-A1089 VanDerWaalsContact O-CB 3.28Å; K1086-A1089 WeakPolarHBondContact O-CB 3.45Å; K1086-A1089 PolarHBondContact O-N 2.96Å; P1087-A1089 PolarHBondContact O-N 3.33Å; A1089-R1103 PolarHBondContact O-NH2 3.12Å; A1089-P1116 WeakPolarHBondContact O-CD 3.24Å; A1089-P1116 WeakPolarHBondContact O-CG 3.48Å
1090	F	86.6	Confident	89	Confident	25 Å²	25	64.4 Å²	64.4	11%	0.11	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-89.9	-3.3	-176.2	-72.3	-94.2	0	0	0	113.7	W1085 P1087 K1088 P1092 P1116 V1118 W1143	W1085-F1090 HydrophobicContact CB-CD2 4.26Å; W1085-F1090 HydrophobicContact CB-CE2 3.64Å; W1085-F1090 HydrophobicContact CB-CZ 4.23Å; W1085-F1090 AromaticContact CD2-CE2 3.82Å; W1085-F1090 HydrophobicContact CD2-CE2 3.82Å; W1085-F1090 AromaticContact CD2-CZ 3.61Å; W1085-F1090 HydrophobicContact CD2-CZ 3.61Å; W1085-F1090 AromaticContact CE3-CE2 3.75Å; W1085-F1090 HydrophobicContact CE3-CE2 3.75Å; W1085-F1090 AromaticContact CE3-CZ 3.65Å; W1085-F1090 HydrophobicContact CE3-CZ 3.65Å; W1085-F1090 AromaticContact CG-CE2 3.78Å; W1085-F1090 HydrophobicContact CG-CE2 3.78Å; W1085-F1090 AromaticContact CG-CZ 3.87Å; W1085-F1090 HydrophobicContact CG-CZ 3.87Å; W1085-F1090 HydrophobicContact CZ3-CZ 4.28Å; P1087-F1090 PolarHBondContact O-N 3.22Å; K1088-F1090 VanDerWaalsContact C-N 3.32Å; F1090-P1092 WeakPolarHBondContact O-CD 3.45Å; F1090-P1116 HydrophobicContact CD1-CB 4.3Å; F1090-P1116 HydrophobicContact CD1-CG 3.87Å; F1090-P1116 HydrophobicContact CD2-CG 4.27Å; F1090-P1116 HydrophobicContact CE1-CB 3.75Å; F1090-P1116 HydrophobicContact CE1-CG 3.79Å; F1090-P1116 HydrophobicContact CE2-CG 4.17Å; F1090-P1116 HydrophobicContact CG-CG 4.11Å; F1090-P1116 HydrophobicContact CZ-CB 3.89Å; F1090-P1116 HydrophobicContact CZ-CG 3.94Å; F1090-V1118 HydrophobicContact CE1-CG2 3.56Å; F1090-V1118 HydrophobicContact CZ-CG2 4.07Å; F1090-W1143 HydrophobicContact CD1-CB 3.73Å; F1090-W1143 HydrophobicContact CE1-CB 3.54Å; F1090-W1143 HydrophobicContact CZ-CB 4.44Å
1091	V	87	Confident	88.5	Confident	93 Å²	93	67 Å²	67	56%	0.564	38%	0.376	S	S	*	.	S	Bend	trans	-68.9	126.5	169.7	-178	0	0	0	0	109	A1093	V1091-A1093 PolarHBondContact O-N 3.28Å
1092	P	86.6	Confident	88	Confident	72 Å²	72	68.2 Å²	68.2	47%	0.468	39%	0.385	S	S	.	.			trans	-58	122.3	178.7	-26.4	35	0	0	0	112.1	F1090 K1113 I1115	F1090-P1092 WeakPolarHBondContact O-CD 3.45Å; P1092-K1113 HydrophobicContact CB-CB 4.35Å; P1092-K1113 HydrophobicContact CB-CD 4.31Å; P1092-I1115 HydrophobicContact CB-CG2 4.06Å; P1092-I1115 HydrophobicContact CG-CG2 3.96Å
1093	A	85.4	Confident	87.6	Confident	29 Å²	29	70.3 Å²	70.3	24%	0.24	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.3	-177	0	0	0	0	0	111.2	V1091 K1113 T1114	V1091-A1093 PolarHBondContact O-N 3.28Å; A1093-K1113 CarbonylContact O-C 3.35Å; A1093-K1113 WeakPolarHBondContact O-CA 3.29Å; A1093-T1114 PolarHBondContact N-O 3.36Å; A1093-T1114 PolarHBondContact O-N 2.99Å; A1093-T1114 PolarHBondContact O-OG1 2.88Å
1094	P	87.4	Confident	87.3	Confident	93 Å²	93	72.1 Å²	72.1	60%	0.604	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	141.3	176.9	27.2	-35.1	0	0	0	111	K1096	P1094-K1096 PolarHBondContact O-N 2.93Å
1095	F	87.6	Confident	87	Confident	94 Å²	94	72.9 Å²	72.9	41%	0.412	41%	0.412	S	S	.	.			trans	-55.7	128.4	-174.4	174.8	-90.2	0	0	0	113.7	T1097 M1100 V1105 V1112 T1114	F1095-T1097 HydrophobicContact CE1-CG2 4.16Å; F1095-T1097 HydrophobicContact CZ-CG2 4.15Å; F1095-M1100 HydrophobicContact CD2-SD 3.73Å; F1095-M1100 HydrophobicContact CE2-CG 4.14Å; F1095-M1100 HydrophobicContact CE2-SD 3.39Å; F1095-M1100 WeakPolarHBondContact CE2-SD 3.37Å; F1095-M1100 HydrophobicContact CZ-SD 4.44Å; F1095-V1105 HydrophobicContact CD2-CG1 4.27Å; F1095-V1105 HydrophobicContact CD2-CG2 3.89Å; F1095-V1105 HydrophobicContact CE2-CG2 3.99Å; F1095-V1112 HydrophobicContact CB-CB 4.22Å; F1095-V1112 HydrophobicContact CB-CG1 3.73Å; F1095-V1112 HydrophobicContact CD2-CG1 4.42Å; F1095-V1112 HydrophobicContact CG-CG1 4.19Å; F1095-V1112 PolarHBondContact N-O 3.42Å; F1095-T1114 HydrophobicContact CB-CG2 4.03Å; F1095-T1114 HydrophobicContact CD2-CG2 4Å; F1095-T1114 HydrophobicContact CG-CG2 4.48Å
1096	K	86.9	Confident	86.6	Confident	111 Å²	111	76.4 Å²	76.4	48%	0.483	43%	0.429	S	S	.	.			trans	-143.5	130.4	171.7	-67.6	-176.2	179.1	-178.4	0	109	P1094 S1098 H1099	P1094-K1096 PolarHBondContact O-N 2.93Å; K1096-S1098 PolarHBondContact O-N 2.89Å; K1096-H1099 HydrophobicContact CB-CB 4.42Å; K1096-H1099 PolarHBondContact O-N 3.03Å
1097	T	85	Confident	86.2	Confident	118 Å²	118	78 Å²	78	72%	0.724	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.7	179.9	48.4	0	0	0	0	113.3	F1095 H1099	F1095-T1097 HydrophobicContact CE1-CG2 4.16Å; F1095-T1097 HydrophobicContact CZ-CG2 4.15Å; T1097-H1099 PolarHBondContact O-N 3.42Å
1098	S	84.8	Confident	85.8	Confident	90 Å²	90	76.3 Å²	76.3	63%	0.629	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.1	175.3	57.5	0	0	0	0	114.4	K1096	K1096-S1098 PolarHBondContact O-N 2.89Å
1099	H	80.7	Confident	85.5	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.458	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-115.7	33.8	-175.1	-57	172.9	0	0	0	111.8	K1096 T1097 R1103	K1096-H1099 HydrophobicContact CB-CB 4.42Å; K1096-H1099 PolarHBondContact O-N 3.03Å; T1097-H1099 PolarHBondContact O-N 3.42Å; H1099-R1103 WeakPolarHBondContact O-CD 3.22Å
1100	M	85.8	Confident	85.1	Confident	53 Å²	53	79.7 Å²	79.7	26%	0.261	47%	0.469	S	S	.	.			trans	-100.6	-3.2	-178.4	-69.9	-85.5	68	0	0	115.1	F1095 A1102 R1103 V1105 T1114	F1095-M1100 HydrophobicContact CD2-SD 3.73Å; F1095-M1100 HydrophobicContact CE2-CG 4.14Å; F1095-M1100 HydrophobicContact CE2-SD 3.39Å; F1095-M1100 WeakPolarHBondContact CE2-SD 3.37Å; F1095-M1100 HydrophobicContact CZ-SD 4.44Å; M1100-A1102 PolarHBondContact O-N 3.05Å; M1100-R1103 HydrophobicContact CE-CB 3.68Å; M1100-V1105 HydrophobicContact CE-CG2 3.88Å; M1100-V1105 HydrophobicContact SD-CG2 3.55Å; M1100-V1105 VanDerWaalsContact SD-CG2 3.55Å; M1100-T1114 HydrophobicContact CE-CG2 3.51Å; M1100-T1114 HydrophobicContact SD-CG2 4.42Å
1101	A	84.5	Confident	84.7	Confident	80 Å²	80	83.9 Å²	83.9	66%	0.661	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.3	168.7	0	0	0	0	0	110.2	R1103	A1101-R1103 PolarHBondContact O-N 2.92Å
1102	A	87.3	Confident	84.6	Confident	25 Å²	25	82.4 Å²	82.4	21%	0.207	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	25.1	175.8	0	0	0	0	0	115.8	F1065 L1068 M1100 P1116 N1117 I1121	F1065-A1102 HydrophobicContact CD1-CB 3.94Å; F1065-A1102 HydrophobicContact CE1-CB 3.79Å; L1068-A1102 HydrophobicContact CD1-CB 3.58Å; M1100-A1102 PolarHBondContact O-N 3.05Å; A1102-P1116 WeakPolarHBondContact O-CA 3.49Å; A1102-N1117 PolarHBondContact O-N 3.21Å; A1102-I1121 HydrophobicContact CB-CD1 4.06Å; A1102-I1121 HydrophobicContact CB-CG1 3.85Å
1103	R	88.9	Confident	84.6	Confident	47 Å²	47	82.1 Å²	82.1	18%	0.177	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141	-176.2	-77.9	170.2	170.5	-86	-9.8	112.5	A1089 H1099 M1100 A1101 T1114 I1115	A1089-R1103 PolarHBondContact O-NH2 3.12Å; H1099-R1103 WeakPolarHBondContact O-CD 3.22Å; M1100-R1103 HydrophobicContact CE-CB 3.68Å; A1101-R1103 PolarHBondContact O-N 2.92Å; R1103-T1114 PolarHBondContact NH1-O 3.3Å; R1103-I1115 CarbonylContact C-O 3.59Å; R1103-I1115 WeakPolarHBondContact CA-O 3.48Å; R1103-I1115 WeakPolarHBondContact CB-O 3.46Å; R1103-I1115 WeakPolarHBondContact CG-O 3.47Å
1104	S	88.5	Confident	84.7	Confident	38 Å²	38	80.8 Å²	80.8	27%	0.266	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	166.3	168.1	50.9	0	0	0	0	110.9	T1114 I1115	S1104-T1114 VanDerWaalsContact O-CA 3.3Å; S1104-T1114 WeakPolarHBondContact O-CA 3.01Å; S1104-I1115 PolarHBondContact N-O 2.69Å; S1104-I1115 PolarHBondContact O-N 3.31Å; S1104-I1115 WeakPolarHBondContact OG-CG1 3.3Å; S1104-I1115 PolarHBondContact OG-O 3.46Å
1105	V	87.5	Confident	84.8	Confident	66 Å²	66	78.3 Å²	78.3	40%	0.4	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.2	176	-176.1	0	0	0	0	108.9	F1095 M1100 V1107 V1112 K1113 T1114	F1095-V1105 HydrophobicContact CD2-CG1 4.27Å; F1095-V1105 HydrophobicContact CD2-CG2 3.89Å; F1095-V1105 HydrophobicContact CE2-CG2 3.99Å; M1100-V1105 HydrophobicContact CE-CG2 3.88Å; M1100-V1105 HydrophobicContact SD-CG2 3.55Å; M1100-V1105 VanDerWaalsContact SD-CG2 3.55Å; V1105-V1107 HydrophobicContact CG1-CG2 4.46Å; V1105-V1112 HydrophobicContact CG1-CG1 3.43Å; V1105-V1112 VanDerWaalsContact CG1-CG1 3.43Å; V1105-K1113 WeakPolarHBondContact CA-O 3.42Å; V1105-T1114 HydrophobicContact CG2-CG2 4.34Å
1106	E	84	Confident	84.9	Confident	89 Å²	89	74.2 Å²	74.2	42%	0.416	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	173.8	-63	-173.3	136.5	0	0	109.6	V1112 K1113 I1115	E1106-V1112 WeakPolarHBondContact O-CA 3.44Å; E1106-K1113 PolarHBondContact N-O 3.04Å; E1106-K1113 PolarHBondContact O-N 3.21Å; E1106-I1115 HydrophobicContact CG-CD1 4.29Å; E1106-I1115 HydrophobicContact CG-CG1 4.39Å; E1106-I1115 WeakPolarHBondContact OE1-CD1 3.25Å
1107	V	84.3	Confident	85.1	Confident	102 Å²	102	71.8 Å²	71.8	62%	0.618	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.5	-179.5	-176.6	0	0	0	0	108.6	V1105 V1112	V1105-V1107 HydrophobicContact CG1-CG2 4.46Å; V1107-V1112 HydrophobicContact CG2-CG1 4.38Å
1108	T	79	Confident	85.4	Confident	77 Å²	77	66.7 Å²	66.7	47%	0.472	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	89.9	-177.1	42	0	0	0	0	109.4	E1110 E1111	T1108-E1110 PolarHBondContact O-N 2.93Å; T1108-E1111 PolarHBondContact N-O 3.45Å; T1108-E1111 PolarHBondContact O-N 2.87Å; T1108-E1111 VanDerWaalsContact O-N 3.08Å; T1108-E1111 PolarHBondContact OG1-O 3.27Å
1109	G	81.1	Confident	85.7	Confident	72 Å²	72	70.3 Å²	70.3	74%	0.742	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-119.8	-168.9	0	0	0	0	0	110.6
1110	E	77.9	Confident	86.3	Confident	200 Å²	200	67.3 Å²	67.3	94%	0.935	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.4	174.8	-60.8	-173.9	163.4	0	0	113.2	T1108	T1108-E1110 PolarHBondContact O-N 2.93Å
1111	E	78.2	Confident	86.7	Confident	114 Å²	114	64.8 Å²	64.8	53%	0.533	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118	-178.5	-64.9	-165.5	151.2	0	0	112.3	T1108 K1113	T1108-E1111 PolarHBondContact N-O 3.45Å; T1108-E1111 PolarHBondContact O-N 2.87Å; T1108-E1111 VanDerWaalsContact O-N 3.08Å; T1108-E1111 PolarHBondContact OG1-O 3.27Å; E1111-K1113 WeakPolarHBondContact OE2-CE 3.35Å; E1111-K1113 IonicContact OE2-NZ 3.43Å; E1111-K1113 PolarHBondContact OE2-NZ 3.39Å
1112	V	84.8	Confident	87.2	Confident	61 Å²	61	61.9 Å²	61.9	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.7	175.7	-169.4	0	0	0	0	110.3	F1095 V1105 E1106 V1107	F1095-V1112 HydrophobicContact CB-CB 4.22Å; F1095-V1112 HydrophobicContact CB-CG1 3.73Å; F1095-V1112 HydrophobicContact CD2-CG1 4.42Å; F1095-V1112 HydrophobicContact CG-CG1 4.19Å; F1095-V1112 PolarHBondContact N-O 3.42Å; V1105-V1112 HydrophobicContact CG1-CG1 3.43Å; V1105-V1112 VanDerWaalsContact CG1-CG1 3.43Å; E1106-V1112 WeakPolarHBondContact O-CA 3.44Å; V1107-V1112 HydrophobicContact CG2-CG1 4.38Å
1113	K	87.3	Confident	87.6	Confident	67 Å²	67	65 Å²	65	29%	0.291	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	165.5	-176.6	-71.4	165.3	-175.6	153.8	0	111.1	P1092 A1093 V1105 E1106 E1111	P1092-K1113 HydrophobicContact CB-CB 4.35Å; P1092-K1113 HydrophobicContact CB-CD 4.31Å; A1093-K1113 CarbonylContact O-C 3.35Å; A1093-K1113 WeakPolarHBondContact O-CA 3.29Å; V1105-K1113 WeakPolarHBondContact CA-O 3.42Å; E1106-K1113 PolarHBondContact N-O 3.04Å; E1106-K1113 PolarHBondContact O-N 3.21Å; E1111-K1113 WeakPolarHBondContact OE2-CE 3.35Å; E1111-K1113 IonicContact OE2-NZ 3.43Å; E1111-K1113 PolarHBondContact OE2-NZ 3.39Å
1114	T	88.1	Confident	88	Confident	1 Å²	1	66 Å²	66	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	134.2	-176.9	64.3	0	0	0	0	111.2	A1093 F1095 M1100 R1103 S1104 V1105	A1093-T1114 PolarHBondContact N-O 3.36Å; A1093-T1114 PolarHBondContact O-N 2.99Å; A1093-T1114 PolarHBondContact O-OG1 2.88Å; F1095-T1114 HydrophobicContact CB-CG2 4.03Å; F1095-T1114 HydrophobicContact CD2-CG2 4Å; F1095-T1114 HydrophobicContact CG-CG2 4.48Å; M1100-T1114 HydrophobicContact CE-CG2 3.51Å; M1100-T1114 HydrophobicContact SD-CG2 4.42Å; R1103-T1114 PolarHBondContact NH1-O 3.3Å; S1104-T1114 VanDerWaalsContact O-CA 3.3Å; S1104-T1114 WeakPolarHBondContact O-CA 3.01Å; V1105-T1114 HydrophobicContact CG2-CG2 4.34Å
1115	I	88.3	Confident	88.4	Confident	41 Å²	41	64.1 Å²	64.1	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.2	-178.7	57.9	170.1	0	0	0	110.1	P1092 R1103 S1104 E1106 N1117	P1092-I1115 HydrophobicContact CB-CG2 4.06Å; P1092-I1115 HydrophobicContact CG-CG2 3.96Å; R1103-I1115 CarbonylContact C-O 3.59Å; R1103-I1115 WeakPolarHBondContact CA-O 3.48Å; R1103-I1115 WeakPolarHBondContact CB-O 3.46Å; R1103-I1115 WeakPolarHBondContact CG-O 3.47Å; S1104-I1115 PolarHBondContact N-O 2.69Å; S1104-I1115 PolarHBondContact O-N 3.31Å; S1104-I1115 WeakPolarHBondContact OG-CG1 3.3Å; S1104-I1115 PolarHBondContact OG-O 3.46Å; E1106-I1115 HydrophobicContact CG-CD1 4.29Å; E1106-I1115 HydrophobicContact CG-CG1 4.39Å; E1106-I1115 WeakPolarHBondContact OE1-CD1 3.25Å; I1115-N1117 PolarHBondContact O-N 3.01Å
1116	P	90.5	Very high	88.8	Confident	7 Å²	7	65.6 Å²	65.6	5%	0.045	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.4	175.6	-22.3	35.2	0	0	0	111.8	L1068 A1089 F1090 A1102 V1118 I1121	L1068-P1116 HydrophobicContact CD1-CB 4.39Å; L1068-P1116 HydrophobicContact CD2-CG 4.31Å; A1089-P1116 WeakPolarHBondContact O-CD 3.24Å; A1089-P1116 WeakPolarHBondContact O-CG 3.48Å; F1090-P1116 HydrophobicContact CD1-CB 4.3Å; F1090-P1116 HydrophobicContact CD1-CG 3.87Å; F1090-P1116 HydrophobicContact CD2-CG 4.27Å; F1090-P1116 HydrophobicContact CE1-CB 3.75Å; F1090-P1116 HydrophobicContact CE1-CG 3.79Å; F1090-P1116 HydrophobicContact CE2-CG 4.17Å; F1090-P1116 HydrophobicContact CG-CG 4.11Å; F1090-P1116 HydrophobicContact CZ-CB 3.89Å; F1090-P1116 HydrophobicContact CZ-CG 3.94Å; A1102-P1116 WeakPolarHBondContact O-CA 3.49Å; P1116-V1118 PolarHBondContact O-N 3.17Å; P1116-V1118 VanDerWaalsContact O-N 3.17Å; P1116-I1121 HydrophobicContact CB-CD1 4.13Å
1117	N	91.6	Very high	89.4	Confident	60 Å²	60	65.5 Å²	65.5	32%	0.321	36%	0.355	S	S	.	.			trans	-85.8	87.1	176.3	-176.6	-10.1	0	0	0	109.7	A1102 I1115 E1119 A1120 I1121	A1102-N1117 PolarHBondContact O-N 3.21Å; I1115-N1117 PolarHBondContact O-N 3.01Å; N1117-E1119 PolarHBondContact O-N 2.97Å; N1117-A1120 HydrophobicContact CB-CB 4.15Å; N1117-A1120 PolarHBondContact O-N 3.22Å; N1117-A1120 PolarHBondContact OD1-N 2.96Å; N1117-I1121 WeakPolarHBondContact O-CD1 3.38Å; N1117-I1121 VanDerWaalsContact O-CG1 3.25Å; N1117-I1121 WeakPolarHBondContact O-CG1 3.1Å; N1117-I1121 PolarHBondContact O-N 3.49Å
1118	V	91.3	Very high	89.9	Confident	11 Å²	11	64 Å²	64	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-39.3	-171.9	-176.6	0	0	0	0	112.8	W1085 F1090 P1116 A1120 I1121 L1122 W1143	W1085-V1118 HydrophobicContact CZ2-CG1 3.88Å; F1090-V1118 HydrophobicContact CE1-CG2 3.56Å; F1090-V1118 HydrophobicContact CZ-CG2 4.07Å; P1116-V1118 PolarHBondContact O-N 3.17Å; P1116-V1118 VanDerWaalsContact O-N 3.17Å; V1118-A1120 VanDerWaalsContact C-N 3.34Å; V1118-A1120 PolarHBondContact O-N 2.97Å; V1118-I1121 PolarHBondContact O-N 2.88Å; V1118-L1122 HydrophobicContact CG1-CD1 3.83Å; V1118-L1122 HydrophobicContact CG1-CG 4.03Å; V1118-L1122 WeakPolarHBondContact O-CB 3.12Å; V1118-L1122 VanDerWaalsContact O-CG 3.24Å; V1118-L1122 WeakPolarHBondContact O-CG 3.06Å; V1118-L1122 PolarHBondContact O-N 3.2Å; V1118-W1143 HydrophobicContact CB-CG 4.37Å; V1118-W1143 HydrophobicContact CG1-CD2 4.01Å; V1118-W1143 HydrophobicContact CG1-CG 4.3Å; V1118-W1143 HydrophobicContact CG1-CH2 4.49Å; V1118-W1143 HydrophobicContact CG1-CZ2 3.96Å; V1118-W1143 HydrophobicContact CG2-CB 3.99Å; V1118-W1143 HydrophobicContact CG2-CD2 4.29Å; V1118-W1143 HydrophobicContact CG2-CG 3.78Å
1119	E	90.8	Very high	90.7	Very high	166 Å²	166	60.5 Å²	60.5	78%	0.776	32%	0.322	S	S	*	.	H	α-helix	trans	-61.8	-43.3	178.8	-63.6	-170.7	161.5	0	0	111.7	N1117 L1122 E1123	N1117-E1119 PolarHBondContact O-N 2.97Å; E1119-L1122 PolarHBondContact O-N 3.11Å; E1119-E1123 PolarHBondContact O-N 3.4Å
1120	A	92.9	Very high	91.3	Very high	36 Å²	36	65.9 Å²	65.9	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-46.6	174.7	0	0	0	0	0	111.7	N1117 V1118 L1122 E1123 D1124	N1117-A1120 HydrophobicContact CB-CB 4.15Å; N1117-A1120 PolarHBondContact O-N 3.22Å; N1117-A1120 PolarHBondContact OD1-N 2.96Å; V1118-A1120 VanDerWaalsContact C-N 3.34Å; V1118-A1120 PolarHBondContact O-N 2.97Å; A1120-L1122 VanDerWaalsContact C-N 3.31Å; A1120-L1122 PolarHBondContact O-N 2.83Å; A1120-E1123 PolarHBondContact O-N 3.4Å; A1120-E1123 VanDerWaalsContact O-N 3.09Å; A1120-D1124 PolarHBondContact O-N 2.68Å
1121	I	94.8	Very high	91.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-41.2	178.9	-63.6	160.7	0	0	0	111.4	F1065 L1068 W1085 A1102 P1116 N1117 V1118 E1123 D1124 F1125	F1065-I1121 HydrophobicContact CD1-CG1 4.22Å; F1065-I1121 HydrophobicContact CD1-CG2 3.93Å; F1065-I1121 HydrophobicContact CE1-CB 4.35Å; F1065-I1121 HydrophobicContact CE1-CG1 3.96Å; F1065-I1121 HydrophobicContact CE1-CG2 3.93Å; F1065-I1121 HydrophobicContact CG-CG2 4.45Å; F1065-I1121 HydrophobicContact CZ-CG2 4.45Å; L1068-I1121 HydrophobicContact CD1-CD1 3.8Å; W1085-I1121 HydrophobicContact CH2-CB 4.46Å; W1085-I1121 HydrophobicContact CH2-CG2 3.8Å; W1085-I1121 HydrophobicContact CZ3-CG2 4.3Å; A1102-I1121 HydrophobicContact CB-CD1 4.06Å; A1102-I1121 HydrophobicContact CB-CG1 3.85Å; P1116-I1121 HydrophobicContact CB-CD1 4.13Å; N1117-I1121 WeakPolarHBondContact O-CD1 3.38Å; N1117-I1121 VanDerWaalsContact O-CG1 3.25Å; N1117-I1121 WeakPolarHBondContact O-CG1 3.1Å; N1117-I1121 PolarHBondContact O-N 3.49Å; V1118-I1121 PolarHBondContact O-N 2.88Å; I1121-E1123 VanDerWaalsContact C-N 3.29Å; I1121-E1123 PolarHBondContact O-N 3.18Å; I1121-D1124 PolarHBondContact O-N 3.14Å; I1121-F1125 HydrophobicContact CG2-CD1 4.14Å; I1121-F1125 HydrophobicContact CG2-CE1 3.42Å; I1121-F1125 VanDerWaalsContact CG2-CE1 3.42Å; I1121-F1125 HydrophobicContact CG2-CE2 4.11Å; I1121-F1125 HydrophobicContact CG2-CZ 3.41Å; I1121-F1125 VanDerWaalsContact CG2-CZ 3.41Å; I1121-F1125 VanDerWaalsContact O-CD1 3.22Å; I1121-F1125 WeakPolarHBondContact O-CD1 3.33Å; I1121-F1125 VanDerWaalsContact O-CG 3.23Å; I1121-F1125 WeakPolarHBondContact O-CG 3.44Å; I1121-F1125 PolarHBondContact O-N 2.78Å
1122	L	95.1	Very high	92.7	Very high	20 Å²	20	54 Å²	54	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-28.4	178.1	-71.2	175.8	0	0	0	113.1	V1007 V1118 E1119 A1120 F1125 V1136 A1138	V1007-L1122 HydrophobicContact CB-CD2 4.32Å; V1007-L1122 HydrophobicContact CG1-CD2 3.5Å; V1007-L1122 HydrophobicContact CG2-CD2 3.82Å; V1118-L1122 HydrophobicContact CG1-CD1 3.83Å; V1118-L1122 HydrophobicContact CG1-CG 4.03Å; V1118-L1122 WeakPolarHBondContact O-CB 3.12Å; V1118-L1122 VanDerWaalsContact O-CG 3.24Å; V1118-L1122 WeakPolarHBondContact O-CG 3.06Å; V1118-L1122 PolarHBondContact O-N 3.2Å; E1119-L1122 PolarHBondContact O-N 3.11Å; A1120-L1122 VanDerWaalsContact C-N 3.31Å; A1120-L1122 PolarHBondContact O-N 2.83Å; L1122-F1125 HydrophobicContact CD2-CD2 4.24Å; L1122-F1125 HydrophobicContact CD2-CE2 4.27Å; L1122-V1136 HydrophobicContact CD2-CG1 3.84Å; L1122-A1138 HydrophobicContact CD1-CB 4.44Å
1123	E	95.3	Very high	93.3	Very high	91 Å²	91	52 Å²	52	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-82.4	-38.7	172.5	-168.1	58.8	-150.7	0	0	111.7	E1119 A1120 I1121 F1125 R1126 V1127	E1119-E1123 PolarHBondContact O-N 3.4Å; A1120-E1123 PolarHBondContact O-N 3.4Å; A1120-E1123 VanDerWaalsContact O-N 3.09Å; I1121-E1123 VanDerWaalsContact C-N 3.29Å; I1121-E1123 PolarHBondContact O-N 3.18Å; E1123-F1125 VanDerWaalsContact C-N 3.25Å; E1123-F1125 PolarHBondContact O-N 3.3Å; E1123-R1126 CarbonylContact O-C 3.52Å; E1123-R1126 WeakPolarHBondContact O-CA 3.28Å; E1123-R1126 WeakPolarHBondContact O-CB 3.25Å; E1123-R1126 PolarHBondContact O-N 2.98Å; E1123-R1126 WeakPolarHBondContact OE2-CD 3.4Å; E1123-R1126 IonicContact OE2-CZ 3.68Å; E1123-R1126 IonicContact OE2-NE 2.83Å; E1123-R1126 IonicContact OE2-NH1 3.76Å; E1123-R1126 PolarHBondContact OE2-NH1 2.97Å; E1123-V1127 HydrophobicContact CG-CG2 4.25Å; E1123-V1127 WeakPolarHBondContact O-CG2 3.36Å; E1123-V1127 PolarHBondContact O-N 3.33Å
1124	D	95.9	Very high	93.7	Very high	66 Å²	66	56.5 Å²	56.5	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-39.4	173.5	-73.2	-28.6	0	0	0	111.3	F1065 A1120 I1121 R1126 V1127 M1128	F1065-D1124 HydrophobicContact CE2-CB 4.36Å; F1065-D1124 HydrophobicContact CZ-CB 3.67Å; A1120-D1124 PolarHBondContact O-N 2.68Å; I1121-D1124 PolarHBondContact O-N 3.14Å; D1124-R1126 VanDerWaalsContact C-N 3.28Å; D1124-R1126 PolarHBondContact O-N 3.42Å; D1124-V1127 PolarHBondContact O-N 3.48Å; D1124-M1128 WeakPolarHBondContact O-CB 3.2Å; D1124-M1128 WeakPolarHBondContact O-CG 3.46Å; D1124-M1128 PolarHBondContact O-N 3.39Å
1125	F	97.1	Very high	94.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-40.6	170.2	-65.3	-9	0	0	0	112.1	I1009 Y1057 L1061 F1065 F1071 V1083 W1085 I1121 L1122 E1123 G1129 V1136	I1009-F1125 HydrophobicContact CD1-CB 4.18Å; I1009-F1125 HydrophobicContact CD1-CD2 3.68Å; I1009-F1125 HydrophobicContact CD1-CE2 4.18Å; I1009-F1125 HydrophobicContact CD1-CG 3.94Å; I1009-F1125 HydrophobicContact CG1-CD2 4.14Å; Y1057-F1125 PolarHBondContact OH-O 3.3Å; L1061-F1125 HydrophobicContact CD2-CD1 3.43Å; L1061-F1125 VanDerWaalsContact CD2-CD1 3.43Å; L1061-F1125 HydrophobicContact CD2-CE1 3.81Å; L1061-F1125 HydrophobicContact CD2-CG 4.23Å; F1065-F1125 HydrophobicContact CD2-CD1 4.18Å; F1065-F1125 AromaticContact CD2-CE1 3.67Å; F1065-F1125 HydrophobicContact CD2-CE1 3.67Å; F1065-F1125 HydrophobicContact CE2-CD1 4Å; F1065-F1125 AromaticContact CE2-CE1 3.91Å; F1065-F1125 HydrophobicContact CE2-CE1 3.91Å; F1065-F1125 HydrophobicContact CG-CE1 4.04Å; F1065-F1125 HydrophobicContact CZ-CE1 4.49Å; F1071-F1125 AromaticContact CE1-CE1 3.81Å; F1071-F1125 HydrophobicContact CE1-CE1 3.81Å; F1071-F1125 HydrophobicContact CE1-CE2 4.3Å; F1071-F1125 AromaticContact CE1-CZ 3.59Å; F1071-F1125 HydrophobicContact CE1-CZ 3.59Å; F1071-F1125 AromaticContact CZ-CE1 3.78Å; F1071-F1125 HydrophobicContact CZ-CE1 3.78Å; F1071-F1125 AromaticContact CZ-CZ 3.71Å; F1071-F1125 HydrophobicContact CZ-CZ 3.71Å; V1083-F1125 HydrophobicContact CG2-CE2 4.41Å; W1085-F1125 HydrophobicContact CH2-CE2 4.48Å; W1085-F1125 HydrophobicContact CH2-CZ 4.27Å; I1121-F1125 HydrophobicContact CG2-CD1 4.14Å; I1121-F1125 HydrophobicContact CG2-CE1 3.42Å; I1121-F1125 VanDerWaalsContact CG2-CE1 3.42Å; I1121-F1125 HydrophobicContact CG2-CE2 4.11Å; I1121-F1125 HydrophobicContact CG2-CZ 3.41Å; I1121-F1125 VanDerWaalsContact CG2-CZ 3.41Å; I1121-F1125 VanDerWaalsContact O-CD1 3.22Å; I1121-F1125 WeakPolarHBondContact O-CD1 3.33Å; I1121-F1125 VanDerWaalsContact O-CG 3.23Å; I1121-F1125 WeakPolarHBondContact O-CG 3.44Å; I1121-F1125 PolarHBondContact O-N 2.78Å; L1122-F1125 HydrophobicContact CD2-CD2 4.24Å; L1122-F1125 HydrophobicContact CD2-CE2 4.27Å; E1123-F1125 VanDerWaalsContact C-N 3.25Å; E1123-F1125 PolarHBondContact O-N 3.3Å; F1125-G1129 PolarHBondContact O-N 2.9Å; F1125-V1136 HydrophobicContact CB-CG2 4.21Å; F1125-V1136 HydrophobicContact CD2-CG1 4.26Å
1126	R	96.5	Very high	94.6	Very high	97 Å²	97	57.6 Å²	57.6	37%	0.366	30%	0.3	S	S	.	.	H	α-helix	trans	-73.4	-37.2	177.6	-61.2	175.4	-170	126.5	5	112	E1123 D1124 K1130 V1136	E1123-R1126 CarbonylContact O-C 3.52Å; E1123-R1126 WeakPolarHBondContact O-CA 3.28Å; E1123-R1126 WeakPolarHBondContact O-CB 3.25Å; E1123-R1126 PolarHBondContact O-N 2.98Å; E1123-R1126 WeakPolarHBondContact OE2-CD 3.4Å; E1123-R1126 IonicContact OE2-CZ 3.68Å; E1123-R1126 IonicContact OE2-NE 2.83Å; E1123-R1126 IonicContact OE2-NH1 3.76Å; E1123-R1126 PolarHBondContact OE2-NH1 2.97Å; D1124-R1126 VanDerWaalsContact C-N 3.28Å; D1124-R1126 PolarHBondContact O-N 3.42Å; R1126-K1130 PolarHBondContact O-N 3.01Å; R1126-V1136 HydrophobicContact CG-CB 4.2Å; R1126-V1136 HydrophobicContact CG-CG2 3.6Å; R1126-V1136 PolarHBondContact NH2-O 3.29Å
1127	V	96.1	Very high	94.8	Very high	87 Å²	87	60.7 Å²	60.7	53%	0.527	31%	0.314	S	S	.	.	H	α-helix	trans	-74	-47.5	-176.8	172.3	0	0	0	0	111.7	E1123 D1124 K1130	E1123-V1127 HydrophobicContact CG-CG2 4.25Å; E1123-V1127 WeakPolarHBondContact O-CG2 3.36Å; E1123-V1127 PolarHBondContact O-N 3.33Å; D1124-V1127 PolarHBondContact O-N 3.48Å; V1127-K1130 WeakPolarHBondContact O-CB 3.24Å; V1127-K1130 PolarHBondContact O-N 3.48Å
1128	M	95.4	Very high	94.8	Very high	70 Å²	70	60.4 Å²	60.4	35%	0.345	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-46.9	173.5	-68.8	174.5	66	0	0	110.5	Y1057 E1060 A1064 F1065 D1124 K1130	Y1057-M1128 HydrophobicContact CD2-CB 4.47Å; Y1057-M1128 HydrophobicContact CE2-CB 3.95Å; E1060-M1128 HydrophobicContact CB-CE 3.68Å; A1064-M1128 HydrophobicContact CB-CE 4.23Å; A1064-M1128 HydrophobicContact CB-SD 4.5Å; F1065-M1128 HydrophobicContact CE2-SD 3.73Å; F1065-M1128 HydrophobicContact CZ-SD 4.4Å; D1124-M1128 WeakPolarHBondContact O-CB 3.2Å; D1124-M1128 WeakPolarHBondContact O-CG 3.46Å; D1124-M1128 PolarHBondContact O-N 3.39Å; M1128-K1130 PolarHBondContact O-N 2.98Å; M1128-K1130 VanDerWaalsContact O-N 3.09Å
1129	G	94.9	Very high	94.7	Very high	4 Å²	4	64.2 Å²	64.2	4%	0.041	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	14	-179.6	0	0	0	0	0	115.7	F1125 G1131 L1132 V1133	F1125-G1129 PolarHBondContact O-N 2.9Å; G1129-G1131 PolarHBondContact O-N 3.3Å; G1129-G1131 VanDerWaalsContact O-N 3.15Å; G1129-L1132 CarbonylContact O-C 3.59Å; G1129-L1132 PolarHBondContact O-N 3.46Å; G1129-V1133 PolarHBondContact O-N 2.86Å
1130	K	94.4	Very high	94.1	Very high	184 Å²	184	57.6 Å²	57.6	80%	0.8	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-53.3	117.7	-167.5	-178.2	176.2	179.4	179.3	0	113.4	R1126 V1127 M1128 L1132	R1126-K1130 PolarHBondContact O-N 3.01Å; V1127-K1130 WeakPolarHBondContact O-CB 3.24Å; V1127-K1130 PolarHBondContact O-N 3.48Å; M1128-K1130 PolarHBondContact O-N 2.98Å; M1128-K1130 VanDerWaalsContact O-N 3.09Å; K1130-L1132 VanDerWaalsContact C-N 3.3Å; K1130-L1132 PolarHBondContact O-N 2.96Å
1131	G	90.8	Very high	92.9	Very high	47 Å²	47	62.5 Å²	62.5	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-29.5	-179.4	0	0	0	0	0	114.6	N1012 H1015 G1129	N1012-G1131 PolarHBondContact ND2-O 3.37Å; H1015-G1131 PolarHBondContact CD2-O 2.87Å; G1129-G1131 PolarHBondContact O-N 3.3Å; G1129-G1131 VanDerWaalsContact O-N 3.15Å
1132	L	95.1	Very high	91.4	Very high	17 Å²	17	68.1 Å²	68.1	9%	0.089	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-43.4	168.9	173.7	61	0	0	0	111.4	L1011 N1012 H1015 P1053 V1054 Y1057 G1129 K1130	L1011-L1132 CarbonylContact C-O 3.53Å; L1011-L1132 HydrophobicContact CD2-CG 4.3Å; N1012-L1132 VanDerWaalsContact CB-O 3.27Å; N1012-L1132 WeakPolarHBondContact CB-O 3.48Å; N1012-L1132 PolarHBondContact N-O 2.89Å; H1015-L1132 HydrophobicContact CB-CD1 3.7Å; P1053-L1132 HydrophobicContact CB-CD1 4.3Å; P1053-L1132 HydrophobicContact CB-CD2 4.06Å; P1053-L1132 WeakPolarHBondContact O-CD2 3.2Å; V1054-L1132 HydrophobicContact CG2-CD1 4.32Å; Y1057-L1132 HydrophobicContact CD1-CD2 3.83Å; Y1057-L1132 HydrophobicContact CG-CD2 3.97Å; G1129-L1132 CarbonylContact O-C 3.59Å; G1129-L1132 PolarHBondContact O-N 3.46Å; K1130-L1132 VanDerWaalsContact C-N 3.3Å; K1130-L1132 PolarHBondContact O-N 2.96Å
1133	V	97.4	Very high	90	Very high	21 Å²	21	69.7 Å²	69.7	13%	0.127	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.2	177.2	173.2	0	0	0	0	109.9	I1009 L1011 Y1057 G1129 V1136	I1009-V1133 HydrophobicContact CG2-CB 4.46Å; I1009-V1133 HydrophobicContact CG2-CG1 3.97Å; I1009-V1133 HydrophobicContact CG2-CG2 3.64Å; L1011-V1133 HydrophobicContact CD2-CG2 4.29Å; Y1057-V1133 HydrophobicContact CE1-CG2 3.63Å; G1129-V1133 PolarHBondContact O-N 2.86Å; V1133-V1136 HydrophobicContact CG1-CG2 3.93Å
1134	K	96.3	Very high	88.2	Confident	160 Å²	160	71.2 Å²	71.2	70%	0.696	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	-43.2	175.3	-178.4	-165.7	171.4	-162.2	0	111.4	Y1010	Y1010-K1134 WeakPolarHBondContact O-CB 3.2Å; Y1010-K1134 PolarHBondContact O-N 3.01Å
1135	S	97.1	Very high	86	Confident	50 Å²	50	79.2 Å²	79.2	35%	0.35	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	156.3	-179	48.1	0	0	0	0	111.2	Y1010	Y1010-S1135 PolarHBondContact N-O 3.23Å; Y1010-S1135 PolarHBondContact O-N 2.9Å
1136	V	97.1	Very high	85.5	Confident	15 Å²	15	83.2 Å²	83.2	9%	0.091	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.7	174.1	178.8	0	0	0	0	107.8	V1007 L1008 I1009 L1122 F1125 R1126 V1133	V1007-V1136 HydrophobicContact CG1-CG1 3.54Å; L1008-V1136 WeakPolarHBondContact O-CA 3.46Å; I1009-V1136 HydrophobicContact CG1-CG1 4.32Å; I1009-V1136 HydrophobicContact CG1-CG2 4.22Å; I1009-V1136 HydrophobicContact CG2-CG2 4.18Å; L1122-V1136 HydrophobicContact CD2-CG1 3.84Å; F1125-V1136 HydrophobicContact CB-CG2 4.21Å; F1125-V1136 HydrophobicContact CD2-CG1 4.26Å; R1126-V1136 HydrophobicContact CG-CB 4.2Å; R1126-V1136 HydrophobicContact CG-CG2 3.6Å; R1126-V1136 PolarHBondContact NH2-O 3.29Å; V1133-V1136 HydrophobicContact CG1-CG2 3.93Å
1137	E	95.1	Very high	84.9	Confident	73 Å²	73	82.5 Å²	82.5	34%	0.341	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.4	-176.1	178	-179.8	122.1	0	0	109.8	V1007 L1008 Y1010 R1139	V1007-E1137 CarbonylContact C-O 3.53Å; V1007-E1137 VanDerWaalsContact CA-O 3.29Å; V1007-E1137 WeakPolarHBondContact CA-O 3.47Å; V1007-E1137 VanDerWaalsContact CG1-O 3.31Å; V1007-E1137 WeakPolarHBondContact CG1-O 3.37Å; L1008-E1137 HydrophobicContact CB-CB 4.5Å; L1008-E1137 PolarHBondContact N-O 3.39Å; L1008-E1137 PolarHBondContact O-N 3.01Å; Y1010-E1137 HydrophobicContact CD2-CB 4.41Å; Y1010-E1137 HydrophobicContact CE2-CB 3.9Å; Y1010-E1137 WeakPolarHBondContact CE2-OE2 3.34Å; E1137-R1139 HydrophobicContact CG-CG 4.13Å; E1137-R1139 WeakPolarHBondContact OE1-CG 3.28Å; E1137-R1139 IonicContact OE1-CZ 3.29Å; E1137-R1139 IonicContact OE1-NE 2.77Å; E1137-R1139 PolarHBondContact OE1-NE 3.33Å; E1137-R1139 IonicContact OE1-NH2 2.92Å; E1137-R1139 PolarHBondContact OE1-NH2 3.22Å
1138	A	92.4	Very high	84.3	Confident	53 Å²	53	82.2 Å²	82.2	44%	0.438	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.4	164.9	0	0	0	0	0	109.1	L1122 W1143	L1122-A1138 HydrophobicContact CD1-CB 4.44Å; A1138-W1143 HydrophobicContact CB-CH2 3.87Å; A1138-W1143 HydrophobicContact CB-CZ2 4.24Å
1139	R	87.8	Confident	83.6	Confident	92 Å²	92	82.9 Å²	82.9	35%	0.347	41%	0.41	S	S	.	.			trans	-110.2	-20.9	-176.2	-78.8	-163.1	154.7	-142.7	-17.7	114.9	D1003 D1006 L1008 E1137	D1003-R1139 IonicContact OD1-CZ 3.77Å; D1003-R1139 IonicContact OD1-NH1 2.69Å; D1003-R1139 PolarHBondContact OD1-NH1 2.86Å; D1006-R1139 PolarHBondContact O-N 3.15Å; L1008-R1139 HydrophobicContact CG-CG 4.46Å; E1137-R1139 HydrophobicContact CG-CG 4.13Å; E1137-R1139 WeakPolarHBondContact OE1-CG 3.28Å; E1137-R1139 IonicContact OE1-CZ 3.29Å; E1137-R1139 IonicContact OE1-NE 2.77Å; E1137-R1139 PolarHBondContact OE1-NE 3.33Å; E1137-R1139 IonicContact OE1-NH2 2.92Å; E1137-R1139 PolarHBondContact OE1-NH2 3.22Å
1140	T	78.8	Confident	82.9	Confident	26 Å²	26	87.9 Å²	87.9	16%	0.16	43%	0.433	C	S	.	.			trans	-129.1	168.5	177.6	74.3	0	0	0	0	109	D1006 K1142 W1143	D1006-T1140 WeakPolarHBondContact OD1-CG2 3.39Å; D1006-T1140 PolarHBondContact OD1-OG1 3.22Å; T1140-K1142 HydrophobicContact CG2-CD 4.47Å; T1140-W1143 WeakPolarHBondContact O-CH2 3.34Å; T1140-W1143 WeakPolarHBondContact O-CZ2 3.43Å; T1140-W1143 WeakPolarHBondContact O-CZ3 3.24Å
1141	E	67.9	Low	82.2	Confident	140 Å²	140	81.5 Å²	81.5	65%	0.654	41%	0.408	S	S	*	.			trans	-118.7	24	170.1	-65.6	-178.1	163	0	0	110.4	W1143 M1144	E1141-W1143 PolarHBondContact O-N 2.59Å; E1141-M1144 HydrophobicContact CB-CE 4.09Å; E1141-M1144 HydrophobicContact CG-CE 4.25Å; E1141-M1144 PolarHBondContact O-N 3.29Å; E1141-M1144 WeakPolarHBondContact OE2-CE 3.31Å
1142	K	63.9	Low	81.6	Confident	118 Å²	118	83.9 Å²	83.9	51%	0.513	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-1	-173.6	-67.8	177.6	-157.5	146.3	0	115.2	D1006 T1140 F1145	D1006-K1142 WeakPolarHBondContact OD1-CD 3.43Å; D1006-K1142 WeakPolarHBondContact OD1-CE 3.18Å; D1006-K1142 IonicContact OD1-NZ 3.51Å; D1006-K1142 PolarHBondContact OD1-NZ 3.32Å; T1140-K1142 HydrophobicContact CG2-CD 4.47Å; K1142-F1145 WeakPolarHBondContact O-CE2 3.37Å; K1142-F1145 WeakPolarHBondContact O-CZ 3.4Å
1143	W	65.6	Low	80.5	Confident	52 Å²	52	89.1 Å²	89.1	20%	0.197	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.5	174.6	55.4	82.8	0	0	0	113.2	D1006 W1085 F1090 V1118 A1138 T1140 E1141	D1006-W1143 HydrophobicContact CB-CZ3 4.34Å; W1085-W1143 AromaticContact CD1-CE3 3.55Å; W1085-W1143 AromaticContact CD1-CZ3 3.82Å; W1085-W1143 AromaticContact NE1-CE3 3.15Å; W1085-W1143 AromaticContact NE1-CZ3 3.19Å; F1090-W1143 HydrophobicContact CD1-CB 3.73Å; F1090-W1143 HydrophobicContact CE1-CB 3.54Å; F1090-W1143 HydrophobicContact CZ-CB 4.44Å; V1118-W1143 HydrophobicContact CB-CG 4.37Å; V1118-W1143 HydrophobicContact CG1-CD2 4.01Å; V1118-W1143 HydrophobicContact CG1-CG 4.3Å; V1118-W1143 HydrophobicContact CG1-CH2 4.49Å; V1118-W1143 HydrophobicContact CG1-CZ2 3.96Å; V1118-W1143 HydrophobicContact CG2-CB 3.99Å; V1118-W1143 HydrophobicContact CG2-CD2 4.29Å; V1118-W1143 HydrophobicContact CG2-CG 3.78Å; A1138-W1143 HydrophobicContact CB-CH2 3.87Å; A1138-W1143 HydrophobicContact CB-CZ2 4.24Å; T1140-W1143 WeakPolarHBondContact O-CH2 3.34Å; T1140-W1143 WeakPolarHBondContact O-CZ2 3.43Å; T1140-W1143 WeakPolarHBondContact O-CZ3 3.24Å; E1141-W1143 PolarHBondContact O-N 2.59Å
1144	M	56.1	Low	79.1	Confident	123 Å²	123	94.8 Å²	94.8	61%	0.606	45%	0.452	S	S	*	.			trans	-85.1	113	170.7	-57.1	-151.4	-61	0	0	108.5	E1141	E1141-M1144 HydrophobicContact CB-CE 4.09Å; E1141-M1144 HydrophobicContact CG-CE 4.25Å; E1141-M1144 PolarHBondContact O-N 3.29Å; E1141-M1144 WeakPolarHBondContact OE2-CE 3.31Å
1145	F	51.3	Low	77.5	Confident	235 Å²	235	88.8 Å²	88.8	100%	1.031	43%	0.43	S	S	*	.			trans	-127	0	-178.7	-76.8	-70.8	0	0	0	110.6	K1142	K1142-F1145 WeakPolarHBondContact O-CE2 3.37Å; K1142-F1145 WeakPolarHBondContact O-CZ 3.4Å

Retrieved 1,145 of 1,145 residues in 297.5 ms (Link to these results)

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