A0A093H339_STRCA Loading...

dipeptidyl-peptidase IV

AlphaFold DB , UniProt , Accession A0A093H339, Species STRCA (Struthio camelus australis), Gene n/a, Length 892 aa.

						>A0A093H339_STRCA|A0A093H339
MQKIKRVRLENETAGSWRSFLTSSEGEERMTAVDTLSDSSEVVEMEDVPSQFQVQKHSWDGLRDIIHSSRKYSGMIVNKAPHDFQFVRKTEESSPHSHRLYYLGMPYGSRENSLLYSEIPKKVRKEALLLLSWKQMLDHFQATPHHGMYSREEELLRERKRLGVFGITSYDFHSESGLFLFQASNSLFHCRDGGKNGFMVSPMKPLEIKTQCTGPRMDPKICPADPAFFSFINNNDLWVANIETGEERRMTYCHKGLSNVLDDPKSAGVATFVIQEEFDRFTGYWWCPTASTEGSEDLKTLRILYEEVDESEVEIIHVPSPALEERKTDSYRYPRTGSKNPKITLKLAEFKTDSKGKIVCAQDKELVQPFAALFPTVEYIARAGWTRDGKYAWAMFLDRPQQRLQLILLPPALFIPVPESEEQRAEFAKTVPENVQPLVIYEETTDVWINVHDIFYPFIQPEGEEEELCFIRANECKTGFCHLYRVTAVLKQGSYDWVQPYVHSEDDFKCPIKEEVALTGGEWEVLARHGSKIWVNEATKLVYFQGTKDTPLEHHLYVVSYESPGEIVRLTTPGFSHSCSMSQNFDMFISHYSSVSTPPCVHVYKLSGSDDDPLHKQPKFWASMMEAASCPPDYIPPEIFHFRTQSDVELYGMVYKPHDVQPGKKHPTVLFVYGGPQVQLVNNSFKGIKYLRLNTLASLGYAVVVIDGRGSCQRGLKFEGALKNQMGQVEIEDQVEGLHYVAEKYGFIDLSRVAIHGWSYGGFLSLMGLICKPNVFKIAIAGAPVTVWMAYDTGYTERYMDIPENNQQGYEAGSVALHVEKLPNEPNRLLILHGFLDENVHFFHTNFLVSQLIRAGKPYQLQIYPNERHSIRCPESGEHYEITLLHFLQEYL
					

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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	33.6	Very low	29.5	Very low	242 Å²	242	177.1 Å²	177.1	100%	1.192	83%	0.825	S	S	*	*				0	155.9	0	-124.2	179.4	-176	0	0	108
2	Q	33.3	Very low	29.3	Very low	188 Å²	188	175.5 Å²	175.5	88%	0.879	82%	0.818	S	S	*	*			trans	66.7	129.9	-166.1	-60.2	178.5	-9.9	0	0	111.6
3	K	29.1	Very low	29.3	Very low	189 Å²	189	172.1 Å²	172.1	82%	0.822	82%	0.817	S	S	*	*			cis	68.1	131.1	17.4	-64	-175.1	170.9	178.3	0	113.7
4	I	29.3	Very low	29.4	Very low	132 Å²	132	167.2 Å²	167.2	68%	0.677	82%	0.82	S	S	*	*			cis	-164.3	157.5	9.7	-126	170.7	0	0	0	113.7
5	K	29.9	Very low	29.2	Very low	183 Å²	183	161.2 Å²	161.2	80%	0.796	82%	0.818	S	S	*	*			trans	40.6	131.1	156.2	-63.1	175.9	179.4	-179	0	124.2
6	R	29.3	Very low	29.1	Very low	242 Å²	242	157.8 Å²	157.8	91%	0.913	81%	0.814	S	S	*	*				-8.8	151	129.2	-65	174.7	170.3	174.5	-3.6	119
7	V	27.5	Very low	28.8	Very low	149 Å²	149	161.1 Å²	161.1	90%	0.903	81%	0.813	S	S	*	*				-150.8	171.3	126.2	135.4	0	0	0	0	109.7
8	R	28.3	Very low	28.7	Very low	207 Å²	207	163.3 Å²	163.3	78%	0.781	81%	0.81	S	S	*	*			trans	-138.2	149	-163.5	-167	-157.9	-151.9	-170.6	8	111.1
9	L	26.2	Very low	28.6	Very low	148 Å²	148	159.5 Å²	159.5	78%	0.775	80%	0.802	S	S	*	*			trans	-165.1	137.4	152.7	-84.8	127.7	0	0	0	105
10	E	29.4	Very low	28.5	Very low	136 Å²	136	161.2 Å²	161.2	64%	0.636	80%	0.804	S	S	*	*				71.7	131	50.4	-66.4	171.5	-150.6	0	0	111.9
11	N	28.4	Very low	28.3	Very low	132 Å²	132	160.9 Å²	160.9	71%	0.706	80%	0.804	S	S	*	*			cis	-157.6	-174.3	12.2	-144.6	-5.1	0	0	0	114.2
12	E	27.6	Very low	28	Very low	158 Å²	158	154.7 Å²	154.7	74%	0.738	78%	0.78	S	S	*	*			trans	72.9	134.8	165.2	-65.7	162.3	-150.1	0	0	117.5
13	T	28.9	Very low	27.7	Very low	131 Å²	131	150.6 Å²	150.6	80%	0.804	77%	0.772	S	S	*	*			cis	77.9	135.5	26.6	75.8	0	0	0	0	115.3
14	A	30.5	Very low	27.6	Very low	104 Å²	104	146.8 Å²	146.8	86%	0.86	77%	0.77	S	S	*	*			cis	-147.6	-171.3	5.7	0	0	0	0	0	110
15	G	26.6	Very low	27.6	Very low	77 Å²	77	150 Å²	150	79%	0.794	78%	0.781	S	S	*	*			cis	-177.9	-173.2	8.2	0	0	0	0	0	113.9
16	S	27.3	Very low	27.5	Very low	107 Å²	107	144.3 Å²	144.3	75%	0.748	78%	0.775	S	S	*	*			trans	-105.2	155.2	-173.1	161.7	0	0	0	0	113.5
17	W	25.2	Very low	27.3	Very low	213 Å²	213	141.9 Å²	141.9	81%	0.807	77%	0.774	S	S	*	*			trans	-148	96.4	158.3	-88.5	93.7	0	0	0	116.4
18	R	27	Very low	27.4	Very low	201 Å²	201	141.4 Å²	141.4	76%	0.758	76%	0.762	S	S	*	*			trans	66.4	157.9	135.4	-62.4	-163.4	-175.2	-179.8	2.9	125.1
19	S	26.7	Very low	27.3	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	76%	0.759	S	S	*	*			trans	-96	-173	178.6	50.9	0	0	0	0	112.5
20	F	26.3	Very low	27.4	Very low	192 Å²	192	139.9 Å²	139.9	84%	0.842	75%	0.754	S	S	*	*			cis	-163.1	-168.3	31.8	-118	-53.4	0	0	0	111.7
21	L	23.8	Very low	27.3	Very low	155 Å²	155	139.8 Å²	139.8	81%	0.812	76%	0.762	S	S	*	*			trans	99	155	171.6	-56.9	167.5	0	0	0	116.8
22	T	26.8	Very low	27.2	Very low	113 Å²	113	138.2 Å²	138.2	69%	0.693	77%	0.768	S	S	*	*				-171.7	141.7	-61.9	27.6	0	0	0	0	112.2
23	S	26.9	Very low	27.3	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	77%	0.768	S	S	*	*			trans	62.9	131.9	149.2	59.7	0	0	0	0	125.3
24	S	27.6	Very low	27.1	Very low	110 Å²	110	138 Å²	138	77%	0.769	77%	0.771	S	S	*	*			trans	66.2	146.5	141.2	57.8	0	0	0	0	120.7
25	E	29.8	Very low	26.9	Very low	198 Å²	198	138.5 Å²	138.5	93%	0.925	76%	0.764	S	S	*	*			cis	-125.6	-157.2	0.5	-61.4	-173.9	85.2	0	0	110.3
26	G	26.7	Very low	27	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	77%	0.772	S	S	*	*			cis	176.6	174.9	2.4	0	0	0	0	0	112.9
27	E	26.4	Very low	27	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	77%	0.769	S	S	*	*			trans	53.6	114.8	170.4	-64.4	-167.2	149.3	0	0	119.6
28	E	28.4	Very low	27.3	Very low	140 Å²	140	140.8 Å²	140.8	65%	0.654	77%	0.772	S	S	*	*				69.3	124.1	75.7	-70	-95.4	65.3	0	0	112.6
29	R	27.3	Very low	27.3	Very low	186 Å²	186	135.4 Å²	135.4	70%	0.702	77%	0.765	S	S	*	*			cis	-161.7	177.2	14.1	-91.3	-178.3	-167.5	167.6	12	109.8
30	M	27.4	Very low	27.7	Very low	137 Å²	137	136.1 Å²	136.1	68%	0.675	77%	0.77	S	S	*	*			cis	-165.6	152.4	-4.6	-119.6	-174.9	-41.1	0	0	110.1
31	T	26.9	Very low	27.8	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	77%	0.769	S	S	*	*			trans	50.9	145.1	153.7	58	0	0	0	0	121.2
32	A	28	Very low	28.1	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	77%	0.766	S	S	*	*			cis	-138.8	172.6	15.6	0	0	0	0	0	113.3
33	V	28.2	Very low	28.5	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	77%	0.772	S	S	*	*			trans	-88.6	140.2	-170.4	174.1	0	0	0	0	112.1	T35	V33-T35 HydrophobicContact CG1-CG2 3.85Å
34	D	25.8	Very low	28.8	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	77%	0.774	S	S	*	*			trans	-143.4	142.5	130.4	-129.2	-23.4	0	0	0	109.7
35	T	26.6	Very low	29.7	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	78%	0.775	S	S	*	*			trans	-101.1	112.2	-163.7	49.5	0	0	0	0	113.8	V33 S37	V33-T35 HydrophobicContact CG1-CG2 3.85Å; T35-S37 PolarHBondContact O-N 3.42Å
36	L	27.8	Very low	30.2	Very low	183 Å²	183	139.5 Å²	139.5	96%	0.958	77%	0.772	S	S	*	*			trans	-77.3	103	156.6	-79.1	164.9	0	0	0	109
37	S	27.6	Very low	31.3	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	76%	0.762	S	S	*	*			trans	-79.7	120.6	169.8	54.4	0	0	0	0	110.2	T35 S39	T35-S37 PolarHBondContact O-N 3.42Å; S37-S39 PolarHBondContact O-N 2.59Å
38	D	31.5	Very low	32.6	Very low	164 Å²	164	135.5 Å²	135.5	88%	0.877	74%	0.744	S	S	*	*			trans	-68.2	109.8	170.2	-162	1.9	0	0	0	109.2
39	S	27	Very low	34	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	75%	0.745	S	S	*	*			trans	-127.8	87.3	174.5	62.2	0	0	0	0	109	S37 E41	S37-S39 PolarHBondContact O-N 2.59Å; S39-E41 PolarHBondContact O-N 3.07Å
40	S	34.1	Very low	36.4	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	72%	0.717	S	S	*	*			trans	-68.7	79.8	171.6	56.4	0	0	0	0	110.3	V42	S40-V42 PolarHBondContact O-N 2.87Å
41	E	28.5	Very low	39.4	Very low	177 Å²	177	121.5 Å²	121.5	83%	0.827	70%	0.696	S	S	*	*			trans	-63.3	103.2	166.4	-73.6	-167.6	149.7	0	0	108.8	S39 V43	S39-E41 PolarHBondContact O-N 3.07Å; E41-V43 PolarHBondContact O-N 2.74Å; E41-V43 VanDerWaalsContact O-N 3.17Å
42	V	31.8	Very low	42.7	Very low	121 Å²	121	117.1 Å²	117.1	73%	0.733	67%	0.665	S	S	*	*			trans	-61.4	113	164.6	175.6	0	0	0	0	106.5	S40 E44	S40-V42 PolarHBondContact O-N 2.87Å; V42-E44 PolarHBondContact O-N 2.63Å
43	V	33.7	Very low	45.8	Very low	136 Å²	136	118 Å²	118	82%	0.824	65%	0.653	S	S	*	*			trans	-65.5	101.2	169.9	-179.7	0	0	0	0	107.4	E41	E41-V43 PolarHBondContact O-N 2.74Å; E41-V43 VanDerWaalsContact O-N 3.17Å
44	E	34.2	Very low	49	Very low	162 Å²	162	112.9 Å²	112.9	76%	0.757	62%	0.622	S	S	*	*			trans	-65.5	143.7	177.3	-65	-163.5	115.6	0	0	110.6	V42 E46	V42-E44 PolarHBondContact O-N 2.63Å; E44-E46 VanDerWaalsContact C-N 3.27Å; E44-E46 PolarHBondContact O-N 2.66Å
45	M	46.5	Very low	52.3	Low	160 Å²	160	111.8 Å²	111.8	79%	0.788	61%	0.611	S	S	*	*			trans	-80.8	69.6	-179.5	-75.6	177.5	50.7	0	0	112.2	V48	M45-V48 HydrophobicContact CE-CG2 3.81Å
46	E	40.2	Very low	55.6	Low	184 Å²	184	112.1 Å²	112.1	86%	0.86	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	131.7	154.1	-57.5	-169.2	143.2	0	0	107.9	E44	E44-E46 VanDerWaalsContact C-N 3.27Å; E44-E46 PolarHBondContact O-N 2.66Å
47	D	48.7	Very low	58.9	Low	85 Å²	85	105.4 Å²	105.4	46%	0.455	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	cis	-146.7	61.8	10.7	174.9	29.9	0	0	0	110.5	P49 S50	D47-P49 VanDerWaalsContact C-N 3.31Å; D47-S50 VanDerWaalsContact CG-OG 3.24Å; D47-S50 PolarHBondContact O-N 3.09Å; D47-S50 PolarHBondContact O-OG 3.13Å; D47-S50 WeakPolarHBondContact OD2-CB 3.45Å; D47-S50 PolarHBondContact OD2-OG 3.27Å
48	V	54.3	Low	62.3	Low	86 Å²	86	104.4 Å²	104.4	52%	0.521	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-55.1	-35.3	178.3	-176.5	0	0	0	0	114	M45 S50 Q51	M45-V48 HydrophobicContact CE-CG2 3.81Å; V48-S50 PolarHBondContact O-N 3.09Å; V48-Q51 PolarHBondContact O-N 3.14Å
49	P	58.1	Low	65.4	Low	102 Å²	102	101 Å²	101	66%	0.662	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-58.8	-26.2	179.3	-27.4	37.3	0	0	0	115.2	D47 K664	D47-P49 VanDerWaalsContact C-N 3.31Å; P49-K664 PolarHBondContact O-NZ 2.77Å
50	S	77	Confident	68.8	Low	16 Å²	16	100.8 Å²	100.8	11%	0.112	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-85.3	-10.7	-178.2	73.3	0	0	0	0	114.8	D47 V48 G663 K664 K665	D47-S50 VanDerWaalsContact CG-OG 3.24Å; D47-S50 PolarHBondContact O-N 3.09Å; D47-S50 PolarHBondContact O-OG 3.13Å; D47-S50 WeakPolarHBondContact OD2-CB 3.45Å; D47-S50 PolarHBondContact OD2-OG 3.27Å; V48-S50 PolarHBondContact O-N 3.09Å; S50-G663 WeakPolarHBondContact CB-O 3.39Å; S50-K664 CarbonylContact O-C 3.4Å; S50-K664 VanDerWaalsContact O-CA 3.23Å; S50-K664 WeakPolarHBondContact O-CA 3.45Å; S50-K664 VanDerWaalsContact O-CD 3.29Å; S50-K664 WeakPolarHBondContact O-CD 3.46Å; S50-K665 PolarHBondContact O-N 3.08Å
51	Q	92	Very high	71.8	Confident	51 Å²	51	96.6 Å²	96.6	24%	0.238	50%	0.5	C	S	.	.	B	Isolated β-bridge	trans	-76.5	135.9	179.9	-72.9	-171.7	-35.8	0	0	112.9	V48 K664 D749 S751	V48-Q51 PolarHBondContact O-N 3.14Å; Q51-K664 PolarHBondContact O-NZ 3.03Å; Q51-D749 PolarHBondContact NE2-OD2 3.16Å; Q51-S751 PolarHBondContact NE2-OG 2.8Å
52	F	94.7	Very high	75	Confident	40 Å²	40	88.2 Å²	88.2	18%	0.175	46%	0.46	C	S	.	.			trans	-84	140.3	162.1	-177.1	-92.8	0	0	0	109.5	V54 K664 K665 H666 R752	F52-V54 HydrophobicContact CD1-CG1 4.45Å; F52-V54 HydrophobicContact CE1-CG1 4.1Å; F52-K664 HydrophobicContact CB-CB 4.33Å; F52-K665 WeakPolarHBondContact CB-O 3.25Å; F52-K665 PolarHBondContact N-O 2.9Å; F52-H666 AromaticContact CD1-CE1 3.7Å; F52-H666 AromaticContact CD1-ND1 3.34Å; F52-H666 VanDerWaalsContact CD1-ND1 3.34Å; F52-H666 WeakPolarHBondContact CD1-ND1 3.43Å; F52-H666 AromaticContact CD2-CE1 3.39Å; F52-H666 WeakPolarHBondContact CD2-CE1 3.45Å; F52-H666 AromaticContact CD2-ND1 3.92Å; F52-H666 AromaticContact CD2-NE2 3.96Å; F52-H666 AromaticContact CE1-ND1 3.84Å; F52-H666 AromaticContact CE2-CE1 3.78Å; F52-H666 AromaticContact CG-CE1 3.34Å; F52-H666 WeakPolarHBondContact CG-CE1 3.31Å; F52-H666 AromaticContact CG-ND1 3.39Å; F52-H666 WeakPolarHBondContact CG-ND1 3.25Å; F52-H666 AromaticContact CG-NE2 3.94Å; F52-R752 VanDerWaalsContact O-CZ 3.31Å; F52-R752 PolarHBondContact O-NH1 2.93Å; F52-R752 PolarHBondContact O-NH2 3.28Å
53	Q	94	Very high	78	Confident	120 Å²	120	86.1 Å²	86.1	56%	0.561	44%	0.439	S	S	*	.			trans	-120.7	126.7	175.9	-64.1	-62.1	-16.7	0	0	108.5
54	V	94.7	Very high	80.9	Confident	15 Å²	15	83.6 Å²	83.6	9%	0.091	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.4	179.5	-63.7	0	0	0	0	110.5	F52 K56 P667 Y701 Q889	F52-V54 HydrophobicContact CD1-CG1 4.45Å; F52-V54 HydrophobicContact CE1-CG1 4.1Å; V54-K56 PolarHBondContact O-N 2.88Å; V54-P667 HydrophobicContact CG1-CG 3.89Å; V54-Y701 HydrophobicContact CG1-CD1 4.4Å; V54-Y701 HydrophobicContact CG1-CD2 4.34Å; V54-Y701 HydrophobicContact CG1-CE1 4.03Å; V54-Y701 HydrophobicContact CG1-CE2 3.98Å; V54-Q889 HydrophobicContact CG2-CB 4.2Å
55	Q	95	Very high	83.7	Confident	139 Å²	139	77.9 Å²	77.9	65%	0.65	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66.4	126.5	173.1	179.1	173.2	-6.3	0	0	109.2	H57	Q55-H57 VanDerWaalsContact CD-CE1 3.41Å; Q55-H57 PolarHBondContact O-CD2 3.43Å; Q55-H57 PolarHBondContact O-N 3.26Å
56	K	96.6	Very high	85.8	Confident	121 Å²	121	70.4 Å²	70.4	53%	0.526	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-79	119.7	171.3	-69.3	-162.6	169.2	-131.6	0	110.3	V54 Q889 E890	V54-K56 PolarHBondContact O-N 2.88Å; K56-Q889 WeakPolarHBondContact CE-O 3.26Å; K56-Q889 PolarHBondContact NZ-O 3.48Å; K56-E890 WeakPolarHBondContact CD-OE1 3.19Å; K56-E890 IonicContact NZ-OE1 2.84Å; K56-E890 PolarHBondContact NZ-OE1 2.96Å; K56-E890 IonicContact NZ-OE2 3.8Å; K56-E890 PolarHBondContact NZ-OE2 3.31Å
57	H	97.9	Very high	88.1	Confident	42 Å²	42	64.6 Å²	64.6	19%	0.194	33%	0.331	C	S	.	.			trans	-105.2	152.9	176.8	-62.2	-88.4	0	0	0	110.6	Q55 L62 Q889	Q55-H57 VanDerWaalsContact CD-CE1 3.41Å; Q55-H57 PolarHBondContact O-CD2 3.43Å; Q55-H57 PolarHBondContact O-N 3.26Å; H57-L62 HydrophobicContact CB-CD2 3.75Å; H57-L62 HydrophobicContact CB-CG 3.87Å; H57-Q889 PolarHBondContact O-NE2 3.13Å
58	S	98	Very high	89.8	Confident	76 Å²	76	63 Å²	63	53%	0.531	33%	0.327	S	S	.	.			trans	-69.3	162.4	165.2	62.2	0	0	0	0	110.6	D60 G61 L62	S58-D60 VanDerWaalsContact C-N 3.26Å; S58-D60 PolarHBondContact O-N 2.86Å; S58-G61 WeakPolarHBondContact O-CA 3.44Å; S58-G61 PolarHBondContact O-N 3.18Å; S58-G61 PolarHBondContact OG-N 2.65Å; S58-G61 VanDerWaalsContact OG-N 3.14Å; S58-L62 PolarHBondContact O-N 2.95Å
59	W	97.4	Very high	91	Very high	94 Å²	94	60.4 Å²	60.4	36%	0.356	31%	0.313	S	S	.	.	H	α-helix	trans	-53.9	-43.1	173.4	-175	-86.9	0	0	0	112.5	G61 L62 R63 H879 I882 H886	W59-G61 PolarHBondContact O-N 3.47Å; W59-L62 PolarHBondContact O-N 2.82Å; W59-R63 PolarHBondContact O-N 2.73Å; W59-H879 AromaticContact CH2-NE2 4Å; W59-H879 AromaticContact CZ2-CD2 3.81Å; W59-H879 AromaticContact CZ2-NE2 3.78Å; W59-I882 HydrophobicContact CD2-CG2 3.67Å; W59-I882 HydrophobicContact CE3-CG2 3.9Å; W59-I882 HydrophobicContact CG-CG2 4.29Å; W59-I882 HydrophobicContact CH2-CG2 3.9Å; W59-I882 HydrophobicContact CZ2-CB 4.32Å; W59-I882 HydrophobicContact CZ2-CG2 3.66Å; W59-I882 HydrophobicContact CZ3-CG2 4.02Å; W59-H886 HydrophobicContact CE3-CB 4.11Å; W59-H886 AromaticContact CE3-CD2 3.8Å; W59-H886 AromaticContact CE3-CG 3.95Å; W59-H886 HydrophobicContact CZ3-CB 4Å
60	D	97.1	Very high	91.9	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-41.6	172.9	-66.7	-74.4	0	0	0	112.5	S58 R63 D64	S58-D60 VanDerWaalsContact C-N 3.26Å; S58-D60 PolarHBondContact O-N 2.86Å; D60-R63 WeakPolarHBondContact O-CB 3.47Å; D60-R63 PolarHBondContact O-N 2.84Å; D60-R63 IonicContact OD1-CZ 3.5Å; D60-R63 IonicContact OD1-NH1 2.7Å; D60-R63 PolarHBondContact OD1-NH1 3.15Å; D60-R63 IonicContact OD1-NH2 3.47Å; D60-R63 PolarHBondContact OD1-NH2 2.8Å; D60-D64 WeakPolarHBondContact O-CB 3.44Å; D60-D64 PolarHBondContact O-N 2.78Å
61	G	97.3	Very high	91.6	Very high	18 Å²	18	64.5 Å²	64.5	19%	0.186	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-41.1	176.6	0	0	0	0	0	112.9	S58 W59 D64 I65	S58-G61 WeakPolarHBondContact O-CA 3.44Å; S58-G61 PolarHBondContact O-N 3.18Å; S58-G61 PolarHBondContact OG-N 2.65Å; S58-G61 VanDerWaalsContact OG-N 3.14Å; W59-G61 PolarHBondContact O-N 3.47Å; G61-D64 PolarHBondContact O-N 2.83Å; G61-I65 WeakPolarHBondContact O-CD1 3.49Å; G61-I65 VanDerWaalsContact O-CG1 3.27Å; G61-I65 WeakPolarHBondContact O-CG1 3.49Å; G61-I65 PolarHBondContact O-N 2.92Å
62	L	96.5	Very high	90.1	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-41	173.8	-68	178.5	0	0	0	111.9	H57 S58 W59 D64 I65 I66 I882 L885 H886	H57-L62 HydrophobicContact CB-CD2 3.75Å; H57-L62 HydrophobicContact CB-CG 3.87Å; S58-L62 PolarHBondContact O-N 2.95Å; W59-L62 PolarHBondContact O-N 2.82Å; L62-D64 VanDerWaalsContact C-N 3.34Å; L62-D64 PolarHBondContact O-N 2.85Å; L62-I65 HydrophobicContact CD2-CD1 4.43Å; L62-I65 PolarHBondContact O-N 3.36Å; L62-I66 WeakPolarHBondContact O-CG1 3.46Å; L62-I66 PolarHBondContact O-N 2.95Å; L62-I882 HydrophobicContact CB-CG2 4.03Å; L62-L885 HydrophobicContact CD1-CB 4.11Å; L62-L885 HydrophobicContact CD2-CB 3.97Å; L62-L885 HydrophobicContact CD2-CD1 4.2Å; L62-H886 HydrophobicContact CD1-CB 3.73Å
63	R	94.9	Very high	88.5	Confident	77 Å²	77	67.6 Å²	67.6	29%	0.291	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-45.8	172.9	-176	-167.5	61.5	-122.3	-17.6	111.3	W59 D60 I65 I66 H67 I882	W59-R63 PolarHBondContact O-N 2.73Å; D60-R63 WeakPolarHBondContact O-CB 3.47Å; D60-R63 PolarHBondContact O-N 2.84Å; D60-R63 IonicContact OD1-CZ 3.5Å; D60-R63 IonicContact OD1-NH1 2.7Å; D60-R63 PolarHBondContact OD1-NH1 3.15Å; D60-R63 IonicContact OD1-NH2 3.47Å; D60-R63 PolarHBondContact OD1-NH2 2.8Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 PolarHBondContact O-N 2.89Å; R63-I66 PolarHBondContact O-N 2.96Å; R63-H67 WeakPolarHBondContact CD-NE2 3.38Å; R63-H67 WeakPolarHBondContact CG-NE2 2.93Å; R63-H67 PolarHBondContact O-CD2 2.89Å; R63-H67 PolarHBondContact O-N 2.65Å; R63-I882 HydrophobicContact CB-CD1 3.66Å; R63-I882 HydrophobicContact CB-CG1 4.28Å; R63-I882 HydrophobicContact CG-CD1 3.73Å
64	D	94.4	Very high	86.8	Confident	84 Å²	84	64.4 Å²	64.4	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-68.1	-30.8	-177.9	-66.2	-4.1	0	0	0	111.8	D60 G61 L62 S68	D60-D64 WeakPolarHBondContact O-CB 3.44Å; D60-D64 PolarHBondContact O-N 2.78Å; G61-D64 PolarHBondContact O-N 2.83Å; L62-D64 VanDerWaalsContact C-N 3.34Å; L62-D64 PolarHBondContact O-N 2.85Å; D64-S68 WeakPolarHBondContact O-CB 3.46Å; D64-S68 PolarHBondContact O-N 3.26Å; D64-S68 VanDerWaalsContact O-N 3.12Å; D64-S68 PolarHBondContact O-OG 3.49Å
65	I	92.6	Very high	84.6	Confident	42 Å²	42	71 Å²	71	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-51.1	169	-70.3	159.4	0	0	0	110.9	G61 L62 R63 S68 S69 T695 L699	G61-I65 WeakPolarHBondContact O-CD1 3.49Å; G61-I65 VanDerWaalsContact O-CG1 3.27Å; G61-I65 WeakPolarHBondContact O-CG1 3.49Å; G61-I65 PolarHBondContact O-N 2.92Å; L62-I65 HydrophobicContact CD2-CD1 4.43Å; L62-I65 PolarHBondContact O-N 3.36Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 PolarHBondContact O-N 2.89Å; I65-S68 PolarHBondContact O-N 2.83Å; I65-S68 VanDerWaalsContact O-N 3.11Å; I65-S69 PolarHBondContact O-N 3.35Å; I65-T695 HydrophobicContact CG2-CG2 4.2Å; I65-L699 HydrophobicContact CD1-CD2 4.19Å
66	I	90.3	Very high	82.8	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-46.1	-179.5	-69.7	-59	0	0	0	112.1	L62 R63 S68 S69 R70 T695 E878 E881 I882 L885	L62-I66 WeakPolarHBondContact O-CG1 3.46Å; L62-I66 PolarHBondContact O-N 2.95Å; R63-I66 PolarHBondContact O-N 2.96Å; I66-S68 PolarHBondContact O-N 3.28Å; I66-S69 PolarHBondContact O-OG 2.69Å; I66-S69 VanDerWaalsContact O-OG 3.07Å; I66-R70 WeakPolarHBondContact O-CB 3.38Å; I66-R70 VanDerWaalsContact O-CG 3.28Å; I66-R70 WeakPolarHBondContact O-CG 3.5Å; I66-R70 PolarHBondContact O-N 2.91Å; I66-R70 VanDerWaalsContact O-N 3.11Å; I66-T695 HydrophobicContact CD1-CG2 4.31Å; I66-E878 HydrophobicContact CG2-CB 4.37Å; I66-E878 HydrophobicContact CG2-CG 4.16Å; I66-E881 HydrophobicContact CD1-CB 3.76Å; I66-E881 HydrophobicContact CG1-CB 4.13Å; I66-E881 HydrophobicContact CG2-CB 4.33Å; I66-I882 HydrophobicContact CB-CG1 4.31Å; I66-I882 HydrophobicContact CG1-CG1 4.04Å; I66-L885 HydrophobicContact CD1-CD1 3.74Å; I66-L885 HydrophobicContact CG1-CD1 4.06Å
67	H	88.3	Confident	80.8	Confident	62 Å²	62	63.8 Å²	63.8	29%	0.287	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-33.3	174.1	-70.2	-43.2	0	0	0	111.9	R63 K71 E878	R63-H67 WeakPolarHBondContact CD-NE2 3.38Å; R63-H67 WeakPolarHBondContact CG-NE2 2.93Å; R63-H67 PolarHBondContact O-CD2 2.89Å; R63-H67 PolarHBondContact O-N 2.65Å; H67-K71 VanDerWaalsContact O-CG 3.29Å; H67-K71 WeakPolarHBondContact O-CG 3.42Å; H67-K71 PolarHBondContact O-N 3.44Å; H67-K71 VanDerWaalsContact O-N 3.13Å; H67-E878 IonicContact CE1-OE1 2.63Å; H67-E878 IonicContact CE1-OE2 2.86Å; H67-E878 PolarHBondContact CE1-OE2 2.89Å; H67-E878 VanDerWaalsContact ND1-CD 3.3Å; H67-E878 IonicContact ND1-OE1 3.19Å; H67-E878 PolarHBondContact ND1-OE1 3.3Å; H67-E878 IonicContact ND1-OE2 2.7Å; H67-E878 PolarHBondContact ND1-OE2 3.27Å
68	S	84.3	Confident	79.3	Confident	51 Å²	51	64.5 Å²	64.5	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-76	-39	-176.9	-62	0	0	0	0	112.9	D64 I65 I66 Y72	D64-S68 WeakPolarHBondContact O-CB 3.46Å; D64-S68 PolarHBondContact O-N 3.26Å; D64-S68 VanDerWaalsContact O-N 3.12Å; D64-S68 PolarHBondContact O-OG 3.49Å; I65-S68 PolarHBondContact O-N 2.83Å; I65-S68 VanDerWaalsContact O-N 3.11Å; I66-S68 PolarHBondContact O-N 3.28Å; S68-Y72 WeakPolarHBondContact O-CD2 3.47Å
69	S	80.4	Confident	78.2	Confident	32 Å²	32	64 Å²	64	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-42.8	170.6	62.2	0	0	0	0	111.4	I65 I66 K71 Y72 S73	I65-S69 PolarHBondContact O-N 3.35Å; I66-S69 PolarHBondContact O-OG 2.69Å; I66-S69 VanDerWaalsContact O-OG 3.07Å; S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact O-N 3.27Å; S69-Y72 PolarHBondContact O-N 2.89Å; S69-S73 PolarHBondContact O-N 2.85Å; S69-S73 PolarHBondContact O-OG 2.96Å
70	R	77	Confident	77.8	Confident	65 Å²	65	60.2 Å²	60.2	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-30.1	179.2	-73.8	174.8	168.4	-130	-0.3	114.7	I66 Y72 S73 G74 P874 G877 E878 E881	I66-R70 WeakPolarHBondContact O-CB 3.38Å; I66-R70 VanDerWaalsContact O-CG 3.28Å; I66-R70 WeakPolarHBondContact O-CG 3.5Å; I66-R70 PolarHBondContact O-N 2.91Å; I66-R70 VanDerWaalsContact O-N 3.11Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; R70-Y72 PolarHBondContact O-N 3.24Å; R70-S73 WeakPolarHBondContact CA-OG 3.44Å; R70-S73 WeakPolarHBondContact O-CB 3.24Å; R70-S73 PolarHBondContact O-N 3.43Å; R70-G74 PolarHBondContact O-N 3.12Å; R70-G74 VanDerWaalsContact O-N 3.16Å; R70-P874 PolarHBondContact NH1-O 3.01Å; R70-G877 PolarHBondContact NH2-O 3.02Å; R70-E878 WeakPolarHBondContact CD-OE1 3.35Å; R70-E878 VanDerWaalsContact CZ-CG 3.45Å; R70-E878 IonicContact NH1-OE1 2.8Å; R70-E881 IonicContact CZ-OE2 3.06Å; R70-E881 VanDerWaalsContact CZ-OE2 3.27Å; R70-E881 IonicContact NE-OE2 2.77Å; R70-E881 PolarHBondContact NE-OE2 3.07Å; R70-E881 VanDerWaalsContact NH2-CD 3.29Å; R70-E881 IonicContact NH2-OE1 3.92Å; R70-E881 IonicContact NH2-OE2 3.34Å; R70-E881 PolarHBondContact NH2-OE2 3.14Å
71	K	70.9	Confident	77.6	Confident	140 Å²	140	56.4 Å²	56.4	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-56.2	-43.8	177.6	-81.1	163.1	-160.9	159.6	0	112.7	H67 S69	H67-K71 VanDerWaalsContact O-CG 3.29Å; H67-K71 WeakPolarHBondContact O-CG 3.42Å; H67-K71 PolarHBondContact O-N 3.44Å; H67-K71 VanDerWaalsContact O-N 3.13Å; S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact O-N 3.27Å
72	Y	60.2	Low	77.5	Confident	137 Å²	137	56.7 Å²	56.7	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-76.5	-33.6	178.8	-63.4	-82.3	0	0	0	111.9	S68 S69 R70 G74 M75	S68-Y72 WeakPolarHBondContact O-CD2 3.47Å; S69-Y72 PolarHBondContact O-N 2.89Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; R70-Y72 PolarHBondContact O-N 3.24Å; Y72-G74 PolarHBondContact O-N 3.07Å; Y72-M75 PolarHBondContact O-N 2.88Å
73	S	61.1	Low	77.4	Confident	19 Å²	19	60.2 Å²	60.2	13%	0.133	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-33.9	174.9	-38.2	0	0	0	0	112.9	S69 R70 M75 I76 V77 L691	S69-S73 PolarHBondContact O-N 2.85Å; S69-S73 PolarHBondContact O-OG 2.96Å; R70-S73 WeakPolarHBondContact CA-OG 3.44Å; R70-S73 WeakPolarHBondContact O-CB 3.24Å; R70-S73 PolarHBondContact O-N 3.43Å; S73-M75 PolarHBondContact O-N 2.75Å; S73-I76 PolarHBondContact O-N 2.8Å; S73-V77 WeakPolarHBondContact O-CB 3.42Å; S73-V77 VanDerWaalsContact O-CG2 3.24Å; S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 3.26Å; S73-L691 WeakPolarHBondContact OG-CD2 3.28Å
74	G	57.1	Low	77.4	Confident	53 Å²	53	58 Å²	58	55%	0.546	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.3	179	0	0	0	0	0	115.2	R70 Y72	R70-G74 PolarHBondContact O-N 3.12Å; R70-G74 VanDerWaalsContact O-N 3.16Å; Y72-G74 PolarHBondContact O-N 3.07Å
75	M	50.1	Low	77.5	Confident	153 Å²	153	56.9 Å²	56.9	75%	0.754	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-15.1	173.6	-58	-173.8	73.6	0	0	113.5	Y72 S73	Y72-M75 PolarHBondContact O-N 2.88Å; S73-M75 PolarHBondContact O-N 2.75Å
76	I	55.6	Low	77.7	Confident	26 Å²	26	55 Å²	55	13%	0.133	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-26.1	-173.9	-53	174	0	0	0	111.2	S73 N78 A628 P631 I688	S73-I76 PolarHBondContact O-N 2.8Å; I76-N78 PolarHBondContact O-N 2.73Å; I76-N78 VanDerWaalsContact O-N 3.11Å; I76-A628 HydrophobicContact CG1-CB 4.15Å; I76-P631 HydrophobicContact CD1-CG 4.26Å; I76-I688 HydrophobicContact CG2-CD1 4.06Å; I76-I688 HydrophobicContact CG2-CG1 3.9Å
77	V	55.8	Low	77.9	Confident	83 Å²	83	55.7 Å²	55.7	50%	0.503	29%	0.29	S	S	.	.			trans	-73.1	4.6	-176.7	168.4	0	0	0	0	114	S73 K79 I688	S73-V77 WeakPolarHBondContact O-CB 3.42Å; S73-V77 VanDerWaalsContact O-CG2 3.24Å; S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 3.26Å; V77-K79 PolarHBondContact O-N 3.32Å; V77-I688 HydrophobicContact CG2-CG2 4.35Å
78	N	67.1	Low	78.1	Confident	57 Å²	57	60.3 Å²	60.3	31%	0.305	31%	0.305	S	S	.	.	S	Bend	trans	-64.1	120.3	173.1	-75.7	-23.2	0	0	0	110.9	I76 A80	I76-N78 PolarHBondContact O-N 2.73Å; I76-N78 VanDerWaalsContact O-N 3.11Å; N78-A80 PolarHBondContact O-N 3.42Å; N78-A80 VanDerWaalsContact O-N 3.12Å
79	K	74.9	Confident	78.4	Confident	65 Å²	65	58.7 Å²	58.7	28%	0.283	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59.2	118.2	176.7	-171.1	-178.4	-179.4	-165.1	0	108.9	V77 H82 M105 V164	V77-K79 PolarHBondContact O-N 3.32Å; K79-H82 WeakPolarHBondContact CD-CE1 3.42Å; K79-H82 WeakPolarHBondContact CE-CE1 3.35Å; K79-H82 WeakPolarHBondContact CE-NE2 3.39Å; K79-H82 PolarHBondContact NZ-CD2 3.5Å; K79-H82 VanDerWaalsContact NZ-CD2 3.27Å; K79-H82 PolarHBondContact NZ-CE1 2.85Å; K79-H82 PolarHBondContact NZ-NE2 3.41Å; K79-M105 HydrophobicContact CB-CE 4.19Å; K79-V164 HydrophobicContact CB-CG2 4.32Å; K79-V164 HydrophobicContact CD-CB 4.4Å; K79-V164 HydrophobicContact CD-CG2 4.04Å
80	A	87.6	Confident	78.6	Confident	15 Å²	15	63.2 Å²	63.2	12%	0.124	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.8	153.7	178.5	0	0	0	0	0	111.7	N78 H82 V601 M625	N78-A80 PolarHBondContact O-N 3.42Å; N78-A80 VanDerWaalsContact O-N 3.12Å; A80-H82 PolarHBondContact O-N 3.38Å; A80-H82 PolarHBondContact O-ND1 2.93Å; A80-V601 HydrophobicContact CB-CG2 4.12Å; A80-M625 HydrophobicContact CB-CE 3.8Å; A80-M625 HydrophobicContact CB-SD 3.89Å
81	P	93.4	Very high	78.8	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.019	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-46.5	134.4	168.8	-32.1	37.7	0	0	0	112.8	F84 Y102 L103 W133 V601 M624	P81-F84 HydrophobicContact CB-CE1 3.62Å; P81-F84 HydrophobicContact CB-CZ 3.76Å; P81-F84 WeakPolarHBondContact O-CZ 3.4Å; P81-Y102 HydrophobicContact CB-CD2 3.7Å; P81-Y102 HydrophobicContact CB-CE2 4.1Å; P81-Y102 HydrophobicContact CB-CG 4.3Å; P81-Y102 HydrophobicContact CG-CD2 4.17Å; P81-Y102 HydrophobicContact CG-CE2 4.09Å; P81-L103 WeakPolarHBondContact CA-O 3.45Å; P81-W133 HydrophobicContact CG-CH2 3.77Å; P81-W133 HydrophobicContact CG-CZ2 3.45Å; P81-W133 VanDerWaalsContact CG-CZ2 3.45Å; P81-W133 HydrophobicContact CG-CZ3 4.47Å; P81-V601 HydrophobicContact CB-CG1 4.49Å; P81-M624 HydrophobicContact CB-CE 4.02Å; P81-M624 HydrophobicContact CG-CE 4.35Å
82	H	93.9	Very high	79.2	Confident	24 Å²	24	67.4 Å²	67.4	11%	0.111	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	176.6	-178.4	53.5	-73.3	0	0	0	110.5	K79 A80 F84 Y102 L103 N112	K79-H82 WeakPolarHBondContact CD-CE1 3.42Å; K79-H82 WeakPolarHBondContact CE-CE1 3.35Å; K79-H82 WeakPolarHBondContact CE-NE2 3.39Å; K79-H82 PolarHBondContact NZ-CD2 3.5Å; K79-H82 VanDerWaalsContact NZ-CD2 3.27Å; K79-H82 PolarHBondContact NZ-CE1 2.85Å; K79-H82 PolarHBondContact NZ-NE2 3.41Å; A80-H82 PolarHBondContact O-N 3.38Å; A80-H82 PolarHBondContact O-ND1 2.93Å; H82-F84 PolarHBondContact O-N 2.68Å; H82-Y102 WeakPolarHBondContact O-CA 3.31Å; H82-Y102 VanDerWaalsContact O-CB 3.26Å; H82-Y102 WeakPolarHBondContact O-CB 3.34Å; H82-L103 PolarHBondContact CE1-O 2.96Å; H82-L103 PolarHBondContact N-O 2.64Å; H82-L103 PolarHBondContact ND1-O 3.31Å; H82-L103 VanDerWaalsContact NE2-CB 3.3Å; H82-L103 WeakPolarHBondContact NE2-CB 3.42Å; H82-L103 PolarHBondContact O-N 2.76Å; H82-N112 PolarHBondContact CE1-ND2 2.78Å; H82-N112 PolarHBondContact CE1-OD1 2.83Å; H82-N112 VanDerWaalsContact CE1-OD1 3.27Å; H82-N112 PolarHBondContact NE2-ND2 2.87Å; H82-N112 VanDerWaalsContact NE2-ND2 3.11Å
83	D	94.9	Very high	80.3	Confident	75 Å²	75	66.2 Å²	66.2	40%	0.401	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	53.5	179.3	-57.2	-4.1	0	0	0	112.1	L103 Y170	D83-L103 HydrophobicContact CB-CD1 4.43Å; D83-L103 HydrophobicContact CB-CG 4.48Å; D83-Y170 HydrophobicContact CB-CD1 4.48Å; D83-Y170 HydrophobicContact CB-CE1 3.83Å; D83-Y170 VanDerWaalsContact O-CE1 3.32Å; D83-Y170 WeakPolarHBondContact O-CE1 3.36Å; D83-Y170 PolarHBondContact O-OH 3.31Å
84	F	96.2	Very high	81.6	Confident	29 Å²	29	66 Å²	66	13%	0.127	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.1	-172.8	-60.1	-74.5	0	0	0	113.3	P81 H82 L100 Y101 Y102 I589 V601 M624	P81-F84 HydrophobicContact CB-CE1 3.62Å; P81-F84 HydrophobicContact CB-CZ 3.76Å; P81-F84 WeakPolarHBondContact O-CZ 3.4Å; H82-F84 PolarHBondContact O-N 2.68Å; F84-L100 HydrophobicContact CB-CD1 4.16Å; F84-L100 HydrophobicContact CD1-CD1 4.21Å; F84-Y101 CarbonylContact C-O 3.41Å; F84-Y101 WeakPolarHBondContact CA-O 3.46Å; F84-Y102 HydrophobicContact CD1-CG 4.39Å; F84-Y102 HydrophobicContact CE1-CG 4.39Å; F84-I589 HydrophobicContact CB-CD1 3.83Å; F84-I589 HydrophobicContact CD1-CD1 3.36Å; F84-I589 HydrophobicContact CD2-CD1 4.1Å; F84-I589 HydrophobicContact CD2-CG2 4.31Å; F84-I589 HydrophobicContact CE1-CD1 3.85Å; F84-I589 HydrophobicContact CE1-CG2 4.14Å; F84-I589 HydrophobicContact CE2-CB 4.48Å; F84-I589 HydrophobicContact CE2-CG2 3.82Å; F84-I589 HydrophobicContact CG-CD1 3.5Å; F84-I589 HydrophobicContact CZ-CD1 4.38Å; F84-I589 HydrophobicContact CZ-CG2 3.71Å; F84-V601 HydrophobicContact CE1-CG1 4.47Å; F84-V601 HydrophobicContact CZ-CG1 3.94Å; F84-M624 HydrophobicContact CD1-CE 4.48Å; F84-M624 HydrophobicContact CE1-CE 3.86Å; F84-M624 HydrophobicContact CE1-SD 3.99Å
85	Q	96.8	Very high	83.3	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.5	170.6	-76	-71.3	8.5	0	0	111.7	Y101 Y170 F172	Q85-Y101 HydrophobicContact CB-CD2 4.48Å; Q85-Y101 PolarHBondContact N-O 3.03Å; Q85-Y101 PolarHBondContact O-N 2.91Å; Q85-Y170 WeakPolarHBondContact CB-OH 3.46Å; Q85-Y170 HydrophobicContact CG-CE2 4.16Å; Q85-Y170 WeakPolarHBondContact CG-OH 3.46Å; Q85-F172 HydrophobicContact CG-CD1 4.24Å
86	F	95.8	Very high	85.4	Confident	3 Å²	3	63 Å²	63	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.3	175.4	-79.9	-94.5	0	0	0	110.7	H98 L100 Q583 M587 I589 V603	F86-H98 HydrophobicContact CD1-CB 4.4Å; F86-L100 HydrophobicContact CD1-CD1 4.35Å; F86-L100 HydrophobicContact CD2-CD1 3.98Å; F86-L100 HydrophobicContact CE1-CD1 4.36Å; F86-L100 HydrophobicContact CE2-CD1 4Å; F86-L100 HydrophobicContact CG-CD1 4.17Å; F86-L100 HydrophobicContact CZ-CD1 4.2Å; F86-Q583 PolarHBondContact O-NE2 2.93Å; F86-M587 HydrophobicContact CE1-CB 3.82Å; F86-M587 HydrophobicContact CE1-SD 4.05Å; F86-M587 HydrophobicContact CZ-CB 4Å; F86-I589 HydrophobicContact CE2-CD1 3.61Å; F86-I589 HydrophobicContact CE2-CG1 3.89Å; F86-I589 HydrophobicContact CZ-CD1 3.74Å; F86-I589 HydrophobicContact CZ-CG1 3.75Å; F86-V603 HydrophobicContact CZ-CG1 4.45Å
87	V	95.1	Very high	87.2	Confident	16 Å²	16	62.6 Å²	62.6	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.9	173	179.1	0	0	0	0	110	H98 R99 Y101 F172 F198	V87-H98 CarbonylContact O-C 3.59Å; V87-H98 VanDerWaalsContact O-CA 3.25Å; V87-H98 WeakPolarHBondContact O-CA 3.48Å; V87-R99 PolarHBondContact N-O 3.03Å; V87-R99 PolarHBondContact O-N 2.89Å; V87-Y101 HydrophobicContact CB-CE2 3.96Å; V87-Y101 HydrophobicContact CG2-CD2 4.05Å; V87-Y101 HydrophobicContact CG2-CE2 3.65Å; V87-F172 HydrophobicContact CG2-CE1 3.79Å; V87-F172 HydrophobicContact CG2-CZ 3.69Å; V87-F198 HydrophobicContact CG1-CE1 4.13Å; V87-F198 HydrophobicContact CG1-CZ 4.02Å
88	R	92.1	Very high	89.1	Confident	159 Å²	159	58.9 Å²	58.9	60%	0.6	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.9	-175.2	-174.4	173.1	172.5	177.7	-2.3	111.6	H98	R88-H98 VanDerWaalsContact CA-CD2 3.44Å; R88-H98 WeakPolarHBondContact CA-CD2 3.47Å
89	K	91.1	Very high	90.5	Very high	18 Å²	18	56.5 Å²	56.5	8%	0.078	29%	0.294	C	S	.	.			trans	-96.7	118.1	170.4	-60.1	-159.5	172	177.8	0	109.3	H96 S97 E118 F198	K89-H96 HydrophobicContact CD-CB 4.3Å; K89-S97 PolarHBondContact N-O 2.93Å; K89-E118 WeakPolarHBondContact CE-OE2 3.36Å; K89-E118 IonicContact NZ-OE1 2.89Å; K89-E118 PolarHBondContact NZ-OE1 3.48Å; K89-E118 IonicContact NZ-OE2 3.7Å; K89-E118 PolarHBondContact NZ-OE2 2.87Å; K89-F198 HydrophobicContact CB-CE2 4.45Å; K89-F198 HydrophobicContact CD-CD2 4.09Å; K89-F198 HydrophobicContact CD-CE2 4.03Å; K89-F198 HydrophobicContact CD-CG 4.49Å; K89-F198 HydrophobicContact CD-CZ 4.35Å; K89-F198 HydrophobicContact CG-CD2 4.29Å; K89-F198 HydrophobicContact CG-CE1 4.48Å; K89-F198 HydrophobicContact CG-CE2 3.7Å; K89-F198 HydrophobicContact CG-CZ 3.81Å
90	T	83.4	Confident	91.6	Very high	127 Å²	127	53.4 Å²	53.4	78%	0.779	28%	0.281	S	S	*	.			trans	-83.2	-21.5	-176.7	46	0	0	0	0	113.3	E92	T90-E92 PolarHBondContact O-N 2.85Å
91	E	82.4	Confident	92.1	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	28%	0.275	S	S	.	.			trans	-60.2	117.3	176.7	-66.9	170.7	-175.9	0	0	112.1	S93 S94 K121	E91-S93 VanDerWaalsContact C-N 3.31Å; E91-S93 PolarHBondContact O-N 2.79Å; E91-S94 PolarHBondContact O-N 3.07Å; E91-K121 PolarHBondContact O-NZ 3.37Å
92	E	78.7	Confident	92.3	Very high	186 Å²	186	52.5 Å²	52.5	87%	0.869	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-38.4	176.6	-65.4	-160.6	143	0	0	112.6	T90 S94 K121	T90-E92 PolarHBondContact O-N 2.85Å; E92-S94 VanDerWaalsContact C-N 3.3Å; E92-S94 PolarHBondContact O-N 2.86Å; E92-K121 PolarHBondContact O-NZ 3.15Å
93	S	84.2	Confident	92.3	Very high	112 Å²	112	51.4 Å²	51.4	78%	0.783	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	178.8	52.7	0	0	0	0	114.2	E91	E91-S93 VanDerWaalsContact C-N 3.31Å; E91-S93 PolarHBondContact O-N 2.79Å
94	S	86.6	Confident	92.2	Very high	16 Å²	16	47.8 Å²	47.8	11%	0.112	25%	0.249	C	C	.	.			trans	-64.9	134.8	-178	-167.2	0	0	0	0	111.1	E91 E92 H96 K121	E91-S94 PolarHBondContact O-N 3.07Å; E92-S94 VanDerWaalsContact C-N 3.3Å; E92-S94 PolarHBondContact O-N 2.86Å; S94-H96 PolarHBondContact O-N 2.88Å; S94-K121 VanDerWaalsContact O-CD 3.31Å; S94-K121 WeakPolarHBondContact O-CD 3.4Å; S94-K121 VanDerWaalsContact O-CE 3.23Å; S94-K121 WeakPolarHBondContact O-CE 3.44Å; S94-K121 PolarHBondContact O-NZ 2.97Å
95	P	92.8	Very high	91.8	Very high	90 Å²	90	47.2 Å²	47.2	58%	0.584	25%	0.247	S	C	*	.	S	Bend	trans	-70.7	-9.5	175.2	28.8	-34	0	0	0	113	K121	P95-K121 PolarHBondContact O-N 3.08Å
96	H	94.8	Very high	90.8	Very high	51 Å²	51	44.9 Å²	44.9	24%	0.236	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145	-176.2	-53.5	-60.9	0	0	0	111.9	K89 S94 E118 I119 K121	K89-H96 HydrophobicContact CD-CB 4.3Å; S94-H96 PolarHBondContact O-N 2.88Å; H96-E118 WeakPolarHBondContact CB-OE2 3.44Å; H96-E118 IonicContact CD2-OE2 2.73Å; H96-E118 PolarHBondContact CD2-OE2 3.22Å; H96-E118 IonicContact CG-OE2 3.64Å; H96-E118 VanDerWaalsContact CG-OE2 3.29Å; H96-I119 CarbonylContact C-O 3.57Å; H96-I119 VanDerWaalsContact CA-O 3.3Å; H96-I119 WeakPolarHBondContact CA-O 3.24Å; H96-K121 VanDerWaalsContact O-CE 3.27Å; H96-K121 WeakPolarHBondContact O-CE 3.37Å
97	S	94.5	Very high	89.6	Confident	19 Å²	19	52.9 Å²	52.9	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-36.8	178	58.1	0	0	0	0	112	K89 I119	K89-S97 PolarHBondContact N-O 2.93Å; S97-I119 PolarHBondContact N-O 3.24Å; S97-I119 PolarHBondContact OG-O 3.1Å; S97-I119 VanDerWaalsContact OG-O 3.1Å
98	H	95.4	Very high	88.2	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.023	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149.1	-178.5	-60.3	88.4	0	0	0	110.5	F86 V87 R88 I119 D586	F86-H98 HydrophobicContact CD1-CB 4.4Å; V87-H98 CarbonylContact O-C 3.59Å; V87-H98 VanDerWaalsContact O-CA 3.25Å; V87-H98 WeakPolarHBondContact O-CA 3.48Å; R88-H98 VanDerWaalsContact CA-CD2 3.44Å; R88-H98 WeakPolarHBondContact CA-CD2 3.47Å; H98-I119 HydrophobicContact CB-CB 4.09Å; H98-I119 HydrophobicContact CB-CG1 4.03Å; H98-I119 PolarHBondContact O-N 2.7Å; H98-D586 IonicContact CE1-OD2 2.71Å; H98-D586 PolarHBondContact CE1-OD2 3.2Å; H98-D586 IonicContact NE2-OD2 3.39Å
99	R	96.5	Very high	87.3	Confident	6 Å²	6	50.7 Å²	50.7	2%	0.023	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.6	149.3	-178.7	163.1	-70.8	179.2	-4.2	107.6	V87 Y101 Y116 E118 D192 F198 M199	V87-R99 PolarHBondContact N-O 3.03Å; V87-R99 PolarHBondContact O-N 2.89Å; R99-Y101 VanDerWaalsContact CD-CZ 3.43Å; R99-Y101 WeakPolarHBondContact CD-OH 3.35Å; R99-Y101 HydrophobicContact CG-CD1 4.25Å; R99-Y101 HydrophobicContact CG-CD2 4.48Å; R99-Y101 HydrophobicContact CG-CE1 3.83Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; R99-Y116 HydrophobicContact CG-CD2 3.94Å; R99-Y116 HydrophobicContact CG-CG 4.32Å; R99-Y116 VanDerWaalsContact NE-CD2 3.29Å; R99-E118 IonicContact CZ-OE1 2.83Å; R99-E118 IonicContact NE-OE1 2.86Å; R99-E118 PolarHBondContact NE-OE1 3.1Å; R99-E118 IonicContact NH2-OE1 3.01Å; R99-E118 PolarHBondContact NH2-OE1 2.84Å; R99-D192 IonicContact CZ-OD2 3.98Å; R99-D192 VanDerWaalsContact NH1-CG 3.32Å; R99-D192 IonicContact NH1-OD1 3.36Å; R99-D192 PolarHBondContact NH1-OD1 2.7Å; R99-D192 VanDerWaalsContact NH1-OD1 3.15Å; R99-D192 IonicContact NH1-OD2 3.53Å; R99-D192 PolarHBondContact NH1-OD2 2.99Å; R99-F198 HydrophobicContact CB-CD1 4.23Å; R99-F198 HydrophobicContact CB-CE1 3.96Å; R99-M199 PolarHBondContact NH1-O 3.06Å; R99-M199 PolarHBondContact NH2-O 2.83Å
100	L	97.3	Very high	86.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	174.8	171.9	62	0	0	0	107.7	F84 F86 Y102 Y116 S117 I119 I589 V603 M624	F84-L100 HydrophobicContact CB-CD1 4.16Å; F84-L100 HydrophobicContact CD1-CD1 4.21Å; F86-L100 HydrophobicContact CD1-CD1 4.35Å; F86-L100 HydrophobicContact CD2-CD1 3.98Å; F86-L100 HydrophobicContact CE1-CD1 4.36Å; F86-L100 HydrophobicContact CE2-CD1 4Å; F86-L100 HydrophobicContact CG-CD1 4.17Å; F86-L100 HydrophobicContact CZ-CD1 4.2Å; L100-Y102 HydrophobicContact CG-CD1 4.17Å; L100-Y116 CarbonylContact O-C 3.36Å; L100-Y116 WeakPolarHBondContact O-CA 3.33Å; L100-Y116 WeakPolarHBondContact O-CB 3.27Å; L100-S117 PolarHBondContact N-O 3.1Å; L100-S117 PolarHBondContact O-N 2.82Å; L100-I119 HydrophobicContact CB-CD1 4.12Å; L100-I119 HydrophobicContact CB-CG1 4.18Å; L100-I119 HydrophobicContact CD2-CD1 4.18Å; L100-I589 HydrophobicContact CD1-CD1 3.66Å; L100-I589 HydrophobicContact CD2-CD1 3.53Å; L100-I589 HydrophobicContact CD2-CG1 4.47Å; L100-I589 HydrophobicContact CG-CD1 4.21Å; L100-V603 HydrophobicContact CD2-CG2 4.49Å; L100-M624 HydrophobicContact CD2-CE 3.8Å; L100-M624 HydrophobicContact CD2-SD 3.53Å; L100-M624 VanDerWaalsContact CD2-SD 3.53Å
101	Y	97.6	Very high	86.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	150	173.7	-53.8	-81.5	0	0	0	110.4	F84 Q85 V87 R99 L115 M136 F179 D192 G193	F84-Y101 CarbonylContact C-O 3.41Å; F84-Y101 WeakPolarHBondContact CA-O 3.46Å; Q85-Y101 HydrophobicContact CB-CD2 4.48Å; Q85-Y101 PolarHBondContact N-O 3.03Å; Q85-Y101 PolarHBondContact O-N 2.91Å; V87-Y101 HydrophobicContact CB-CE2 3.96Å; V87-Y101 HydrophobicContact CG2-CD2 4.05Å; V87-Y101 HydrophobicContact CG2-CE2 3.65Å; R99-Y101 VanDerWaalsContact CD-CZ 3.43Å; R99-Y101 WeakPolarHBondContact CD-OH 3.35Å; R99-Y101 HydrophobicContact CG-CD1 4.25Å; R99-Y101 HydrophobicContact CG-CD2 4.48Å; R99-Y101 HydrophobicContact CG-CE1 3.83Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; Y101-L115 WeakPolarHBondContact CA-O 3.23Å; Y101-M136 HydrophobicContact CD1-CE 4.48Å; Y101-M136 HydrophobicContact CD1-SD 4.47Å; Y101-M136 HydrophobicContact CE1-CE 4.14Å; Y101-F179 HydrophobicContact CD1-CE1 4.24Å; Y101-F179 AromaticContact CD1-CZ 3.67Å; Y101-F179 HydrophobicContact CD1-CZ 3.67Å; Y101-F179 HydrophobicContact CD2-CE1 4.44Å; Y101-F179 AromaticContact CD2-CZ 3.76Å; Y101-F179 HydrophobicContact CD2-CZ 3.76Å; Y101-F179 HydrophobicContact CE1-CE2 4.27Å; Y101-F179 AromaticContact CE1-CZ 3.77Å; Y101-F179 HydrophobicContact CE1-CZ 3.77Å; Y101-F179 HydrophobicContact CE2-CE2 4.46Å; Y101-F179 AromaticContact CE2-CZ 3.82Å; Y101-F179 HydrophobicContact CE2-CZ 3.82Å; Y101-F179 HydrophobicContact CG-CE1 4.08Å; Y101-F179 AromaticContact CG-CZ 3.65Å; Y101-F179 HydrophobicContact CG-CZ 3.65Å; Y101-F179 AromaticContact CZ-CZ 3.82Å; Y101-D192 HydrophobicContact CE1-CB 4.31Å; Y101-D192 VanDerWaalsContact CE1-OD2 3.26Å; Y101-D192 WeakPolarHBondContact CE1-OD2 3.31Å; Y101-D192 VanDerWaalsContact OH-C 3.25Å; Y101-D192 VanDerWaalsContact OH-CG 3.27Å; Y101-D192 PolarHBondContact OH-O 3.27Å; Y101-D192 VanDerWaalsContact OH-O 3.07Å; Y101-D192 PolarHBondContact OH-OD2 2.88Å; Y101-D192 VanDerWaalsContact OH-OD2 3.05Å; Y101-G193 PolarHBondContact OH-N 3.19Å
102	Y	97.3	Very high	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	161.7	179.3	49.4	-82.1	0	0	0	111	P81 H82 F84 L100 L115 S117 W133 M624	P81-Y102 HydrophobicContact CB-CD2 3.7Å; P81-Y102 HydrophobicContact CB-CE2 4.1Å; P81-Y102 HydrophobicContact CB-CG 4.3Å; P81-Y102 HydrophobicContact CG-CD2 4.17Å; P81-Y102 HydrophobicContact CG-CE2 4.09Å; H82-Y102 WeakPolarHBondContact O-CA 3.31Å; H82-Y102 VanDerWaalsContact O-CB 3.26Å; H82-Y102 WeakPolarHBondContact O-CB 3.34Å; F84-Y102 HydrophobicContact CD1-CG 4.39Å; F84-Y102 HydrophobicContact CE1-CG 4.39Å; L100-Y102 HydrophobicContact CG-CD1 4.17Å; Y102-L115 HydrophobicContact CD2-CB 3.75Å; Y102-L115 HydrophobicContact CD2-CD1 4.22Å; Y102-L115 HydrophobicContact CE1-CB 4.43Å; Y102-L115 HydrophobicContact CE2-CB 3.43Å; Y102-L115 VanDerWaalsContact CE2-CB 3.43Å; Y102-L115 HydrophobicContact CE2-CD1 3.71Å; Y102-L115 HydrophobicContact CE2-CG 4.22Å; Y102-L115 HydrophobicContact CG-CB 4.39Å; Y102-L115 PolarHBondContact N-O 2.94Å; Y102-L115 PolarHBondContact O-N 3.15Å; Y102-S117 PolarHBondContact OH-OG 2.61Å; Y102-W133 HydrophobicContact CE2-CD2 4.34Å; Y102-W133 HydrophobicContact CE2-CG 4.31Å; Y102-W133 WeakPolarHBondContact OH-CA 3.31Å; Y102-W133 WeakPolarHBondContact OH-CB 3.42Å; Y102-W133 VanDerWaalsContact OH-CG 3.26Å; Y102-M624 HydrophobicContact CD1-CE 3.53Å; Y102-M624 HydrophobicContact CD2-CE 4.15Å; Y102-M624 HydrophobicContact CE1-CE 3.28Å; Y102-M624 HydrophobicContact CE2-CE 3.92Å; Y102-M624 HydrophobicContact CG-CE 3.97Å; Y102-M624 VanDerWaalsContact CZ-CE 3.49Å
103	L	95.4	Very high	87.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.3	162.4	-70.6	179.6	0	0	0	110.4	P81 H82 D83 S113 L114 I167 Y170	P81-L103 WeakPolarHBondContact CA-O 3.45Å; H82-L103 PolarHBondContact CE1-O 2.96Å; H82-L103 PolarHBondContact N-O 2.64Å; H82-L103 PolarHBondContact ND1-O 3.31Å; H82-L103 VanDerWaalsContact NE2-CB 3.3Å; H82-L103 WeakPolarHBondContact NE2-CB 3.42Å; H82-L103 PolarHBondContact O-N 2.76Å; D83-L103 HydrophobicContact CB-CD1 4.43Å; D83-L103 HydrophobicContact CB-CG 4.48Å; L103-S113 WeakPolarHBondContact CA-O 3.23Å; L103-L114 HydrophobicContact CD2-CD2 3.75Å; L103-L114 HydrophobicContact CD2-CG 3.94Å; L103-I167 HydrophobicContact CD1-CG2 4.34Å; L103-I167 HydrophobicContact CD2-CB 4.09Å; L103-I167 HydrophobicContact CD2-CG2 3.76Å; L103-Y170 HydrophobicContact CD1-CD1 4.09Å; L103-Y170 HydrophobicContact CD2-CD1 4.21Å; L103-Y170 HydrophobicContact CG-CD1 3.85Å; L103-Y170 HydrophobicContact CG-CE1 4.07Å
104	G	92.2	Very high	88.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	168.9	172.3	0	0	0	0	0	112.2	P106 N112 S113	G104-P106 WeakPolarHBondContact O-CD 3.35Å; G104-N112 WeakPolarHBondContact CA-OD1 3.48Å; G104-N112 PolarHBondContact N-OD1 3.43Å; G104-N112 PolarHBondContact O-OD1 2.71Å; G104-S113 PolarHBondContact N-O 2.91Å; G104-S113 VanDerWaalsContact N-O 3.15Å; G104-S113 PolarHBondContact O-N 2.6Å
105	M	88.3	Confident	88.6	Confident	16 Å²	16	37.1 Å²	37.1	8%	0.079	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-93.7	116.9	175.5	-64.1	-154.8	-71	0	0	110.7	K79 N112 W133 V164	K79-M105 HydrophobicContact CB-CE 4.19Å; M105-N112 HydrophobicContact CG-CB 4.23Å; M105-W133 WeakPolarHBondContact O-CZ3 3.35Å; M105-V164 HydrophobicContact CE-CG1 4.26Å; M105-V164 HydrophobicContact CG-CG1 4.28Å; M105-V164 HydrophobicContact SD-CG1 3.57Å; M105-V164 VanDerWaalsContact SD-CG1 3.57Å
106	P	75.7	Confident	88.8	Confident	12 Å²	12	33 Å²	33	8%	0.078	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-59.1	147.8	176.1	-17.8	25.2	0	0	0	112.5	G104 G108 S109 E111 L115 Q135	G104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-G108 PolarHBondContact O-N 3.11Å; P106-S109 VanDerWaalsContact O-CB 3.28Å; P106-S109 WeakPolarHBondContact O-CB 3.49Å; P106-S109 PolarHBondContact O-N 3.49Å; P106-E111 WeakPolarHBondContact CD-O 3.31Å; P106-L115 HydrophobicContact CG-CD2 4.27Å; P106-Q135 HydrophobicContact CG-CG 4.44Å
107	Y	69.9	Low	88.9	Confident	171 Å²	171	30.6 Å²	30.6	67%	0.671	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	122.1	173	-67.5	-80.1	0	0	0	111.5	S109 W133	Y107-S109 VanDerWaalsContact C-N 3.34Å; Y107-W133 HydrophobicContact CE2-CD2 4.46Å; Y107-W133 HydrophobicContact CE2-CE3 4.39Å
108	G	66.4	Low	89	Confident	90 Å²	90	30.4 Å²	30.4	93%	0.928	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-7.2	-176.8	0	0	0	0	0	115.3	P106	P106-G108 PolarHBondContact O-N 3.11Å
109	S	73.7	Confident	89	Confident	40 Å²	40	30.2 Å²	30.2	28%	0.28	16%	0.157	S	C	.	.			trans	-89.6	161	170.4	-171.7	0	0	0	0	111.7	P106 Y107 E111	P106-S109 VanDerWaalsContact O-CB 3.28Å; P106-S109 WeakPolarHBondContact O-CB 3.49Å; P106-S109 PolarHBondContact O-N 3.49Å; Y107-S109 VanDerWaalsContact C-N 3.34Å; S109-E111 PolarHBondContact OG-N 2.87Å; S109-E111 PolarHBondContact OG-O 2.9Å
110	R	74.4	Confident	89	Confident	222 Å²	222	30.9 Å²	30.9	84%	0.838	16%	0.162	S	C	*	.			trans	-115.9	5.3	165.2	-65.8	-174.4	176.6	-169.8	-1.2	112.9
111	E	84.3	Confident	88.8	Confident	39 Å²	39	34.5 Å²	34.5	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.1	178.4	-55.9	-162.3	148.7	0	0	111	P106 S109 A142 T143	P106-E111 WeakPolarHBondContact CD-O 3.31Å; S109-E111 PolarHBondContact OG-N 2.87Å; S109-E111 PolarHBondContact OG-O 2.9Å; E111-A142 PolarHBondContact OE2-N 3.14Å; E111-T143 VanDerWaalsContact CD-OG1 3.24Å; E111-T143 WeakPolarHBondContact OE1-CB 3.24Å; E111-T143 PolarHBondContact OE1-N 2.88Å; E111-T143 PolarHBondContact OE1-OG1 3.16Å
112	N	90.8	Very high	88.5	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.011	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.9	169	-155.7	50.8	0	0	0	109.4	H82 G104 M105 V164 F165 G166 I167	H82-N112 PolarHBondContact CE1-ND2 2.78Å; H82-N112 PolarHBondContact CE1-OD1 2.83Å; H82-N112 VanDerWaalsContact CE1-OD1 3.27Å; H82-N112 PolarHBondContact NE2-ND2 2.87Å; H82-N112 VanDerWaalsContact NE2-ND2 3.11Å; G104-N112 WeakPolarHBondContact CA-OD1 3.48Å; G104-N112 PolarHBondContact N-OD1 3.43Å; G104-N112 PolarHBondContact O-OD1 2.71Å; M105-N112 HydrophobicContact CG-CB 4.23Å; N112-V164 HydrophobicContact CB-CG1 3.99Å; N112-F165 VanDerWaalsContact CB-O 3.25Å; N112-F165 WeakPolarHBondContact CB-O 3.28Å; N112-F165 PolarHBondContact N-O 3.1Å; N112-G166 CarbonylContact O-C 3.5Å; N112-I167 WeakPolarHBondContact CB-O 3.23Å; N112-I167 PolarHBondContact ND2-O 3.11Å; N112-I167 PolarHBondContact O-N 2.74Å
113	S	93.1	Very high	88.1	Confident	15 Å²	15	45.5 Å²	45.5	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.2	-174.6	-165.4	0	0	0	0	111.7	L103 G104	L103-S113 WeakPolarHBondContact CA-O 3.23Å; G104-S113 PolarHBondContact N-O 2.91Å; G104-S113 VanDerWaalsContact N-O 3.15Å; G104-S113 PolarHBondContact O-N 2.6Å
114	L	95.4	Very high	87.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.1	176.6	-77.4	167.5	0	0	0	110.9	L103 M136 L137 I167 Y170 F179 F181	L103-L114 HydrophobicContact CD2-CD2 3.75Å; L103-L114 HydrophobicContact CD2-CG 3.94Å; L114-M136 HydrophobicContact CB-CB 3.98Å; L114-M136 HydrophobicContact CB-SD 3.88Å; L114-M136 HydrophobicContact CD1-SD 4.15Å; L114-M136 HydrophobicContact CG-SD 4.49Å; L114-M136 WeakPolarHBondContact O-CB 3.14Å; L114-M136 PolarHBondContact O-N 3.19Å; L114-L137 HydrophobicContact CB-CD1 4.39Å; L114-L137 HydrophobicContact CB-CG 4.31Å; L114-L137 HydrophobicContact CD1-CD1 4.49Å; L114-I167 HydrophobicContact CD1-CD1 4.48Å; L114-I167 HydrophobicContact CG-CD1 4.34Å; L114-Y170 HydrophobicContact CD2-CD1 3.72Å; L114-Y170 HydrophobicContact CD2-CD2 4.26Å; L114-Y170 HydrophobicContact CD2-CE1 3.97Å; L114-Y170 HydrophobicContact CD2-CE2 4.46Å; L114-Y170 HydrophobicContact CD2-CG 3.87Å; L114-F179 HydrophobicContact CD1-CD1 4.38Å; L114-F179 HydrophobicContact CD2-CD1 4.38Å; L114-F181 HydrophobicContact CD1-CD1 3.65Å; L114-F181 HydrophobicContact CD1-CE1 3.48Å; L114-F181 VanDerWaalsContact CD1-CE1 3.48Å; L114-F181 HydrophobicContact CD1-CG 4.37Å; L114-F181 HydrophobicContact CD1-CZ 4.07Å
115	L	95.2	Very high	87	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	158.7	-178.1	-63.3	179	0	0	0	110.1	Y101 Y102 P106 W133 K134 Q135	Y101-L115 WeakPolarHBondContact CA-O 3.23Å; Y102-L115 HydrophobicContact CD2-CB 3.75Å; Y102-L115 HydrophobicContact CD2-CD1 4.22Å; Y102-L115 HydrophobicContact CE1-CB 4.43Å; Y102-L115 HydrophobicContact CE2-CB 3.43Å; Y102-L115 VanDerWaalsContact CE2-CB 3.43Å; Y102-L115 HydrophobicContact CE2-CD1 3.71Å; Y102-L115 HydrophobicContact CE2-CG 4.22Å; Y102-L115 HydrophobicContact CG-CB 4.39Å; Y102-L115 PolarHBondContact N-O 2.94Å; Y102-L115 PolarHBondContact O-N 3.15Å; P106-L115 HydrophobicContact CG-CD2 4.27Å; L115-W133 HydrophobicContact CD1-CB 4.44Å; L115-W133 HydrophobicContact CD1-CD2 4.41Å; L115-W133 HydrophobicContact CD1-CE3 3.81Å; L115-K134 CarbonylContact C-O 3.57Å; L115-K134 WeakPolarHBondContact CA-O 3.39Å; L115-Q135 HydrophobicContact CD2-CG 4.01Å
116	Y	96.7	Very high	86.7	Confident	3 Å²	3	71.7 Å²	71.7	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.7	170.4	74.9	-87.8	0	0	0	113.8	R99 L100 K134 M136 M199	R99-Y116 HydrophobicContact CG-CD2 3.94Å; R99-Y116 HydrophobicContact CG-CG 4.32Å; R99-Y116 VanDerWaalsContact NE-CD2 3.29Å; L100-Y116 CarbonylContact O-C 3.36Å; L100-Y116 WeakPolarHBondContact O-CA 3.33Å; L100-Y116 WeakPolarHBondContact O-CB 3.27Å; Y116-K134 HydrophobicContact CD1-CB 3.92Å; Y116-K134 HydrophobicContact CD2-CB 4.18Å; Y116-K134 HydrophobicContact CD2-CD 4.09Å; Y116-K134 HydrophobicContact CE1-CB 3.62Å; Y116-K134 HydrophobicContact CE1-CD 4.46Å; Y116-K134 HydrophobicContact CE2-CB 3.91Å; Y116-K134 HydrophobicContact CE2-CD 3.37Å; Y116-K134 HydrophobicContact CE2-CG 4.27Å; Y116-K134 HydrophobicContact CG-CB 4.2Å; Y116-K134 PolarHBondContact N-O 3.1Å; Y116-K134 WeakPolarHBondContact O-CB 3.46Å; Y116-K134 PolarHBondContact O-N 3.26Å; Y116-M136 HydrophobicContact CD1-CB 4.34Å; Y116-M199 HydrophobicContact CE1-CG 4.2Å; Y116-M199 HydrophobicContact CE1-SD 4.11Å
117	S	96.8	Very high	87	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.7	172.8	-68.7	0	0	0	0	111.6	L100 Y102 S132	L100-S117 PolarHBondContact N-O 3.1Å; L100-S117 PolarHBondContact O-N 2.82Å; Y102-S117 PolarHBondContact OH-OG 2.61Å; S117-S132 PolarHBondContact OG-O 3.12Å
118	E	96.5	Very high	87.9	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.075	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.3	-176.4	-71.7	-67.3	155.6	0	0	110.6	K89 H96 R99 P120	K89-E118 WeakPolarHBondContact CE-OE2 3.36Å; K89-E118 IonicContact NZ-OE1 2.89Å; K89-E118 PolarHBondContact NZ-OE1 3.48Å; K89-E118 IonicContact NZ-OE2 3.7Å; K89-E118 PolarHBondContact NZ-OE2 2.87Å; H96-E118 WeakPolarHBondContact CB-OE2 3.44Å; H96-E118 IonicContact CD2-OE2 2.73Å; H96-E118 PolarHBondContact CD2-OE2 3.22Å; H96-E118 IonicContact CG-OE2 3.64Å; H96-E118 VanDerWaalsContact CG-OE2 3.29Å; R99-E118 IonicContact CZ-OE1 2.83Å; R99-E118 IonicContact NE-OE1 2.86Å; R99-E118 PolarHBondContact NE-OE1 3.1Å; R99-E118 IonicContact NH2-OE1 3.01Å; R99-E118 PolarHBondContact NH2-OE1 2.84Å; E118-P120 WeakPolarHBondContact O-CD 3.38Å
119	I	96.4	Very high	89.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.5	-176.9	-49	-57	0	0	0	109.4	H96 S97 H98 L100 L131 M587	H96-I119 CarbonylContact C-O 3.57Å; H96-I119 VanDerWaalsContact CA-O 3.3Å; H96-I119 WeakPolarHBondContact CA-O 3.24Å; S97-I119 PolarHBondContact N-O 3.24Å; S97-I119 PolarHBondContact OG-O 3.1Å; S97-I119 VanDerWaalsContact OG-O 3.1Å; H98-I119 HydrophobicContact CB-CB 4.09Å; H98-I119 HydrophobicContact CB-CG1 4.03Å; H98-I119 PolarHBondContact O-N 2.7Å; L100-I119 HydrophobicContact CB-CD1 4.12Å; L100-I119 HydrophobicContact CB-CG1 4.18Å; L100-I119 HydrophobicContact CD2-CD1 4.18Å; I119-L131 HydrophobicContact CD1-CD1 3.5Å; I119-L131 VanDerWaalsContact CD1-CD1 3.5Å; I119-L131 HydrophobicContact CD1-CD2 4.49Å; I119-M587 HydrophobicContact CG2-CE 3.92Å; I119-M587 HydrophobicContact CG2-SD 3.82Å
120	P	95.4	Very high	90.2	Very high	21 Å²	21	72.4 Å²	72.4	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	154.9	-176	30.5	-37.4	0	0	0	112.7	E118 K122 V123 L129 W621	E118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-K122 VanDerWaalsContact C-N 3.3Å; P120-V123 HydrophobicContact CG-CG1 3.62Å; P120-L129 HydrophobicContact CG-CD2 3.61Å; P120-W621 WeakPolarHBondContact O-CZ2 3.45Å; P120-W621 PolarHBondContact O-NE1 3.09Å; P120-W621 VanDerWaalsContact O-NE1 3.12Å
121	K	93.3	Very high	91.2	Very high	75 Å²	75	62.2 Å²	62.2	33%	0.326	30%	0.3	S	S	.	.	S	Bend	trans	-71.3	-22.2	173.4	-74.5	178.1	177.5	158.8	0	113.3	E91 E92 S94 P95 H96	E91-K121 PolarHBondContact O-NZ 3.37Å; E92-K121 PolarHBondContact O-NZ 3.15Å; S94-K121 VanDerWaalsContact O-CD 3.31Å; S94-K121 WeakPolarHBondContact O-CD 3.4Å; S94-K121 VanDerWaalsContact O-CE 3.23Å; S94-K121 WeakPolarHBondContact O-CE 3.44Å; S94-K121 PolarHBondContact O-NZ 2.97Å; P95-K121 PolarHBondContact O-N 3.08Å; H96-K121 VanDerWaalsContact O-CE 3.27Å; H96-K121 WeakPolarHBondContact O-CE 3.37Å
122	K	90.4	Very high	91.6	Very high	186 Å²	186	64 Å²	64	81%	0.809	32%	0.316	S	S	*	.			trans	-143.9	143.2	179.5	-64.2	179.3	-179.3	176.2	0	109.8	P120	P120-K122 VanDerWaalsContact C-N 3.3Å
123	V	90.2	Very high	91.7	Very high	45 Å²	45	66.1 Å²	66.1	27%	0.273	32%	0.324	S	S	.	.			trans	-124.2	152.2	173	-67.3	0	0	0	0	110.6	P120 L129 W621	P120-V123 HydrophobicContact CG-CG1 3.62Å; V123-L129 HydrophobicContact CG1-CD2 3.73Å; V123-W621 HydrophobicContact CG1-CD2 4.34Å; V123-W621 HydrophobicContact CG1-CZ2 4.4Å; V123-W621 HydrophobicContact CG2-CD2 4.01Å; V123-W621 HydrophobicContact CG2-CE3 3.86Å; V123-W621 HydrophobicContact CG2-CH2 4.23Å; V123-W621 HydrophobicContact CG2-CZ2 4.37Å; V123-W621 HydrophobicContact CG2-CZ3 3.97Å
124	R	85.5	Confident	91.8	Very high	204 Å²	204	68.8 Å²	68.8	77%	0.77	33%	0.334	S	S	*	.			trans	-79.4	137.5	170.6	-66.8	-175.3	-176.5	-179	1.1	108.1	E126	R124-E126 VanDerWaalsContact C-N 3.33Å; R124-E126 WeakPolarHBondContact CB-OE2 3.25Å
125	K	79.2	Confident	91.6	Very high	199 Å²	199	72.9 Å²	72.9	87%	0.865	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-17.6	-176	-69.2	-176	177.6	-179.1	0	112.8
126	E	80.6	Confident	91.6	Very high	164 Å²	164	72.8 Å²	72.8	77%	0.766	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.2	-171.2	-48.7	74.5	-163.2	0	0	112.7	R124	R124-E126 VanDerWaalsContact C-N 3.33Å; R124-E126 WeakPolarHBondContact CB-OE2 3.25Å
127	A	83.9	Confident	91.4	Very high	65 Å²	65	72.9 Å²	72.9	54%	0.537	35%	0.353	S	S	.	.	S	Bend	trans	-143.3	136.2	-173	0	0	0	0	0	112.1	L129	A127-L129 PolarHBondContact O-N 3.23Å
128	L	88.6	Confident	90.8	Very high	107 Å²	107	75.2 Å²	75.2	56%	0.56	37%	0.366	S	S	*	.			trans	-65.5	118.8	171.4	-177.8	68.2	0	0	0	109.9	F620 E626	L128-F620 HydrophobicContact CD1-CE1 3.92Å; L128-F620 HydrophobicContact CD1-CE2 4.45Å; L128-F620 HydrophobicContact CD1-CZ 3.5Å; L128-F620 VanDerWaalsContact CD1-CZ 3.5Å; L128-E626 HydrophobicContact CD2-CG 4.24Å
129	L	94	Very high	89.9	Confident	60 Å²	60	82.7 Å²	82.7	31%	0.314	40%	0.4	S	S	.	.			trans	-89.6	110.5	169.4	175.8	60.8	0	0	0	109.6	P120 V123 A127 L131 A622 S623	P120-L129 HydrophobicContact CG-CD2 3.61Å; V123-L129 HydrophobicContact CG1-CD2 3.73Å; A127-L129 PolarHBondContact O-N 3.23Å; L129-L131 HydrophobicContact CD2-CD2 4.17Å; L129-L131 HydrophobicContact CG-CD2 4.32Å; L129-A622 HydrophobicContact CB-CB 4.24Å; L129-A622 HydrophobicContact CD2-CB 3.95Å; L129-A622 HydrophobicContact CG-CB 4.02Å; L129-A622 CarbonylContact O-C 3.51Å; L129-A622 WeakPolarHBondContact O-CA 3.29Å; L129-S623 PolarHBondContact O-N 3.01Å
130	L	94.4	Very high	89.1	Confident	95 Å²	95	84.8 Å²	84.8	50%	0.497	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-88.6	126.8	164.7	-173.7	66.6	0	0	0	109.5
131	L	94.9	Very high	88.4	Confident	9 Å²	9	88.9 Å²	88.9	5%	0.047	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-79	131.1	177.2	-63.5	176.8	0	0	0	110.3	I119 L129 V603 A622 S623 M624	I119-L131 HydrophobicContact CD1-CD1 3.5Å; I119-L131 VanDerWaalsContact CD1-CD1 3.5Å; I119-L131 HydrophobicContact CD1-CD2 4.49Å; L129-L131 HydrophobicContact CD2-CD2 4.17Å; L129-L131 HydrophobicContact CG-CD2 4.32Å; L131-V603 HydrophobicContact CD1-CG2 3.91Å; L131-A622 HydrophobicContact CD1-CB 3.88Å; L131-A622 HydrophobicContact CD2-CB 3.81Å; L131-A622 HydrophobicContact CG-CB 3.66Å; L131-S623 WeakPolarHBondContact CB-O 3.26Å; L131-S623 WeakPolarHBondContact CG-O 3.28Å; L131-S623 PolarHBondContact N-O 2.86Å; L131-M624 HydrophobicContact CD1-CG 3.87Å
132	S	92.5	Very high	87.7	Confident	76 Å²	76	85.3 Å²	85.3	53%	0.531	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-71.4	131.9	173.5	38.8	0	0	0	0	110.9	S117 K134	S117-S132 PolarHBondContact OG-O 3.12Å; S132-K134 PolarHBondContact O-N 3.25Å
133	W	93.3	Very high	87.2	Confident	46 Å²	46	77.1 Å²	77.1	17%	0.174	38%	0.377	C	S	.	.			trans	-83	105.5	171.5	-60.4	12.5	0	0	0	108	P81 Y102 M105 Y107 L115 M624 M625	P81-W133 HydrophobicContact CG-CH2 3.77Å; P81-W133 HydrophobicContact CG-CZ2 3.45Å; P81-W133 VanDerWaalsContact CG-CZ2 3.45Å; P81-W133 HydrophobicContact CG-CZ3 4.47Å; Y102-W133 HydrophobicContact CE2-CD2 4.34Å; Y102-W133 HydrophobicContact CE2-CG 4.31Å; Y102-W133 WeakPolarHBondContact OH-CA 3.31Å; Y102-W133 WeakPolarHBondContact OH-CB 3.42Å; Y102-W133 VanDerWaalsContact OH-CG 3.26Å; M105-W133 WeakPolarHBondContact O-CZ3 3.35Å; Y107-W133 HydrophobicContact CE2-CD2 4.46Å; Y107-W133 HydrophobicContact CE2-CE3 4.39Å; L115-W133 HydrophobicContact CD1-CB 4.44Å; L115-W133 HydrophobicContact CD1-CD2 4.41Å; L115-W133 HydrophobicContact CD1-CE3 3.81Å; W133-M624 PolarHBondContact NE1-O 3.23Å; W133-M625 HydrophobicContact CZ2-CB 4.25Å; W133-M625 HydrophobicContact CZ2-CG 4.32Å
134	K	93.8	Very high	86.6	Confident	72 Å²	72	75.7 Å²	75.7	31%	0.313	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.5	178.6	-63.1	175.9	175.3	-176	0	108.7	L115 Y116 S132	L115-K134 CarbonylContact C-O 3.57Å; L115-K134 WeakPolarHBondContact CA-O 3.39Å; Y116-K134 HydrophobicContact CD1-CB 3.92Å; Y116-K134 HydrophobicContact CD2-CB 4.18Å; Y116-K134 HydrophobicContact CD2-CD 4.09Å; Y116-K134 HydrophobicContact CE1-CB 3.62Å; Y116-K134 HydrophobicContact CE1-CD 4.46Å; Y116-K134 HydrophobicContact CE2-CB 3.91Å; Y116-K134 HydrophobicContact CE2-CD 3.37Å; Y116-K134 HydrophobicContact CE2-CG 4.27Å; Y116-K134 HydrophobicContact CG-CB 4.2Å; Y116-K134 PolarHBondContact N-O 3.1Å; Y116-K134 WeakPolarHBondContact O-CB 3.46Å; Y116-K134 PolarHBondContact O-N 3.26Å; S132-K134 PolarHBondContact O-N 3.25Å
135	Q	92.6	Very high	85.8	Confident	86 Å²	86	72.7 Å²	72.7	40%	0.402	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.8	172.3	-72.1	-179.5	-10.5	0	0	110	P106 L115 P202	P106-Q135 HydrophobicContact CG-CG 4.44Å; L115-Q135 HydrophobicContact CD2-CG 4.01Å; Q135-P202 HydrophobicContact CB-CG 4.34Å
136	M	94.3	Very high	85	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-85	-34.8	171.9	-164.3	-175.1	-172.1	0	0	111.2	Y101 L114 Y116 F179 D192 M199 P202 M203	Y101-M136 HydrophobicContact CD1-CE 4.48Å; Y101-M136 HydrophobicContact CD1-SD 4.47Å; Y101-M136 HydrophobicContact CE1-CE 4.14Å; L114-M136 HydrophobicContact CB-CB 3.98Å; L114-M136 HydrophobicContact CB-SD 3.88Å; L114-M136 HydrophobicContact CD1-SD 4.15Å; L114-M136 HydrophobicContact CG-SD 4.49Å; L114-M136 WeakPolarHBondContact O-CB 3.14Å; L114-M136 PolarHBondContact O-N 3.19Å; Y116-M136 HydrophobicContact CD1-CB 4.34Å; M136-F179 HydrophobicContact CE-CD1 4.47Å; M136-F179 HydrophobicContact CE-CD2 3.68Å; M136-F179 HydrophobicContact CE-CE1 4.34Å; M136-F179 HydrophobicContact CE-CE2 3.53Å; M136-F179 HydrophobicContact CE-CG 4.18Å; M136-F179 HydrophobicContact CE-CZ 3.89Å; M136-D192 HydrophobicContact CE-CB 3.52Å; M136-M199 HydrophobicContact CE-CE 3.65Å; M136-M199 HydrophobicContact CG-CE 3.44Å; M136-M199 VanDerWaalsContact CG-CE 3.44Å; M136-M199 HydrophobicContact CG-SD 4.01Å; M136-M199 HydrophobicContact SD-CE 4.44Å; M136-P202 WeakPolarHBondContact O-CA 3.2Å; M136-M203 PolarHBondContact O-N 3.49Å
137	L	92.1	Very high	84.1	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-105.2	132.2	-173.4	-52.6	-177.2	0	0	0	112	L114 F140 I167 F181 M203 P205	L114-L137 HydrophobicContact CB-CD1 4.39Å; L114-L137 HydrophobicContact CB-CG 4.31Å; L114-L137 HydrophobicContact CD1-CD1 4.49Å; L137-F140 HydrophobicContact CB-CB 4.07Å; L137-F140 HydrophobicContact CD1-CD1 3.8Å; L137-F140 HydrophobicContact CD1-CE1 4.38Å; L137-F140 HydrophobicContact CD1-CG 4.49Å; L137-I167 HydrophobicContact CD1-CD1 3.65Å; L137-F181 HydrophobicContact CD1-CE2 4.03Å; L137-F181 HydrophobicContact CD1-CZ 3.76Å; L137-F181 HydrophobicContact CD2-CZ 4.18Å; L137-M203 CarbonylContact C-O 3.59Å; L137-M203 VanDerWaalsContact CA-O 3.3Å; L137-M203 WeakPolarHBondContact CA-O 3.33Å; L137-P205 HydrophobicContact CD2-CB 4.16Å; L137-P205 HydrophobicContact CD2-CG 4.33Å
138	D	85.9	Confident	83.7	Confident	48 Å²	48	68.4 Å²	68.4	26%	0.257	34%	0.342	S	S	.	.	S	Bend	trans	-84.3	109.8	-178.8	177.2	41	0	0	0	112.6	F140 P202 M203 K204	D138-F140 PolarHBondContact O-N 2.91Å; D138-P202 HydrophobicContact CB-CB 4.07Å; D138-M203 PolarHBondContact N-O 3.21Å; D138-K204 HydrophobicContact CB-CG 3.94Å; D138-K204 WeakPolarHBondContact OD2-CE 3.47Å; D138-K204 IonicContact OD2-NZ 2.7Å
139	H	75.9	Confident	83.5	Confident	174 Å²	174	64.5 Å²	64.5	81%	0.806	32%	0.32	S	S	*	.	S	Bend	trans	46.6	35.3	173.6	-65.7	83.5	0	0	0	114.8
140	F	79.5	Confident	83.2	Confident	43 Å²	43	62.5 Å²	62.5	19%	0.189	31%	0.311	C	S	.	.			trans	-88.1	112.9	-174.1	-179	-112.6	0	0	0	111.2	L137 D138 A142 F181 A183 F188 P205	L137-F140 HydrophobicContact CB-CB 4.07Å; L137-F140 HydrophobicContact CD1-CD1 3.8Å; L137-F140 HydrophobicContact CD1-CE1 4.38Å; L137-F140 HydrophobicContact CD1-CG 4.49Å; D138-F140 PolarHBondContact O-N 2.91Å; F140-A142 HydrophobicContact CD1-CB 4.16Å; F140-A142 HydrophobicContact CE1-CB 3.99Å; F140-A142 PolarHBondContact O-N 3.08Å; F140-F181 HydrophobicContact CE1-CE2 4.13Å; F140-A183 HydrophobicContact CE1-CB 3.49Å; F140-A183 VanDerWaalsContact CE1-CB 3.49Å; F140-A183 HydrophobicContact CZ-CB 3.58Å; F140-F188 AromaticContact CE2-CD1 3.95Å; F140-F188 HydrophobicContact CE2-CD1 3.95Å; F140-F188 HydrophobicContact CE2-CD2 4.49Å; F140-F188 AromaticContact CE2-CE1 3.61Å; F140-F188 HydrophobicContact CE2-CE1 3.61Å; F140-F188 HydrophobicContact CE2-CE2 4.2Å; F140-F188 HydrophobicContact CE2-CG 4.38Å; F140-F188 AromaticContact CE2-CZ 3.75Å; F140-F188 HydrophobicContact CE2-CZ 3.75Å; F140-F188 AromaticContact CZ-CD1 3.96Å; F140-F188 HydrophobicContact CZ-CD1 3.96Å; F140-F188 AromaticContact CZ-CD2 3.84Å; F140-F188 HydrophobicContact CZ-CD2 3.84Å; F140-F188 AromaticContact CZ-CE1 3.92Å; F140-F188 HydrophobicContact CZ-CE1 3.92Å; F140-F188 AromaticContact CZ-CE2 3.81Å; F140-F188 HydrophobicContact CZ-CE2 3.81Å; F140-F188 AromaticContact CZ-CG 3.92Å; F140-F188 HydrophobicContact CZ-CG 3.92Å; F140-F188 AromaticContact CZ-CZ 3.86Å; F140-F188 HydrophobicContact CZ-CZ 3.86Å; F140-P205 HydrophobicContact CB-CG 4.4Å; F140-P205 HydrophobicContact CD1-CG 4.18Å; F140-P205 HydrophobicContact CD2-CG 3.52Å; F140-P205 HydrophobicContact CE1-CG 4.31Å; F140-P205 HydrophobicContact CE2-CG 3.7Å; F140-P205 HydrophobicContact CG-CG 3.78Å; F140-P205 HydrophobicContact CZ-CG 4.09Å
141	Q	80.9	Confident	82.9	Confident	107 Å²	107	61 Å²	61	50%	0.5	30%	0.298	S	S	.	.			trans	-76.6	109.5	171.3	-176.4	-171.2	-36.4	0	0	109	T143	Q141-T143 PolarHBondContact NE2-O 2.83Å
142	A	79.4	Confident	82.6	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.008	31%	0.312	C	S	.	.			trans	-91.4	-14.9	-176.3	0	0	0	0	0	113.4	E111 F140 I167 A183 S184	E111-A142 PolarHBondContact OE2-N 3.14Å; F140-A142 HydrophobicContact CD1-CB 4.16Å; F140-A142 HydrophobicContact CE1-CB 3.99Å; F140-A142 PolarHBondContact O-N 3.08Å; A142-I167 HydrophobicContact CB-CG1 4.01Å; A142-A183 HydrophobicContact CB-CB 4.23Å; A142-S184 PolarHBondContact O-N 2.99Å
143	T	80.1	Confident	82.5	Confident	14 Å²	14	60.8 Å²	60.8	9%	0.086	29%	0.289	C	S	.	.	S	Bend	trans	-94.5	139.4	177.4	-44.2	0	0	0	0	111.5	E111 Q141 F165 G166	E111-T143 VanDerWaalsContact CD-OG1 3.24Å; E111-T143 WeakPolarHBondContact OE1-CB 3.24Å; E111-T143 PolarHBondContact OE1-N 2.88Å; E111-T143 PolarHBondContact OE1-OG1 3.16Å; Q141-T143 PolarHBondContact NE2-O 2.83Å; T143-F165 HydrophobicContact CG2-CB 4.14Å; T143-F165 HydrophobicContact CG2-CD1 3.94Å; T143-F165 HydrophobicContact CG2-CG 4.4Å; T143-G166 PolarHBondContact OG1-N 2.86Å
144	P	77.2	Confident	82.4	Confident	15 Å²	15	61.4 Å²	61.4	10%	0.097	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-55	157.5	169.1	-23.4	33.1	0	0	0	113	H146 G147 M148 Y149	P144-H146 PolarHBondContact O-N 3.1Å; P144-G147 PolarHBondContact O-N 3Å; P144-M148 WeakPolarHBondContact CB-O 3.43Å; P144-M148 WeakPolarHBondContact CG-O 3.35Å; P144-Y149 HydrophobicContact CG-CD1 3.75Å; P144-Y149 HydrophobicContact CG-CE1 3.94Å; P144-Y149 HydrophobicContact CG-CG 4.29Å
145	H	68.5	Low	82.3	Confident	141 Å²	141	59.6 Å²	59.6	65%	0.653	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-56.4	130.3	171.6	-75.2	-64.3	0	0	0	110.8	G147 M148	H145-G147 PolarHBondContact O-N 3.06Å; H145-G147 VanDerWaalsContact O-N 3.1Å; H145-M148 PolarHBondContact O-N 3.15Å
146	H	61.9	Low	82.3	Confident	186 Å²	186	57 Å²	57	86%	0.861	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	56	14.2	-172.5	-53.8	102	0	0	0	115.6	P144 M148	P144-H146 PolarHBondContact O-N 3.1Å; H146-M148 VanDerWaalsContact C-N 3.28Å; H146-M148 HydrophobicContact CB-CG 4.39Å; H146-M148 PolarHBondContact O-N 3.01Å
147	G	62.1	Low	82.2	Confident	20 Å²	20	57.5 Å²	57.5	21%	0.206	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	71.8	17.3	-177.5	0	0	0	0	0	114.5	P144 H145 Y149	P144-G147 PolarHBondContact O-N 3Å; H145-G147 PolarHBondContact O-N 3.06Å; H145-G147 VanDerWaalsContact O-N 3.1Å; G147-Y149 WeakPolarHBondContact O-CD2 3.2Å; G147-Y149 PolarHBondContact O-N 3.07Å
148	M	74.9	Confident	82.3	Confident	132 Å²	132	57.7 Å²	57.7	65%	0.65	28%	0.278	S	S	*	.			trans	-73.3	92.8	176.3	-58.3	-166.5	-46.2	0	0	110.7	P144 H145 H146	P144-M148 WeakPolarHBondContact CB-O 3.43Å; P144-M148 WeakPolarHBondContact CG-O 3.35Å; H145-M148 PolarHBondContact O-N 3.15Å; H146-M148 VanDerWaalsContact C-N 3.28Å; H146-M148 HydrophobicContact CB-CG 4.39Å; H146-M148 PolarHBondContact O-N 3.01Å
149	Y	84.8	Confident	82.7	Confident	25 Å²	25	55.9 Å²	55.9	10%	0.098	27%	0.268	C	S	.	.			trans	-78.3	165.9	174.7	-71.2	-75.2	0	0	0	111.9	P144 G147 E153 R157 F165	P144-Y149 HydrophobicContact CG-CD1 3.75Å; P144-Y149 HydrophobicContact CG-CE1 3.94Å; P144-Y149 HydrophobicContact CG-CG 4.29Å; G147-Y149 WeakPolarHBondContact O-CD2 3.2Å; G147-Y149 PolarHBondContact O-N 3.07Å; Y149-E153 HydrophobicContact CD1-CG 3.88Å; Y149-E153 VanDerWaalsContact CD1-OE1 3.3Å; Y149-E153 WeakPolarHBondContact CD1-OE1 3.49Å; Y149-E153 WeakPolarHBondContact CD1-OE2 3.16Å; Y149-E153 HydrophobicContact CE1-CG 4.47Å; Y149-E153 WeakPolarHBondContact CE1-OE1 3.2Å; Y149-E153 HydrophobicContact CG-CG 4.3Å; Y149-R157 PolarHBondContact OH-NH1 2.84Å; Y149-F165 AromaticContact CE2-CD1 3.96Å; Y149-F165 HydrophobicContact CE2-CD1 3.96Å; Y149-F165 HydrophobicContact CE2-CE1 4.23Å
150	S	87.8	Confident	83.5	Confident	17 Å²	17	50.6 Å²	50.6	12%	0.119	24%	0.243	C	C	.	.			trans	-64.8	153	164.9	73.2	0	0	0	0	110.6	E152 E153 E154 N185	S150-E152 PolarHBondContact O-N 2.98Å; S150-E153 PolarHBondContact O-N 3.4Å; S150-E153 WeakPolarHBondContact OG-CB 2.98Å; S150-E153 PolarHBondContact OG-N 2.87Å; S150-E154 PolarHBondContact O-N 3.21Å; S150-N185 PolarHBondContact N-OD1 2.73Å
151	R	87.7	Confident	84.1	Confident	64 Å²	64	54.7 Å²	54.7	24%	0.242	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-37.1	-178.1	-163.6	68.7	177.3	101.9	12.4	112.4	E154 L155 D329 Y331	R151-E154 WeakPolarHBondContact CD-OE2 3.21Å; R151-E154 IonicContact CZ-OE2 2.64Å; R151-E154 IonicContact NE-OE2 3.36Å; R151-E154 IonicContact NH1-OE2 3.59Å; R151-E154 PolarHBondContact NH1-OE2 2.91Å; R151-L155 HydrophobicContact CG-CD1 4.33Å; R151-L155 VanDerWaalsContact O-CG 3.3Å; R151-L155 WeakPolarHBondContact O-CG 3.37Å; R151-L155 PolarHBondContact O-N 2.95Å; R151-L155 VanDerWaalsContact O-N 3.16Å; R151-D329 IonicContact CZ-OD2 3.71Å; R151-D329 IonicContact NE-OD2 3.93Å; R151-D329 PolarHBondContact NE-OD2 2.85Å; R151-D329 IonicContact NH2-OD2 2.73Å; R151-D329 PolarHBondContact NH2-OD2 2.94Å; R151-Y331 PolarHBondContact NH2-OH 3.03Å
152	E	88.8	Confident	84.4	Confident	70 Å²	70	51.2 Å²	51.2	33%	0.327	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-41.3	174.6	-67.1	147	-108.8	0	0	111.7	S150 L156 P215 M217	S150-E152 PolarHBondContact O-N 2.98Å; E152-L156 VanDerWaalsContact O-CB 3.28Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.88Å; E152-P215 VanDerWaalsContact OE1-CG 3.28Å; E152-P215 WeakPolarHBondContact OE1-CG 3.41Å; E152-P215 WeakPolarHBondContact OE2-CG 3.44Å; E152-M217 HydrophobicContact CB-CE 4.3Å; E152-M217 HydrophobicContact CB-CG 4.15Å; E152-M217 HydrophobicContact CB-SD 4.3Å
153	E	90.5	Very high	84.6	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-71.8	-39.7	176.4	-178.6	170.1	177.2	0	0	112.5	Y149 S150 L155 L156 R157 Q182 M217	Y149-E153 HydrophobicContact CD1-CG 3.88Å; Y149-E153 VanDerWaalsContact CD1-OE1 3.3Å; Y149-E153 WeakPolarHBondContact CD1-OE1 3.49Å; Y149-E153 WeakPolarHBondContact CD1-OE2 3.16Å; Y149-E153 HydrophobicContact CE1-CG 4.47Å; Y149-E153 WeakPolarHBondContact CE1-OE1 3.2Å; Y149-E153 HydrophobicContact CG-CG 4.3Å; S150-E153 PolarHBondContact O-N 3.4Å; S150-E153 WeakPolarHBondContact OG-CB 2.98Å; S150-E153 PolarHBondContact OG-N 2.87Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.4Å; E153-L156 PolarHBondContact O-N 2.86Å; E153-R157 HydrophobicContact CG-CG 4.11Å; E153-R157 VanDerWaalsContact O-CB 3.31Å; E153-R157 WeakPolarHBondContact O-CB 3.37Å; E153-R157 WeakPolarHBondContact O-CD 3.42Å; E153-R157 WeakPolarHBondContact O-CG 3.45Å; E153-R157 PolarHBondContact O-N 3.38Å; E153-Q182 PolarHBondContact OE2-NE2 3.4Å; E153-M217 HydrophobicContact CB-CE 3.86Å; E153-M217 HydrophobicContact CB-SD 4.32Å
154	E	90.8	Very high	84.8	Confident	59 Å²	59	55 Å²	55	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-53.2	-49.9	172.3	-71.9	-171.4	157.4	0	0	111.3	S150 R151 R157 E158	S150-E154 PolarHBondContact O-N 3.21Å; R151-E154 WeakPolarHBondContact CD-OE2 3.21Å; R151-E154 IonicContact CZ-OE2 2.64Å; R151-E154 IonicContact NE-OE2 3.36Å; R151-E154 IonicContact NH1-OE2 3.59Å; R151-E154 PolarHBondContact NH1-OE2 2.91Å; E154-R157 WeakPolarHBondContact O-CB 3.38Å; E154-R157 PolarHBondContact O-N 3.2Å; E154-E158 PolarHBondContact O-N 3.06Å
155	L	92.6	Very high	85.3	Confident	34 Å²	34	58.9 Å²	58.9	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-41.4	-176.6	-65.3	171.3	0	0	0	111.5	R151 E153 R157 E158 R159 Y331 E838	R151-L155 HydrophobicContact CG-CD1 4.33Å; R151-L155 VanDerWaalsContact O-CG 3.3Å; R151-L155 WeakPolarHBondContact O-CG 3.37Å; R151-L155 PolarHBondContact O-N 2.95Å; R151-L155 VanDerWaalsContact O-N 3.16Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.4Å; L155-R157 PolarHBondContact O-N 2.7Å; L155-E158 WeakPolarHBondContact O-CB 3.2Å; L155-E158 PolarHBondContact O-N 2.81Å; L155-R159 WeakPolarHBondContact O-CG 3.28Å; L155-R159 PolarHBondContact O-N 3.26Å; L155-Y331 HydrophobicContact CD1-CE1 3.92Å; L155-Y331 HydrophobicContact CD2-CE1 4.17Å; L155-Y331 WeakPolarHBondContact CD2-OH 3.38Å; L155-E838 HydrophobicContact CD2-CG 3.99Å
156	L	93	Very high	86.3	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-33.5	172.3	-173.2	62.7	0	0	0	112.1	E152 E153 K160 M217 F281	E152-L156 VanDerWaalsContact O-CB 3.28Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.88Å; E153-L156 PolarHBondContact O-N 2.86Å; L156-K160 HydrophobicContact CD1-CD 4.18Å; L156-K160 HydrophobicContact CD1-CG 4.28Å; L156-K160 HydrophobicContact CG-CD 4.19Å; L156-K160 VanDerWaalsContact O-CB 3.32Å; L156-K160 WeakPolarHBondContact O-CB 3.45Å; L156-K160 WeakPolarHBondContact O-CG 3.49Å; L156-K160 PolarHBondContact O-N 2.93Å; L156-M217 HydrophobicContact CB-CE 4.4Å; L156-M217 HydrophobicContact CD2-CE 3.63Å; L156-F281 HydrophobicContact CD1-CB 4.15Å; L156-F281 HydrophobicContact CD1-CD1 4.35Å
157	R	92.8	Very high	87.7	Confident	10 Å²	10	43.5 Å²	43.5	4%	0.038	22%	0.221	C	C	.	.	H	α-helix	trans	-76.1	-22.3	175.2	-69.5	165.6	64	81.5	12.5	113.4	Y149 E153 E154 L155 R161 L162 V164 R872	Y149-R157 PolarHBondContact OH-NH1 2.84Å; E153-R157 HydrophobicContact CG-CG 4.11Å; E153-R157 VanDerWaalsContact O-CB 3.31Å; E153-R157 WeakPolarHBondContact O-CB 3.37Å; E153-R157 WeakPolarHBondContact O-CD 3.42Å; E153-R157 WeakPolarHBondContact O-CG 3.45Å; E153-R157 PolarHBondContact O-N 3.38Å; E154-R157 WeakPolarHBondContact O-CB 3.38Å; E154-R157 PolarHBondContact O-N 3.2Å; L155-R157 PolarHBondContact O-N 2.7Å; R157-R161 PolarHBondContact O-N 2.93Å; R157-L162 HydrophobicContact CB-CB 4.28Å; R157-L162 HydrophobicContact CG-CB 4.33Å; R157-L162 HydrophobicContact CG-CD1 4.42Å; R157-L162 PolarHBondContact NH2-O 2.89Å; R157-L162 PolarHBondContact O-N 2.71Å; R157-V164 PolarHBondContact NH1-O 3.37Å; R157-V164 VanDerWaalsContact NH1-O 3.12Å; R157-V164 PolarHBondContact NH2-O 2.88Å; R157-R872 PolarHBondContact O-NH2 2.91Å
158	E	92.7	Very high	89.1	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-72.4	-54.5	163.8	-67.2	-59.4	160.8	0	0	110.9	E154 L155 K160 R161 R868 S870 R872	E154-E158 PolarHBondContact O-N 3.06Å; L155-E158 WeakPolarHBondContact O-CB 3.2Å; L155-E158 PolarHBondContact O-N 2.81Å; E158-K160 PolarHBondContact O-N 2.81Å; E158-R161 WeakPolarHBondContact O-CA 3.29Å; E158-R161 WeakPolarHBondContact O-CD 3.28Å; E158-R161 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-NH1 3.45Å; E158-R868 WeakPolarHBondContact OE1-CD 3.19Å; E158-S870 PolarHBondContact OE1-OG 2.78Å; E158-S870 PolarHBondContact OE2-OG 2.84Å; E158-R872 IonicContact OE1-CZ 2.8Å; E158-R872 IonicContact OE1-NE 2.79Å; E158-R872 PolarHBondContact OE1-NE 3.21Å; E158-R872 IonicContact OE1-NH2 3.67Å; E158-R872 PolarHBondContact OE1-NH2 3.26Å; E158-R872 IonicContact OE2-CZ 3.84Å; E158-R872 IonicContact OE2-NE 2.7Å; E158-R872 IonicContact OE2-NH2 3.18Å; E158-R872 PolarHBondContact OE2-NH2 3.22Å
159	R	94.8	Very high	90.1	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-55.2	-52	-178.5	-53.9	-68.1	70.5	77.4	-8.9	111.5	L155 R161 Q275 E276 F281 E838	L155-R159 WeakPolarHBondContact O-CG 3.28Å; L155-R159 PolarHBondContact O-N 3.26Å; R159-R161 PolarHBondContact O-N 3.16Å; R159-R161 VanDerWaalsContact O-N 3.11Å; R159-Q275 HydrophobicContact CB-CB 3.93Å; R159-Q275 HydrophobicContact CG-CB 3.74Å; R159-E276 WeakPolarHBondContact CD-OE2 3.41Å; R159-E276 IonicContact CZ-OE1 3.72Å; R159-E276 IonicContact CZ-OE2 3.79Å; R159-E276 IonicContact NE-OE1 3.78Å; R159-E276 PolarHBondContact NE-OE1 3.29Å; R159-E276 IonicContact NE-OE2 3.61Å; R159-E276 PolarHBondContact NE-OE2 2.95Å; R159-E276 IonicContact NH2-OE1 2.71Å; R159-E276 PolarHBondContact NH2-OE1 2.85Å; R159-E276 IonicContact NH2-OE2 3.58Å; R159-F281 HydrophobicContact CB-CD1 4.15Å; R159-F281 HydrophobicContact CB-CE1 3.85Å; R159-E838 IonicContact CZ-OE1 3.65Å; R159-E838 IonicContact NH1-OE1 3.22Å; R159-E838 PolarHBondContact NH1-OE1 2.9Å; R159-E838 IonicContact NH2-OE1 2.78Å; R159-E838 PolarHBondContact NH2-OE1 3.13Å
160	K	92.9	Very high	90.7	Very high	63 Å²	63	40.7 Å²	40.7	27%	0.274	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	3	175.2	-66.1	-176.1	174.9	178.6	0	114.9	L156 E158 L162 F281	L156-K160 HydrophobicContact CD1-CD 4.18Å; L156-K160 HydrophobicContact CD1-CG 4.28Å; L156-K160 HydrophobicContact CG-CD 4.19Å; L156-K160 VanDerWaalsContact O-CB 3.32Å; L156-K160 WeakPolarHBondContact O-CB 3.45Å; L156-K160 WeakPolarHBondContact O-CG 3.49Å; L156-K160 PolarHBondContact O-N 2.93Å; E158-K160 PolarHBondContact O-N 2.81Å; K160-L162 HydrophobicContact CB-CD1 3.63Å; K160-L162 HydrophobicContact CB-CG 3.67Å; K160-L162 HydrophobicContact CD-CD1 3.88Å; K160-L162 HydrophobicContact CG-CD1 4.38Å; K160-L162 PolarHBondContact O-N 3.07Å; K160-L162 VanDerWaalsContact O-N 3.13Å; K160-F281 HydrophobicContact CB-CE1 4.37Å; K160-F281 HydrophobicContact CB-CZ 4.46Å; K160-F281 HydrophobicContact CD-CB 4.46Å; K160-F281 HydrophobicContact CD-CD1 4.41Å; K160-F281 HydrophobicContact CD-CD2 4.31Å; K160-F281 HydrophobicContact CD-CG 4.12Å; K160-F281 HydrophobicContact CG-CB 4.39Å; K160-F281 HydrophobicContact CG-CD1 3.48Å; K160-F281 VanDerWaalsContact CG-CD1 3.48Å; K160-F281 HydrophobicContact CG-CD2 3.82Å; K160-F281 HydrophobicContact CG-CE1 3.61Å; K160-F281 HydrophobicContact CG-CE2 3.94Å; K160-F281 HydrophobicContact CG-CG 3.6Å; K160-F281 HydrophobicContact CG-CZ 3.84Å
161	R	91.9	Very high	91.1	Very high	129 Å²	129	42.4 Å²	42.4	49%	0.487	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	34	-177.8	-54.3	-67.8	-175.8	-104.3	3.4	114	R157 E158 R159 G163 E276	R157-R161 PolarHBondContact O-N 2.93Å; E158-R161 WeakPolarHBondContact O-CA 3.29Å; E158-R161 WeakPolarHBondContact O-CD 3.28Å; E158-R161 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-NH1 3.45Å; R159-R161 PolarHBondContact O-N 3.16Å; R159-R161 VanDerWaalsContact O-N 3.11Å; R161-G163 PolarHBondContact O-N 3.27Å; R161-E276 IonicContact CZ-OE1 3.66Å; R161-E276 IonicContact CZ-OE2 3.76Å; R161-E276 VanDerWaalsContact NH1-CD 3.27Å; R161-E276 IonicContact NH1-OE1 3.18Å; R161-E276 PolarHBondContact NH1-OE1 2.96Å; R161-E276 IonicContact NH1-OE2 2.79Å; R161-E276 PolarHBondContact NH1-OE2 2.68Å; R161-E276 IonicContact NH2-OE1 3.35Å; R161-E276 PolarHBondContact NH2-OE1 2.92Å; R161-E276 IonicContact NH2-OE2 3.79Å; R161-E276 PolarHBondContact NH2-OE2 2.92Å
162	L	88.3	Confident	91.6	Very high	33 Å²	33	40.1 Å²	40.1	17%	0.173	21%	0.208	C	C	.	.			trans	-82.7	96.3	-172.2	-71.2	169.1	0	0	0	112.1	R157 K160 T168 R872	R157-L162 HydrophobicContact CB-CB 4.28Å; R157-L162 HydrophobicContact CG-CB 4.33Å; R157-L162 HydrophobicContact CG-CD1 4.42Å; R157-L162 PolarHBondContact NH2-O 2.89Å; R157-L162 PolarHBondContact O-N 2.71Å; K160-L162 HydrophobicContact CB-CD1 3.63Å; K160-L162 HydrophobicContact CB-CG 3.67Å; K160-L162 HydrophobicContact CD-CD1 3.88Å; K160-L162 HydrophobicContact CG-CD1 4.38Å; K160-L162 PolarHBondContact O-N 3.07Å; K160-L162 VanDerWaalsContact O-N 3.13Å; L162-T168 HydrophobicContact CD1-CG2 4.06Å; L162-R872 PolarHBondContact O-NH1 3.38Å
163	G	83.1	Confident	92	Very high	55 Å²	55	38.2 Å²	38.2	57%	0.567	20%	0.199	S	C	*	.			trans	-76.6	-12.8	178.6	0	0	0	0	0	116.5	R161	R161-G163 PolarHBondContact O-N 3.27Å
164	V	84.6	Confident	92	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.236	21%	0.214	C	C	.	.			trans	-106.7	145.3	-167.2	-176	0	0	0	0	112.5	K79 M105 N112 R157	K79-V164 HydrophobicContact CB-CG2 4.32Å; K79-V164 HydrophobicContact CD-CB 4.4Å; K79-V164 HydrophobicContact CD-CG2 4.04Å; M105-V164 HydrophobicContact CE-CG1 4.26Å; M105-V164 HydrophobicContact CG-CG1 4.28Å; M105-V164 HydrophobicContact SD-CG1 3.57Å; M105-V164 VanDerWaalsContact SD-CG1 3.57Å; N112-V164 HydrophobicContact CB-CG1 3.99Å; R157-V164 PolarHBondContact NH1-O 3.37Å; R157-V164 VanDerWaalsContact NH1-O 3.12Å; R157-V164 PolarHBondContact NH2-O 2.88Å
165	F	86.1	Confident	92.1	Very high	97 Å²	97	42.8 Å²	42.8	43%	0.425	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	168.4	-178.9	-58.3	-82	0	0	0	112.5	N112 T143 Y149	N112-F165 VanDerWaalsContact CB-O 3.25Å; N112-F165 WeakPolarHBondContact CB-O 3.28Å; N112-F165 PolarHBondContact N-O 3.1Å; T143-F165 HydrophobicContact CG2-CB 4.14Å; T143-F165 HydrophobicContact CG2-CD1 3.94Å; T143-F165 HydrophobicContact CG2-CG 4.4Å; Y149-F165 AromaticContact CE2-CD1 3.96Å; Y149-F165 HydrophobicContact CE2-CD1 3.96Å; Y149-F165 HydrophobicContact CE2-CE1 4.23Å
166	G	89.7	Confident	92.2	Very high	4 Å²	4	42.1 Å²	42.1	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78	-155.8	-172.3	0	0	0	0	0	113.9	N112 T143 T168	N112-G166 CarbonylContact O-C 3.5Å; T143-G166 PolarHBondContact OG1-N 2.86Å; G166-T168 PolarHBondContact O-N 2.55Å
167	I	92.9	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.			trans	-67.6	122.3	-174.9	-56.7	172.4	0	0	0	109.6	L103 N112 L114 L137 A142 S169 F181 A183	L103-I167 HydrophobicContact CD1-CG2 4.34Å; L103-I167 HydrophobicContact CD2-CB 4.09Å; L103-I167 HydrophobicContact CD2-CG2 3.76Å; N112-I167 WeakPolarHBondContact CB-O 3.23Å; N112-I167 PolarHBondContact ND2-O 3.11Å; N112-I167 PolarHBondContact O-N 2.74Å; L114-I167 HydrophobicContact CD1-CD1 4.48Å; L114-I167 HydrophobicContact CG-CD1 4.34Å; L137-I167 HydrophobicContact CD1-CD1 3.65Å; A142-I167 HydrophobicContact CB-CG1 4.01Å; I167-S169 WeakPolarHBondContact CG2-O 3.43Å; I167-F181 HydrophobicContact CD1-CD2 3.6Å; I167-F181 HydrophobicContact CD1-CE2 3.57Å; I167-F181 HydrophobicContact CD1-CG 4.32Å; I167-F181 HydrophobicContact CD1-CZ 4.28Å; I167-F181 HydrophobicContact CG1-CD2 4.04Å; I167-F181 HydrophobicContact CG1-CE2 4.36Å; I167-F181 HydrophobicContact CG2-CB 4.11Å; I167-F181 HydrophobicContact CG2-CD2 4.39Å; I167-F181 HydrophobicContact CG2-CG 4.44Å; I167-A183 HydrophobicContact CG1-CB 4.34Å
168	T	91.3	Very high	92.5	Very high	28 Å²	28	40.3 Å²	40.3	17%	0.172	22%	0.216	C	C	.	.			trans	-100.4	-22.5	-175	51.4	0	0	0	0	114.6	L162 G166	L162-T168 HydrophobicContact CD1-CG2 4.06Å; G166-T168 PolarHBondContact O-N 2.55Å
169	S	94.3	Very high	92.8	Very high	57 Å²	57	39.9 Å²	39.9	40%	0.399	21%	0.214	S	C	.	.			trans	-160.7	160.6	175.1	53.5	0	0	0	0	109.6	I167	I167-S169 WeakPolarHBondContact CG2-O 3.43Å
170	Y	97.2	Very high	92.9	Very high	33 Å²	33	39.5 Å²	39.5	13%	0.129	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.8	172	69.5	-80.7	0	0	0	110.7	D83 Q85 L103 L114 F172 F179 L180	D83-Y170 HydrophobicContact CB-CD1 4.48Å; D83-Y170 HydrophobicContact CB-CE1 3.83Å; D83-Y170 VanDerWaalsContact O-CE1 3.32Å; D83-Y170 WeakPolarHBondContact O-CE1 3.36Å; D83-Y170 PolarHBondContact O-OH 3.31Å; Q85-Y170 WeakPolarHBondContact CB-OH 3.46Å; Q85-Y170 HydrophobicContact CG-CE2 4.16Å; Q85-Y170 WeakPolarHBondContact CG-OH 3.46Å; L103-Y170 HydrophobicContact CD1-CD1 4.09Å; L103-Y170 HydrophobicContact CD2-CD1 4.21Å; L103-Y170 HydrophobicContact CG-CD1 3.85Å; L103-Y170 HydrophobicContact CG-CE1 4.07Å; L114-Y170 HydrophobicContact CD2-CD1 3.72Å; L114-Y170 HydrophobicContact CD2-CD2 4.26Å; L114-Y170 HydrophobicContact CD2-CE1 3.97Å; L114-Y170 HydrophobicContact CD2-CE2 4.46Å; L114-Y170 HydrophobicContact CD2-CG 3.87Å; Y170-F172 HydrophobicContact CD2-CB 4.14Å; Y170-F172 HydrophobicContact CE2-CB 3.92Å; Y170-F179 AromaticContact CD2-CD1 3.57Å; Y170-F179 HydrophobicContact CD2-CD1 3.57Å; Y170-F179 HydrophobicContact CD2-CE1 4.01Å; Y170-F179 AromaticContact CE2-CD1 3.71Å; Y170-F179 HydrophobicContact CE2-CD1 3.71Å; Y170-F179 AromaticContact CE2-CE1 3.62Å; Y170-F179 HydrophobicContact CE2-CE1 3.62Å; Y170-L180 WeakPolarHBondContact CA-O 3.33Å
171	D	98.2	Very high	93.1	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.283	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	151.7	168.6	-169.5	15.6	0	0	0	110.3	F179 L180 I221	D171-F179 WeakPolarHBondContact O-CA 3.46Å; D171-L180 PolarHBondContact N-O 3.38Å; D171-L180 PolarHBondContact O-N 2.77Å; D171-I221 HydrophobicContact CB-CD1 4.29Å; D171-I221 HydrophobicContact CB-CG1 4.37Å; D171-I221 WeakPolarHBondContact OD2-CB 3.39Å; D171-I221 PolarHBondContact OD2-N 2.73Å
172	F	97.2	Very high	93.2	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	122.3	-170.8	175.4	-107.8	0	0	0	113.4	Q85 V87 Y170 S174 L178 F179	Q85-F172 HydrophobicContact CG-CD1 4.24Å; V87-F172 HydrophobicContact CG2-CE1 3.79Å; V87-F172 HydrophobicContact CG2-CZ 3.69Å; Y170-F172 HydrophobicContact CD2-CB 4.14Å; Y170-F172 HydrophobicContact CE2-CB 3.92Å; F172-S174 WeakPolarHBondContact CE1-OG 3.48Å; F172-L178 WeakPolarHBondContact CA-O 3.28Å; F172-L178 WeakPolarHBondContact CD2-O 3.31Å; F172-F179 AromaticContact CD2-CD1 3.91Å; F172-F179 HydrophobicContact CD2-CD1 3.91Å; F172-F179 AromaticContact CD2-CD2 3.72Å; F172-F179 HydrophobicContact CD2-CD2 3.72Å; F172-F179 AromaticContact CD2-CE1 3.66Å; F172-F179 HydrophobicContact CD2-CE1 3.66Å; F172-F179 AromaticContact CD2-CE2 3.46Å; F172-F179 HydrophobicContact CD2-CE2 3.46Å; F172-F179 VanDerWaalsContact CD2-CE2 3.46Å; F172-F179 AromaticContact CD2-CG 3.93Å; F172-F179 HydrophobicContact CD2-CG 3.93Å; F172-F179 AromaticContact CD2-CZ 3.42Å; F172-F179 HydrophobicContact CD2-CZ 3.42Å; F172-F179 VanDerWaalsContact CD2-CZ 3.42Å; F172-F179 AromaticContact CE2-CD2 3.95Å; F172-F179 HydrophobicContact CE2-CD2 3.95Å; F172-F179 HydrophobicContact CE2-CE1 4.2Å; F172-F179 AromaticContact CE2-CE2 3.33Å; F172-F179 HydrophobicContact CE2-CE2 3.33Å; F172-F179 AromaticContact CE2-CZ 3.47Å; F172-F179 HydrophobicContact CE2-CZ 3.47Å; F172-F179 VanDerWaalsContact CE2-CZ 3.47Å; F172-F179 HydrophobicContact CG-CE1 4.29Å; F172-F179 HydrophobicContact CG-CZ 4.35Å; F172-F179 HydrophobicContact CZ-CE2 4.5Å; F172-F179 HydrophobicContact CZ-CZ 4.43Å
173	H	96.8	Very high	93.2	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106.1	176	-178.8	-95.5	0	0	0	112.1	E175 S176 G177 L178 I221 P226	H173-E175 PolarHBondContact O-N 3.29Å; H173-S176 PolarHBondContact ND1-N 3.44Å; H173-S176 PolarHBondContact ND1-OG 2.82Å; H173-S176 PolarHBondContact O-N 3.13Å; H173-S176 PolarHBondContact O-OG 3.06Å; H173-G177 PolarHBondContact O-N 2.9Å; H173-L178 HydrophobicContact CB-CB 4.48Å; H173-L178 PolarHBondContact N-O 3.21Å; H173-L178 PolarHBondContact O-N 2.95Å; H173-I221 HydrophobicContact CB-CD1 4.15Å; H173-I221 HydrophobicContact CB-CG2 4.13Å; H173-P226 HydrophobicContact CB-CB 4.31Å
174	S	91.6	Very high	93.1	Very high	52 Å²	52	29.6 Å²	29.6	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.3	-168.7	-65.9	0	0	0	0	116.3	F172	F172-S174 WeakPolarHBondContact CE1-OG 3.48Å
175	E	91.8	Very high	93.1	Very high	114 Å²	114	31 Å²	31	53%	0.533	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-39.2	-174.9	-161.7	-159.4	162.5	0	0	112.6	H173 G194 K195	H173-E175 PolarHBondContact O-N 3.29Å; E175-G194 VanDerWaalsContact O-CA 3.31Å; E175-G194 WeakPolarHBondContact O-CA 3.45Å; E175-K195 PolarHBondContact O-N 3.39Å; E175-K195 VanDerWaalsContact O-N 3.17Å; E175-K195 WeakPolarHBondContact OE1-CE 3.32Å; E175-K195 IonicContact OE1-NZ 3.29Å; E175-K195 PolarHBondContact OE1-NZ 3.47Å
176	S	94.6	Very high	93.4	Very high	19 Å²	19	27 Å²	27	13%	0.133	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.2	177.5	61.3	0	0	0	0	112.5	H173 L178 N196	H173-S176 PolarHBondContact ND1-N 3.44Å; H173-S176 PolarHBondContact ND1-OG 2.82Å; H173-S176 PolarHBondContact O-N 3.13Å; H173-S176 PolarHBondContact O-OG 3.06Å; S176-L178 PolarHBondContact O-N 2.92Å; S176-L178 WeakPolarHBondContact OG-CB 3.17Å; S176-L178 PolarHBondContact OG-N 2.85Å; S176-N196 PolarHBondContact O-ND2 2.96Å
177	G	95.4	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	19.9	-171.8	0	0	0	0	0	112.9	H173 F179 R191 D192	H173-G177 PolarHBondContact O-N 2.9Å; G177-F179 WeakPolarHBondContact O-CD2 3.28Å; G177-R191 CarbonylContact O-C 3.6Å; G177-R191 VanDerWaalsContact O-CA 3.31Å; G177-R191 WeakPolarHBondContact O-CA 3.34Å; G177-D192 WeakPolarHBondContact CA-O 3.39Å; G177-D192 PolarHBondContact O-N 2.79Å
178	L	97.6	Very high	93.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.6	-179.3	176.6	69.9	0	0	0	110.4	F172 H173 S176 H189 R191 I221 P226 I242	F172-L178 WeakPolarHBondContact CA-O 3.28Å; F172-L178 WeakPolarHBondContact CD2-O 3.31Å; H173-L178 HydrophobicContact CB-CB 4.48Å; H173-L178 PolarHBondContact N-O 3.21Å; H173-L178 PolarHBondContact O-N 2.95Å; S176-L178 PolarHBondContact O-N 2.92Å; S176-L178 WeakPolarHBondContact OG-CB 3.17Å; S176-L178 PolarHBondContact OG-N 2.85Å; L178-H189 HydrophobicContact CD1-CB 4.12Å; L178-R191 HydrophobicContact CD1-CG 4.11Å; L178-I221 HydrophobicContact CB-CD1 4.46Å; L178-I221 HydrophobicContact CD2-CD1 3.93Å; L178-I221 HydrophobicContact CD2-CG1 4.15Å; L178-I221 HydrophobicContact CD2-CG2 4.01Å; L178-I221 HydrophobicContact CG-CD1 3.98Å; L178-P226 HydrophobicContact CD2-CB 4.2Å; L178-P226 VanDerWaalsContact CD2-O 3.28Å; L178-P226 WeakPolarHBondContact CD2-O 3.38Å; L178-I242 HydrophobicContact CD1-CD1 3.68Å; L178-I242 HydrophobicContact CD2-CD1 3.6Å; L178-I242 HydrophobicContact CG-CD1 4.32Å
179	F	98.1	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.3	168	-66.4	-107.2	0	0	0	109.3	Y101 L114 M136 Y170 D171 F172 G177 H189 C190 D192	Y101-F179 HydrophobicContact CD1-CE1 4.24Å; Y101-F179 AromaticContact CD1-CZ 3.67Å; Y101-F179 HydrophobicContact CD1-CZ 3.67Å; Y101-F179 HydrophobicContact CD2-CE1 4.44Å; Y101-F179 AromaticContact CD2-CZ 3.76Å; Y101-F179 HydrophobicContact CD2-CZ 3.76Å; Y101-F179 HydrophobicContact CE1-CE2 4.27Å; Y101-F179 AromaticContact CE1-CZ 3.77Å; Y101-F179 HydrophobicContact CE1-CZ 3.77Å; Y101-F179 HydrophobicContact CE2-CE2 4.46Å; Y101-F179 AromaticContact CE2-CZ 3.82Å; Y101-F179 HydrophobicContact CE2-CZ 3.82Å; Y101-F179 HydrophobicContact CG-CE1 4.08Å; Y101-F179 AromaticContact CG-CZ 3.65Å; Y101-F179 HydrophobicContact CG-CZ 3.65Å; Y101-F179 AromaticContact CZ-CZ 3.82Å; L114-F179 HydrophobicContact CD1-CD1 4.38Å; L114-F179 HydrophobicContact CD2-CD1 4.38Å; M136-F179 HydrophobicContact CE-CD1 4.47Å; M136-F179 HydrophobicContact CE-CD2 3.68Å; M136-F179 HydrophobicContact CE-CE1 4.34Å; M136-F179 HydrophobicContact CE-CE2 3.53Å; M136-F179 HydrophobicContact CE-CG 4.18Å; M136-F179 HydrophobicContact CE-CZ 3.89Å; Y170-F179 AromaticContact CD2-CD1 3.57Å; Y170-F179 HydrophobicContact CD2-CD1 3.57Å; Y170-F179 HydrophobicContact CD2-CE1 4.01Å; Y170-F179 AromaticContact CE2-CD1 3.71Å; Y170-F179 HydrophobicContact CE2-CD1 3.71Å; Y170-F179 AromaticContact CE2-CE1 3.62Å; Y170-F179 HydrophobicContact CE2-CE1 3.62Å; D171-F179 WeakPolarHBondContact O-CA 3.46Å; F172-F179 AromaticContact CD2-CD1 3.91Å; F172-F179 HydrophobicContact CD2-CD1 3.91Å; F172-F179 AromaticContact CD2-CD2 3.72Å; F172-F179 HydrophobicContact CD2-CD2 3.72Å; F172-F179 AromaticContact CD2-CE1 3.66Å; F172-F179 HydrophobicContact CD2-CE1 3.66Å; F172-F179 AromaticContact CD2-CE2 3.46Å; F172-F179 HydrophobicContact CD2-CE2 3.46Å; F172-F179 VanDerWaalsContact CD2-CE2 3.46Å; F172-F179 AromaticContact CD2-CG 3.93Å; F172-F179 HydrophobicContact CD2-CG 3.93Å; F172-F179 AromaticContact CD2-CZ 3.42Å; F172-F179 HydrophobicContact CD2-CZ 3.42Å; F172-F179 VanDerWaalsContact CD2-CZ 3.42Å; F172-F179 AromaticContact CE2-CD2 3.95Å; F172-F179 HydrophobicContact CE2-CD2 3.95Å; F172-F179 HydrophobicContact CE2-CE1 4.2Å; F172-F179 AromaticContact CE2-CE2 3.33Å; F172-F179 HydrophobicContact CE2-CE2 3.33Å; F172-F179 AromaticContact CE2-CZ 3.47Å; F172-F179 HydrophobicContact CE2-CZ 3.47Å; F172-F179 VanDerWaalsContact CE2-CZ 3.47Å; F172-F179 HydrophobicContact CG-CE1 4.29Å; F172-F179 HydrophobicContact CG-CZ 4.35Å; F172-F179 HydrophobicContact CZ-CE2 4.5Å; F172-F179 HydrophobicContact CZ-CZ 4.43Å; G177-F179 WeakPolarHBondContact O-CD2 3.28Å; F179-H189 WeakPolarHBondContact O-CA 3.42Å; F179-H189 VanDerWaalsContact O-CB 3.27Å; F179-H189 WeakPolarHBondContact O-CB 3.47Å; F179-C190 PolarHBondContact N-O 2.83Å; F179-C190 PolarHBondContact O-N 2.83Å; F179-C190 VanDerWaalsContact O-N 3.14Å; F179-D192 HydrophobicContact CE2-CB 4.27Å
180	L	98.3	Very high	94.2	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.1	175.1	177.6	66.9	0	0	0	109.2	Y170 D171 I208 P219 I221 F229	Y170-L180 WeakPolarHBondContact CA-O 3.33Å; D171-L180 PolarHBondContact N-O 3.38Å; D171-L180 PolarHBondContact O-N 2.77Å; L180-I208 HydrophobicContact CD1-CD1 3.51Å; L180-P219 HydrophobicContact CD2-CB 4.06Å; L180-P219 HydrophobicContact CG-CB 4.23Å; L180-I221 HydrophobicContact CB-CD1 3.89Å; L180-I221 HydrophobicContact CB-CG1 3.67Å; L180-I221 HydrophobicContact CD2-CG1 3.77Å; L180-I221 HydrophobicContact CG-CG1 4.39Å; L180-F229 HydrophobicContact CD1-CD2 4.38Å; L180-F229 HydrophobicContact CD2-CB 3.75Å; L180-F229 HydrophobicContact CD2-CD2 3.95Å; L180-F229 HydrophobicContact CD2-CG 4.13Å
181	F	96.7	Very high	94.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.2	-179.1	52.8	-88.1	0	0	0	113.2	L114 L137 F140 I167 A183 F188 P205	L114-F181 HydrophobicContact CD1-CD1 3.65Å; L114-F181 HydrophobicContact CD1-CE1 3.48Å; L114-F181 VanDerWaalsContact CD1-CE1 3.48Å; L114-F181 HydrophobicContact CD1-CG 4.37Å; L114-F181 HydrophobicContact CD1-CZ 4.07Å; L137-F181 HydrophobicContact CD1-CE2 4.03Å; L137-F181 HydrophobicContact CD1-CZ 3.76Å; L137-F181 HydrophobicContact CD2-CZ 4.18Å; F140-F181 HydrophobicContact CE1-CE2 4.13Å; I167-F181 HydrophobicContact CD1-CD2 3.6Å; I167-F181 HydrophobicContact CD1-CE2 3.57Å; I167-F181 HydrophobicContact CD1-CG 4.32Å; I167-F181 HydrophobicContact CD1-CZ 4.28Å; I167-F181 HydrophobicContact CG1-CD2 4.04Å; I167-F181 HydrophobicContact CG1-CE2 4.36Å; I167-F181 HydrophobicContact CG2-CB 4.11Å; I167-F181 HydrophobicContact CG2-CD2 4.39Å; I167-F181 HydrophobicContact CG2-CG 4.44Å; F181-A183 HydrophobicContact CD2-CB 4.28Å; F181-A183 HydrophobicContact CE2-CB 4.44Å; F181-F188 HydrophobicContact CD2-CB 4.02Å; F181-F188 HydrophobicContact CE2-CB 3.58Å; F181-F188 HydrophobicContact CE2-CG 4.43Å; F181-F188 HydrophobicContact CZ-CB 3.91Å; F181-F188 PolarHBondContact N-O 2.91Å; F181-F188 PolarHBondContact O-N 3.26Å; F181-P205 HydrophobicContact CZ-CB 3.89Å
182	Q	93.2	Very high	94	Very high	28 Å²	28	24.5 Å²	24.5	13%	0.131	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137	169.5	-180	168	-18.1	0	0	109.9	E153 L187 M217 P219	E153-Q182 PolarHBondContact OE2-NE2 3.4Å; Q182-L187 HydrophobicContact CB-CD2 4.01Å; Q182-L187 HydrophobicContact CG-CD2 4.44Å; Q182-M217 PolarHBondContact NE2-SD 2.86Å; Q182-P219 HydrophobicContact CB-CG 4.46Å
183	A	88.6	Confident	93.7	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.033	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	140.6	173.2	0	0	0	0	0	110.2	F140 A142 I167 F181 S186 F188	F140-A183 HydrophobicContact CE1-CB 3.49Å; F140-A183 VanDerWaalsContact CE1-CB 3.49Å; F140-A183 HydrophobicContact CZ-CB 3.58Å; A142-A183 HydrophobicContact CB-CB 4.23Å; I167-A183 HydrophobicContact CG1-CB 4.34Å; F181-A183 HydrophobicContact CD2-CB 4.28Å; F181-A183 HydrophobicContact CE2-CB 4.44Å; A183-S186 PolarHBondContact N-O 3.08Å; A183-S186 PolarHBondContact O-N 3.29Å; A183-F188 HydrophobicContact CB-CD2 3.94Å; A183-F188 HydrophobicContact CB-CE2 4.29Å; A183-F188 WeakPolarHBondContact O-CE2 3.37Å
184	S	81.9	Confident	93	Very high	37 Å²	37	24 Å²	24	26%	0.259	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	-137.8	-155.7	75.2	0	0	0	0	110.5	A142	A142-S184 PolarHBondContact O-N 2.99Å
185	N	84.8	Confident	92.6	Very high	68 Å²	68	29 Å²	29	36%	0.364	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	27.4	174.8	-61.4	-51.9	0	0	0	112.3	S150	S150-N185 PolarHBondContact N-OD1 2.73Å
186	S	90.9	Very high	92.2	Very high	13 Å²	13	27.9 Å²	27.9	9%	0.091	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	171.7	-174.6	-160.7	0	0	0	0	112.6	A183 E207 R216	A183-S186 PolarHBondContact N-O 3.08Å; A183-S186 PolarHBondContact O-N 3.29Å; S186-E207 WeakPolarHBondContact CB-OE1 3.16Å; S186-E207 PolarHBondContact OG-OE1 3.03Å; S186-R216 PolarHBondContact OG-NH2 3.17Å
187	L	95.8	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136	-177.4	-62.5	-175.8	0	0	0	111.4	Q182 I208 R216 P219 F229 F231	Q182-L187 HydrophobicContact CB-CD2 4.01Å; Q182-L187 HydrophobicContact CG-CD2 4.44Å; L187-I208 HydrophobicContact CB-CB 4.49Å; L187-I208 HydrophobicContact CB-CD1 4.3Å; L187-I208 PolarHBondContact O-N 3.31Å; L187-R216 HydrophobicContact CD1-CB 3.71Å; L187-R216 HydrophobicContact CG-CB 3.92Å; L187-P219 HydrophobicContact CD1-CB 3.99Å; L187-P219 HydrophobicContact CD2-CB 3.74Å; L187-P219 HydrophobicContact CD2-CG 3.69Å; L187-F229 HydrophobicContact CD1-CE2 3.77Å; L187-F231 HydrophobicContact CD1-CB 4.23Å; L187-F231 HydrophobicContact CD1-CD1 4.31Å; L187-F231 HydrophobicContact CD1-CG 4.34Å
188	F	96.8	Very high	91.8	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.088	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150	-174.9	-72.7	-92.1	0	0	0	111.2	F140 F181 A183 P205 L206 E207	F140-F188 AromaticContact CE2-CD1 3.95Å; F140-F188 HydrophobicContact CE2-CD1 3.95Å; F140-F188 HydrophobicContact CE2-CD2 4.49Å; F140-F188 AromaticContact CE2-CE1 3.61Å; F140-F188 HydrophobicContact CE2-CE1 3.61Å; F140-F188 HydrophobicContact CE2-CE2 4.2Å; F140-F188 HydrophobicContact CE2-CG 4.38Å; F140-F188 AromaticContact CE2-CZ 3.75Å; F140-F188 HydrophobicContact CE2-CZ 3.75Å; F140-F188 AromaticContact CZ-CD1 3.96Å; F140-F188 HydrophobicContact CZ-CD1 3.96Å; F140-F188 AromaticContact CZ-CD2 3.84Å; F140-F188 HydrophobicContact CZ-CD2 3.84Å; F140-F188 AromaticContact CZ-CE1 3.92Å; F140-F188 HydrophobicContact CZ-CE1 3.92Å; F140-F188 AromaticContact CZ-CE2 3.81Å; F140-F188 HydrophobicContact CZ-CE2 3.81Å; F140-F188 AromaticContact CZ-CG 3.92Å; F140-F188 HydrophobicContact CZ-CG 3.92Å; F140-F188 AromaticContact CZ-CZ 3.86Å; F140-F188 HydrophobicContact CZ-CZ 3.86Å; F181-F188 HydrophobicContact CD2-CB 4.02Å; F181-F188 HydrophobicContact CE2-CB 3.58Å; F181-F188 HydrophobicContact CE2-CG 4.43Å; F181-F188 HydrophobicContact CZ-CB 3.91Å; F181-F188 PolarHBondContact N-O 2.91Å; F181-F188 PolarHBondContact O-N 3.26Å; A183-F188 HydrophobicContact CB-CD2 3.94Å; A183-F188 HydrophobicContact CB-CE2 4.29Å; A183-F188 WeakPolarHBondContact O-CE2 3.37Å; F188-P205 HydrophobicContact CB-CB 4.22Å; F188-P205 HydrophobicContact CD1-CB 4.02Å; F188-P205 HydrophobicContact CD1-CG 4.08Å; F188-L206 WeakPolarHBondContact CA-O 3.11Å; F188-E207 HydrophobicContact CD1-CB 4.04Å; F188-E207 HydrophobicContact CE1-CB 3.59Å; F188-E207 HydrophobicContact CE1-CG 4.12Å; F188-E207 HydrophobicContact CZ-CB 4.09Å; F188-E207 HydrophobicContact CZ-CG 4.12Å
189	H	97	Very high	91.6	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.093	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.5	173.5	80.2	111.2	0	0	0	113	L178 F179 L206 I208	L178-H189 HydrophobicContact CD1-CB 4.12Å; F179-H189 WeakPolarHBondContact O-CA 3.42Å; F179-H189 VanDerWaalsContact O-CB 3.27Å; F179-H189 WeakPolarHBondContact O-CB 3.47Å; H189-L206 PolarHBondContact CD2-O 3.42Å; H189-L206 PolarHBondContact N-O 2.86Å; H189-L206 WeakPolarHBondContact NE2-CB 3.3Å; H189-L206 PolarHBondContact O-N 2.84Å; H189-I208 HydrophobicContact CB-CD1 4.28Å
190	C	96.1	Very high	91	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	171.3	169.6	66.3	0	0	0	0	110.7	F179 M203	F179-C190 PolarHBondContact N-O 2.83Å; F179-C190 PolarHBondContact O-N 2.83Å; F179-C190 VanDerWaalsContact O-N 3.14Å; C190-M203 HydrophobicContact CB-CE 3.82Å; C190-M203 HydrophobicContact CB-CG 4.44Å; C190-M203 HydrophobicContact CB-SD 3.73Å
191	R	95.8	Very high	90.6	Very high	80 Å²	80	42.5 Å²	42.5	30%	0.302	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.2	-178	-68.1	-178.9	178.7	-176	-1.3	110	G177 L178 N196 E243	G177-R191 CarbonylContact O-C 3.6Å; G177-R191 VanDerWaalsContact O-CA 3.31Å; G177-R191 WeakPolarHBondContact O-CA 3.34Å; L178-R191 HydrophobicContact CD1-CG 4.11Å; R191-N196 HydrophobicContact CB-CB 4.48Å; R191-E243 IonicContact CZ-OE1 2.7Å; R191-E243 VanDerWaalsContact CZ-OE1 3.27Å; R191-E243 IonicContact NH1-OE1 3.39Å; R191-E243 PolarHBondContact NH1-OE1 3.15Å; R191-E243 IonicContact NH2-OE1 2.73Å; R191-E243 PolarHBondContact NH2-OE1 3.1Å
192	D	95.7	Very high	90.3	Very high	2 Å²	2	45 Å²	45	1%	0.011	26%	0.257	C	S	.	.			trans	-152.5	135.9	175.8	-167.3	31.4	0	0	0	111.9	R99 Y101 M136 G177 F179 F198 M199	R99-D192 IonicContact CZ-OD2 3.98Å; R99-D192 VanDerWaalsContact NH1-CG 3.32Å; R99-D192 IonicContact NH1-OD1 3.36Å; R99-D192 PolarHBondContact NH1-OD1 2.7Å; R99-D192 VanDerWaalsContact NH1-OD1 3.15Å; R99-D192 IonicContact NH1-OD2 3.53Å; R99-D192 PolarHBondContact NH1-OD2 2.99Å; Y101-D192 HydrophobicContact CE1-CB 4.31Å; Y101-D192 VanDerWaalsContact CE1-OD2 3.26Å; Y101-D192 WeakPolarHBondContact CE1-OD2 3.31Å; Y101-D192 VanDerWaalsContact OH-C 3.25Å; Y101-D192 VanDerWaalsContact OH-CG 3.27Å; Y101-D192 PolarHBondContact OH-O 3.27Å; Y101-D192 VanDerWaalsContact OH-O 3.07Å; Y101-D192 PolarHBondContact OH-OD2 2.88Å; Y101-D192 VanDerWaalsContact OH-OD2 3.05Å; M136-D192 HydrophobicContact CE-CB 3.52Å; G177-D192 WeakPolarHBondContact CA-O 3.39Å; G177-D192 PolarHBondContact O-N 2.79Å; F179-D192 HydrophobicContact CE2-CB 4.27Å; D192-F198 VanDerWaalsContact OD1-CA 3.31Å; D192-F198 WeakPolarHBondContact OD1-CA 3.43Å; D192-M199 HydrophobicContact CB-CE 3.62Å; D192-M199 PolarHBondContact OD1-N 2.87Å
193	G	90.2	Very high	90.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	74.5	-162.6	-166.8	0	0	0	0	0	112.9	Y101 K195 N196 G197	Y101-G193 PolarHBondContact OH-N 3.19Å; G193-K195 PolarHBondContact O-N 2.82Å; G193-N196 PolarHBondContact O-N 3.29Å; G193-N196 VanDerWaalsContact O-N 3.15Å; G193-G197 VanDerWaalsContact CA-O 3.23Å; G193-G197 WeakPolarHBondContact CA-O 3.22Å; G193-G197 PolarHBondContact N-O 2.92Å
194	G	83.6	Confident	90.5	Very high	37 Å²	37	52.8 Å²	52.8	38%	0.381	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	54.7	-139.4	-173.5	0	0	0	0	0	111.8	E175 N196	E175-G194 VanDerWaalsContact O-CA 3.31Å; E175-G194 WeakPolarHBondContact O-CA 3.45Å; G194-N196 PolarHBondContact O-N 2.88Å
195	K	81.3	Confident	91.1	Very high	157 Å²	157	51.9 Å²	51.9	68%	0.683	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-68.6	-11.8	177.3	-65.5	174.1	-174.6	167.3	0	115	E175 G193	E175-K195 PolarHBondContact O-N 3.39Å; E175-K195 VanDerWaalsContact O-N 3.17Å; E175-K195 WeakPolarHBondContact OE1-CE 3.32Å; E175-K195 IonicContact OE1-NZ 3.29Å; E175-K195 PolarHBondContact OE1-NZ 3.47Å; G193-K195 PolarHBondContact O-N 2.82Å
196	N	84.6	Confident	91.6	Very high	90 Å²	90	53.4 Å²	53.4	48%	0.481	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-89.7	-4.6	-174.8	-69.9	-75.8	0	0	0	114.2	S176 R191 G193 G194	S176-N196 PolarHBondContact O-ND2 2.96Å; R191-N196 HydrophobicContact CB-CB 4.48Å; G193-N196 PolarHBondContact O-N 3.29Å; G193-N196 VanDerWaalsContact O-N 3.15Å; G194-N196 PolarHBondContact O-N 2.88Å
197	G	88.6	Confident	91.8	Very high	35 Å²	35	58.2 Å²	58.2	36%	0.361	31%	0.313	S	S	.	.			trans	74.1	-171	-171.7	0	0	0	0	0	112.3	G193	G193-G197 VanDerWaalsContact CA-O 3.23Å; G193-G197 WeakPolarHBondContact CA-O 3.22Å; G193-G197 PolarHBondContact N-O 2.92Å
198	F	93	Very high	91.8	Very high	54 Å²	54	59 Å²	59	24%	0.237	32%	0.317	C	S	.	.			trans	-117.1	123.9	-173.4	-69.8	-78.2	0	0	0	112.5	V87 K89 R99 D192	V87-F198 HydrophobicContact CG1-CE1 4.13Å; V87-F198 HydrophobicContact CG1-CZ 4.02Å; K89-F198 HydrophobicContact CB-CE2 4.45Å; K89-F198 HydrophobicContact CD-CD2 4.09Å; K89-F198 HydrophobicContact CD-CE2 4.03Å; K89-F198 HydrophobicContact CD-CG 4.49Å; K89-F198 HydrophobicContact CD-CZ 4.35Å; K89-F198 HydrophobicContact CG-CD2 4.29Å; K89-F198 HydrophobicContact CG-CE1 4.48Å; K89-F198 HydrophobicContact CG-CE2 3.7Å; K89-F198 HydrophobicContact CG-CZ 3.81Å; R99-F198 HydrophobicContact CB-CD1 4.23Å; R99-F198 HydrophobicContact CB-CE1 3.96Å; D192-F198 VanDerWaalsContact OD1-CA 3.31Å; D192-F198 WeakPolarHBondContact OD1-CA 3.43Å
199	M	92.9	Very high	91.7	Very high	27 Å²	27	66.8 Å²	66.8	13%	0.133	35%	0.351	C	S	.	.			trans	-60.5	153.7	176.6	78.5	171.7	77.6	0	0	112.4	R99 Y116 M136 D192 S201 M203	R99-M199 PolarHBondContact NH1-O 3.06Å; R99-M199 PolarHBondContact NH2-O 2.83Å; Y116-M199 HydrophobicContact CE1-CG 4.2Å; Y116-M199 HydrophobicContact CE1-SD 4.11Å; M136-M199 HydrophobicContact CE-CE 3.65Å; M136-M199 HydrophobicContact CG-CE 3.44Å; M136-M199 VanDerWaalsContact CG-CE 3.44Å; M136-M199 HydrophobicContact CG-SD 4.01Å; M136-M199 HydrophobicContact SD-CE 4.44Å; D192-M199 HydrophobicContact CB-CE 3.62Å; D192-M199 PolarHBondContact OD1-N 2.87Å; M199-S201 VanDerWaalsContact SD-O 3.32Å; M199-M203 HydrophobicContact CE-CG 3.78Å; M199-M203 HydrophobicContact CE-SD 3.41Å; M199-M203 WeakPolarHBondContact CE-SD 3.37Å; M199-M203 HydrophobicContact SD-CG 4.38Å
200	V	86.3	Confident	91.6	Very high	133 Å²	133	68.4 Å²	68.4	81%	0.806	36%	0.362	S	S	*	.	S	Bend	trans	-118.2	-29.7	175.9	-176	0	0	0	0	112.2
201	S	88.4	Confident	91.4	Very high	84 Å²	84	74.5 Å²	74.5	59%	0.587	39%	0.391	S	S	*	.	S	Bend	trans	-107.7	159.8	168.4	56.9	0	0	0	0	110.5	M199	M199-S201 VanDerWaalsContact SD-O 3.32Å
202	P	91.7	Very high	91.2	Very high	54 Å²	54	71.5 Å²	71.5	35%	0.351	38%	0.382	S	S	.	.			trans	-56.7	154.3	169	-20	31.6	0	0	0	111.7	Q135 M136 D138	Q135-P202 HydrophobicContact CB-CG 4.34Å; M136-P202 WeakPolarHBondContact O-CA 3.2Å; D138-P202 HydrophobicContact CB-CB 4.07Å
203	M	93.2	Very high	90.8	Very high	54 Å²	54	78.2 Å²	78.2	27%	0.266	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-120.7	155.9	176.9	69.7	-176.4	-65.2	0	0	111.4	M136 L137 D138 C190 M199	M136-M203 PolarHBondContact O-N 3.49Å; L137-M203 CarbonylContact C-O 3.59Å; L137-M203 VanDerWaalsContact CA-O 3.3Å; L137-M203 WeakPolarHBondContact CA-O 3.33Å; D138-M203 PolarHBondContact N-O 3.21Å; C190-M203 HydrophobicContact CB-CE 3.82Å; C190-M203 HydrophobicContact CB-CG 4.44Å; C190-M203 HydrophobicContact CB-SD 3.73Å; M199-M203 HydrophobicContact CE-CG 3.78Å; M199-M203 HydrophobicContact CE-SD 3.41Å; M199-M203 WeakPolarHBondContact CE-SD 3.37Å; M199-M203 HydrophobicContact SD-CG 4.38Å
204	K	93.1	Very high	90.6	Very high	143 Å²	143	79.2 Å²	79.2	62%	0.622	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-80.1	130.5	169.9	-67.3	-170.4	177.8	-169.1	0	109.4	D138	D138-K204 HydrophobicContact CB-CG 3.94Å; D138-K204 WeakPolarHBondContact OD2-CE 3.47Å; D138-K204 IonicContact OD2-NZ 2.7Å
205	P	94.1	Very high	91	Very high	17 Å²	17	78.4 Å²	78.4	11%	0.11	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-67.8	149.7	171.7	30.6	-33.7	0	0	0	109.9	L137 F140 F181 F188	L137-P205 HydrophobicContact CD2-CB 4.16Å; L137-P205 HydrophobicContact CD2-CG 4.33Å; F140-P205 HydrophobicContact CB-CG 4.4Å; F140-P205 HydrophobicContact CD1-CG 4.18Å; F140-P205 HydrophobicContact CD2-CG 3.52Å; F140-P205 HydrophobicContact CE1-CG 4.31Å; F140-P205 HydrophobicContact CE2-CG 3.7Å; F140-P205 HydrophobicContact CG-CG 3.78Å; F140-P205 HydrophobicContact CZ-CG 4.09Å; F181-P205 HydrophobicContact CZ-CB 3.89Å; F188-P205 HydrophobicContact CB-CB 4.22Å; F188-P205 HydrophobicContact CD1-CB 4.02Å; F188-P205 HydrophobicContact CD1-CG 4.08Å
206	L	94.8	Very high	91.6	Very high	101 Å²	101	71.3 Å²	71.3	53%	0.529	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.6	177.5	-63.9	173.8	0	0	0	108.8	F188 H189	F188-L206 WeakPolarHBondContact CA-O 3.11Å; H189-L206 PolarHBondContact CD2-O 3.42Å; H189-L206 PolarHBondContact N-O 2.86Å; H189-L206 WeakPolarHBondContact NE2-CB 3.3Å; H189-L206 PolarHBondContact O-N 2.84Å
207	E	95.2	Very high	92.2	Very high	113 Å²	113	67.7 Å²	67.7	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.8	173.7	-175.9	172	-152.5	0	0	110.3	S186 F188 K209	S186-E207 WeakPolarHBondContact CB-OE1 3.16Å; S186-E207 PolarHBondContact OG-OE1 3.03Å; F188-E207 HydrophobicContact CD1-CB 4.04Å; F188-E207 HydrophobicContact CE1-CB 3.59Å; F188-E207 HydrophobicContact CE1-CG 4.12Å; F188-E207 HydrophobicContact CZ-CB 4.09Å; F188-E207 HydrophobicContact CZ-CG 4.12Å; E207-K209 PolarHBondContact O-N 2.76Å
208	I	96.3	Very high	92.6	Very high	17 Å²	17	67.7 Å²	67.7	9%	0.087	36%	0.362	C	S	.	.			trans	-83.6	108.1	172.9	-52.2	170.3	0	0	0	107.9	L180 L187 H189 R216 F229 I242	L180-I208 HydrophobicContact CD1-CD1 3.51Å; L187-I208 HydrophobicContact CB-CB 4.49Å; L187-I208 HydrophobicContact CB-CD1 4.3Å; L187-I208 PolarHBondContact O-N 3.31Å; H189-I208 HydrophobicContact CB-CD1 4.28Å; I208-R216 VanDerWaalsContact O-CZ 3.25Å; I208-R216 PolarHBondContact O-NH1 3.5Å; I208-R216 PolarHBondContact O-NH2 3.19Å; I208-F229 HydrophobicContact CD1-CE1 4.2Å; I208-F229 HydrophobicContact CD1-CE2 4.26Å; I208-F229 HydrophobicContact CD1-CZ 3.97Å; I208-F229 HydrophobicContact CG2-CE1 3.98Å; I208-F229 HydrophobicContact CG2-CZ 3.68Å; I208-I242 HydrophobicContact CD1-CG2 4.09Å
209	K	94.3	Very high	92.8	Very high	184 Å²	184	66.2 Å²	66.2	80%	0.8	36%	0.358	S	S	*	.			trans	-60.1	158.5	174.9	-62.8	178.7	-177.6	175.9	0	111.4	E207	E207-K209 PolarHBondContact O-N 2.76Å
210	T	95.1	Very high	93.1	Very high	53 Å²	53	66.8 Å²	66.8	33%	0.325	36%	0.36	S	S	.	.			trans	-149.6	157.4	177.2	-170.8	0	0	0	0	112.2	C212 E247	T210-C212 HydrophobicContact CG2-CB 4.2Å; T210-C212 WeakPolarHBondContact OG1-CB 3.46Å; T210-C212 PolarHBondContact OG1-N 2.9Å; T210-C212 PolarHBondContact OG1-SG 2.86Å; T210-E247 WeakPolarHBondContact CA-OE1 3.44Å; T210-E247 VanDerWaalsContact CA-OE2 3.3Å; T210-E247 WeakPolarHBondContact CA-OE2 3.38Å; T210-E247 WeakPolarHBondContact CB-OE1 3.27Å; T210-E247 PolarHBondContact OG1-OE1 3.36Å; T210-E247 PolarHBondContact OG1-OE2 3.33Å
211	Q	92.5	Very high	93.7	Very high	130 Å²	130	60.8 Å²	60.8	61%	0.607	32%	0.323	S	S	*	.	S	Bend	trans	-88.9	-10.8	164.6	76.9	-160.5	-43.6	0	0	112.7	E247	Q211-E247 WeakPolarHBondContact CG-OE2 3.3Å; Q211-E247 PolarHBondContact N-OE2 2.8Å
212	C	91	Very high	94.1	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.115	30%	0.295	C	S	.	.			trans	-70.2	137.9	178.8	-61.8	0	0	0	0	111.3	T210 N233	T210-C212 HydrophobicContact CG2-CB 4.2Å; T210-C212 WeakPolarHBondContact OG1-CB 3.46Å; T210-C212 PolarHBondContact OG1-N 2.9Å; T210-C212 PolarHBondContact OG1-SG 2.86Å; C212-N233 HydrophobicContact CB-CB 4.47Å
213	T	86.1	Confident	94.4	Very high	143 Å²	143	57.2 Å²	57.2	88%	0.877	30%	0.298	S	S	*	.	S	Bend	trans	-94.7	-22.5	179.8	50.2	0	0	0	0	114.1
214	G	87.1	Confident	94.6	Very high	21 Å²	21	55.8 Å²	55.8	22%	0.216	30%	0.295	C	S	.	.	S	Bend	trans	-88.2	175.7	173.3	0	0	0	0	0	112.7	N233	G214-N233 PolarHBondContact O-ND2 2.76Å
215	P	91	Very high	94.7	Very high	19 Å²	19	50.4 Å²	50.4	12%	0.123	27%	0.273	C	S	.	.			trans	-62.5	161	172.8	31.4	-37.4	0	0	0	111.5	E152 M217 N233	E152-P215 VanDerWaalsContact OE1-CG 3.28Å; E152-P215 WeakPolarHBondContact OE1-CG 3.41Å; E152-P215 WeakPolarHBondContact OE2-CG 3.44Å; P215-M217 HydrophobicContact CB-CG 4.47Å; P215-M217 HydrophobicContact CB-SD 4.19Å; P215-N233 PolarHBondContact O-ND2 2.84Å
216	R	95.2	Very high	94.8	Very high	8 Å²	8	51.2 Å²	51.2	3%	0.03	28%	0.278	C	S	.	.			trans	-118.1	103.1	177	-65.5	177.6	-70.6	169.1	-2.8	108.5	S186 L187 I208 F231 I232	S186-R216 PolarHBondContact OG-NH2 3.17Å; L187-R216 HydrophobicContact CD1-CB 3.71Å; L187-R216 HydrophobicContact CG-CB 3.92Å; I208-R216 VanDerWaalsContact O-CZ 3.25Å; I208-R216 PolarHBondContact O-NH1 3.5Å; I208-R216 PolarHBondContact O-NH2 3.19Å; R216-F231 HydrophobicContact CB-CB 4.28Å; R216-F231 HydrophobicContact CB-CD2 3.71Å; R216-F231 HydrophobicContact CB-CE2 4.26Å; R216-F231 HydrophobicContact CB-CG 4.07Å; R216-F231 HydrophobicContact CG-CD2 3.6Å; R216-F231 HydrophobicContact CG-CE2 3.61Å; R216-F231 HydrophobicContact CG-CG 4.3Å; R216-F231 HydrophobicContact CG-CZ 4.31Å; R216-I232 CarbonylContact C-O 3.6Å; R216-I232 WeakPolarHBondContact CA-O 3.37Å
217	M	95.9	Very high	94.9	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158.7	-169.6	-59.8	-58.4	-67.2	0	0	111.6	E152 E153 L156 Q182 P215 I232	E152-M217 HydrophobicContact CB-CE 4.3Å; E152-M217 HydrophobicContact CB-CG 4.15Å; E152-M217 HydrophobicContact CB-SD 4.3Å; E153-M217 HydrophobicContact CB-CE 3.86Å; E153-M217 HydrophobicContact CB-SD 4.32Å; L156-M217 HydrophobicContact CB-CE 4.4Å; L156-M217 HydrophobicContact CD2-CE 3.63Å; Q182-M217 PolarHBondContact NE2-SD 2.86Å; P215-M217 HydrophobicContact CB-CG 4.47Å; P215-M217 HydrophobicContact CB-SD 4.19Å; M217-I232 HydrophobicContact CB-CB 4.47Å; M217-I232 PolarHBondContact N-O 2.92Å; M217-I232 PolarHBondContact O-N 2.7Å
218	D	96.9	Very high	95.1	Very high	34 Å²	34	41.9 Å²	41.9	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47	59.3	177.9	-168.6	37.2	0	0	0	114.5	K220 T282 Y284	D218-K220 VanDerWaalsContact OD1-CE 3.24Å; D218-K220 WeakPolarHBondContact OD1-CE 3.19Å; D218-K220 IonicContact OD1-NZ 3.49Å; D218-K220 WeakPolarHBondContact OD2-CE 3.47Å; D218-K220 IonicContact OD2-NZ 3.26Å; D218-K220 PolarHBondContact OD2-NZ 3.15Å; D218-T282 WeakPolarHBondContact OD2-CB 3.19Å; D218-T282 PolarHBondContact OD2-OG1 2.92Å; D218-Y284 HydrophobicContact CB-CE1 4.32Å; D218-Y284 PolarHBondContact O-OH 3.38Å; D218-Y284 WeakPolarHBondContact OD2-CE1 3.15Å
219	P	97.9	Very high	95.2	Very high	23 Å²	23	41.1 Å²	41.1	15%	0.149	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.3	-178.1	32.4	-37.1	0	0	0	112.4	L180 Q182 L187 S230	L180-P219 HydrophobicContact CD2-CB 4.06Å; L180-P219 HydrophobicContact CG-CB 4.23Å; Q182-P219 HydrophobicContact CB-CG 4.46Å; L187-P219 HydrophobicContact CD1-CB 3.99Å; L187-P219 HydrophobicContact CD2-CB 3.74Å; L187-P219 HydrophobicContact CD2-CG 3.69Å; P219-S230 VanDerWaalsContact CA-O 3.3Å; P219-S230 WeakPolarHBondContact CA-O 3.5Å
220	K	98.6	Very high	95.4	Very high	39 Å²	39	32.4 Å²	32.4	17%	0.17	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.2	178.7	-58.9	176.2	-161.6	140.6	0	112.7	D218 F229 S230 T282 Y284 W286	D218-K220 VanDerWaalsContact OD1-CE 3.24Å; D218-K220 WeakPolarHBondContact OD1-CE 3.19Å; D218-K220 IonicContact OD1-NZ 3.49Å; D218-K220 WeakPolarHBondContact OD2-CE 3.47Å; D218-K220 IonicContact OD2-NZ 3.26Å; D218-K220 PolarHBondContact OD2-NZ 3.15Å; K220-F229 CarbonylContact O-C 3.4Å; K220-F229 WeakPolarHBondContact O-CA 3.16Å; K220-F229 VanDerWaalsContact O-CB 3.3Å; K220-F229 WeakPolarHBondContact O-CB 3.29Å; K220-S230 PolarHBondContact N-O 2.77Å; K220-S230 PolarHBondContact O-N 3.28Å; K220-S230 PolarHBondContact O-OG 3.22Å; K220-T282 PolarHBondContact NZ-OG1 3.1Å; K220-Y284 HydrophobicContact CB-CE2 4.42Å; K220-Y284 HydrophobicContact CD-CE1 4.47Å; K220-Y284 HydrophobicContact CD-CE2 3.76Å; K220-Y284 HydrophobicContact CG-CE2 4.42Å; K220-Y284 WeakPolarHBondContact CG-OH 3.43Å; K220-Y284 VanDerWaalsContact NZ-CE1 3.32Å; K220-Y284 PolarHBondContact NZ-O 2.79Å; K220-W286 PolarHBondContact O-NE1 2.95Å
221	I	98.7	Very high	95.5	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.9	173.2	-53.8	166.7	0	0	0	108.6	D171 H173 L178 L180 P223 P226	D171-I221 HydrophobicContact CB-CD1 4.29Å; D171-I221 HydrophobicContact CB-CG1 4.37Å; D171-I221 WeakPolarHBondContact OD2-CB 3.39Å; D171-I221 PolarHBondContact OD2-N 2.73Å; H173-I221 HydrophobicContact CB-CD1 4.15Å; H173-I221 HydrophobicContact CB-CG2 4.13Å; L178-I221 HydrophobicContact CB-CD1 4.46Å; L178-I221 HydrophobicContact CD2-CD1 3.93Å; L178-I221 HydrophobicContact CD2-CG1 4.15Å; L178-I221 HydrophobicContact CD2-CG2 4.01Å; L178-I221 HydrophobicContact CG-CD1 3.98Å; L180-I221 HydrophobicContact CB-CD1 3.89Å; L180-I221 HydrophobicContact CB-CG1 3.67Å; L180-I221 HydrophobicContact CD2-CG1 3.77Å; L180-I221 HydrophobicContact CG-CG1 4.39Å; I221-P223 WeakPolarHBondContact O-CD 3.33Å; I221-P226 HydrophobicContact CG2-CB 4.22Å
222	C	98.4	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.7	169.8	-179.9	0	0	0	0	109.8	A224 D225 F228 W286	C222-A224 PolarHBondContact O-N 3.44Å; C222-D225 WeakPolarHBondContact CB-O 3.17Å; C222-D225 CarbonylContact O-C 3.53Å; C222-D225 VanDerWaalsContact O-C 3.22Å; C222-D225 PolarHBondContact O-N 2.97Å; C222-D225 VanDerWaalsContact O-N 3.1Å; C222-F228 HydrophobicContact CB-CB 3.97Å; C222-F228 WeakPolarHBondContact CB-O 3.23Å; C222-F228 PolarHBondContact N-O 2.89Å; C222-W286 HydrophobicContact CB-CD2 3.79Å; C222-W286 HydrophobicContact CB-CE3 3.85Å; C222-W286 HydrophobicContact CB-CG 4.5Å; C222-W286 HydrophobicContact CB-CH2 3.81Å; C222-W286 HydrophobicContact CB-CZ2 3.74Å; C222-W286 HydrophobicContact CB-CZ3 3.85Å; C222-W286 VanDerWaalsContact SG-CZ3 3.52Å
223	P	97.3	Very high	96	Very high	63 Å²	63	23.6 Å²	23.6	41%	0.409	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.4	-177.5	-18.3	31.6	0	0	0	113	I221 W286	I221-P223 WeakPolarHBondContact O-CD 3.33Å; P223-W286 VanDerWaalsContact CD-CB 3.49Å; P223-W286 HydrophobicContact CG-CB 4.28Å
224	A	96.5	Very high	96.3	Very high	24 Å²	24	19.5 Å²	19.5	20%	0.198	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.9	176.5	0	0	0	0	0	113.5	C222 A290 K299 L301	C222-A224 PolarHBondContact O-N 3.44Å; A224-A290 HydrophobicContact CB-CB 4.07Å; A224-K299 PolarHBondContact O-NZ 2.89Å; A224-L301 HydrophobicContact CB-CD2 3.84Å
225	D	96.4	Very high	96.7	Very high	31 Å²	31	21.2 Å²	21.2	17%	0.166	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	98.8	179.2	-156.6	-46.5	0	0	0	113.1	C222 A227 F228 K299 L301	C222-D225 WeakPolarHBondContact CB-O 3.17Å; C222-D225 CarbonylContact O-C 3.53Å; C222-D225 VanDerWaalsContact O-C 3.22Å; C222-D225 PolarHBondContact O-N 2.97Å; C222-D225 VanDerWaalsContact O-N 3.1Å; D225-A227 PolarHBondContact O-N 2.92Å; D225-A227 VanDerWaalsContact OD1-CB 3.29Å; D225-A227 WeakPolarHBondContact OD1-CB 3.3Å; D225-A227 PolarHBondContact OD1-N 2.9Å; D225-F228 HydrophobicContact CB-CD2 4.01Å; D225-F228 PolarHBondContact O-N 2.88Å; D225-K299 IonicContact OD2-NZ 3.33Å; D225-K299 PolarHBondContact OD2-NZ 3.49Å; D225-L301 HydrophobicContact CB-CD1 4.21Å
226	P	96.5	Very high	96.9	Very high	34 Å²	34	20.3 Å²	20.3	22%	0.221	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	1.8	-178.3	31.3	-37.9	0	0	0	114.7	H173 L178 I221 F228 I242	H173-P226 HydrophobicContact CB-CB 4.31Å; L178-P226 HydrophobicContact CD2-CB 4.2Å; L178-P226 VanDerWaalsContact CD2-O 3.28Å; L178-P226 WeakPolarHBondContact CD2-O 3.38Å; I221-P226 HydrophobicContact CG2-CB 4.22Å; P226-F228 VanDerWaalsContact C-N 3.3Å; P226-I242 WeakPolarHBondContact O-CD1 3.36Å
227	A	96.5	Very high	97.1	Very high	15 Å²	15	19.9 Å²	19.9	12%	0.124	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-23.5	164.3	0	0	0	0	0	111.8	D225 N241 I242 E243	D225-A227 PolarHBondContact O-N 2.92Å; D225-A227 VanDerWaalsContact OD1-CB 3.29Å; D225-A227 WeakPolarHBondContact OD1-CB 3.3Å; D225-A227 PolarHBondContact OD1-N 2.9Å; A227-N241 CarbonylContact O-C 3.58Å; A227-N241 VanDerWaalsContact O-CA 3.23Å; A227-N241 WeakPolarHBondContact O-CA 3.48Å; A227-N241 PolarHBondContact O-OD1 3.15Å; A227-I242 PolarHBondContact O-N 3.36Å; A227-E243 HydrophobicContact CB-CG 4.47Å
228	F	98.3	Very high	97.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.5	-178.9	-68.6	-87.8	0	0	0	112.8	C222 D225 P226 V239 A240 N241 W286 L301 F350 T352 G356 I358	C222-F228 HydrophobicContact CB-CB 3.97Å; C222-F228 WeakPolarHBondContact CB-O 3.23Å; C222-F228 PolarHBondContact N-O 2.89Å; D225-F228 HydrophobicContact CB-CD2 4.01Å; D225-F228 PolarHBondContact O-N 2.88Å; P226-F228 VanDerWaalsContact C-N 3.3Å; F228-V239 HydrophobicContact CD1-CG1 3.92Å; F228-A240 WeakPolarHBondContact CA-O 3.22Å; F228-N241 HydrophobicContact CD1-CB 4.02Å; F228-N241 HydrophobicContact CE1-CB 3.87Å; F228-N241 HydrophobicContact CZ-CB 4.42Å; F228-N241 WeakPolarHBondContact CZ-ND2 3.23Å; F228-W286 HydrophobicContact CB-CH2 4.43Å; F228-L301 HydrophobicContact CD2-CD1 4.01Å; F228-L301 HydrophobicContact CE2-CD1 4.38Å; F228-L301 HydrophobicContact CG-CD1 4.34Å; F228-F350 HydrophobicContact CD1-CE2 4.13Å; F228-F350 HydrophobicContact CD1-CZ 4.39Å; F228-F350 HydrophobicContact CE1-CE2 4.09Å; F228-T352 HydrophobicContact CE1-CG2 4.04Å; F228-T352 HydrophobicContact CE2-CG2 3.87Å; F228-T352 HydrophobicContact CZ-CG2 3.38Å; F228-G356 WeakPolarHBondContact CZ-O 3.44Å; F228-I358 HydrophobicContact CE1-CD1 4.3Å; F228-I358 HydrophobicContact CE1-CG1 4.01Å
229	F	98.6	Very high	97.3	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.6	169.4	77	-74.2	0	0	0	109.9	L180 L187 I208 K220 F231 V239 A240 I242	L180-F229 HydrophobicContact CD1-CD2 4.38Å; L180-F229 HydrophobicContact CD2-CB 3.75Å; L180-F229 HydrophobicContact CD2-CD2 3.95Å; L180-F229 HydrophobicContact CD2-CG 4.13Å; L187-F229 HydrophobicContact CD1-CE2 3.77Å; I208-F229 HydrophobicContact CD1-CE1 4.2Å; I208-F229 HydrophobicContact CD1-CE2 4.26Å; I208-F229 HydrophobicContact CD1-CZ 3.97Å; I208-F229 HydrophobicContact CG2-CE1 3.98Å; I208-F229 HydrophobicContact CG2-CZ 3.68Å; K220-F229 CarbonylContact O-C 3.4Å; K220-F229 WeakPolarHBondContact O-CA 3.16Å; K220-F229 VanDerWaalsContact O-CB 3.3Å; K220-F229 WeakPolarHBondContact O-CB 3.29Å; F229-F231 HydrophobicContact CD2-CD1 4.11Å; F229-F231 AromaticContact CE2-CD1 3.48Å; F229-F231 HydrophobicContact CE2-CD1 3.48Å; F229-F231 VanDerWaalsContact CE2-CD1 3.48Å; F229-F231 AromaticContact CE2-CE1 3.88Å; F229-F231 HydrophobicContact CE2-CE1 3.88Å; F229-F231 HydrophobicContact CZ-CD1 4.14Å; F229-F231 HydrophobicContact CZ-CE1 4.06Å; F229-V239 CarbonylContact O-C 3.51Å; F229-V239 WeakPolarHBondContact O-CA 3.47Å; F229-A240 HydrophobicContact CD1-CB 4.09Å; F229-A240 VanDerWaalsContact CD1-O 3.27Å; F229-A240 WeakPolarHBondContact CD1-O 3.29Å; F229-A240 HydrophobicContact CE1-CB 3.38Å; F229-A240 HydrophobicContact CE2-CB 4.42Å; F229-A240 HydrophobicContact CZ-CB 3.57Å; F229-A240 PolarHBondContact N-O 2.93Å; F229-A240 PolarHBondContact O-N 2.77Å; F229-A240 VanDerWaalsContact O-O 3.14Å; F229-I242 HydrophobicContact CD1-CG2 3.41Å; F229-I242 VanDerWaalsContact CD1-CG2 3.41Å; F229-I242 HydrophobicContact CE1-CG2 3.62Å; F229-I242 HydrophobicContact CG-CG2 4.35Å
230	S	98.6	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.7	178.8	53.4	0	0	0	0	111	P219 K220 W238 Y284 W286	P219-S230 VanDerWaalsContact CA-O 3.3Å; P219-S230 WeakPolarHBondContact CA-O 3.5Å; K220-S230 PolarHBondContact N-O 2.77Å; K220-S230 PolarHBondContact O-N 3.28Å; K220-S230 PolarHBondContact O-OG 3.22Å; S230-W238 WeakPolarHBondContact CA-O 3.35Å; S230-W238 VanDerWaalsContact CB-O 3.3Å; S230-W238 WeakPolarHBondContact CB-O 3.46Å; S230-Y284 PolarHBondContact O-OH 2.79Å; S230-Y284 WeakPolarHBondContact OG-CE2 3.42Å; S230-Y284 VanDerWaalsContact OG-CZ 3.25Å; S230-Y284 PolarHBondContact OG-OH 2.95Å; S230-W286 PolarHBondContact OG-NE1 3.47Å
231	F	98.4	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	163.7	173	55.3	-88.1	0	0	0	110	L187 R216 F229 N233 W238 A240	L187-F231 HydrophobicContact CD1-CB 4.23Å; L187-F231 HydrophobicContact CD1-CD1 4.31Å; L187-F231 HydrophobicContact CD1-CG 4.34Å; R216-F231 HydrophobicContact CB-CB 4.28Å; R216-F231 HydrophobicContact CB-CD2 3.71Å; R216-F231 HydrophobicContact CB-CE2 4.26Å; R216-F231 HydrophobicContact CB-CG 4.07Å; R216-F231 HydrophobicContact CG-CD2 3.6Å; R216-F231 HydrophobicContact CG-CE2 3.61Å; R216-F231 HydrophobicContact CG-CG 4.3Å; R216-F231 HydrophobicContact CG-CZ 4.31Å; F229-F231 HydrophobicContact CD2-CD1 4.11Å; F229-F231 AromaticContact CE2-CD1 3.48Å; F229-F231 HydrophobicContact CE2-CD1 3.48Å; F229-F231 VanDerWaalsContact CE2-CD1 3.48Å; F229-F231 AromaticContact CE2-CE1 3.88Å; F229-F231 HydrophobicContact CE2-CE1 3.88Å; F229-F231 HydrophobicContact CZ-CD1 4.14Å; F229-F231 HydrophobicContact CZ-CE1 4.06Å; F231-N233 HydrophobicContact CD2-CB 4.02Å; F231-N233 HydrophobicContact CE2-CB 3.89Å; F231-W238 HydrophobicContact CD1-CB 4.41Å; F231-W238 HydrophobicContact CD2-CB 3.95Å; F231-W238 HydrophobicContact CD2-CG 4.37Å; F231-W238 HydrophobicContact CE1-CB 4.09Å; F231-W238 HydrophobicContact CE2-CB 3.56Å; F231-W238 HydrophobicContact CE2-CD2 4.32Å; F231-W238 AromaticContact CE2-CG 3.78Å; F231-W238 HydrophobicContact CE2-CG 3.78Å; F231-W238 HydrophobicContact CG-CB 4.37Å; F231-W238 HydrophobicContact CZ-CB 3.65Å; F231-W238 HydrophobicContact CZ-CG 4.16Å; F231-W238 PolarHBondContact N-O 3.05Å; F231-W238 PolarHBondContact O-N 3.24Å; F231-A240 HydrophobicContact CE1-CB 3.94Å
232	I	97.7	Very high	97.1	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.051	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.3	165.8	-57.1	-52	0	0	0	109.1	R216 M217 D236 L237 V269 Y284	R216-I232 CarbonylContact C-O 3.6Å; R216-I232 WeakPolarHBondContact CA-O 3.37Å; M217-I232 HydrophobicContact CB-CB 4.47Å; M217-I232 PolarHBondContact N-O 2.92Å; M217-I232 PolarHBondContact O-N 2.7Å; I232-D236 WeakPolarHBondContact CA-O 3.3Å; I232-L237 HydrophobicContact CD1-CB 4.33Å; I232-L237 HydrophobicContact CD1-CD1 4.13Å; I232-V269 HydrophobicContact CG1-CG2 4.35Å; I232-V269 HydrophobicContact CG2-CG2 3.73Å; I232-Y284 HydrophobicContact CD1-CD1 3.84Å; I232-Y284 HydrophobicContact CD1-CE1 4.03Å; I232-Y284 HydrophobicContact CG1-CD1 4.32Å; I232-Y284 HydrophobicContact CG1-CE1 4.18Å
233	N	95.4	Very high	96.8	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.3	167.2	172.2	-103.5	0	0	0	109.9	C212 G214 P215 F231 N235 D236 W238	C212-N233 HydrophobicContact CB-CB 4.47Å; G214-N233 PolarHBondContact O-ND2 2.76Å; P215-N233 PolarHBondContact O-ND2 2.84Å; F231-N233 HydrophobicContact CD2-CB 4.02Å; F231-N233 HydrophobicContact CE2-CB 3.89Å; N233-N235 PolarHBondContact O-N 2.86Å; N233-D236 PolarHBondContact N-O 2.79Å; N233-D236 PolarHBondContact O-N 3.11Å; N233-W238 PolarHBondContact O-NE1 3.33Å
234	N	92.6	Very high	96.7	Very high	56 Å²	56	23.7 Å²	23.7	30%	0.299	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	52.8	-176.9	-63.5	-69	0	0	0	112.4	D236 H254	N234-D236 PolarHBondContact O-N 3Å; N234-D236 VanDerWaalsContact O-N 3.14Å; N234-H254 WeakPolarHBondContact O-CB 3.5Å; N234-H254 PolarHBondContact O-ND1 2.95Å
235	N	94.6	Very high	96.6	Very high	57 Å²	57	25.4 Å²	25.4	31%	0.305	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	11.1	178.1	-64.8	-30.8	0	0	0	117.2	N233 H254 S266 A267	N233-N235 PolarHBondContact O-N 2.86Å; N235-H254 HydrophobicContact CB-CB 3.96Å; N235-H254 PolarHBondContact ND2-NE2 3.39Å; N235-S266 CarbonylContact O-C 3.49Å; N235-S266 WeakPolarHBondContact O-CA 3.48Å; N235-A267 PolarHBondContact O-N 2.71Å
236	D	96.7	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	157.4	173.1	-90.2	-61	0	0	0	112.6	I232 N233 N234 R249 T251 Y252 C253 H254	I232-D236 WeakPolarHBondContact CA-O 3.3Å; N233-D236 PolarHBondContact N-O 2.79Å; N233-D236 PolarHBondContact O-N 3.11Å; N234-D236 PolarHBondContact O-N 3Å; N234-D236 VanDerWaalsContact O-N 3.14Å; D236-R249 IonicContact OD2-CZ 3.7Å; D236-R249 IonicContact OD2-NE 3.34Å; D236-R249 IonicContact OD2-NH2 3.75Å; D236-R249 PolarHBondContact OD2-NH2 3.13Å; D236-T251 WeakPolarHBondContact CB-O 3.48Å; D236-T251 WeakPolarHBondContact CB-OG1 3.41Å; D236-T251 WeakPolarHBondContact OD1-CB 3.23Å; D236-T251 PolarHBondContact OD1-OG1 3.44Å; D236-Y252 PolarHBondContact OD1-N 3.36Å; D236-C253 PolarHBondContact OD1-N 2.88Å; D236-C253 PolarHBondContact OD2-N 3.01Å; D236-C253 VanDerWaalsContact OD2-N 3.07Å; D236-H254 WeakPolarHBondContact OD2-CB 3.1Å; D236-H254 PolarHBondContact OD2-N 3.29Å
237	L	98.2	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	178.5	178.2	65.5	0	0	0	111.5	I232 M250 T251 Y284 I303 Y305 A348	I232-L237 HydrophobicContact CD1-CB 4.33Å; I232-L237 HydrophobicContact CD1-CD1 4.13Å; L237-M250 HydrophobicContact CB-CB 4.45Å; L237-M250 HydrophobicContact CD2-CB 4.3Å; L237-M250 HydrophobicContact CG-CB 4.19Å; L237-M250 WeakPolarHBondContact O-CB 3.25Å; L237-M250 PolarHBondContact O-N 3.29Å; L237-T251 HydrophobicContact CB-CG2 4.1Å; L237-T251 PolarHBondContact N-OG1 2.88Å; L237-T251 PolarHBondContact O-N 3.01Å; L237-Y284 HydrophobicContact CD1-CD1 4.13Å; L237-Y284 HydrophobicContact CD1-CD2 4.03Å; L237-Y284 HydrophobicContact CD1-CE1 4.34Å; L237-Y284 HydrophobicContact CD1-CE2 4.26Å; L237-Y284 HydrophobicContact CD1-CG 3.95Å; L237-I303 HydrophobicContact CD1-CD1 4.44Å; L237-I303 HydrophobicContact CD2-CB 4.25Å; L237-I303 HydrophobicContact CD2-CD1 4.08Å; L237-I303 HydrophobicContact CD2-CG2 3.81Å; L237-Y305 HydrophobicContact CD2-CD1 4.43Å; L237-Y305 HydrophobicContact CD2-CG 4.48Å; L237-A348 HydrophobicContact CD2-CB 4.3Å
238	W	98.2	Very high	96.6	Very high	30 Å²	30	28.9 Å²	28.9	11%	0.114	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.9	173.9	-65.7	69.8	0	0	0	110.9	S230 F231 N233 R248 R249	S230-W238 WeakPolarHBondContact CA-O 3.35Å; S230-W238 VanDerWaalsContact CB-O 3.3Å; S230-W238 WeakPolarHBondContact CB-O 3.46Å; F231-W238 HydrophobicContact CD1-CB 4.41Å; F231-W238 HydrophobicContact CD2-CB 3.95Å; F231-W238 HydrophobicContact CD2-CG 4.37Å; F231-W238 HydrophobicContact CE1-CB 4.09Å; F231-W238 HydrophobicContact CE2-CB 3.56Å; F231-W238 HydrophobicContact CE2-CD2 4.32Å; F231-W238 AromaticContact CE2-CG 3.78Å; F231-W238 HydrophobicContact CE2-CG 3.78Å; F231-W238 HydrophobicContact CG-CB 4.37Å; F231-W238 HydrophobicContact CZ-CB 3.65Å; F231-W238 HydrophobicContact CZ-CG 4.16Å; F231-W238 PolarHBondContact N-O 3.05Å; F231-W238 PolarHBondContact O-N 3.24Å; N233-W238 PolarHBondContact O-NE1 3.33Å; W238-R248 WeakPolarHBondContact CA-O 3.1Å; W238-R249 HydrophobicContact CD2-CB 3.82Å; W238-R249 HydrophobicContact CD2-CG 4.19Å; W238-R249 HydrophobicContact CE3-CB 3.78Å; W238-R249 VanDerWaalsContact CE3-N 3.33Å; W238-R249 HydrophobicContact CH2-CB 3.84Å; W238-R249 HydrophobicContact CH2-CG 4.42Å; W238-R249 HydrophobicContact CZ2-CB 3.86Å; W238-R249 HydrophobicContact CZ2-CG 3.96Å; W238-R249 HydrophobicContact CZ3-CB 3.78Å
239	V	98.2	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.5	170	169.9	0	0	0	0	108.7	F228 F229 R248 M250 W286 I303 F350 I358	F228-V239 HydrophobicContact CD1-CG1 3.92Å; F229-V239 CarbonylContact O-C 3.51Å; F229-V239 WeakPolarHBondContact O-CA 3.47Å; V239-R248 PolarHBondContact N-O 2.98Å; V239-R248 PolarHBondContact O-N 3Å; V239-M250 HydrophobicContact CB-CG 4.11Å; V239-M250 HydrophobicContact CB-SD 4.23Å; V239-M250 HydrophobicContact CG2-CG 3.73Å; V239-M250 HydrophobicContact CG2-SD 4.18Å; V239-W286 HydrophobicContact CG1-CH2 4.09Å; V239-W286 HydrophobicContact CG2-CH2 3.88Å; V239-W286 HydrophobicContact CG2-CZ2 4.13Å; V239-I303 HydrophobicContact CG2-CD1 3.53Å; V239-F350 HydrophobicContact CG1-CE1 4.16Å; V239-F350 HydrophobicContact CG1-CE2 4.19Å; V239-F350 HydrophobicContact CG1-CZ 3.73Å; V239-F350 HydrophobicContact CG2-CE1 4.09Å; V239-F350 HydrophobicContact CG2-CZ 4.47Å; V239-I358 HydrophobicContact CG1-CD1 4.44Å
240	A	97.9	Very high	96.4	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.7	177.4	0	0	0	0	0	111.6	F228 F229 F231 E246 E247	F228-A240 WeakPolarHBondContact CA-O 3.22Å; F229-A240 HydrophobicContact CD1-CB 4.09Å; F229-A240 VanDerWaalsContact CD1-O 3.27Å; F229-A240 WeakPolarHBondContact CD1-O 3.29Å; F229-A240 HydrophobicContact CE1-CB 3.38Å; F229-A240 HydrophobicContact CE2-CB 4.42Å; F229-A240 HydrophobicContact CZ-CB 3.57Å; F229-A240 PolarHBondContact N-O 2.93Å; F229-A240 PolarHBondContact O-N 2.77Å; F229-A240 VanDerWaalsContact O-O 3.14Å; F231-A240 HydrophobicContact CE1-CB 3.94Å; A240-E246 CarbonylContact C-O 3.57Å; A240-E246 WeakPolarHBondContact CA-O 3.39Å; A240-E247 HydrophobicContact CB-CB 4.33Å; A240-E247 HydrophobicContact CB-CG 3.79Å
241	N	97.6	Very high	96.3	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	179.4	-178.4	-48.4	0	0	0	110.3	A227 F228 E243 T244 G245 E246 G356	A227-N241 CarbonylContact O-C 3.58Å; A227-N241 VanDerWaalsContact O-CA 3.23Å; A227-N241 WeakPolarHBondContact O-CA 3.48Å; A227-N241 PolarHBondContact O-OD1 3.15Å; F228-N241 HydrophobicContact CD1-CB 4.02Å; F228-N241 HydrophobicContact CE1-CB 3.87Å; F228-N241 HydrophobicContact CZ-CB 4.42Å; F228-N241 WeakPolarHBondContact CZ-ND2 3.23Å; N241-E243 VanDerWaalsContact C-N 3.29Å; N241-E243 PolarHBondContact O-N 3.26Å; N241-E243 WeakPolarHBondContact OD1-CA 3.36Å; N241-E243 PolarHBondContact OD1-N 2.81Å; N241-T244 WeakPolarHBondContact CB-OG1 3.49Å; N241-T244 VanDerWaalsContact CG-OG1 3.3Å; N241-T244 PolarHBondContact OD1-N 3.45Å; N241-T244 PolarHBondContact OD1-OG1 3.07Å; N241-G245 WeakPolarHBondContact O-CA 3.4Å; N241-G245 PolarHBondContact O-N 3.26Å; N241-E246 PolarHBondContact N-O 3.1Å; N241-G356 PolarHBondContact ND2-O 2.99Å
242	I	95.7	Very high	96.2	Very high	28 Å²	28	40 Å²	40	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.7	-175.6	65	175.5	0	0	0	113.9	L178 I208 P226 A227 F229	L178-I242 HydrophobicContact CD1-CD1 3.68Å; L178-I242 HydrophobicContact CD2-CD1 3.6Å; L178-I242 HydrophobicContact CG-CD1 4.32Å; I208-I242 HydrophobicContact CD1-CG2 4.09Å; P226-I242 WeakPolarHBondContact O-CD1 3.36Å; A227-I242 PolarHBondContact O-N 3.36Å; F229-I242 HydrophobicContact CD1-CG2 3.41Å; F229-I242 VanDerWaalsContact CD1-CG2 3.41Å; F229-I242 HydrophobicContact CE1-CG2 3.62Å; F229-I242 HydrophobicContact CG-CG2 4.35Å
243	E	93.9	Very high	95.8	Very high	123 Å²	123	40.5 Å²	40.5	58%	0.575	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-34.8	-175.9	-53.8	-155.7	141.9	0	0	112.3	R191 A227 N241	R191-E243 IonicContact CZ-OE1 2.7Å; R191-E243 VanDerWaalsContact CZ-OE1 3.27Å; R191-E243 IonicContact NH1-OE1 3.39Å; R191-E243 PolarHBondContact NH1-OE1 3.15Å; R191-E243 IonicContact NH2-OE1 2.73Å; R191-E243 PolarHBondContact NH2-OE1 3.1Å; A227-E243 HydrophobicContact CB-CG 4.47Å; N241-E243 VanDerWaalsContact C-N 3.29Å; N241-E243 PolarHBondContact O-N 3.26Å; N241-E243 WeakPolarHBondContact OD1-CA 3.36Å; N241-E243 PolarHBondContact OD1-N 2.81Å
244	T	94.6	Very high	95.4	Very high	74 Å²	74	40.9 Å²	40.9	45%	0.454	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-25.5	176.9	69.2	0	0	0	0	113.5	N241 E246	N241-T244 WeakPolarHBondContact CB-OG1 3.49Å; N241-T244 VanDerWaalsContact CG-OG1 3.3Å; N241-T244 PolarHBondContact OD1-N 3.45Å; N241-T244 PolarHBondContact OD1-OG1 3.07Å; T244-E246 VanDerWaalsContact C-N 3.27Å; T244-E246 PolarHBondContact OG1-N 3.22Å
245	G	94	Very high	95	Very high	60 Å²	60	45.7 Å²	45.7	62%	0.619	22%	0.224	S	C	*	.			trans	72.8	13.5	-171.3	0	0	0	0	0	114.3	N241	N241-G245 WeakPolarHBondContact O-CA 3.4Å; N241-G245 PolarHBondContact O-N 3.26Å
246	E	95.9	Very high	94	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	23%	0.233	C	C	.	.			trans	-68.3	131.2	168.9	-179	169.9	-163.6	0	0	110	A240 N241 T244 R248 K357 I358	A240-E246 CarbonylContact C-O 3.57Å; A240-E246 WeakPolarHBondContact CA-O 3.39Å; N241-E246 PolarHBondContact N-O 3.1Å; T244-E246 VanDerWaalsContact C-N 3.27Å; T244-E246 PolarHBondContact OG1-N 3.22Å; E246-R248 IonicContact OE1-CZ 3.19Å; E246-R248 IonicContact OE1-NE 2.7Å; E246-R248 IonicContact OE1-NH2 3.29Å; E246-R248 PolarHBondContact OE1-NH2 2.84Å; E246-K357 WeakPolarHBondContact OE2-CG 3.48Å; E246-I358 PolarHBondContact OE2-N 2.78Å
247	E	96.6	Very high	93	Very high	25 Å²	25	49.2 Å²	49.2	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.6	171.1	-66.2	-167.6	127.6	0	0	110.2	T210 Q211 A240	T210-E247 WeakPolarHBondContact CA-OE1 3.44Å; T210-E247 VanDerWaalsContact CA-OE2 3.3Å; T210-E247 WeakPolarHBondContact CA-OE2 3.38Å; T210-E247 WeakPolarHBondContact CB-OE1 3.27Å; T210-E247 PolarHBondContact OG1-OE1 3.36Å; T210-E247 PolarHBondContact OG1-OE2 3.33Å; Q211-E247 WeakPolarHBondContact CG-OE2 3.3Å; Q211-E247 PolarHBondContact N-OE2 2.8Å; A240-E247 HydrophobicContact CB-CB 4.33Å; A240-E247 HydrophobicContact CB-CG 3.79Å
248	R	96.8	Very high	91.6	Very high	92 Å²	92	55.6 Å²	55.6	35%	0.347	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122	-175.5	-171.5	62.9	58	149.4	5.4	110.5	W238 V239 E246 M250 I358	W238-R248 WeakPolarHBondContact CA-O 3.1Å; V239-R248 PolarHBondContact N-O 2.98Å; V239-R248 PolarHBondContact O-N 3Å; E246-R248 IonicContact OE1-CZ 3.19Å; E246-R248 IonicContact OE1-NE 2.7Å; E246-R248 IonicContact OE1-NH2 3.29Å; E246-R248 PolarHBondContact OE1-NH2 2.84Å; R248-M250 HydrophobicContact CB-SD 4.49Å; R248-M250 HydrophobicContact CG-SD 3.94Å; R248-I358 HydrophobicContact CB-CD1 3.59Å; R248-I358 HydrophobicContact CG-CD1 4.08Å
249	R	96.8	Very high	90.4	Very high	63 Å²	63	56.7 Å²	56.7	24%	0.238	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.9	164.7	-173.7	169	178.6	177.3	-0.3	108.6	D236 W238 T251 Y252 H254	D236-R249 IonicContact OD2-CZ 3.7Å; D236-R249 IonicContact OD2-NE 3.34Å; D236-R249 IonicContact OD2-NH2 3.75Å; D236-R249 PolarHBondContact OD2-NH2 3.13Å; W238-R249 HydrophobicContact CD2-CB 3.82Å; W238-R249 HydrophobicContact CD2-CG 4.19Å; W238-R249 HydrophobicContact CE3-CB 3.78Å; W238-R249 VanDerWaalsContact CE3-N 3.33Å; W238-R249 HydrophobicContact CH2-CB 3.84Å; W238-R249 HydrophobicContact CH2-CG 4.42Å; W238-R249 HydrophobicContact CZ2-CB 3.86Å; W238-R249 HydrophobicContact CZ2-CG 3.96Å; W238-R249 HydrophobicContact CZ3-CB 3.78Å; R249-T251 WeakPolarHBondContact CG-O 3.31Å; R249-T251 PolarHBondContact NE-O 3.48Å; R249-Y252 HydrophobicContact CB-CE1 4.41Å; R249-Y252 HydrophobicContact CG-CD1 4.42Å; R249-Y252 HydrophobicContact CG-CE1 4.09Å; R249-Y252 HydrophobicContact CG-CE2 4.27Å; R249-H254 PolarHBondContact NH2-O 3.09Å
250	M	96.8	Very high	89.3	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.059	32%	0.323	C	S	.	.			trans	-99	-38	-178	-62.9	-56.3	-59.8	0	0	111.9	L237 V239 R248 A348 F350 A361	L237-M250 HydrophobicContact CB-CB 4.45Å; L237-M250 HydrophobicContact CD2-CB 4.3Å; L237-M250 HydrophobicContact CG-CB 4.19Å; L237-M250 WeakPolarHBondContact O-CB 3.25Å; L237-M250 PolarHBondContact O-N 3.29Å; V239-M250 HydrophobicContact CB-CG 4.11Å; V239-M250 HydrophobicContact CB-SD 4.23Å; V239-M250 HydrophobicContact CG2-CG 3.73Å; V239-M250 HydrophobicContact CG2-SD 4.18Å; R248-M250 HydrophobicContact CB-SD 4.49Å; R248-M250 HydrophobicContact CG-SD 3.94Å; M250-A348 HydrophobicContact CB-CB 4.44Å; M250-A348 HydrophobicContact CE-CB 4.06Å; M250-F350 HydrophobicContact CE-CB 4.09Å; M250-F350 HydrophobicContact CE-CD1 3.94Å; M250-F350 HydrophobicContact CE-CG 4.35Å; M250-A361 HydrophobicContact CE-CB 3.88Å; M250-A361 HydrophobicContact SD-CB 4.28Å
251	T	96.5	Very high	88.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.346	C	S	.	.			trans	-121.2	152.1	-177.9	61.7	0	0	0	0	110.9	D236 L237 R249 A267 Y305	D236-T251 WeakPolarHBondContact CB-O 3.48Å; D236-T251 WeakPolarHBondContact CB-OG1 3.41Å; D236-T251 WeakPolarHBondContact OD1-CB 3.23Å; D236-T251 PolarHBondContact OD1-OG1 3.44Å; L237-T251 HydrophobicContact CB-CG2 4.1Å; L237-T251 PolarHBondContact N-OG1 2.88Å; L237-T251 PolarHBondContact O-N 3.01Å; R249-T251 WeakPolarHBondContact CG-O 3.31Å; R249-T251 PolarHBondContact NE-O 3.48Å; T251-A267 HydrophobicContact CG2-CB 4Å; T251-A267 WeakPolarHBondContact OG1-CB 3.23Å; T251-Y305 HydrophobicContact CG2-CD1 4.45Å; T251-Y305 HydrophobicContact CG2-CD2 4.45Å; T251-Y305 HydrophobicContact CG2-CE1 3.78Å; T251-Y305 HydrophobicContact CG2-CE2 3.81Å; T251-Y305 VanDerWaalsContact CG2-CZ 3.41Å; T251-Y305 WeakPolarHBondContact CG2-OH 3.2Å
252	Y	94.7	Very high	87.6	Confident	161 Å²	161	68.1 Å²	68.1	63%	0.631	37%	0.368	S	S	*	.			trans	-130.4	32.5	-171.7	-66.8	-96.7	0	0	0	111.5	D236 R249	D236-Y252 PolarHBondContact OD1-N 3.36Å; R249-Y252 HydrophobicContact CB-CE1 4.41Å; R249-Y252 HydrophobicContact CG-CD1 4.42Å; R249-Y252 HydrophobicContact CG-CE1 4.09Å; R249-Y252 HydrophobicContact CG-CE2 4.27Å
253	C	90.4	Very high	87.3	Confident	21 Å²	21	67 Å²	67	14%	0.142	36%	0.363	C	S	.	.			trans	-77.5	-33.1	-170.5	-56.4	0	0	0	0	111.8	D236 K265 A267 E307	D236-C253 PolarHBondContact OD1-N 2.88Å; D236-C253 PolarHBondContact OD2-N 3.01Å; D236-C253 VanDerWaalsContact OD2-N 3.07Å; C253-K265 HydrophobicContact CB-CB 4.29Å; C253-K265 WeakPolarHBondContact O-CB 3.48Å; C253-A267 HydrophobicContact CB-CB 4.23Å; C253-E307 PolarHBondContact SG-OE2 2.74Å
254	H	87.3	Confident	87.3	Confident	15 Å²	15	62.2 Å²	62.2	7%	0.069	34%	0.342	C	S	.	.			trans	-101.4	124.2	177.7	-168.2	-109.6	0	0	0	110.3	N234 N235 D236 R249 G256 D263 K265	N234-H254 WeakPolarHBondContact O-CB 3.5Å; N234-H254 PolarHBondContact O-ND1 2.95Å; N235-H254 HydrophobicContact CB-CB 3.96Å; N235-H254 PolarHBondContact ND2-NE2 3.39Å; D236-H254 WeakPolarHBondContact OD2-CB 3.1Å; D236-H254 PolarHBondContact OD2-N 3.29Å; R249-H254 PolarHBondContact NH2-O 3.09Å; H254-G256 PolarHBondContact O-N 3.16Å; H254-D263 VanDerWaalsContact CD2-CG 3.48Å; H254-D263 PolarHBondContact CD2-O 3.17Å; H254-D263 IonicContact CD2-OD1 2.8Å; H254-D263 IonicContact CD2-OD2 2.98Å; H254-D263 IonicContact CE1-OD2 3.27Å; H254-D263 IonicContact CG-OD2 3.27Å; H254-D263 IonicContact ND1-OD2 2.72Å; H254-D263 IonicContact NE2-OD2 3.88Å; H254-K265 PolarHBondContact CD2-O 3.29Å
255	K	82.9	Confident	87.3	Confident	157 Å²	157	62 Å²	62	68%	0.683	34%	0.335	S	S	*	.			trans	-73.8	-11.3	-177.3	-61	156.7	-165.5	152.8	0	112.8	L257 D263	K255-L257 HydrophobicContact CB-CG 4.33Å; K255-D263 VanDerWaalsContact CA-OD2 3.31Å; K255-D263 WeakPolarHBondContact CA-OD2 3.35Å; K255-D263 WeakPolarHBondContact CB-OD2 3.19Å; K255-D263 PolarHBondContact N-OD1 3.28Å; K255-D263 PolarHBondContact N-OD2 3.44Å
256	G	75.1	Confident	87.4	Confident	48 Å²	48	59.5 Å²	59.5	50%	0.495	31%	0.308	S	S	.	.			trans	85.9	23.6	-179	0	0	0	0	0	112.9	H254 D263	H254-G256 PolarHBondContact O-N 3.16Å; G256-D263 PolarHBondContact N-OD2 3.4Å
257	L	75.4	Confident	87.5	Confident	82 Å²	82	57.8 Å²	57.8	43%	0.429	30%	0.3	S	S	.	.			trans	-77.7	146.1	169.4	-53.7	175	0	0	0	109.1	K255 N259 D262 D263	K255-L257 HydrophobicContact CB-CG 4.33Å; L257-N259 PolarHBondContact O-N 3.05Å; L257-D262 HydrophobicContact CD1-CB 3.74Å; L257-D263 HydrophobicContact CB-CB 4.03Å; L257-D263 HydrophobicContact CD1-CB 4.37Å; L257-D263 HydrophobicContact CG-CB 4.47Å; L257-D263 PolarHBondContact N-OD2 2.76Å
258	S	68.2	Low	87.6	Confident	134 Å²	134	56.7 Å²	56.7	94%	0.937	30%	0.295	S	S	*	.	S	Bend	trans	-82.8	7	177.7	55.6	0	0	0	0	113.9
259	N	74.3	Confident	87.6	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	29%	0.287	S	S	.	.			trans	-114.5	112.2	-174	-172.6	11.6	0	0	0	111.7	L257 L261 D262 D263	L257-N259 PolarHBondContact O-N 3.05Å; N259-L261 PolarHBondContact O-N 2.82Å; N259-L261 VanDerWaalsContact O-N 3.08Å; N259-L261 WeakPolarHBondContact OD1-CB 3.44Å; N259-L261 PolarHBondContact OD1-N 2.98Å; N259-D262 HydrophobicContact CB-CB 4.48Å; N259-D262 WeakPolarHBondContact CB-OD2 3.37Å; N259-D262 PolarHBondContact ND2-OD2 2.87Å; N259-D262 PolarHBondContact O-N 2.92Å; N259-D263 PolarHBondContact O-N 3.48Å
260	V	74.1	Confident	87.7	Confident	56 Å²	56	50.8 Å²	50.8	34%	0.339	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.7	179.9	-177.8	0	0	0	0	113.1	R332	V260-R332 HydrophobicContact CG1-CG 3.72Å; V260-R332 PolarHBondContact O-NE 3.15Å; V260-R332 PolarHBondContact O-NH2 2.91Å
261	L	77.9	Confident	87.7	Confident	96 Å²	96	50.8 Å²	50.8	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-42.3	169.5	-75.1	154.2	0	0	0	112.9	N259 I315	N259-L261 PolarHBondContact O-N 2.82Å; N259-L261 VanDerWaalsContact O-N 3.08Å; N259-L261 WeakPolarHBondContact OD1-CB 3.44Å; N259-L261 PolarHBondContact OD1-N 2.98Å; L261-I315 HydrophobicContact CD2-CD1 3.32Å; L261-I315 HydrophobicContact CG-CD1 3.82Å
262	D	82.4	Confident	87.8	Confident	93 Å²	93	51.9 Å²	51.9	50%	0.497	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-17.8	-166.7	-59.1	-43.6	0	0	0	113.4	L257 N259	L257-D262 HydrophobicContact CD1-CB 3.74Å; N259-D262 HydrophobicContact CB-CB 4.48Å; N259-D262 WeakPolarHBondContact CB-OD2 3.37Å; N259-D262 PolarHBondContact ND2-OD2 2.87Å; N259-D262 PolarHBondContact O-N 2.92Å
263	D	88.9	Confident	87.9	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.032	25%	0.253	C	S	.	.			trans	-134.9	61.3	-171.7	-141.5	0.6	0	0	0	111.8	H254 K255 G256 L257 N259 K265	H254-D263 VanDerWaalsContact CD2-CG 3.48Å; H254-D263 PolarHBondContact CD2-O 3.17Å; H254-D263 IonicContact CD2-OD1 2.8Å; H254-D263 IonicContact CD2-OD2 2.98Å; H254-D263 IonicContact CE1-OD2 3.27Å; H254-D263 IonicContact CG-OD2 3.27Å; H254-D263 IonicContact ND1-OD2 2.72Å; H254-D263 IonicContact NE2-OD2 3.88Å; K255-D263 VanDerWaalsContact CA-OD2 3.31Å; K255-D263 WeakPolarHBondContact CA-OD2 3.35Å; K255-D263 WeakPolarHBondContact CB-OD2 3.19Å; K255-D263 PolarHBondContact N-OD1 3.28Å; K255-D263 PolarHBondContact N-OD2 3.44Å; G256-D263 PolarHBondContact N-OD2 3.4Å; L257-D263 HydrophobicContact CB-CB 4.03Å; L257-D263 HydrophobicContact CD1-CB 4.37Å; L257-D263 HydrophobicContact CG-CB 4.47Å; L257-D263 PolarHBondContact N-OD2 2.76Å; N259-D263 PolarHBondContact O-N 3.48Å; D263-K265 PolarHBondContact O-N 3.31Å; D263-K265 VanDerWaalsContact O-N 3.15Å
264	P	93.6	Very high	88.3	Confident	22 Å²	22	43.7 Å²	43.7	14%	0.143	25%	0.248	C	C	.	.			trans	-84.1	16.7	-166.3	37.1	-39.9	0	0	0	114.7	E310 S311	P264-E310 PolarHBondContact O-N 3.07Å; P264-S311 WeakPolarHBondContact CG-OG 3.2Å
265	K	95.4	Very high	88.8	Confident	69 Å²	69	44.6 Å²	44.6	30%	0.3	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.7	-175.3	-72	-161	168.5	-143.6	0	111.9	C253 H254 D263 E307 V308 D309	C253-K265 HydrophobicContact CB-CB 4.29Å; C253-K265 WeakPolarHBondContact O-CB 3.48Å; H254-K265 PolarHBondContact CD2-O 3.29Å; D263-K265 PolarHBondContact O-N 3.31Å; D263-K265 VanDerWaalsContact O-N 3.15Å; K265-E307 IonicContact NZ-OE1 3.72Å; K265-V308 VanDerWaalsContact CA-O 3.29Å; K265-V308 WeakPolarHBondContact CA-O 3.4Å; K265-D309 WeakPolarHBondContact CE-OD2 3.39Å; K265-D309 HydrophobicContact CG-CB 4.18Å; K265-D309 IonicContact NZ-OD2 2.95Å
266	S	96.6	Very high	89.5	Confident	8 Å²	8	37.9 Å²	37.9	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.6	174.9	64.4	0	0	0	0	111.8	N235 E307 V308	N235-S266 CarbonylContact O-C 3.49Å; N235-S266 WeakPolarHBondContact O-CA 3.48Å; S266-E307 WeakPolarHBondContact O-CA 3.26Å; S266-V308 PolarHBondContact N-O 2.68Å; S266-V308 VanDerWaalsContact N-O 3.08Å; S266-V308 PolarHBondContact O-N 2.77Å
267	A	98	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.7	-178.7	0	0	0	0	0	110.5	N235 T251 C253 V269 Y305 E306	N235-A267 PolarHBondContact O-N 2.71Å; T251-A267 HydrophobicContact CG2-CB 4Å; T251-A267 WeakPolarHBondContact OG1-CB 3.23Å; C253-A267 HydrophobicContact CB-CB 4.23Å; A267-V269 VanDerWaalsContact C-N 3.28Å; A267-V269 PolarHBondContact O-N 3.3Å; A267-Y305 HydrophobicContact CB-CD2 3.89Å; A267-Y305 HydrophobicContact CB-CE2 3.54Å; A267-E306 WeakPolarHBondContact CA-O 3.33Å
268	G	97.8	Very high	91.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	80.6	5	-177.5	0	0	0	0	0	114.8	G283 E306	G268-G283 WeakPolarHBondContact CA-O 3.5Å; G268-G283 CarbonylContact O-C 3.56Å; G268-G283 VanDerWaalsContact O-CA 3.27Å; G268-G283 WeakPolarHBondContact O-CA 3.14Å; G268-G283 PolarHBondContact O-N 2.83Å; G268-E306 PolarHBondContact N-O 2.69Å
269	V	97.3	Very high	93.1	Very high	28 Å²	28	28.3 Å²	28.3	17%	0.17	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-103.8	144.2	-176.8	-178	0	0	0	0	110.2	I232 A267	I232-V269 HydrophobicContact CG1-CG2 4.35Å; I232-V269 HydrophobicContact CG2-CG2 3.73Å; A267-V269 VanDerWaalsContact C-N 3.28Å; A267-V269 PolarHBondContact O-N 3.3Å
270	A	97.8	Very high	94.2	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.025	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-93.5	132.7	166.5	0	0	0	0	0	110.3	I274 Q275 R280	A270-I274 HydrophobicContact CB-CB 4.29Å; A270-I274 HydrophobicContact CB-CG2 3.94Å; A270-Q275 HydrophobicContact CB-CG 3.83Å; A270-Q275 PolarHBondContact O-NE2 2.81Å; A270-R280 WeakPolarHBondContact CB-O 3.3Å
271	T	97.5	Very high	95.3	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.074	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-73	171.3	-179.9	57.9	0	0	0	0	112.9	V273 I274 Q275 V308 E310 P341	T271-V273 PolarHBondContact O-N 3.46Å; T271-I274 PolarHBondContact O-N 2.93Å; T271-I274 VanDerWaalsContact O-N 3.09Å; T271-I274 WeakPolarHBondContact OG1-CG1 3.43Å; T271-Q275 WeakPolarHBondContact O-CG 3.14Å; T271-Q275 PolarHBondContact O-N 2.73Å; T271-V308 HydrophobicContact CG2-CB 4.42Å; T271-V308 HydrophobicContact CG2-CG1 3.54Å; T271-V308 HydrophobicContact CG2-CG2 4.23Å; T271-E310 HydrophobicContact CG2-CG 4.3Å; T271-E310 VanDerWaalsContact CG2-OE1 3.32Å; T271-E310 WeakPolarHBondContact CG2-OE1 3.5Å; T271-P341 HydrophobicContact CG2-CB 4.42Å; T271-P341 HydrophobicContact CG2-CG 3.93Å
272	F	97.4	Very high	96.3	Very high	24 Å²	24	22.4 Å²	22.4	11%	0.105	12%	0.115	C	C	.	.	H	α-helix	trans	-47.4	-56.3	-176.2	174.8	-93.2	0	0	0	113.3	I274 Q275 E276 Y333	F272-I274 VanDerWaalsContact C-N 3.34Å; F272-I274 PolarHBondContact O-N 2.95Å; F272-Q275 PolarHBondContact O-N 3.04Å; F272-E276 HydrophobicContact CZ-CB 4.46Å; F272-E276 HydrophobicContact CZ-CG 4.46Å; F272-E276 PolarHBondContact O-N 2.81Å; F272-Y333 AromaticContact CD1-CD2 3.96Å; F272-Y333 HydrophobicContact CD1-CD2 3.96Å; F272-Y333 HydrophobicContact CD1-CE2 4.14Å; F272-Y333 AromaticContact CE1-CD2 3.65Å; F272-Y333 HydrophobicContact CE1-CD2 3.65Å; F272-Y333 AromaticContact CE1-CE2 3.39Å; F272-Y333 HydrophobicContact CE1-CE2 3.39Å; F272-Y333 HydrophobicContact CZ-CD2 4.06Å; F272-Y333 AromaticContact CZ-CE2 3.73Å; F272-Y333 HydrophobicContact CZ-CE2 3.73Å
273	V	98.4	Very high	97	Very high	3 Å²	3	18 Å²	18	2%	0.018	9%	0.091	C	C	.	.	H	α-helix	trans	-63.1	-39.6	-179.4	173.5	0	0	0	0	111.5	T271 Q275 E276 E277 F278 P334 Y379 D792	T271-V273 PolarHBondContact O-N 3.46Å; V273-Q275 VanDerWaalsContact C-N 3.28Å; V273-Q275 PolarHBondContact O-N 3.45Å; V273-E276 PolarHBondContact O-N 3.49Å; V273-E277 HydrophobicContact CG1-CB 4.08Å; V273-E277 HydrophobicContact CG1-CG 4.34Å; V273-E277 WeakPolarHBondContact O-CA 3.43Å; V273-E277 WeakPolarHBondContact O-CB 3.45Å; V273-E277 PolarHBondContact O-N 2.86Å; V273-F278 HydrophobicContact CG1-CD2 4.22Å; V273-F278 HydrophobicContact CG1-CE2 3.9Å; V273-P334 HydrophobicContact CG2-CG 3.53Å; V273-Y379 HydrophobicContact CG1-CE1 4.26Å; V273-D792 HydrophobicContact CG2-CB 4.1Å
274	I	98.6	Very high	97.5	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.036	9%	0.09	C	C	.	.	H	α-helix	trans	-67.9	-30	-179.5	-58.4	-64	0	0	0	111.9	A270 T271 F272 F278 R280 Y379	A270-I274 HydrophobicContact CB-CB 4.29Å; A270-I274 HydrophobicContact CB-CG2 3.94Å; T271-I274 PolarHBondContact O-N 2.93Å; T271-I274 VanDerWaalsContact O-N 3.09Å; T271-I274 WeakPolarHBondContact OG1-CG1 3.43Å; F272-I274 VanDerWaalsContact C-N 3.34Å; F272-I274 PolarHBondContact O-N 2.95Å; I274-F278 HydrophobicContact CD1-CD2 3.88Å; I274-F278 HydrophobicContact CD1-CE2 4.21Å; I274-R280 HydrophobicContact CG2-CB 3.79Å; I274-R280 HydrophobicContact CG2-CG 4.36Å; I274-R280 PolarHBondContact O-N 2.91Å; I274-R280 VanDerWaalsContact O-N 3.09Å; I274-Y379 HydrophobicContact CD1-CD1 3.9Å
275	Q	98.1	Very high	97.7	Very high	34 Å²	34	18.3 Å²	18.3	16%	0.159	9%	0.09	C	C	.	.	H	α-helix	trans	-79.1	-40.5	172.3	-63.8	-166.3	43.1	0	0	113.4	R159 A270 T271 F272 V273 F281	R159-Q275 HydrophobicContact CB-CB 3.93Å; R159-Q275 HydrophobicContact CG-CB 3.74Å; A270-Q275 HydrophobicContact CB-CG 3.83Å; A270-Q275 PolarHBondContact O-NE2 2.81Å; T271-Q275 WeakPolarHBondContact O-CG 3.14Å; T271-Q275 PolarHBondContact O-N 2.73Å; F272-Q275 PolarHBondContact O-N 3.04Å; V273-Q275 VanDerWaalsContact C-N 3.28Å; V273-Q275 PolarHBondContact O-N 3.45Å; Q275-F281 HydrophobicContact CB-CD1 4.11Å; Q275-F281 HydrophobicContact CB-CE1 4.42Å; Q275-F281 HydrophobicContact CG-CD1 4.37Å; Q275-F281 WeakPolarHBondContact O-CE1 3.3Å
276	E	97.7	Very high	97.9	Very high	15 Å²	15	16 Å²	16	7%	0.07	8%	0.079	C	C	.	.	H	α-helix	trans	-84	-39.9	-174.3	-165.5	73	144.9	0	0	113.2	R159 R161 F272 V273 N839	R159-E276 WeakPolarHBondContact CD-OE2 3.41Å; R159-E276 IonicContact CZ-OE1 3.72Å; R159-E276 IonicContact CZ-OE2 3.79Å; R159-E276 IonicContact NE-OE1 3.78Å; R159-E276 PolarHBondContact NE-OE1 3.29Å; R159-E276 IonicContact NE-OE2 3.61Å; R159-E276 PolarHBondContact NE-OE2 2.95Å; R159-E276 IonicContact NH2-OE1 2.71Å; R159-E276 PolarHBondContact NH2-OE1 2.85Å; R159-E276 IonicContact NH2-OE2 3.58Å; R161-E276 IonicContact CZ-OE1 3.66Å; R161-E276 IonicContact CZ-OE2 3.76Å; R161-E276 VanDerWaalsContact NH1-CD 3.27Å; R161-E276 IonicContact NH1-OE1 3.18Å; R161-E276 PolarHBondContact NH1-OE1 2.96Å; R161-E276 IonicContact NH1-OE2 2.79Å; R161-E276 PolarHBondContact NH1-OE2 2.68Å; R161-E276 IonicContact NH2-OE1 3.35Å; R161-E276 PolarHBondContact NH2-OE1 2.92Å; R161-E276 IonicContact NH2-OE2 3.79Å; R161-E276 PolarHBondContact NH2-OE2 2.92Å; F272-E276 HydrophobicContact CZ-CB 4.46Å; F272-E276 HydrophobicContact CZ-CG 4.46Å; F272-E276 PolarHBondContact O-N 2.81Å; V273-E276 PolarHBondContact O-N 3.49Å; E276-N839 PolarHBondContact OE1-ND2 2.87Å
277	E	97.9	Very high	98	Very high	11 Å²	11	15.7 Å²	15.7	5%	0.051	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-6	-165.9	-66.5	-55.3	137.6	0	0	115.5	V273 D792 Y795 R798	V273-E277 HydrophobicContact CG1-CB 4.08Å; V273-E277 HydrophobicContact CG1-CG 4.34Å; V273-E277 WeakPolarHBondContact O-CA 3.43Å; V273-E277 WeakPolarHBondContact O-CB 3.45Å; V273-E277 PolarHBondContact O-N 2.86Å; E277-D792 WeakPolarHBondContact CG-OD1 3.47Å; E277-Y795 WeakPolarHBondContact OE2-CB 3.48Å; E277-Y795 VanDerWaalsContact OE2-CD2 3.25Å; E277-Y795 WeakPolarHBondContact OE2-CD2 3.29Å; E277-R798 PolarHBondContact O-NH1 3.02Å; E277-R798 IonicContact OE2-CZ 3.29Å; E277-R798 IonicContact OE2-NH2 3.58Å; E277-R798 PolarHBondContact OE2-NH2 3.13Å
278	F	97.9	Very high	98	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.018	9%	0.089	C	C	.	.	S	Bend	trans	-130.5	3	-179.5	-65.1	-77.5	0	0	0	113.4	V273 I274 R280 Y379 R382 L397 Q401 V451	V273-F278 HydrophobicContact CG1-CD2 4.22Å; V273-F278 HydrophobicContact CG1-CE2 3.9Å; I274-F278 HydrophobicContact CD1-CD2 3.88Å; I274-F278 HydrophobicContact CD1-CE2 4.21Å; F278-R280 PolarHBondContact O-N 3.25Å; F278-R280 VanDerWaalsContact O-N 3.13Å; F278-Y379 AromaticContact CE2-CD1 3.85Å; F278-Y379 HydrophobicContact CE2-CD1 3.85Å; F278-Y379 HydrophobicContact CE2-CD2 4.4Å; F278-Y379 HydrophobicContact CE2-CE1 4.06Å; F278-Y379 HydrophobicContact CE2-CG 4.01Å; F278-Y379 HydrophobicContact CZ-CD1 4.18Å; F278-Y379 AromaticContact CZ-CD2 3.9Å; F278-Y379 HydrophobicContact CZ-CD2 3.9Å; F278-Y379 HydrophobicContact CZ-CE1 4.44Å; F278-Y379 HydrophobicContact CZ-CE2 4.19Å; F278-Y379 AromaticContact CZ-CG 3.89Å; F278-Y379 HydrophobicContact CZ-CG 3.89Å; F278-R382 PolarHBondContact O-NH1 3.42Å; F278-R382 PolarHBondContact O-NH2 2.64Å; F278-L397 HydrophobicContact CD1-CD1 4.4Å; F278-L397 HydrophobicContact CE1-CD1 3.62Å; F278-L397 HydrophobicContact CZ-CD1 4.37Å; F278-Q401 VanDerWaalsContact CE1-OE1 3.24Å; F278-Q401 HydrophobicContact CZ-CG 4.33Å; F278-Q401 VanDerWaalsContact CZ-OE1 3.24Å; F278-V451 HydrophobicContact CD1-CB 4.28Å; F278-V451 HydrophobicContact CD1-CG2 3.82Å; F278-V451 HydrophobicContact CE1-CG2 4.06Å
279	D	97.3	Very high	97.9	Very high	48 Å²	48	20.1 Å²	20.1	26%	0.257	10%	0.104	S	C	.	.			trans	56.1	21.7	-177.6	-71.3	-58.3	0	0	0	114.2	F281 R528 H529	D279-F281 HydrophobicContact CB-CE2 4.28Å; D279-F281 HydrophobicContact CB-CZ 4.36Å; D279-F281 VanDerWaalsContact O-CD2 3.31Å; D279-F281 WeakPolarHBondContact O-CD2 3.41Å; D279-F281 WeakPolarHBondContact O-CE2 3.43Å; D279-R528 IonicContact OD2-NH2 3.9Å; D279-R528 PolarHBondContact OD2-NH2 2.96Å; D279-H529 IonicContact OD2-CE1 2.88Å; D279-H529 PolarHBondContact OD2-CE1 3.35Å; D279-H529 IonicContact OD2-ND1 3.47Å; D279-H529 PolarHBondContact OD2-ND1 2.82Å
280	R	97.8	Very high	97.7	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.038	11%	0.111	C	C	.	.			trans	-104.8	89.7	-174.8	-165.7	-159.3	82	169.4	2.9	112.1	A270 I274 F278 T282 E306 I380 A381	A270-R280 WeakPolarHBondContact CB-O 3.3Å; I274-R280 HydrophobicContact CG2-CB 3.79Å; I274-R280 HydrophobicContact CG2-CG 4.36Å; I274-R280 PolarHBondContact O-N 2.91Å; I274-R280 VanDerWaalsContact O-N 3.09Å; F278-R280 PolarHBondContact O-N 3.25Å; F278-R280 VanDerWaalsContact O-N 3.13Å; R280-T282 VanDerWaalsContact C-N 3.28Å; R280-T282 PolarHBondContact NE-O 2.96Å; R280-T282 PolarHBondContact O-N 3.3Å; R280-T282 VanDerWaalsContact O-N 3.16Å; R280-E306 IonicContact CZ-OE1 2.64Å; R280-E306 IonicContact CZ-OE2 3.66Å; R280-E306 VanDerWaalsContact CZ-OE2 3.27Å; R280-E306 IonicContact NH1-OE1 3.89Å; R280-E306 IonicContact NH1-OE2 3.84Å; R280-E306 PolarHBondContact NH1-OE2 2.67Å; R280-E306 IonicContact NH2-OE1 2.61Å; R280-E306 PolarHBondContact NH2-OE1 2.89Å; R280-E306 IonicContact NH2-OE2 3.62Å; R280-E306 PolarHBondContact NH2-OE2 2.89Å; R280-I380 PolarHBondContact NH1-O 3.42Å; R280-A381 WeakPolarHBondContact CD-O 3.31Å
281	F	97.1	Very high	97.3	Very high	47 Å²	47	21.2 Å²	21.2	21%	0.206	12%	0.116	C	C	.	.			trans	-84.7	23.6	-172.9	-46.9	-75.4	0	0	0	116.2	L156 R159 K160 Q275 D279	L156-F281 HydrophobicContact CD1-CB 4.15Å; L156-F281 HydrophobicContact CD1-CD1 4.35Å; R159-F281 HydrophobicContact CB-CD1 4.15Å; R159-F281 HydrophobicContact CB-CE1 3.85Å; K160-F281 HydrophobicContact CB-CE1 4.37Å; K160-F281 HydrophobicContact CB-CZ 4.46Å; K160-F281 HydrophobicContact CD-CB 4.46Å; K160-F281 HydrophobicContact CD-CD1 4.41Å; K160-F281 HydrophobicContact CD-CD2 4.31Å; K160-F281 HydrophobicContact CD-CG 4.12Å; K160-F281 HydrophobicContact CG-CB 4.39Å; K160-F281 HydrophobicContact CG-CD1 3.48Å; K160-F281 VanDerWaalsContact CG-CD1 3.48Å; K160-F281 HydrophobicContact CG-CD2 3.82Å; K160-F281 HydrophobicContact CG-CE1 3.61Å; K160-F281 HydrophobicContact CG-CE2 3.94Å; K160-F281 HydrophobicContact CG-CG 3.6Å; K160-F281 HydrophobicContact CG-CZ 3.84Å; Q275-F281 HydrophobicContact CB-CD1 4.11Å; Q275-F281 HydrophobicContact CB-CE1 4.42Å; Q275-F281 HydrophobicContact CG-CD1 4.37Å; Q275-F281 WeakPolarHBondContact O-CE1 3.3Å; D279-F281 HydrophobicContact CB-CE2 4.28Å; D279-F281 HydrophobicContact CB-CZ 4.36Å; D279-F281 VanDerWaalsContact O-CD2 3.31Å; D279-F281 WeakPolarHBondContact O-CD2 3.41Å; D279-F281 WeakPolarHBondContact O-CE2 3.43Å
282	T	98.3	Very high	96.5	Very high	25 Å²	25	25.2 Å²	25.2	15%	0.153	14%	0.14	C	C	.	.			trans	-156.4	152.8	179.1	-174.2	0	0	0	0	111.5	D218 K220 R280 Y284	D218-T282 WeakPolarHBondContact OD2-CB 3.19Å; D218-T282 PolarHBondContact OD2-OG1 2.92Å; K220-T282 PolarHBondContact NZ-OG1 3.1Å; R280-T282 VanDerWaalsContact C-N 3.28Å; R280-T282 PolarHBondContact NE-O 2.96Å; R280-T282 PolarHBondContact O-N 3.3Å; R280-T282 VanDerWaalsContact O-N 3.16Å; T282-Y284 PolarHBondContact OG1-N 2.8Å
283	G	98.4	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-118.7	18.2	172.7	0	0	0	0	0	114	G268 W285 Y305 E306	G268-G283 WeakPolarHBondContact CA-O 3.5Å; G268-G283 CarbonylContact O-C 3.56Å; G268-G283 VanDerWaalsContact O-CA 3.27Å; G268-G283 WeakPolarHBondContact O-CA 3.14Å; G268-G283 PolarHBondContact O-N 2.83Å; G283-W285 VanDerWaalsContact C-CZ3 3.41Å; G283-W285 VanDerWaalsContact O-CZ3 3.23Å; G283-W285 WeakPolarHBondContact O-CZ3 3.33Å; G283-Y305 CarbonylContact O-C 3.59Å; G283-Y305 VanDerWaalsContact O-CA 3.31Å; G283-Y305 WeakPolarHBondContact O-CA 3.26Å; G283-E306 PolarHBondContact O-N 2.76Å
284	Y	98.8	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.1	178.4	85.3	-92.7	0	0	0	115	D218 K220 S230 I232 L237 T282 I303 L304	D218-Y284 HydrophobicContact CB-CE1 4.32Å; D218-Y284 PolarHBondContact O-OH 3.38Å; D218-Y284 WeakPolarHBondContact OD2-CE1 3.15Å; K220-Y284 HydrophobicContact CB-CE2 4.42Å; K220-Y284 HydrophobicContact CD-CE1 4.47Å; K220-Y284 HydrophobicContact CD-CE2 3.76Å; K220-Y284 HydrophobicContact CG-CE2 4.42Å; K220-Y284 WeakPolarHBondContact CG-OH 3.43Å; K220-Y284 VanDerWaalsContact NZ-CE1 3.32Å; K220-Y284 PolarHBondContact NZ-O 2.79Å; S230-Y284 PolarHBondContact O-OH 2.79Å; S230-Y284 WeakPolarHBondContact OG-CE2 3.42Å; S230-Y284 VanDerWaalsContact OG-CZ 3.25Å; S230-Y284 PolarHBondContact OG-OH 2.95Å; I232-Y284 HydrophobicContact CD1-CD1 3.84Å; I232-Y284 HydrophobicContact CD1-CE1 4.03Å; I232-Y284 HydrophobicContact CG1-CD1 4.32Å; I232-Y284 HydrophobicContact CG1-CE1 4.18Å; L237-Y284 HydrophobicContact CD1-CD1 4.13Å; L237-Y284 HydrophobicContact CD1-CD2 4.03Å; L237-Y284 HydrophobicContact CD1-CE1 4.34Å; L237-Y284 HydrophobicContact CD1-CE2 4.26Å; L237-Y284 HydrophobicContact CD1-CG 3.95Å; T282-Y284 PolarHBondContact OG1-N 2.8Å; Y284-I303 HydrophobicContact CD2-CG2 3.69Å; Y284-I303 HydrophobicContact CG-CG2 4.31Å; Y284-L304 CarbonylContact C-O 3.43Å; Y284-L304 WeakPolarHBondContact CA-O 3.43Å
285	W	98.8	Very high	91.3	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	118.1	-171.9	-51	-90.2	0	0	0	112	G283 I303 L304 L345 A383 W385	G283-W285 VanDerWaalsContact C-CZ3 3.41Å; G283-W285 VanDerWaalsContact O-CZ3 3.23Å; G283-W285 WeakPolarHBondContact O-CZ3 3.33Å; W285-I303 WeakPolarHBondContact O-CA 3.4Å; W285-L304 HydrophobicContact CE3-CB 4.31Å; W285-L304 HydrophobicContact CE3-CD2 3.76Å; W285-L304 HydrophobicContact CE3-CG 4.03Å; W285-L304 HydrophobicContact CZ3-CD2 4.31Å; W285-L304 PolarHBondContact N-O 2.89Å; W285-L304 PolarHBondContact O-N 3.07Å; W285-L345 HydrophobicContact CZ3-CD2 4.23Å; W285-A383 VanDerWaalsContact CD1-O 3.29Å; W285-A383 HydrophobicContact CD2-CB 3.95Å; W285-A383 HydrophobicContact CE3-CB 3.9Å; W285-A383 HydrophobicContact CH2-CB 3.76Å; W285-A383 HydrophobicContact CZ2-CB 3.81Å; W285-A383 HydrophobicContact CZ3-CB 3.8Å; W285-A383 PolarHBondContact NE1-O 2.88Å; W285-A383 VanDerWaalsContact NE1-O 3.11Å; W285-W385 PolarHBondContact O-NE1 2.87Å
286	W	98.8	Very high	89.6	Confident	19 Å²	19	44.1 Å²	44.1	7%	0.072	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	138.4	171.4	-79	107.9	0	0	0	111.8	K220 C222 P223 F228 S230 V239 L301 I303 F350 W385	K220-W286 PolarHBondContact O-NE1 2.95Å; C222-W286 HydrophobicContact CB-CD2 3.79Å; C222-W286 HydrophobicContact CB-CE3 3.85Å; C222-W286 HydrophobicContact CB-CG 4.5Å; C222-W286 HydrophobicContact CB-CH2 3.81Å; C222-W286 HydrophobicContact CB-CZ2 3.74Å; C222-W286 HydrophobicContact CB-CZ3 3.85Å; C222-W286 VanDerWaalsContact SG-CZ3 3.52Å; P223-W286 VanDerWaalsContact CD-CB 3.49Å; P223-W286 HydrophobicContact CG-CB 4.28Å; F228-W286 HydrophobicContact CB-CH2 4.43Å; S230-W286 PolarHBondContact OG-NE1 3.47Å; V239-W286 HydrophobicContact CG1-CH2 4.09Å; V239-W286 HydrophobicContact CG2-CH2 3.88Å; V239-W286 HydrophobicContact CG2-CZ2 4.13Å; W286-L301 HydrophobicContact CZ3-CB 4.31Å; W286-I303 HydrophobicContact CD2-CD1 4.09Å; W286-I303 HydrophobicContact CD2-CG1 3.75Å; W286-I303 HydrophobicContact CE3-CD1 4.01Å; W286-I303 HydrophobicContact CE3-CG1 3.46Å; W286-I303 VanDerWaalsContact CE3-CG1 3.46Å; W286-I303 HydrophobicContact CG-CG1 4.43Å; W286-I303 HydrophobicContact CH2-CD1 3.75Å; W286-I303 HydrophobicContact CH2-CG1 4.12Å; W286-I303 HydrophobicContact CZ2-CD1 3.82Å; W286-I303 HydrophobicContact CZ2-CG1 4.36Å; W286-I303 HydrophobicContact CZ3-CD1 3.84Å; W286-I303 HydrophobicContact CZ3-CG1 3.67Å; W286-F350 AromaticContact CH2-CE1 3.78Å; W286-F350 HydrophobicContact CH2-CE1 3.78Å; W286-F350 AromaticContact CH2-CZ 3.7Å; W286-F350 HydrophobicContact CH2-CZ 3.7Å; W286-F350 AromaticContact CZ3-CE1 3.66Å; W286-F350 HydrophobicContact CZ3-CE1 3.66Å; W286-F350 AromaticContact CZ3-CZ 3.8Å; W286-F350 HydrophobicContact CZ3-CZ 3.8Å; W286-W385 PolarHBondContact O-NE1 2.9Å
287	C	98.4	Very high	88.7	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.02	28%	0.283	C	S	.	.			trans	-64.4	132.4	161.7	-179.6	0	0	0	0	109.4	T289 R302 W385	C287-T289 VanDerWaalsContact C-N 3.26Å; C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-O 2.91Å; C287-R302 HydrophobicContact CB-CB 3.8Å; C287-R302 WeakPolarHBondContact CB-O 3.33Å; C287-R302 PolarHBondContact N-O 2.81Å; C287-W385 HydrophobicContact CB-CD2 3.99Å; C287-W385 HydrophobicContact CB-CE3 4.22Å; C287-W385 HydrophobicContact CB-CH2 4.17Å; C287-W385 HydrophobicContact CB-CZ2 3.92Å; C287-W385 HydrophobicContact CB-CZ3 4.3Å
288	P	97.2	Very high	88.2	Confident	39 Å²	39	50.7 Å²	50.7	25%	0.253	29%	0.291	S	S	.	.	S	Bend	trans	-75.3	-15.7	-176.2	29.5	-35.1	0	0	0	113.4	W385 T386	P288-W385 VanDerWaalsContact CD-CB 3.49Å; P288-W385 HydrophobicContact CG-CB 4.2Å; P288-T386 VanDerWaalsContact CG-O 3.3Å; P288-T386 WeakPolarHBondContact CG-O 3.09Å
289	T	96.3	Very high	88	Confident	54 Å²	54	53.1 Å²	53.1	33%	0.331	30%	0.302	S	S	.	.	S	Bend	trans	-119.7	167.2	179	58.3	0	0	0	0	111.3	C287 D388	C287-T289 VanDerWaalsContact C-N 3.26Å; C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-O 2.91Å; T289-D388 WeakPolarHBondContact CB-O 3.31Å; T289-D388 WeakPolarHBondContact CG2-O 3.27Å; T289-D388 PolarHBondContact OG1-O 2.55Å
290	A	94.2	Very high	87.9	Confident	38 Å²	38	51 Å²	51	31%	0.314	29%	0.29	S	S	.	.			trans	-124.8	144.1	175.9	0	0	0	0	0	110.1	A224 K299 T300 L301	A224-A290 HydrophobicContact CB-CB 4.07Å; A290-K299 HydrophobicContact CB-CD 4.18Å; A290-K299 HydrophobicContact CB-CG 3.73Å; A290-T300 WeakPolarHBondContact CA-O 3.31Å; A290-T300 WeakPolarHBondContact CB-O 3.48Å; A290-L301 HydrophobicContact CB-CD2 3.69Å
291	S	88.8	Confident	87.9	Confident	17 Å²	17	50.6 Å²	50.6	12%	0.119	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-98.6	140.1	174.7	163.8	0	0	0	0	111.1	E293 T300	S291-E293 WeakPolarHBondContact OG-CB 3.21Å; S291-E293 VanDerWaalsContact OG-CD 3.3Å; S291-E293 VanDerWaalsContact OG-CG 3.24Å; S291-E293 WeakPolarHBondContact OG-CG 3.39Å; S291-E293 PolarHBondContact OG-N 3.4Å; S291-E293 VanDerWaalsContact OG-N 3.11Å; S291-E293 PolarHBondContact OG-OE2 3.04Å; S291-T300 PolarHBondContact N-O 2.93Å; S291-T300 VanDerWaalsContact N-O 3.08Å; S291-T300 WeakPolarHBondContact O-CA 3.18Å; S291-T300 VanDerWaalsContact O-CB 3.23Å; S291-T300 WeakPolarHBondContact O-CB 3.18Å; S291-T300 PolarHBondContact O-N 3.18Å; S291-T300 PolarHBondContact O-OG1 2.94Å
292	T	80.6	Confident	87.9	Confident	96 Å²	96	50.5 Å²	50.5	59%	0.589	29%	0.287	S	S	*	.			trans	-103.9	21.8	173.1	54.9	0	0	0	0	112.4	G294	T292-G294 PolarHBondContact O-N 3.42Å
293	E	65.4	Low	87.9	Confident	138 Å²	138	49.3 Å²	49.3	65%	0.645	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	126.8	-176.7	-67.3	163.4	122.8	0	0	112.4	S291 K351	S291-E293 WeakPolarHBondContact OG-CB 3.21Å; S291-E293 VanDerWaalsContact OG-CD 3.3Å; S291-E293 VanDerWaalsContact OG-CG 3.24Å; S291-E293 WeakPolarHBondContact OG-CG 3.39Å; S291-E293 PolarHBondContact OG-N 3.4Å; S291-E293 VanDerWaalsContact OG-N 3.11Å; S291-E293 PolarHBondContact OG-OE2 3.04Å; E293-K351 PolarHBondContact O-NZ 3.06Å
294	G	59.9	Low	88	Confident	80 Å²	80	49.3 Å²	49.3	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.5	-28.8	174	0	0	0	0	0	114.6	T292	T292-G294 PolarHBondContact O-N 3.42Å
295	S	59.6	Low	88	Confident	49 Å²	49	49.3 Å²	49.3	34%	0.343	28%	0.28	S	S	.	.			trans	-173.5	140.9	176.3	56.1	0	0	0	0	110.3	D297 L298	S295-D297 PolarHBondContact O-N 3.02Å; S295-D297 VanDerWaalsContact O-N 3.1Å; S295-L298 PolarHBondContact O-N 2.93Å; S295-L298 WeakPolarHBondContact OG-CB 3.48Å; S295-L298 WeakPolarHBondContact OG-CD1 3.2Å; S295-L298 WeakPolarHBondContact OG-CG 3.34Å
296	E	61.8	Low	88	Confident	198 Å²	198	47.6 Å²	47.6	93%	0.925	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	-178.8	-61.2	-173.5	153.2	0	0	114.3
297	D	78.7	Confident	88	Confident	120 Å²	120	48 Å²	48	64%	0.642	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	-177.9	-72.3	-58.4	0	0	0	115.8	S295	S295-D297 PolarHBondContact O-N 3.02Å; S295-D297 VanDerWaalsContact O-N 3.1Å
298	L	88.4	Confident	87.9	Confident	43 Å²	43	48 Å²	48	23%	0.225	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.5	-174.8	-66.4	-178.2	0	0	0	113.5	S295 K351 T352 D353 V359	S295-L298 PolarHBondContact O-N 2.93Å; S295-L298 WeakPolarHBondContact OG-CB 3.48Å; S295-L298 WeakPolarHBondContact OG-CD1 3.2Å; S295-L298 WeakPolarHBondContact OG-CG 3.34Å; L298-K351 HydrophobicContact CD1-CD 4.47Å; L298-T352 WeakPolarHBondContact CA-O 3.49Å; L298-D353 HydrophobicContact CD2-CB 4.39Å; L298-V359 HydrophobicContact CD2-CB 4.49Å; L298-V359 HydrophobicContact CD2-CG2 3.96Å
299	K	92.6	Very high	87.9	Confident	56 Å²	56	47.5 Å²	47.5	24%	0.243	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.3	174.2	-177.8	177.9	-178	177	0	110	A224 D225 A290 K351 T352	A224-K299 PolarHBondContact O-NZ 2.89Å; D225-K299 IonicContact OD2-NZ 3.33Å; D225-K299 PolarHBondContact OD2-NZ 3.49Å; A290-K299 HydrophobicContact CB-CD 4.18Å; A290-K299 HydrophobicContact CB-CG 3.73Å; K299-K351 CarbonylContact O-C 3.48Å; K299-K351 VanDerWaalsContact O-CA 3.29Å; K299-K351 WeakPolarHBondContact O-CA 3.32Å; K299-T352 PolarHBondContact N-O 3.11Å; K299-T352 PolarHBondContact O-N 3.04Å; K299-T352 PolarHBondContact O-OG1 2.94Å
300	T	95.3	Very high	88	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.5	-178.8	-50.1	0	0	0	0	109.8	A290 S291 E349 F350 K351	A290-T300 WeakPolarHBondContact CA-O 3.31Å; A290-T300 WeakPolarHBondContact CB-O 3.48Å; S291-T300 PolarHBondContact N-O 2.93Å; S291-T300 VanDerWaalsContact N-O 3.08Å; S291-T300 WeakPolarHBondContact O-CA 3.18Å; S291-T300 VanDerWaalsContact O-CB 3.23Å; S291-T300 WeakPolarHBondContact O-CB 3.18Å; S291-T300 PolarHBondContact O-N 3.18Å; S291-T300 PolarHBondContact O-OG1 2.94Å; T300-E349 HydrophobicContact CG2-CG 3.48Å; T300-E349 VanDerWaalsContact CG2-CG 3.48Å; T300-F350 WeakPolarHBondContact CA-O 3.42Å; T300-K351 HydrophobicContact CG2-CG 4.14Å; T300-K351 WeakPolarHBondContact OG1-CE 3.29Å
301	L	97.6	Very high	88.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.9	179.8	-69.4	174.6	0	0	0	110.4	A224 D225 F228 W286 A290 E349 F350 T352	A224-L301 HydrophobicContact CB-CD2 3.84Å; D225-L301 HydrophobicContact CB-CD1 4.21Å; F228-L301 HydrophobicContact CD2-CD1 4.01Å; F228-L301 HydrophobicContact CE2-CD1 4.38Å; F228-L301 HydrophobicContact CG-CD1 4.34Å; W286-L301 HydrophobicContact CZ3-CB 4.31Å; A290-L301 HydrophobicContact CB-CD2 3.69Å; L301-E349 WeakPolarHBondContact O-CA 3.49Å; L301-F350 HydrophobicContact CB-CD1 4.17Å; L301-F350 HydrophobicContact CB-CD2 4.43Å; L301-F350 HydrophobicContact CB-CE1 3.64Å; L301-F350 HydrophobicContact CB-CE2 3.94Å; L301-F350 HydrophobicContact CB-CZ 3.5Å; L301-F350 VanDerWaalsContact CB-CZ 3.5Å; L301-F350 HydrophobicContact CD1-CE2 3.71Å; L301-F350 HydrophobicContact CD1-CZ 3.58Å; L301-F350 HydrophobicContact CG-CE2 4.39Å; L301-F350 HydrophobicContact CG-CZ 4.17Å; L301-F350 PolarHBondContact N-O 2.91Å; L301-F350 PolarHBondContact O-N 2.78Å; L301-T352 HydrophobicContact CD1-CG2 4.47Å
302	R	98.4	Very high	88.5	Confident	45 Å²	45	50.9 Å²	50.9	17%	0.17	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.7	-171.7	-68.1	175.4	-177.2	133.6	4.1	112.3	C287 L347 A348 E349 W385	C287-R302 HydrophobicContact CB-CB 3.8Å; C287-R302 WeakPolarHBondContact CB-O 3.33Å; C287-R302 PolarHBondContact N-O 2.81Å; R302-L347 HydrophobicContact CB-CD1 4.21Å; R302-A348 CarbonylContact C-O 3.58Å; R302-A348 WeakPolarHBondContact CA-O 3.4Å; R302-E349 HydrophobicContact CG-CB 4.34Å; R302-E349 HydrophobicContact CG-CG 3.99Å; R302-E349 IonicContact CZ-OE2 2.65Å; R302-E349 IonicContact NE-OE2 3.97Å; R302-E349 PolarHBondContact NE-OE2 2.95Å; R302-E349 IonicContact NH2-OE2 2.65Å; R302-E349 PolarHBondContact NH2-OE2 2.87Å; R302-W385 HydrophobicContact CB-CH2 4.45Å; R302-W385 HydrophobicContact CB-CZ2 4.44Å
303	I	98.8	Very high	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.1	171.3	-58.3	171.9	0	0	0	108.2	L237 V239 Y284 W285 W286 A348	L237-I303 HydrophobicContact CD1-CD1 4.44Å; L237-I303 HydrophobicContact CD2-CB 4.25Å; L237-I303 HydrophobicContact CD2-CD1 4.08Å; L237-I303 HydrophobicContact CD2-CG2 3.81Å; V239-I303 HydrophobicContact CG2-CD1 3.53Å; Y284-I303 HydrophobicContact CD2-CG2 3.69Å; Y284-I303 HydrophobicContact CG-CG2 4.31Å; W285-I303 WeakPolarHBondContact O-CA 3.4Å; W286-I303 HydrophobicContact CD2-CD1 4.09Å; W286-I303 HydrophobicContact CD2-CG1 3.75Å; W286-I303 HydrophobicContact CE3-CD1 4.01Å; W286-I303 HydrophobicContact CE3-CG1 3.46Å; W286-I303 VanDerWaalsContact CE3-CG1 3.46Å; W286-I303 HydrophobicContact CG-CG1 4.43Å; W286-I303 HydrophobicContact CH2-CD1 3.75Å; W286-I303 HydrophobicContact CH2-CG1 4.12Å; W286-I303 HydrophobicContact CZ2-CD1 3.82Å; W286-I303 HydrophobicContact CZ2-CG1 4.36Å; W286-I303 HydrophobicContact CZ3-CD1 3.84Å; W286-I303 HydrophobicContact CZ3-CG1 3.67Å; I303-A348 HydrophobicContact CB-CB 4.48Å; I303-A348 PolarHBondContact N-O 3.29Å; I303-A348 PolarHBondContact O-N 2.99Å
304	L	98.9	Very high	90.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.1	163.8	-179.9	77.9	0	0	0	107.4	Y284 W285 L345 A383 W385 A392 F414	Y284-L304 CarbonylContact C-O 3.43Å; Y284-L304 WeakPolarHBondContact CA-O 3.43Å; W285-L304 HydrophobicContact CE3-CB 4.31Å; W285-L304 HydrophobicContact CE3-CD2 3.76Å; W285-L304 HydrophobicContact CE3-CG 4.03Å; W285-L304 HydrophobicContact CZ3-CD2 4.31Å; W285-L304 PolarHBondContact N-O 2.89Å; W285-L304 PolarHBondContact O-N 3.07Å; L304-L345 HydrophobicContact CD1-CB 4.36Å; L304-L345 HydrophobicContact CD1-CD2 4.4Å; L304-L345 HydrophobicContact CD2-CD2 4.41Å; L304-L345 HydrophobicContact CG-CD2 4.33Å; L304-A383 HydrophobicContact CD2-CB 4.07Å; L304-W385 HydrophobicContact CB-CZ2 3.85Å; L304-A392 HydrophobicContact CD1-CB 4.01Å; L304-A392 HydrophobicContact CD2-CB 3.98Å; L304-A392 HydrophobicContact CG-CB 4.43Å; L304-F414 HydrophobicContact CD1-CE1 4.44Å; L304-F414 HydrophobicContact CD1-CZ 3.9Å
305	Y	98.9	Very high	92.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159	173.9	79.4	-87	0	0	0	112.3	L237 T251 A267 G283 E307 L345 K346 A348 D363	L237-Y305 HydrophobicContact CD2-CD1 4.43Å; L237-Y305 HydrophobicContact CD2-CG 4.48Å; T251-Y305 HydrophobicContact CG2-CD1 4.45Å; T251-Y305 HydrophobicContact CG2-CD2 4.45Å; T251-Y305 HydrophobicContact CG2-CE1 3.78Å; T251-Y305 HydrophobicContact CG2-CE2 3.81Å; T251-Y305 VanDerWaalsContact CG2-CZ 3.41Å; T251-Y305 WeakPolarHBondContact CG2-OH 3.2Å; A267-Y305 HydrophobicContact CB-CD2 3.89Å; A267-Y305 HydrophobicContact CB-CE2 3.54Å; G283-Y305 CarbonylContact O-C 3.59Å; G283-Y305 VanDerWaalsContact O-CA 3.31Å; G283-Y305 WeakPolarHBondContact O-CA 3.26Å; Y305-E307 HydrophobicContact CE2-CB 3.96Å; Y305-L345 WeakPolarHBondContact O-CA 3.31Å; Y305-K346 HydrophobicContact CD1-CB 4.06Å; Y305-K346 HydrophobicContact CE1-CB 3.5Å; Y305-K346 VanDerWaalsContact CE1-CB 3.5Å; Y305-K346 HydrophobicContact CE2-CB 4.03Å; Y305-K346 HydrophobicContact CE2-CD 4.47Å; Y305-K346 VanDerWaalsContact CZ-CB 3.49Å; Y305-K346 PolarHBondContact N-O 3.49Å; Y305-K346 PolarHBondContact O-N 3.19Å; Y305-K346 WeakPolarHBondContact OH-CE 3.28Å; Y305-K346 PolarHBondContact OH-NZ 3.05Å; Y305-A348 HydrophobicContact CD1-CB 4.2Å; Y305-A348 HydrophobicContact CE1-CB 4.18Å; Y305-D363 PolarHBondContact OH-OD1 2.9Å; Y305-D363 VanDerWaalsContact OH-OD1 3.09Å; Y305-D363 PolarHBondContact OH-OD2 3.42Å
306	E	98.8	Very high	94.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.9	172.7	-171.6	171.4	113.5	0	0	109.6	A267 G268 R280 G283 V308 T344 L345 I380	A267-E306 WeakPolarHBondContact CA-O 3.33Å; G268-E306 PolarHBondContact N-O 2.69Å; R280-E306 IonicContact CZ-OE1 2.64Å; R280-E306 IonicContact CZ-OE2 3.66Å; R280-E306 VanDerWaalsContact CZ-OE2 3.27Å; R280-E306 IonicContact NH1-OE1 3.89Å; R280-E306 IonicContact NH1-OE2 3.84Å; R280-E306 PolarHBondContact NH1-OE2 2.67Å; R280-E306 IonicContact NH2-OE1 2.61Å; R280-E306 PolarHBondContact NH2-OE1 2.89Å; R280-E306 IonicContact NH2-OE2 3.62Å; R280-E306 PolarHBondContact NH2-OE2 2.89Å; G283-E306 PolarHBondContact O-N 2.76Å; E306-V308 HydrophobicContact CG-CG2 4.02Å; E306-T344 WeakPolarHBondContact CA-O 3.26Å; E306-L345 HydrophobicContact CB-CD2 4.34Å; E306-I380 HydrophobicContact CG-CD1 4.03Å; E306-I380 WeakPolarHBondContact OE2-CB 3.18Å; E306-I380 VanDerWaalsContact OE2-CD1 3.31Å; E306-I380 WeakPolarHBondContact OE2-CD1 3.23Å
307	E	98.6	Very high	95.9	Very high	28 Å²	28	37.4 Å²	37.4	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.5	165.9	-171.3	179.5	129.6	0	0	109	C253 K265 S266 Y305 T344 K346	C253-E307 PolarHBondContact SG-OE2 2.74Å; K265-E307 IonicContact NZ-OE1 3.72Å; S266-E307 WeakPolarHBondContact O-CA 3.26Å; Y305-E307 HydrophobicContact CE2-CB 3.96Å; E307-T344 HydrophobicContact CB-CG2 3.93Å; E307-T344 PolarHBondContact N-O 3.18Å; E307-T344 PolarHBondContact O-N 2.89Å; E307-K346 HydrophobicContact CB-CD 3.9Å; E307-K346 VanDerWaalsContact OE2-CD 3.24Å; E307-K346 WeakPolarHBondContact OE2-CD 3.31Å; E307-K346 IonicContact OE2-NZ 2.77Å; E307-K346 PolarHBondContact OE2-NZ 2.82Å
308	V	97.8	Very high	96.7	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.8	-172.9	-177.3	0	0	0	0	109.9	K265 S266 T271 E306 E310 P341 K342 I343	K265-V308 VanDerWaalsContact CA-O 3.29Å; K265-V308 WeakPolarHBondContact CA-O 3.4Å; S266-V308 PolarHBondContact N-O 2.68Å; S266-V308 VanDerWaalsContact N-O 3.08Å; S266-V308 PolarHBondContact O-N 2.77Å; T271-V308 HydrophobicContact CG2-CB 4.42Å; T271-V308 HydrophobicContact CG2-CG1 3.54Å; T271-V308 HydrophobicContact CG2-CG2 4.23Å; E306-V308 HydrophobicContact CG-CG2 4.02Å; V308-E310 HydrophobicContact CG1-CG 3.77Å; V308-P341 HydrophobicContact CG1-CB 3.6Å; V308-P341 HydrophobicContact CG1-CG 4.39Å; V308-K342 WeakPolarHBondContact CA-O 3.4Å; V308-I343 HydrophobicContact CG2-CG2 4.43Å
309	D	97.4	Very high	97.1	Very high	29 Å²	29	31.3 Å²	31.3	16%	0.155	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	104.2	169.8	-176.7	-12.3	0	0	0	110	K265 S311 K342	K265-D309 WeakPolarHBondContact CE-OD2 3.39Å; K265-D309 HydrophobicContact CG-CB 4.18Å; K265-D309 IonicContact NZ-OD2 2.95Å; D309-S311 VanDerWaalsContact C-N 3.32Å; D309-S311 WeakPolarHBondContact OD1-CB 3.36Å; D309-S311 PolarHBondContact OD1-N 3.15Å; D309-S311 PolarHBondContact OD1-OG 3.06Å; D309-K342 HydrophobicContact CB-CB 4.28Å; D309-K342 PolarHBondContact N-O 3.41Å; D309-K342 PolarHBondContact O-N 2.85Å
310	E	97.6	Very high	97.2	Very high	32 Å²	32	29.5 Å²	29.5	15%	0.15	15%	0.15	C	C	.	.			trans	-88.7	10.2	179.9	-56.3	-162.3	113.4	0	0	113	P264 T271 V308 E312 V313 R332 P341	P264-E310 PolarHBondContact O-N 3.07Å; T271-E310 HydrophobicContact CG2-CG 4.3Å; T271-E310 VanDerWaalsContact CG2-OE1 3.32Å; T271-E310 WeakPolarHBondContact CG2-OE1 3.5Å; V308-E310 HydrophobicContact CG1-CG 3.77Å; E310-E312 PolarHBondContact O-N 3.05Å; E310-V313 HydrophobicContact CB-CB 4.35Å; E310-V313 HydrophobicContact CB-CG2 4.11Å; E310-V313 WeakPolarHBondContact O-CB 3.47Å; E310-V313 PolarHBondContact O-N 3.06Å; E310-R332 HydrophobicContact CB-CB 4.35Å; E310-R332 HydrophobicContact CB-CG 3.85Å; E310-R332 VanDerWaalsContact O-CZ 3.31Å; E310-R332 PolarHBondContact O-NH1 2.9Å; E310-R332 WeakPolarHBondContact OE2-CG 3.29Å; E310-P341 HydrophobicContact CG-CB 4.07Å; E310-P341 HydrophobicContact CG-CG 4.07Å
311	S	96.1	Very high	97	Very high	53 Å²	53	31.5 Å²	31.5	37%	0.371	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-41	-173.3	-63.6	0	0	0	0	113.4	P264 D309 R332	P264-S311 WeakPolarHBondContact CG-OG 3.2Å; D309-S311 VanDerWaalsContact C-N 3.32Å; D309-S311 WeakPolarHBondContact OD1-CB 3.36Å; D309-S311 PolarHBondContact OD1-N 3.15Å; D309-S311 PolarHBondContact OD1-OG 3.06Å; S311-R332 PolarHBondContact O-NH1 2.69Å
312	E	97	Very high	96.7	Very high	95 Å²	95	33.3 Å²	33.3	44%	0.444	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	-174.8	-62.5	-75.9	131.8	0	0	113.9	E310 K339	E310-E312 PolarHBondContact O-N 3.05Å; E312-K339 HydrophobicContact CB-CD 3.78Å; E312-K339 HydrophobicContact CG-CD 4.48Å; E312-K339 IonicContact OE2-NZ 2.69Å; E312-K339 PolarHBondContact OE2-NZ 3.44Å
313	V	98.1	Very high	96.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-81	135.5	-179.9	-179.5	0	0	0	0	109.4	E310 R332 P334 P341	E310-V313 HydrophobicContact CB-CB 4.35Å; E310-V313 HydrophobicContact CB-CG2 4.11Å; E310-V313 WeakPolarHBondContact O-CB 3.47Å; E310-V313 PolarHBondContact O-N 3.06Å; V313-R332 HydrophobicContact CB-CB 4.4Å; V313-R332 HydrophobicContact CG1-CB 3.99Å; V313-R332 PolarHBondContact O-NH1 2.85Å; V313-P334 HydrophobicContact CG1-CB 3.94Å; V313-P334 HydrophobicContact CG1-CG 4.27Å; V313-P341 HydrophobicContact CG2-CB 4.29Å; V313-P341 HydrophobicContact CG2-CG 3.92Å
314	E	96.8	Very high	96.3	Very high	77 Å²	77	41.4 Å²	41.4	36%	0.36	22%	0.219	S	C	.	.			trans	-58.5	145.8	-179.7	-66.3	-172.9	-164.2	0	0	112	R332 Y333 R335 S338	E314-R332 WeakPolarHBondContact O-CA 3.28Å; E314-Y333 PolarHBondContact O-N 3.04Å; E314-R335 IonicContact OE1-CZ 2.69Å; E314-R335 IonicContact OE1-NE 2.77Å; E314-R335 PolarHBondContact OE1-NE 3.46Å; E314-R335 IonicContact OE1-NH2 3.72Å; E314-R335 PolarHBondContact OE1-NH2 3.34Å; E314-R335 WeakPolarHBondContact OE2-CD 3.4Å; E314-R335 IonicContact OE2-CZ 3.64Å; E314-R335 IonicContact OE2-NE 3.18Å; E314-R335 PolarHBondContact OE2-NE 3.41Å; E314-R335 IonicContact OE2-NH2 3.91Å; E314-S338 WeakPolarHBondContact OE1-CB 3.49Å
315	I	96.3	Very high	96.1	Very high	50 Å²	50	46.7 Å²	46.7	26%	0.256	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.3	178.2	-64.1	170.2	0	0	0	110	L261 Y331	L261-I315 HydrophobicContact CD2-CD1 3.32Å; L261-I315 HydrophobicContact CG-CD1 3.82Å; I315-Y331 VanDerWaalsContact CA-O 3.29Å; I315-Y331 WeakPolarHBondContact CA-O 3.49Å
316	I	96	Very high	96	Very high	40 Å²	40	57.3 Å²	57.3	21%	0.205	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	165.3	170.4	65.9	173.8	0	0	0	110.6	V318 S330 Y331 Y333 H841	I316-V318 HydrophobicContact CD1-CG2 4.14Å; I316-V318 HydrophobicContact CG1-CG2 4.46Å; I316-S330 WeakPolarHBondContact O-CA 3.4Å; I316-Y331 PolarHBondContact N-O 2.97Å; I316-Y331 PolarHBondContact O-N 2.9Å; I316-Y333 HydrophobicContact CD1-CD1 4.43Å; I316-Y333 HydrophobicContact CD1-CD2 4Å; I316-Y333 HydrophobicContact CD1-CG 3.77Å; I316-H841 WeakPolarHBondContact CD1-CE1 3.38Å; I316-H841 WeakPolarHBondContact CD1-NE2 3.44Å
317	H	96.5	Very high	95.8	Very high	109 Å²	109	63.4 Å²	63.4	51%	0.505	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.7	177.7	-70.6	101.9	0	0	0	110	T328 S330	H317-T328 HydrophobicContact CB-CG2 4.21Å; H317-S330 PolarHBondContact CD2-OG 3.47Å; H317-S330 PolarHBondContact NE2-OG 3.48Å
318	V	96.1	Very high	95.6	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140	179.1	-177	0	0	0	0	108.4	I316 S320 T328 D329 Y331 L836 E838	I316-V318 HydrophobicContact CD1-CG2 4.14Å; I316-V318 HydrophobicContact CG1-CG2 4.46Å; V318-S320 PolarHBondContact O-N 3.06Å; V318-T328 CarbonylContact O-C 3.46Å; V318-T328 WeakPolarHBondContact O-CA 3.41Å; V318-T328 VanDerWaalsContact O-CB 3.31Å; V318-T328 WeakPolarHBondContact O-CB 3.34Å; V318-D329 PolarHBondContact N-O 2.82Å; V318-D329 PolarHBondContact O-N 3.26Å; V318-Y331 HydrophobicContact CB-CD2 4Å; V318-Y331 HydrophobicContact CB-CE2 3.79Å; V318-Y331 HydrophobicContact CG2-CD2 3.69Å; V318-Y331 HydrophobicContact CG2-CE2 3.87Å; V318-Y331 HydrophobicContact CG2-CG 4.46Å; V318-L836 VanDerWaalsContact CG1-O 3.3Å; V318-L836 WeakPolarHBondContact CG1-O 3.26Å; V318-E838 HydrophobicContact CG1-CB 4.22Å; V318-E838 HydrophobicContact CG2-CB 4.16Å
319	P	96.7	Very high	95.3	Very high	28 Å²	28	67.3 Å²	67.3	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	134.1	176.2	-27.9	37.2	0	0	0	112.6	F835 L836	P319-F835 HydrophobicContact CB-CD1 3.89Å; P319-F835 HydrophobicContact CB-CE1 3.66Å; P319-F835 HydrophobicContact CB-CZ 4.36Å; P319-F835 HydrophobicContact CG-CD1 3.96Å; P319-F835 HydrophobicContact CG-CE1 3.59Å; P319-F835 HydrophobicContact CG-CE2 4.35Å; P319-F835 HydrophobicContact CG-CG 4.49Å; P319-F835 HydrophobicContact CG-CZ 3.8Å; P319-F835 WeakPolarHBondContact CG-O 3.3Å; P319-L836 HydrophobicContact CB-CD2 3.95Å
320	S	93.5	Very high	95.2	Very high	19 Å²	19	67.6 Å²	67.6	13%	0.133	34%	0.339	C	S	.	.			trans	-75.7	144.9	178	-157.9	0	0	0	0	110.3	V318 A322 K327 D329	V318-S320 PolarHBondContact O-N 3.06Å; S320-A322 PolarHBondContact O-N 2.8Å; S320-A322 VanDerWaalsContact O-N 3.14Å; S320-K327 WeakPolarHBondContact CB-O 3.22Å; S320-K327 PolarHBondContact N-O 2.77Å; S320-K327 VanDerWaalsContact N-O 3.07Å; S320-D329 WeakPolarHBondContact CB-OD1 3.34Å; S320-D329 PolarHBondContact OG-OD1 2.61Å
321	P	91.4	Very high	95	Very high	45 Å²	45	67.4 Å²	67.4	29%	0.292	34%	0.337	S	S	.	.	S	Bend	trans	-57.1	-28.2	179.3	-24.9	33.3	0	0	0	114.7	L323 L836	P321-L323 VanDerWaalsContact C-N 3.26Å; P321-L323 PolarHBondContact O-N 2.84Å; P321-L836 HydrophobicContact CB-CD1 4.08Å; P321-L836 HydrophobicContact CG-CD1 4.23Å
322	A	92.1	Very high	95	Very high	39 Å²	39	65.8 Å²	65.8	32%	0.322	32%	0.323	S	S	.	.			trans	-78.6	72.7	175.4	0	0	0	0	0	110.7	S320 E324 E325	S320-A322 PolarHBondContact O-N 2.8Å; S320-A322 VanDerWaalsContact O-N 3.14Å; A322-E324 PolarHBondContact O-N 3.04Å; A322-E324 VanDerWaalsContact O-N 3.12Å; A322-E325 HydrophobicContact CB-CB 4.47Å; A322-E325 HydrophobicContact CB-CG 4.05Å; A322-E325 WeakPolarHBondContact O-CB 3Å; A322-E325 PolarHBondContact O-N 3.13Å
323	L	92	Very high	95.1	Very high	52 Å²	52	61.5 Å²	61.5	27%	0.272	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55	-32.2	-173.3	-66	178.9	0	0	0	113.5	P321 E325 R326 F835 L836 P865 N866	P321-L323 VanDerWaalsContact C-N 3.26Å; P321-L323 PolarHBondContact O-N 2.84Å; L323-E325 VanDerWaalsContact C-N 3.28Å; L323-E325 PolarHBondContact O-N 3.22Å; L323-R326 VanDerWaalsContact O-CG 3.26Å; L323-R326 WeakPolarHBondContact O-CG 3.45Å; L323-R326 PolarHBondContact O-N 2.85Å; L323-F835 HydrophobicContact CD2-CD1 4.2Å; L323-F835 HydrophobicContact CD2-CE1 4.41Å; L323-L836 HydrophobicContact CD2-CD2 4.06Å; L323-P865 HydrophobicContact CD1-CB 3.71Å; L323-N866 WeakPolarHBondContact CD1-OD1 3.46Å
324	E	95.5	Very high	95	Very high	163 Å²	163	61.5 Å²	61.5	76%	0.762	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.4	-33.2	176.3	-68.4	72.5	-162.4	0	0	113	A322 R326	A322-E324 PolarHBondContact O-N 3.04Å; A322-E324 VanDerWaalsContact O-N 3.12Å; E324-R326 PolarHBondContact O-N 3.03Å
325	E	95.4	Very high	95.1	Very high	110 Å²	110	61.9 Å²	61.9	51%	0.514	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.9	-23.4	176.1	-63	-162	-170.9	0	0	112.2	A322 L323 K327	A322-E325 HydrophobicContact CB-CB 4.47Å; A322-E325 HydrophobicContact CB-CG 4.05Å; A322-E325 WeakPolarHBondContact O-CB 3Å; A322-E325 PolarHBondContact O-N 3.13Å; L323-E325 VanDerWaalsContact C-N 3.28Å; L323-E325 PolarHBondContact O-N 3.22Å; E325-K327 HydrophobicContact CB-CD 4.24Å; E325-K327 HydrophobicContact CB-CG 4.12Å; E325-K327 PolarHBondContact O-N 3.24Å; E325-K327 VanDerWaalsContact OE2-CD 3.31Å; E325-K327 WeakPolarHBondContact OE2-CD 3.45Å; E325-K327 WeakPolarHBondContact OE2-CE 3.5Å; E325-K327 IonicContact OE2-NZ 3.87Å; E325-K327 PolarHBondContact OE2-NZ 2.87Å
326	R	95.7	Very high	95.2	Very high	224 Å²	224	59.5 Å²	59.5	85%	0.845	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.6	-178.3	-60.5	167.6	-70.1	176.5	2.3	112.8	L323 E324	L323-R326 VanDerWaalsContact O-CG 3.26Å; L323-R326 WeakPolarHBondContact O-CG 3.45Å; L323-R326 PolarHBondContact O-N 2.85Å; E324-R326 PolarHBondContact O-N 3.03Å
327	K	95.1	Very high	95.3	Very high	129 Å²	129	59.2 Å²	59.2	56%	0.561	30%	0.295	S	S	*	.			trans	-99.3	169.6	174.4	-67.8	179.3	-173.1	163.3	0	111.4	S320 E325	S320-K327 WeakPolarHBondContact CB-O 3.22Å; S320-K327 PolarHBondContact N-O 2.77Å; S320-K327 VanDerWaalsContact N-O 3.07Å; E325-K327 HydrophobicContact CB-CD 4.24Å; E325-K327 HydrophobicContact CB-CG 4.12Å; E325-K327 PolarHBondContact O-N 3.24Å; E325-K327 VanDerWaalsContact OE2-CD 3.31Å; E325-K327 WeakPolarHBondContact OE2-CD 3.45Å; E325-K327 WeakPolarHBondContact OE2-CE 3.5Å; E325-K327 IonicContact OE2-NZ 3.87Å; E325-K327 PolarHBondContact OE2-NZ 2.87Å
328	T	94.7	Very high	95.4	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.2	168.5	49.7	0	0	0	0	108.8	H317 V318	H317-T328 HydrophobicContact CB-CG2 4.21Å; V318-T328 CarbonylContact O-C 3.46Å; V318-T328 WeakPolarHBondContact O-CA 3.41Å; V318-T328 VanDerWaalsContact O-CB 3.31Å; V318-T328 WeakPolarHBondContact O-CB 3.34Å
329	D	92.1	Very high	95.5	Very high	38 Å²	38	59.6 Å²	59.6	20%	0.203	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.9	170.1	-56.3	-11.7	0	0	0	108.3	R151 V318 S320 Y331	R151-D329 IonicContact CZ-OD2 3.71Å; R151-D329 IonicContact NE-OD2 3.93Å; R151-D329 PolarHBondContact NE-OD2 2.85Å; R151-D329 IonicContact NH2-OD2 2.73Å; R151-D329 PolarHBondContact NH2-OD2 2.94Å; V318-D329 PolarHBondContact N-O 2.82Å; V318-D329 PolarHBondContact O-N 3.26Å; S320-D329 WeakPolarHBondContact CB-OD1 3.34Å; S320-D329 PolarHBondContact OG-OD1 2.61Å; D329-Y331 HydrophobicContact CB-CD2 4.43Å; D329-Y331 HydrophobicContact CB-CE2 3.89Å
330	S	94.1	Very high	95.6	Very high	35 Å²	35	58.9 Å²	58.9	25%	0.245	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.3	177.7	-54.8	0	0	0	0	110.7	I316 H317	I316-S330 WeakPolarHBondContact O-CA 3.4Å; H317-S330 PolarHBondContact CD2-OG 3.47Å; H317-S330 PolarHBondContact NE2-OG 3.48Å
331	Y	94.2	Very high	95.8	Very high	27 Å²	27	58.8 Å²	58.8	11%	0.106	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.2	178.2	-75.1	-102.6	0	0	0	110.7	R151 L155 I315 I316 V318 D329 E838	R151-Y331 PolarHBondContact NH2-OH 3.03Å; L155-Y331 HydrophobicContact CD1-CE1 3.92Å; L155-Y331 HydrophobicContact CD2-CE1 4.17Å; L155-Y331 WeakPolarHBondContact CD2-OH 3.38Å; I315-Y331 VanDerWaalsContact CA-O 3.29Å; I315-Y331 WeakPolarHBondContact CA-O 3.49Å; I316-Y331 PolarHBondContact N-O 2.97Å; I316-Y331 PolarHBondContact O-N 2.9Å; V318-Y331 HydrophobicContact CB-CD2 4Å; V318-Y331 HydrophobicContact CB-CE2 3.79Å; V318-Y331 HydrophobicContact CG2-CD2 3.69Å; V318-Y331 HydrophobicContact CG2-CE2 3.87Å; V318-Y331 HydrophobicContact CG2-CG 4.46Å; D329-Y331 HydrophobicContact CB-CD2 4.43Å; D329-Y331 HydrophobicContact CB-CE2 3.89Å; Y331-E838 HydrophobicContact CE1-CB 3.97Å; Y331-E838 HydrophobicContact CE1-CG 4Å; Y331-E838 HydrophobicContact CE2-CB 4.31Å
332	R	96.1	Very high	96.1	Very high	20 Å²	20	62.3 Å²	62.3	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.2	160.7	-64.7	-70.8	177.4	166.8	3.7	107.6	V260 E310 S311 V313 E314	V260-R332 HydrophobicContact CG1-CG 3.72Å; V260-R332 PolarHBondContact O-NE 3.15Å; V260-R332 PolarHBondContact O-NH2 2.91Å; E310-R332 HydrophobicContact CB-CB 4.35Å; E310-R332 HydrophobicContact CB-CG 3.85Å; E310-R332 VanDerWaalsContact O-CZ 3.31Å; E310-R332 PolarHBondContact O-NH1 2.9Å; E310-R332 WeakPolarHBondContact OE2-CG 3.29Å; S311-R332 PolarHBondContact O-NH1 2.69Å; V313-R332 HydrophobicContact CB-CB 4.4Å; V313-R332 HydrophobicContact CG1-CB 3.99Å; V313-R332 PolarHBondContact O-NH1 2.85Å; E314-R332 WeakPolarHBondContact O-CA 3.28Å
333	Y	97.9	Very high	96.4	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.016	29%	0.292	C	S	.	.			trans	-138.1	100.5	-177.6	-171.4	-89.1	0	0	0	109.5	F272 E314 I316 R335 Y791 D792 H841	F272-Y333 AromaticContact CD1-CD2 3.96Å; F272-Y333 HydrophobicContact CD1-CD2 3.96Å; F272-Y333 HydrophobicContact CD1-CE2 4.14Å; F272-Y333 AromaticContact CE1-CD2 3.65Å; F272-Y333 HydrophobicContact CE1-CD2 3.65Å; F272-Y333 AromaticContact CE1-CE2 3.39Å; F272-Y333 HydrophobicContact CE1-CE2 3.39Å; F272-Y333 HydrophobicContact CZ-CD2 4.06Å; F272-Y333 AromaticContact CZ-CE2 3.73Å; F272-Y333 HydrophobicContact CZ-CE2 3.73Å; E314-Y333 PolarHBondContact O-N 3.04Å; I316-Y333 HydrophobicContact CD1-CD1 4.43Å; I316-Y333 HydrophobicContact CD1-CD2 4Å; I316-Y333 HydrophobicContact CD1-CG 3.77Å; Y333-R335 HydrophobicContact CD1-CB 4.21Å; Y333-R335 HydrophobicContact CE1-CB 4.15Å; Y333-R335 PolarHBondContact O-N 2.91Å; Y333-Y791 WeakPolarHBondContact OH-CA 3.34Å; Y333-Y791 WeakPolarHBondContact OH-CD2 3.41Å; Y333-D792 HydrophobicContact CE1-CB 4.23Å; Y333-D792 HydrophobicContact CE2-CB 4.31Å; Y333-D792 PolarHBondContact OH-N 2.97Å; Y333-D792 VanDerWaalsContact OH-N 3.16Å; Y333-H841 AromaticContact CD1-NE2 3.62Å; Y333-H841 AromaticContact CD2-CE1 3.61Å; Y333-H841 AromaticContact CD2-NE2 3.57Å; Y333-H841 AromaticContact CE1-NE2 3.4Å; Y333-H841 WeakPolarHBondContact CE1-NE2 3.44Å; Y333-H841 AromaticContact CE2-CE1 3.34Å; Y333-H841 WeakPolarHBondContact CE2-CE1 3.2Å; Y333-H841 AromaticContact CE2-NE2 3.33Å; Y333-H841 VanDerWaalsContact CE2-NE2 3.33Å; Y333-H841 WeakPolarHBondContact CE2-NE2 3.37Å; Y333-H841 AromaticContact CG-NE2 3.69Å; Y333-H841 AromaticContact CZ-CE1 3.7Å; Y333-H841 AromaticContact CZ-NE2 3.23Å
334	P	97.9	Very high	96.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	29%	0.289	C	S	.	.			trans	-75.7	93.4	174.7	32.1	-32.5	0	0	0	108.2	V273 V313 S338 K339 D792 T793	V273-P334 HydrophobicContact CG2-CG 3.53Å; V313-P334 HydrophobicContact CG1-CB 3.94Å; V313-P334 HydrophobicContact CG1-CG 4.27Å; P334-S338 WeakPolarHBondContact CA-OG 3.17Å; P334-K339 WeakPolarHBondContact CB-O 3.35Å; P334-D792 CarbonylContact O-C 3.55Å; P334-D792 VanDerWaalsContact O-CA 3.32Å; P334-D792 WeakPolarHBondContact O-CA 3.35Å; P334-T793 HydrophobicContact CB-CG2 4.05Å; P334-T793 WeakPolarHBondContact O-CG2 3.34Å; P334-T793 PolarHBondContact O-N 2.97Å
335	R	97.9	Very high	96.9	Very high	86 Å²	86	53.1 Å²	53.1	33%	0.325	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-63.9	154.2	167.2	65.1	176.5	-175.3	72.8	19.7	110.4	E314 Y333 S338 Y791 T793	E314-R335 IonicContact OE1-CZ 2.69Å; E314-R335 IonicContact OE1-NE 2.77Å; E314-R335 PolarHBondContact OE1-NE 3.46Å; E314-R335 IonicContact OE1-NH2 3.72Å; E314-R335 PolarHBondContact OE1-NH2 3.34Å; E314-R335 WeakPolarHBondContact OE2-CD 3.4Å; E314-R335 IonicContact OE2-CZ 3.64Å; E314-R335 IonicContact OE2-NE 3.18Å; E314-R335 PolarHBondContact OE2-NE 3.41Å; E314-R335 IonicContact OE2-NH2 3.91Å; Y333-R335 HydrophobicContact CD1-CB 4.21Å; Y333-R335 HydrophobicContact CE1-CB 4.15Å; Y333-R335 PolarHBondContact O-N 2.91Å; R335-S338 PolarHBondContact N-OG 2.78Å; R335-S338 WeakPolarHBondContact O-CB 3.44Å; R335-S338 PolarHBondContact O-N 2.85Å; R335-S338 PolarHBondContact O-OG 3.45Å; R335-Y791 CarbonylContact C-O 3.42Å; R335-Y791 VanDerWaalsContact CA-O 3.24Å; R335-Y791 WeakPolarHBondContact CA-O 3.44Å; R335-T793 WeakPolarHBondContact O-CG2 3.45Å
336	T	98.3	Very high	97	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	140.6	175.7	-179.7	0	0	0	0	113.2	S338 W788 Y791 T796 E797 P803 Y810	T336-S338 PolarHBondContact O-N 3.45Å; T336-W788 VanDerWaalsContact CG2-O 3.28Å; T336-W788 WeakPolarHBondContact CG2-O 3.23Å; T336-Y791 PolarHBondContact N-O 3.45Å; T336-T796 HydrophobicContact CG2-CG2 4.22Å; T336-E797 WeakPolarHBondContact CA-OE1 3.41Å; T336-E797 VanDerWaalsContact OG1-CG 3.28Å; T336-E797 WeakPolarHBondContact OG1-CG 3.44Å; T336-E797 PolarHBondContact OG1-OE1 3.45Å; T336-P803 HydrophobicContact CG2-CG 4.29Å; T336-Y810 HydrophobicContact CG2-CE1 3.81Å; T336-Y810 PolarHBondContact OG1-OH 2.87Å
337	G	97.8	Very high	97.2	Very high	33 Å²	33	37.9 Å²	37.9	34%	0.34	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	-12.2	-171.4	0	0	0	0	0	115.2	E797	G337-E797 PolarHBondContact N-OE1 3.08Å
338	S	98.3	Very high	97.3	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	16%	0.164	C	C	.	.	S	Bend	trans	-86.1	-174.3	176.2	82.1	0	0	0	0	112.4	E314 P334 R335 T336 R399	E314-S338 WeakPolarHBondContact OE1-CB 3.49Å; P334-S338 WeakPolarHBondContact CA-OG 3.17Å; R335-S338 PolarHBondContact N-OG 2.78Å; R335-S338 WeakPolarHBondContact O-CB 3.44Å; R335-S338 PolarHBondContact O-N 2.85Å; R335-S338 PolarHBondContact O-OG 3.45Å; T336-S338 PolarHBondContact O-N 3.45Å; S338-R399 PolarHBondContact O-NH1 2.88Å; S338-R399 PolarHBondContact O-NH2 2.89Å
339	K	98.4	Very high	97.4	Very high	114 Å²	114	29.2 Å²	29.2	50%	0.496	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-85.5	129.8	-179.4	-69.2	175.5	177.3	168.4	0	111.2	E312 P334	E312-K339 HydrophobicContact CB-CD 3.78Å; E312-K339 HydrophobicContact CG-CD 4.48Å; E312-K339 IonicContact OE2-NZ 2.69Å; E312-K339 PolarHBondContact OE2-NZ 3.44Å; P334-K339 WeakPolarHBondContact CB-O 3.35Å
340	N	98.6	Very high	97.6	Very high	13 Å²	13	27.5 Å²	27.5	7%	0.07	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-70.4	164.4	161.3	-74.7	-58.2	0	0	0	110.9	E378 Y379 T793	N340-E378 HydrophobicContact CB-CG 4.18Å; N340-E378 VanDerWaalsContact ND2-CG 3.33Å; N340-E378 WeakPolarHBondContact ND2-CG 3.28Å; N340-E378 PolarHBondContact ND2-OE1 3.39Å; N340-Y379 PolarHBondContact ND2-OH 3.28Å; N340-T793 PolarHBondContact OD1-OG1 3.07Å
341	P	98.1	Very high	97.7	Very high	16 Å²	16	28.1 Å²	28.1	10%	0.104	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-55.1	149.6	170.3	-22.9	31.5	0	0	0	112.7	T271 V308 E310 V313 I343	T271-P341 HydrophobicContact CG2-CB 4.42Å; T271-P341 HydrophobicContact CG2-CG 3.93Å; V308-P341 HydrophobicContact CG1-CB 3.6Å; V308-P341 HydrophobicContact CG1-CG 4.39Å; E310-P341 HydrophobicContact CG-CB 4.07Å; E310-P341 HydrophobicContact CG-CG 4.07Å; V313-P341 HydrophobicContact CG2-CB 4.29Å; V313-P341 HydrophobicContact CG2-CG 3.92Å; P341-I343 HydrophobicContact CB-CG2 4.37Å
342	K	98.4	Very high	97.7	Very high	120 Å²	120	27 Å²	27	52%	0.522	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.1	163.8	-62.5	168.8	-173.4	161.4	0	108.2	V308 D309	V308-K342 WeakPolarHBondContact CA-O 3.4Å; D309-K342 HydrophobicContact CB-CB 4.28Å; D309-K342 PolarHBondContact N-O 3.41Å; D309-K342 PolarHBondContact O-N 2.85Å
343	I	98.4	Very high	97.5	Very high	28 Å²	28	28.1 Å²	28.1	14%	0.144	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.2	-176	64.4	-172.2	0	0	0	111.6	V308 P341 F370 E378 I380	V308-I343 HydrophobicContact CG2-CG2 4.43Å; P341-I343 HydrophobicContact CB-CG2 4.37Å; I343-F370 HydrophobicContact CG1-CE1 4.1Å; I343-F370 WeakPolarHBondContact O-CD1 3.22Å; I343-E378 WeakPolarHBondContact CD1-O 3.47Å; I343-I380 HydrophobicContact CB-CD1 4.32Å; I343-I380 HydrophobicContact CD1-CD1 3.86Å; I343-I380 HydrophobicContact CD1-CG1 3.78Å; I343-I380 HydrophobicContact CG1-CD1 4.14Å
344	T	98.4	Very high	97.1	Very high	33 Å²	33	32.7 Å²	32.7	20%	0.202	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.9	167.3	-176.6	0	0	0	0	110.4	E306 E307 K346	E306-T344 WeakPolarHBondContact CA-O 3.26Å; E307-T344 HydrophobicContact CB-CG2 3.93Å; E307-T344 PolarHBondContact N-O 3.18Å; E307-T344 PolarHBondContact O-N 2.89Å; T344-K346 HydrophobicContact CG2-CD 4.25Å; T344-K346 HydrophobicContact CG2-CG 4.2Å
345	L	98.6	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.2	166.2	-70.9	172.2	0	0	0	110.4	W285 L304 Y305 E306 F370 I380 A394 F396 L409 F414	W285-L345 HydrophobicContact CZ3-CD2 4.23Å; L304-L345 HydrophobicContact CD1-CB 4.36Å; L304-L345 HydrophobicContact CD1-CD2 4.4Å; L304-L345 HydrophobicContact CD2-CD2 4.41Å; L304-L345 HydrophobicContact CG-CD2 4.33Å; Y305-L345 WeakPolarHBondContact O-CA 3.31Å; E306-L345 HydrophobicContact CB-CD2 4.34Å; L345-F370 HydrophobicContact CG-CE2 4.49Å; L345-I380 HydrophobicContact CD2-CD1 4.12Å; L345-I380 HydrophobicContact CG-CD1 3.93Å; L345-A394 HydrophobicContact CD1-CB 4Å; L345-F396 HydrophobicContact CD1-CE1 4.02Å; L345-F396 HydrophobicContact CD1-CZ 4.12Å; L345-L409 HydrophobicContact CD1-CD1 3.54Å; L345-F414 HydrophobicContact CB-CE1 4.5Å
346	K	98.7	Very high	96.3	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	166.8	179.6	-72.3	-175.6	63.4	-179.3	0	110.1	Y305 E307 T344 D363 K364 E365	Y305-K346 HydrophobicContact CD1-CB 4.06Å; Y305-K346 HydrophobicContact CE1-CB 3.5Å; Y305-K346 VanDerWaalsContact CE1-CB 3.5Å; Y305-K346 HydrophobicContact CE2-CB 4.03Å; Y305-K346 HydrophobicContact CE2-CD 4.47Å; Y305-K346 VanDerWaalsContact CZ-CB 3.49Å; Y305-K346 PolarHBondContact N-O 3.49Å; Y305-K346 PolarHBondContact O-N 3.19Å; Y305-K346 WeakPolarHBondContact OH-CE 3.28Å; Y305-K346 PolarHBondContact OH-NZ 3.05Å; E307-K346 HydrophobicContact CB-CD 3.9Å; E307-K346 VanDerWaalsContact OE2-CD 3.24Å; E307-K346 WeakPolarHBondContact OE2-CD 3.31Å; E307-K346 IonicContact OE2-NZ 2.77Å; E307-K346 PolarHBondContact OE2-NZ 2.82Å; T344-K346 HydrophobicContact CG2-CD 4.25Å; T344-K346 HydrophobicContact CG2-CG 4.2Å; K346-D363 VanDerWaalsContact CE-OD1 3.26Å; K346-D363 WeakPolarHBondContact CE-OD1 3.44Å; K346-D363 VanDerWaalsContact CE-OD2 3.24Å; K346-D363 WeakPolarHBondContact CE-OD2 3.33Å; K346-D363 IonicContact NZ-OD1 3.63Å; K346-D363 IonicContact NZ-OD2 2.76Å; K346-D363 PolarHBondContact NZ-OD2 2.81Å; K346-K364 WeakPolarHBondContact CA-O 3.35Å; K346-K364 VanDerWaalsContact CB-O 3.31Å; K346-K364 WeakPolarHBondContact CB-O 3.32Å; K346-E365 HydrophobicContact CG-CB 4.35Å
347	L	98.6	Very high	96.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	102.5	-170.8	-176.2	70.9	0	0	0	110.9	R302 E349 K364 W385 P411 F414	R302-L347 HydrophobicContact CB-CD1 4.21Å; L347-E349 PolarHBondContact O-N 2.98Å; L347-K364 HydrophobicContact CB-CB 4.27Å; L347-K364 PolarHBondContact N-O 3.01Å; L347-K364 VanDerWaalsContact O-CB 3.27Å; L347-K364 WeakPolarHBondContact O-CB 3.3Å; L347-K364 PolarHBondContact O-N 2.77Å; L347-W385 HydrophobicContact CD1-CH2 3.74Å; L347-W385 HydrophobicContact CD1-CZ2 3.63Å; L347-P411 HydrophobicContact CD2-CB 4.2Å; L347-F414 HydrophobicContact CB-CB 3.93Å; L347-F414 HydrophobicContact CB-CD1 3.68Å; L347-F414 HydrophobicContact CB-CD2 4.19Å; L347-F414 HydrophobicContact CB-CE1 4.19Å; L347-F414 HydrophobicContact CB-CG 3.67Å; L347-F414 HydrophobicContact CD2-CB 3.89Å; L347-F414 HydrophobicContact CD2-CD2 3.88Å; L347-F414 HydrophobicContact CD2-CG 3.96Å; L347-F414 HydrophobicContact CG-CG 4.45Å
348	A	98.3	Very high	95.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120.8	172.8	0	0	0	0	0	109.6	L237 M250 R302 I303 Y305	L237-A348 HydrophobicContact CD2-CB 4.3Å; M250-A348 HydrophobicContact CB-CB 4.44Å; M250-A348 HydrophobicContact CE-CB 4.06Å; R302-A348 CarbonylContact C-O 3.58Å; R302-A348 WeakPolarHBondContact CA-O 3.4Å; I303-A348 HydrophobicContact CB-CB 4.48Å; I303-A348 PolarHBondContact N-O 3.29Å; I303-A348 PolarHBondContact O-N 2.99Å; Y305-A348 HydrophobicContact CD1-CB 4.2Å; Y305-A348 HydrophobicContact CE1-CB 4.18Å
349	E	97.1	Very high	95.7	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.093	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.1	177.6	-172.8	173.1	94.7	0	0	110.3	T300 L301 R302 L347 A361 Q362 K364	T300-E349 HydrophobicContact CG2-CG 3.48Å; T300-E349 VanDerWaalsContact CG2-CG 3.48Å; L301-E349 WeakPolarHBondContact O-CA 3.49Å; R302-E349 HydrophobicContact CG-CB 4.34Å; R302-E349 HydrophobicContact CG-CG 3.99Å; R302-E349 IonicContact CZ-OE2 2.65Å; R302-E349 IonicContact NE-OE2 3.97Å; R302-E349 PolarHBondContact NE-OE2 2.95Å; R302-E349 IonicContact NH2-OE2 2.65Å; R302-E349 PolarHBondContact NH2-OE2 2.87Å; L347-E349 PolarHBondContact O-N 2.98Å; E349-A361 CarbonylContact O-C 3.56Å; E349-A361 WeakPolarHBondContact O-CA 3.4Å; E349-Q362 PolarHBondContact N-O 2.91Å; E349-Q362 PolarHBondContact O-N 3.18Å; E349-K364 HydrophobicContact CB-CD 4.49Å; E349-K364 IonicContact OE1-NZ 2.64Å; E349-K364 PolarHBondContact OE1-NZ 2.92Å; E349-K364 IonicContact OE2-NZ 2.69Å; E349-K364 PolarHBondContact OE2-NZ 2.86Å
350	F	96.6	Very high	95.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152	172.8	66	-80.7	0	0	0	111.8	F228 V239 M250 W286 T300 L301 T352 I358 C360 A361	F228-F350 HydrophobicContact CD1-CE2 4.13Å; F228-F350 HydrophobicContact CD1-CZ 4.39Å; F228-F350 HydrophobicContact CE1-CE2 4.09Å; V239-F350 HydrophobicContact CG1-CE1 4.16Å; V239-F350 HydrophobicContact CG1-CE2 4.19Å; V239-F350 HydrophobicContact CG1-CZ 3.73Å; V239-F350 HydrophobicContact CG2-CE1 4.09Å; V239-F350 HydrophobicContact CG2-CZ 4.47Å; M250-F350 HydrophobicContact CE-CB 4.09Å; M250-F350 HydrophobicContact CE-CD1 3.94Å; M250-F350 HydrophobicContact CE-CG 4.35Å; W286-F350 AromaticContact CH2-CE1 3.78Å; W286-F350 HydrophobicContact CH2-CE1 3.78Å; W286-F350 AromaticContact CH2-CZ 3.7Å; W286-F350 HydrophobicContact CH2-CZ 3.7Å; W286-F350 AromaticContact CZ3-CE1 3.66Å; W286-F350 HydrophobicContact CZ3-CE1 3.66Å; W286-F350 AromaticContact CZ3-CZ 3.8Å; W286-F350 HydrophobicContact CZ3-CZ 3.8Å; T300-F350 WeakPolarHBondContact CA-O 3.42Å; L301-F350 HydrophobicContact CB-CD1 4.17Å; L301-F350 HydrophobicContact CB-CD2 4.43Å; L301-F350 HydrophobicContact CB-CE1 3.64Å; L301-F350 HydrophobicContact CB-CE2 3.94Å; L301-F350 HydrophobicContact CB-CZ 3.5Å; L301-F350 VanDerWaalsContact CB-CZ 3.5Å; L301-F350 HydrophobicContact CD1-CE2 3.71Å; L301-F350 HydrophobicContact CD1-CZ 3.58Å; L301-F350 HydrophobicContact CG-CE2 4.39Å; L301-F350 HydrophobicContact CG-CZ 4.17Å; L301-F350 PolarHBondContact N-O 2.91Å; L301-F350 PolarHBondContact O-N 2.78Å; F350-T352 HydrophobicContact CD2-CG2 3.71Å; F350-T352 HydrophobicContact CE2-CG2 3.61Å; F350-I358 HydrophobicContact CB-CG2 4.4Å; F350-I358 HydrophobicContact CD2-CD1 4.39Å; F350-I358 HydrophobicContact CD2-CG1 4.08Å; F350-I358 HydrophobicContact CD2-CG2 4.36Å; F350-I358 HydrophobicContact CE2-CG1 4.36Å; F350-C360 CarbonylContact C-O 3.44Å; F350-C360 VanDerWaalsContact CA-O 3.26Å; F350-C360 WeakPolarHBondContact CA-O 3.44Å; F350-C360 VanDerWaalsContact CB-O 3.29Å; F350-C360 WeakPolarHBondContact CB-O 3.47Å; F350-A361 HydrophobicContact CB-CB 4.06Å
351	K	95.4	Very high	95.2	Very high	47 Å²	47	44 Å²	44	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.5	177.8	-57.7	-159.9	176.5	-158.2	0	111.1	E293 L298 K299 T300 V359 C360	E293-K351 PolarHBondContact O-NZ 3.06Å; L298-K351 HydrophobicContact CD1-CD 4.47Å; K299-K351 CarbonylContact O-C 3.48Å; K299-K351 VanDerWaalsContact O-CA 3.29Å; K299-K351 WeakPolarHBondContact O-CA 3.32Å; T300-K351 HydrophobicContact CG2-CG 4.14Å; T300-K351 WeakPolarHBondContact OG1-CE 3.29Å; K351-V359 PolarHBondContact O-N 2.75Å; K351-C360 PolarHBondContact N-O 2.77Å
352	T	94.6	Very high	95	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.4	-178.9	61.3	0	0	0	0	110.7	F228 L298 K299 L301 F350 K357 I358	F228-T352 HydrophobicContact CE1-CG2 4.04Å; F228-T352 HydrophobicContact CE2-CG2 3.87Å; F228-T352 HydrophobicContact CZ-CG2 3.38Å; L298-T352 WeakPolarHBondContact CA-O 3.49Å; K299-T352 PolarHBondContact N-O 3.11Å; K299-T352 PolarHBondContact O-N 3.04Å; K299-T352 PolarHBondContact O-OG1 2.94Å; L301-T352 HydrophobicContact CD1-CG2 4.47Å; F350-T352 HydrophobicContact CD2-CG2 3.71Å; F350-T352 HydrophobicContact CE2-CG2 3.61Å; T352-K357 VanDerWaalsContact CA-O 3.22Å; T352-K357 WeakPolarHBondContact CA-O 3.33Å; T352-I358 HydrophobicContact CG2-CG1 4.35Å
353	D	91.9	Very high	94.9	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	172.9	173.1	72.1	6.8	0	0	0	112	L298 K355 G356 K357 V359	L298-D353 HydrophobicContact CD2-CB 4.39Å; D353-K355 PolarHBondContact O-N 2.88Å; D353-K355 WeakPolarHBondContact OD1-CA 3.32Å; D353-K355 WeakPolarHBondContact OD1-CB 3.36Å; D353-K355 PolarHBondContact OD1-N 2.88Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.85Å; D353-K357 PolarHBondContact N-O 3.14Å; D353-K357 WeakPolarHBondContact OD1-CB 3.39Å; D353-K357 PolarHBondContact OD1-N 3.5Å; D353-V359 HydrophobicContact CB-CG2 3.85Å
354	S	88.6	Confident	94.8	Very high	100 Å²	100	43.3 Å²	43.3	70%	0.699	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	2.8	175.4	57.1	0	0	0	0	115.3
355	K	89.8	Confident	94.8	Very high	167 Å²	167	43.5 Å²	43.5	73%	0.726	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	5	173.2	-57.7	174.7	-175.5	169.7	0	112.6	D353 K357	D353-K355 PolarHBondContact O-N 2.88Å; D353-K355 WeakPolarHBondContact OD1-CA 3.32Å; D353-K355 WeakPolarHBondContact OD1-CB 3.36Å; D353-K355 PolarHBondContact OD1-N 2.88Å; K355-K357 VanDerWaalsContact C-N 3.31Å; K355-K357 PolarHBondContact O-N 3.18Å
356	G	89.2	Confident	94.8	Very high	14 Å²	14	43.7 Å²	43.7	14%	0.144	24%	0.237	C	C	.	.	S	Bend	trans	72.1	21.7	-178.6	0	0	0	0	0	114	F228 N241 D353	F228-G356 WeakPolarHBondContact CZ-O 3.44Å; N241-G356 PolarHBondContact ND2-O 2.99Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.85Å
357	K	93.6	Very high	94.7	Very high	118 Å²	118	43.1 Å²	43.1	51%	0.513	23%	0.234	S	C	.	.			trans	-87.7	139.6	171.4	-171.9	-161.9	167.2	-167.8	0	110	E246 T352 D353 K355 V359	E246-K357 WeakPolarHBondContact OE2-CG 3.48Å; T352-K357 VanDerWaalsContact CA-O 3.22Å; T352-K357 WeakPolarHBondContact CA-O 3.33Å; D353-K357 PolarHBondContact N-O 3.14Å; D353-K357 WeakPolarHBondContact OD1-CB 3.39Å; D353-K357 PolarHBondContact OD1-N 3.5Å; K355-K357 VanDerWaalsContact C-N 3.31Å; K355-K357 PolarHBondContact O-N 3.18Å; K357-V359 PolarHBondContact O-N 2.95Å
358	I	94.8	Very high	94.6	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.4	173.3	-58.5	170.8	0	0	0	109.5	F228 V239 E246 R248 F350 T352	F228-I358 HydrophobicContact CE1-CD1 4.3Å; F228-I358 HydrophobicContact CE1-CG1 4.01Å; V239-I358 HydrophobicContact CG1-CD1 4.44Å; E246-I358 PolarHBondContact OE2-N 2.78Å; R248-I358 HydrophobicContact CB-CD1 3.59Å; R248-I358 HydrophobicContact CG-CD1 4.08Å; F350-I358 HydrophobicContact CB-CG2 4.4Å; F350-I358 HydrophobicContact CD2-CD1 4.39Å; F350-I358 HydrophobicContact CD2-CG1 4.08Å; F350-I358 HydrophobicContact CD2-CG2 4.36Å; F350-I358 HydrophobicContact CE2-CG1 4.36Å; T352-I358 HydrophobicContact CG2-CG1 4.35Å
359	V	93.6	Very high	94.5	Very high	80 Å²	80	47.2 Å²	47.2	49%	0.485	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-45.6	-177.3	-177.9	0	0	0	0	110.8	L298 K351 D353 K357	L298-V359 HydrophobicContact CD2-CB 4.49Å; L298-V359 HydrophobicContact CD2-CG2 3.96Å; K351-V359 PolarHBondContact O-N 2.75Å; D353-V359 HydrophobicContact CB-CG2 3.85Å; K357-V359 PolarHBondContact O-N 2.95Å
360	C	91.4	Very high	94.5	Very high	64 Å²	64	46.8 Å²	46.8	43%	0.432	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.9	171	63.2	0	0	0	0	110.7	F350 K351	F350-C360 CarbonylContact C-O 3.44Å; F350-C360 VanDerWaalsContact CA-O 3.26Å; F350-C360 WeakPolarHBondContact CA-O 3.44Å; F350-C360 VanDerWaalsContact CB-O 3.29Å; F350-C360 WeakPolarHBondContact CB-O 3.47Å; K351-C360 PolarHBondContact N-O 2.77Å
361	A	94.4	Very high	94.5	Very high	50 Å²	50	50.3 Å²	50.3	41%	0.413	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.2	171.1	0	0	0	0	0	108	M250 E349 F350	M250-A361 HydrophobicContact CE-CB 3.88Å; M250-A361 HydrophobicContact SD-CB 4.28Å; E349-A361 CarbonylContact O-C 3.56Å; E349-A361 WeakPolarHBondContact O-CA 3.4Å; F350-A361 HydrophobicContact CB-CB 4.06Å
362	Q	93.9	Very high	94.6	Very high	85 Å²	85	49.6 Å²	49.6	40%	0.397	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	125.3	-176.6	-179.7	170.6	69.8	0	0	109.2	E349 K364 P416	E349-Q362 PolarHBondContact N-O 2.91Å; E349-Q362 PolarHBondContact O-N 3.18Å; Q362-K364 HydrophobicContact CG-CG 4.21Å; Q362-P416 HydrophobicContact CG-CB 4.11Å
363	D	96.1	Very high	94.7	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.214	29%	0.288	C	S	.	.			trans	-82.9	144.1	168	-174.4	19	0	0	0	109.8	Y305 K346 V417	Y305-D363 PolarHBondContact OH-OD1 2.9Å; Y305-D363 VanDerWaalsContact OH-OD1 3.09Å; Y305-D363 PolarHBondContact OH-OD2 3.42Å; K346-D363 VanDerWaalsContact CE-OD1 3.26Å; K346-D363 WeakPolarHBondContact CE-OD1 3.44Å; K346-D363 VanDerWaalsContact CE-OD2 3.24Å; K346-D363 WeakPolarHBondContact CE-OD2 3.33Å; K346-D363 IonicContact NZ-OD1 3.63Å; K346-D363 IonicContact NZ-OD2 2.76Å; K346-D363 PolarHBondContact NZ-OD2 2.81Å; D363-V417 HydrophobicContact CB-CG2 4.16Å; D363-V417 PolarHBondContact O-N 3.46Å; D363-V417 VanDerWaalsContact O-N 3.14Å
364	K	97.8	Very high	94.9	Very high	23 Å²	23	47.6 Å²	47.6	10%	0.1	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.8	-176.9	-54	-175.9	179.3	179.6	0	111.3	K346 L347 E349 Q362 F414 I415	K346-K364 WeakPolarHBondContact CA-O 3.35Å; K346-K364 VanDerWaalsContact CB-O 3.31Å; K346-K364 WeakPolarHBondContact CB-O 3.32Å; L347-K364 HydrophobicContact CB-CB 4.27Å; L347-K364 PolarHBondContact N-O 3.01Å; L347-K364 VanDerWaalsContact O-CB 3.27Å; L347-K364 WeakPolarHBondContact O-CB 3.3Å; L347-K364 PolarHBondContact O-N 2.77Å; E349-K364 HydrophobicContact CB-CD 4.49Å; E349-K364 IonicContact OE1-NZ 2.64Å; E349-K364 PolarHBondContact OE1-NZ 2.92Å; E349-K364 IonicContact OE2-NZ 2.69Å; E349-K364 PolarHBondContact OE2-NZ 2.86Å; Q362-K364 HydrophobicContact CG-CG 4.21Å; K364-F414 HydrophobicContact CB-CB 3.9Å; K364-I415 CarbonylContact C-O 3.56Å; K364-I415 WeakPolarHBondContact CA-O 3.32Å; K364-I415 WeakPolarHBondContact CB-O 3.31Å
365	E	97.8	Very high	95.2	Very high	37 Å²	37	46.1 Å²	46.1	17%	0.173	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	160.8	179	59.3	175.6	-167.1	0	0	111.3	K346 V367 F414 I415 V417 P418 R424	K346-E365 HydrophobicContact CG-CB 4.35Å; E365-V367 PolarHBondContact O-N 2.91Å; E365-F414 CarbonylContact O-C 3.56Å; E365-F414 WeakPolarHBondContact O-CA 3.45Å; E365-I415 HydrophobicContact CG-CG1 4.34Å; E365-I415 PolarHBondContact N-O 3.47Å; E365-I415 PolarHBondContact O-N 3.4Å; E365-V417 HydrophobicContact CB-CG2 4.27Å; E365-V417 HydrophobicContact CG-CG2 4.12Å; E365-P418 WeakPolarHBondContact OE1-CD 3.32Å; E365-R424 IonicContact OE1-CZ 3.22Å; E365-R424 IonicContact OE1-NE 3.24Å; E365-R424 IonicContact OE1-NH2 2.71Å; E365-R424 PolarHBondContact OE1-NH2 3.18Å; E365-R424 IonicContact OE2-NH2 2.89Å
366	L	98	Very high	95.5	Very high	5 Å²	5	41 Å²	41	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.3	174	-68.6	165.6	0	0	0	110.3	Q368 F370 L373 L413 F414	L366-Q368 VanDerWaalsContact CB-O 3.3Å; L366-Q368 WeakPolarHBondContact CB-O 3.32Å; L366-Q368 PolarHBondContact O-N 2.91Å; L366-F370 HydrophobicContact CD1-CB 4.3Å; L366-F370 HydrophobicContact CD1-CD2 3.89Å; L366-L373 HydrophobicContact CB-CD1 4.2Å; L366-L373 HydrophobicContact CD1-CD1 4.22Å; L366-L413 HydrophobicContact CD2-CD2 3.78Å; L366-L413 HydrophobicContact CD2-CG 4.05Å; L366-F414 HydrophobicContact CD2-CD1 4Å; L366-F414 HydrophobicContact CD2-CE1 3.58Å; L366-F414 HydrophobicContact CD2-CE2 4.28Å; L366-F414 HydrophobicContact CD2-CZ 3.74Å; L366-F414 HydrophobicContact CG-CD1 4.21Å; L366-F414 HydrophobicContact CG-CE1 3.86Å; L366-F414 HydrophobicContact CG-CZ 4.47Å
367	V	97.4	Very high	95.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	25%	0.247	C	C	.	.	S	Bend	trans	-55.3	-25.6	-178.6	67.3	0	0	0	0	114	E365 L413 I415 A428 V431 W497	E365-V367 PolarHBondContact O-N 2.91Å; V367-L413 HydrophobicContact CG1-CD1 3.8Å; V367-L413 HydrophobicContact CG1-CG 4.43Å; V367-L413 PolarHBondContact N-O 2.76Å; V367-I415 HydrophobicContact CB-CG1 4.49Å; V367-I415 HydrophobicContact CB-CG2 4.15Å; V367-I415 HydrophobicContact CG2-CD1 4.31Å; V367-I415 HydrophobicContact CG2-CG2 4.04Å; V367-A428 HydrophobicContact CG2-CB 3.87Å; V367-V431 HydrophobicContact CB-CG2 4.27Å; V367-V431 HydrophobicContact CG2-CG2 3.93Å; V367-W497 HydrophobicContact CG1-CB 4.33Å; V367-W497 HydrophobicContact CG1-CD2 3.77Å; V367-W497 HydrophobicContact CG1-CE3 3.82Å; V367-W497 HydrophobicContact CG1-CG 4.02Å; V367-W497 HydrophobicContact CG1-CZ3 4.44Å; V367-W497 HydrophobicContact CG2-CB 3.82Å; V367-W497 HydrophobicContact CG2-CG 4.35Å
368	Q	96.5	Very high	96.1	Very high	20 Å²	20	38 Å²	38	9%	0.093	23%	0.234	C	C	.	.	S	Bend	trans	-128	152.3	170.5	-67.3	-73.9	-36.5	0	0	109.4	L366 L373 W497 Q499 Y501	L366-Q368 VanDerWaalsContact CB-O 3.3Å; L366-Q368 WeakPolarHBondContact CB-O 3.32Å; L366-Q368 PolarHBondContact O-N 2.91Å; Q368-L373 HydrophobicContact CB-CD1 4.31Å; Q368-L373 HydrophobicContact CB-CD2 4.11Å; Q368-L373 HydrophobicContact CB-CG 4.04Å; Q368-L373 WeakPolarHBondContact O-CD1 3.36Å; Q368-W497 HydrophobicContact CB-CZ3 4.48Å; Q368-W497 HydrophobicContact CG-CE3 3.6Å; Q368-W497 HydrophobicContact CG-CZ3 3.87Å; Q368-W497 PolarHBondContact NE2-O 2.8Å; Q368-Q499 PolarHBondContact NE2-O 3.48Å; Q368-Y501 VanDerWaalsContact OE1-N 3.08Å
369	P	96.6	Very high	96.3	Very high	67 Å²	67	38 Å²	38	44%	0.435	23%	0.234	S	C	.	.			trans	-56.9	141.2	-176.5	-24.8	34.3	0	0	0	113.2	A371 A372 L373	P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 3.09Å; P369-A372 HydrophobicContact CB-CB 4.19Å; P369-A372 HydrophobicContact CG-CB 4.49Å; P369-A372 WeakPolarHBondContact O-CA 3.4Å; P369-A372 WeakPolarHBondContact O-CB 3.48Å; P369-A372 PolarHBondContact O-N 3.05Å; P369-L373 PolarHBondContact O-N 3.1Å
370	F	97.5	Very high	96.6	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-52.2	-46.8	-179.7	-176	-88.7	0	0	0	112.8	I343 L345 L366 A372 L373 F374 V377 I380 F396	I343-F370 HydrophobicContact CG1-CE1 4.1Å; I343-F370 WeakPolarHBondContact O-CD1 3.22Å; L345-F370 HydrophobicContact CG-CE2 4.49Å; L366-F370 HydrophobicContact CD1-CB 4.3Å; L366-F370 HydrophobicContact CD1-CD2 3.89Å; F370-A372 PolarHBondContact O-N 3.33Å; F370-L373 PolarHBondContact O-N 3.1Å; F370-F374 AromaticContact CD2-CD2 3.76Å; F370-F374 HydrophobicContact CD2-CD2 3.76Å; F370-F374 HydrophobicContact CD2-CE2 4.16Å; F370-F374 HydrophobicContact CE1-CD2 4.49Å; F370-F374 AromaticContact CE2-CD2 3.67Å; F370-F374 HydrophobicContact CE2-CD2 3.67Å; F370-F374 HydrophobicContact CE2-CE2 4.16Å; F370-F374 HydrophobicContact CG-CD2 4.23Å; F370-F374 HydrophobicContact CZ-CD2 4.05Å; F370-F374 PolarHBondContact O-N 2.86Å; F370-V377 HydrophobicContact CE1-CB 4.18Å; F370-V377 HydrophobicContact CE1-CG1 4.01Å; F370-V377 HydrophobicContact CZ-CB 4.43Å; F370-V377 HydrophobicContact CZ-CG1 3.94Å; F370-I380 HydrophobicContact CE2-CD1 4.25Å; F370-I380 HydrophobicContact CZ-CD1 4.08Å; F370-I380 HydrophobicContact CZ-CG1 4.14Å; F370-F396 HydrophobicContact CE2-CE1 4Å; F370-F396 HydrophobicContact CE2-CE2 4.35Å; F370-F396 AromaticContact CE2-CZ 3.67Å; F370-F396 HydrophobicContact CE2-CZ 3.67Å; F370-F396 HydrophobicContact CZ-CD1 4.49Å; F370-F396 AromaticContact CZ-CE1 3.97Å; F370-F396 HydrophobicContact CZ-CE1 3.97Å; F370-F396 HydrophobicContact CZ-CE2 4.38Å; F370-F396 AromaticContact CZ-CZ 3.92Å; F370-F396 HydrophobicContact CZ-CZ 3.92Å
371	A	96.1	Very high	96.9	Very high	76 Å²	76	31.1 Å²	31.1	63%	0.628	19%	0.19	S	C	*	.	H	α-helix	trans	-71.6	-9.1	177.8	0	0	0	0	0	114.7	P369 P375	P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 3.09Å; A371-P375 WeakPolarHBondContact O-CA 3.43Å; A371-P375 WeakPolarHBondContact O-CB 3.48Å
372	A	96.2	Very high	97.1	Very high	31 Å²	31	29.9 Å²	29.9	26%	0.256	18%	0.175	S	C	.	.	H	α-helix	trans	-92	-35.3	169.9	0	0	0	0	0	111.5	P369 F370 Y501	P369-A372 HydrophobicContact CB-CB 4.19Å; P369-A372 HydrophobicContact CG-CB 4.49Å; P369-A372 WeakPolarHBondContact O-CA 3.4Å; P369-A372 WeakPolarHBondContact O-CB 3.48Å; P369-A372 PolarHBondContact O-N 3.05Å; F370-A372 PolarHBondContact O-N 3.33Å; A372-Y501 WeakPolarHBondContact O-CD1 3.15Å; A372-Y501 WeakPolarHBondContact O-CE1 3.34Å
373	L	96.6	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.7	-40.4	174.2	-69.5	171.2	0	0	0	112.3	L366 Q368 P369 F370 P437 W497 Y501 H503 F508	L366-L373 HydrophobicContact CB-CD1 4.2Å; L366-L373 HydrophobicContact CD1-CD1 4.22Å; Q368-L373 HydrophobicContact CB-CD1 4.31Å; Q368-L373 HydrophobicContact CB-CD2 4.11Å; Q368-L373 HydrophobicContact CB-CG 4.04Å; Q368-L373 WeakPolarHBondContact O-CD1 3.36Å; P369-L373 PolarHBondContact O-N 3.1Å; F370-L373 PolarHBondContact O-N 3.1Å; L373-P437 HydrophobicContact CD2-CG 4.35Å; L373-W497 HydrophobicContact CD2-CH2 4.02Å; L373-W497 HydrophobicContact CD2-CZ3 3.87Å; L373-Y501 HydrophobicContact CD2-CD1 3.95Å; L373-Y501 HydrophobicContact CD2-CE1 4.16Å; L373-Y501 HydrophobicContact CD2-CG 4.39Å; L373-H503 PolarHBondContact O-CE1 2.82Å; L373-H503 PolarHBondContact O-ND1 3.15Å; L373-F508 HydrophobicContact CD2-CE2 4.11Å; L373-F508 HydrophobicContact CD2-CZ 3.81Å
374	F	96.8	Very high	97.4	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.026	15%	0.152	C	C	.	.	S	Bend	trans	-132.6	62.9	-170.5	-44.3	-57	0	0	0	111.7	F370 T376 V377 F396 I407 L409 P437 F508	F370-F374 AromaticContact CD2-CD2 3.76Å; F370-F374 HydrophobicContact CD2-CD2 3.76Å; F370-F374 HydrophobicContact CD2-CE2 4.16Å; F370-F374 HydrophobicContact CE1-CD2 4.49Å; F370-F374 AromaticContact CE2-CD2 3.67Å; F370-F374 HydrophobicContact CE2-CD2 3.67Å; F370-F374 HydrophobicContact CE2-CE2 4.16Å; F370-F374 HydrophobicContact CG-CD2 4.23Å; F370-F374 HydrophobicContact CZ-CD2 4.05Å; F370-F374 PolarHBondContact O-N 2.86Å; F374-T376 PolarHBondContact O-N 2.77Å; F374-V377 HydrophobicContact CB-CB 4.17Å; F374-V377 HydrophobicContact CB-CG2 3.74Å; F374-V377 PolarHBondContact O-N 2.93Å; F374-V377 VanDerWaalsContact O-N 3.13Å; F374-F396 HydrophobicContact CB-CE2 4.44Å; F374-F396 HydrophobicContact CD1-CE2 4.06Å; F374-F396 AromaticContact CD2-CE2 3.65Å; F374-F396 HydrophobicContact CD2-CE2 3.65Å; F374-F396 HydrophobicContact CD2-CZ 4.11Å; F374-F396 HydrophobicContact CE1-CE2 4.26Å; F374-F396 AromaticContact CE2-CE2 3.83Å; F374-F396 HydrophobicContact CE2-CE2 3.83Å; F374-F396 HydrophobicContact CE2-CZ 4.14Å; F374-F396 HydrophobicContact CG-CD2 4.3Å; F374-F396 AromaticContact CG-CE2 3.77Å; F374-F396 HydrophobicContact CG-CE2 3.77Å; F374-F396 HydrophobicContact CZ-CE2 4.14Å; F374-I407 HydrophobicContact CD1-CD1 3.77Å; F374-I407 HydrophobicContact CE1-CD1 3.28Å; F374-I407 HydrophobicContact CZ-CD1 3.88Å; F374-L409 HydrophobicContact CE2-CD2 4.41Å; F374-L409 HydrophobicContact CZ-CD2 3.96Å; F374-P437 HydrophobicContact CE1-CB 3.76Å; F374-P437 HydrophobicContact CE1-CG 3.83Å; F374-P437 HydrophobicContact CZ-CB 3.78Å; F374-P437 HydrophobicContact CZ-CG 3.63Å; F374-F508 HydrophobicContact CE1-CD2 4.23Å; F374-F508 HydrophobicContact CE1-CE2 4.34Å
375	P	95.6	Very high	97.4	Very high	70 Å²	70	24.7 Å²	24.7	46%	0.455	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.6	-165	27.3	-37.3	0	0	0	115.9	A371 H503	A371-P375 WeakPolarHBondContact O-CA 3.43Å; A371-P375 WeakPolarHBondContact O-CB 3.48Å; P375-H503 HydrophobicContact CG-CB 3.92Å
376	T	94.9	Very high	97.4	Very high	60 Å²	60	23.1 Å²	23.1	37%	0.368	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.6	178.4	70.7	0	0	0	0	113.9	F374 D398 R403	F374-T376 PolarHBondContact O-N 2.77Å; T376-D398 WeakPolarHBondContact O-CA 3.34Å; T376-R403 PolarHBondContact OG1-NH2 2.83Å
377	V	97.9	Very high	97.3	Very high	16 Å²	16	27.6 Å²	27.6	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.8	-168.6	175.5	0	0	0	0	110.8	F370 F374 F396	F370-V377 HydrophobicContact CE1-CB 4.18Å; F370-V377 HydrophobicContact CE1-CG1 4.01Å; F370-V377 HydrophobicContact CZ-CB 4.43Å; F370-V377 HydrophobicContact CZ-CG1 3.94Å; F374-V377 HydrophobicContact CB-CB 4.17Å; F374-V377 HydrophobicContact CB-CG2 3.74Å; F374-V377 PolarHBondContact O-N 2.93Å; F374-V377 VanDerWaalsContact O-N 3.13Å; V377-F396 HydrophobicContact CB-CB 4.34Å; V377-F396 HydrophobicContact CG1-CB 3.65Å; V377-F396 HydrophobicContact CG1-CD1 4.06Å; V377-F396 HydrophobicContact CG1-CD2 4.31Å; V377-F396 HydrophobicContact CG1-CG 3.77Å; V377-F396 HydrophobicContact CG2-CB 3.69Å; V377-F396 HydrophobicContact CG2-CD2 3.9Å; V377-F396 HydrophobicContact CG2-CG 4.01Å
378	E	98.6	Very high	97.1	Very high	52 Å²	52	30 Å²	30	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-28.9	178.9	-164.8	86.3	163.2	0	0	111.5	N340 I343 L397 R399	N340-E378 HydrophobicContact CB-CG 4.18Å; N340-E378 VanDerWaalsContact ND2-CG 3.33Å; N340-E378 WeakPolarHBondContact ND2-CG 3.28Å; N340-E378 PolarHBondContact ND2-OE1 3.39Å; I343-E378 WeakPolarHBondContact CD1-O 3.47Å; E378-L397 PolarHBondContact N-O 2.83Å; E378-R399 HydrophobicContact CB-CB 3.79Å; E378-R399 HydrophobicContact CB-CG 4.47Å; E378-R399 HydrophobicContact CG-CB 3.81Å; E378-R399 HydrophobicContact CG-CG 3.96Å; E378-R399 WeakPolarHBondContact OE1-CD 3.5Å; E378-R399 IonicContact OE1-CZ 3.88Å; E378-R399 IonicContact OE1-NE 3.79Å; E378-R399 IonicContact OE1-NH1 2.7Å; E378-R399 PolarHBondContact OE1-NH1 2.8Å
379	Y	98.8	Very high	97	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	-174.4	-49.7	-74.9	0	0	0	113	V273 I274 F278 N340 A381 L397 Q401 T793	V273-Y379 HydrophobicContact CG1-CE1 4.26Å; I274-Y379 HydrophobicContact CD1-CD1 3.9Å; F278-Y379 AromaticContact CE2-CD1 3.85Å; F278-Y379 HydrophobicContact CE2-CD1 3.85Å; F278-Y379 HydrophobicContact CE2-CD2 4.4Å; F278-Y379 HydrophobicContact CE2-CE1 4.06Å; F278-Y379 HydrophobicContact CE2-CG 4.01Å; F278-Y379 HydrophobicContact CZ-CD1 4.18Å; F278-Y379 AromaticContact CZ-CD2 3.9Å; F278-Y379 HydrophobicContact CZ-CD2 3.9Å; F278-Y379 HydrophobicContact CZ-CE1 4.44Å; F278-Y379 HydrophobicContact CZ-CE2 4.19Å; F278-Y379 AromaticContact CZ-CG 3.89Å; F278-Y379 HydrophobicContact CZ-CG 3.89Å; N340-Y379 PolarHBondContact ND2-OH 3.28Å; Y379-A381 PolarHBondContact O-N 3.34Å; Y379-L397 HydrophobicContact CD2-CB 4.35Å; Y379-L397 PolarHBondContact N-O 2.8Å; Y379-L397 PolarHBondContact O-N 2.77Å; Y379-Q401 HydrophobicContact CD2-CG 4.21Å; Y379-Q401 HydrophobicContact CE2-CG 4.01Å; Y379-T793 WeakPolarHBondContact OH-CB 3.41Å; Y379-T793 PolarHBondContact OH-OG1 2.86Å
380	I	98.8	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	87.3	167.7	-60.9	161.8	0	0	0	107.9	R280 E306 I343 L345 F370 R382 A383 A394 M395 F396	R280-I380 PolarHBondContact NH1-O 3.42Å; E306-I380 HydrophobicContact CG-CD1 4.03Å; E306-I380 WeakPolarHBondContact OE2-CB 3.18Å; E306-I380 VanDerWaalsContact OE2-CD1 3.31Å; E306-I380 WeakPolarHBondContact OE2-CD1 3.23Å; I343-I380 HydrophobicContact CB-CD1 4.32Å; I343-I380 HydrophobicContact CD1-CD1 3.86Å; I343-I380 HydrophobicContact CD1-CG1 3.78Å; I343-I380 HydrophobicContact CG1-CD1 4.14Å; L345-I380 HydrophobicContact CD2-CD1 4.12Å; L345-I380 HydrophobicContact CG-CD1 3.93Å; F370-I380 HydrophobicContact CE2-CD1 4.25Å; F370-I380 HydrophobicContact CZ-CD1 4.08Å; F370-I380 HydrophobicContact CZ-CG1 4.14Å; I380-R382 PolarHBondContact O-N 3Å; I380-A383 HydrophobicContact CG2-CB 4.43Å; I380-A394 HydrophobicContact CG2-CB 4.47Å; I380-M395 CarbonylContact C-O 3.19Å; I380-F396 HydrophobicContact CB-CD1 4.49Å; I380-F396 HydrophobicContact CG1-CD1 3.95Å; I380-F396 HydrophobicContact CG1-CE1 3.85Å; I380-F396 HydrophobicContact CG2-CD1 4.42Å; I380-F396 HydrophobicContact CG2-CE1 4.33Å
381	A	98.1	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-41	-173.3	0	0	0	0	0	113.2	R280 Y379 M395 L397 V451	R280-A381 WeakPolarHBondContact CD-O 3.31Å; Y379-A381 PolarHBondContact O-N 3.34Å; A381-M395 HydrophobicContact CB-CB 4.27Å; A381-M395 PolarHBondContact N-O 3.07Å; A381-L397 HydrophobicContact CB-CD1 4.19Å; A381-L397 HydrophobicContact CB-CG 4.36Å; A381-V451 HydrophobicContact CB-CG1 3.93Å; A381-V451 HydrophobicContact CB-CG2 3.95Å
382	R	98.4	Very high	97	Very high	24 Å²	24	25.9 Å²	25.9	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.4	175.9	-65.7	-66.2	-179.2	-89.8	9.1	109.9	F278 I380 W393 A394 M395 D453	F278-R382 PolarHBondContact O-NH1 3.42Å; F278-R382 PolarHBondContact O-NH2 2.64Å; I380-R382 PolarHBondContact O-N 3Å; R382-W393 HydrophobicContact CB-CH2 4.25Å; R382-W393 HydrophobicContact CB-CZ3 3.84Å; R382-A394 CarbonylContact O-C 3.57Å; R382-A394 WeakPolarHBondContact O-CA 3.46Å; R382-M395 HydrophobicContact CB-CB 4.09Å; R382-M395 HydrophobicContact CB-CG 4.09Å; R382-M395 HydrophobicContact CB-SD 3.79Å; R382-M395 HydrophobicContact CG-SD 3.84Å; R382-M395 PolarHBondContact N-O 2.88Å; R382-M395 PolarHBondContact O-N 3.45Å; R382-D453 IonicContact CZ-OD1 2.71Å; R382-D453 IonicContact NE-OD1 3.21Å; R382-D453 PolarHBondContact NE-OD1 2.99Å; R382-D453 IonicContact NH2-OD1 3.57Å; R382-D453 PolarHBondContact NH2-OD1 3.16Å
383	A	98.7	Very high	97.1	Very high	8 Å²	8	26 Å²	26	7%	0.066	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	170.1	167.5	0	0	0	0	0	111.5	W285 L304 I380 W393 A394	W285-A383 VanDerWaalsContact CD1-O 3.29Å; W285-A383 HydrophobicContact CD2-CB 3.95Å; W285-A383 HydrophobicContact CE3-CB 3.9Å; W285-A383 HydrophobicContact CH2-CB 3.76Å; W285-A383 HydrophobicContact CZ2-CB 3.81Å; W285-A383 HydrophobicContact CZ3-CB 3.8Å; W285-A383 PolarHBondContact NE1-O 2.88Å; W285-A383 VanDerWaalsContact NE1-O 3.11Å; L304-A383 HydrophobicContact CD2-CB 4.07Å; I380-A383 HydrophobicContact CG2-CB 4.43Å; A383-W393 CarbonylContact C-O 3.53Å; A383-W393 WeakPolarHBondContact CA-O 3.36Å; A383-W393 WeakPolarHBondContact CB-O 3.37Å; A383-A394 HydrophobicContact CB-CB 4.18Å
384	G	98.4	Very high	97.2	Very high	7 Å²	7	26 Å²	26	7%	0.072	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-151.1	179.5	0	0	0	0	0	112.4	A392 W393	G384-A392 CarbonylContact O-C 3.49Å; G384-A392 WeakPolarHBondContact O-CA 3.38Å; G384-W393 PolarHBondContact N-O 2.97Å; G384-W393 PolarHBondContact O-N 3.01Å
385	W	98.4	Very high	97.3	Very high	23 Å²	23	25.8 Å²	25.8	9%	0.087	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.5	179.7	-69.8	86.7	0	0	0	111.9	W285 W286 C287 P288 R302 L304 L347 Y391 A392 W393 P411	W285-W385 PolarHBondContact O-NE1 2.87Å; W286-W385 PolarHBondContact O-NE1 2.9Å; C287-W385 HydrophobicContact CB-CD2 3.99Å; C287-W385 HydrophobicContact CB-CE3 4.22Å; C287-W385 HydrophobicContact CB-CH2 4.17Å; C287-W385 HydrophobicContact CB-CZ2 3.92Å; C287-W385 HydrophobicContact CB-CZ3 4.3Å; P288-W385 VanDerWaalsContact CD-CB 3.49Å; P288-W385 HydrophobicContact CG-CB 4.2Å; R302-W385 HydrophobicContact CB-CH2 4.45Å; R302-W385 HydrophobicContact CB-CZ2 4.44Å; L304-W385 HydrophobicContact CB-CZ2 3.85Å; L347-W385 HydrophobicContact CD1-CH2 3.74Å; L347-W385 HydrophobicContact CD1-CZ2 3.63Å; W385-Y391 WeakPolarHBondContact CA-O 3.19Å; W385-A392 HydrophobicContact CD2-CB 4.16Å; W385-A392 HydrophobicContact CE3-CB 4.1Å; W385-A392 HydrophobicContact CH2-CB 4.16Å; W385-A392 HydrophobicContact CZ2-CB 4.23Å; W385-A392 HydrophobicContact CZ3-CB 4.11Å; W385-W393 VanDerWaalsContact C-NE1 3.33Å; W385-W393 VanDerWaalsContact N-NE1 3.13Å; W385-W393 PolarHBondContact O-NE1 2.88Å; W385-P411 HydrophobicContact CH2-CG 4.14Å; W385-P411 HydrophobicContact CZ3-CG 3.81Å
386	T	97.4	Very high	97.5	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.025	11%	0.107	C	C	.	.			trans	-66.5	154.2	162	55	0	0	0	0	109.5	P288 D388 G389 K390 Y391 L408 P457	P288-T386 VanDerWaalsContact CG-O 3.3Å; P288-T386 WeakPolarHBondContact CG-O 3.09Å; T386-D388 WeakPolarHBondContact CB-OD1 3.21Å; T386-D388 PolarHBondContact O-N 3.4Å; T386-D388 VanDerWaalsContact O-N 3.15Å; T386-D388 PolarHBondContact OG1-OD1 2.85Å; T386-G389 PolarHBondContact O-N 3.37Å; T386-K390 PolarHBondContact OG1-N 2.85Å; T386-Y391 HydrophobicContact CG2-CD2 4.34Å; T386-Y391 PolarHBondContact N-O 2.76Å; T386-Y391 PolarHBondContact OG1-N 2.9Å; T386-Y391 PolarHBondContact OG1-O 2.91Å; T386-Y391 VanDerWaalsContact OG1-O 3.13Å; T386-L408 HydrophobicContact CG2-CD2 4.29Å; T386-P457 HydrophobicContact CG2-CB 4.44Å; T386-P457 HydrophobicContact CG2-CG 4.49Å
387	R	95	Very high	97.7	Very high	100 Å²	100	19.7 Å²	19.7	38%	0.377	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	-170.6	-75.9	170.1	58.4	-156.8	1.7	114.7	Y456 I459 E537	R387-Y456 PolarHBondContact NH1-OH 2.82Å; R387-I459 HydrophobicContact CB-CD1 4.2Å; R387-I459 HydrophobicContact CB-CG1 3.94Å; R387-E537 IonicContact CZ-OE1 2.67Å; R387-E537 IonicContact CZ-OE2 3.85Å; R387-E537 IonicContact NH1-OE1 3.02Å; R387-E537 PolarHBondContact NH1-OE1 3.08Å; R387-E537 IonicContact NH1-OE2 3.25Å; R387-E537 PolarHBondContact NH1-OE2 2.89Å; R387-E537 IonicContact NH2-OE2 3.91Å; R387-E537 PolarHBondContact NH2-OE2 2.64Å
388	D	94	Very high	97.7	Very high	50 Å²	50	20.2 Å²	20.2	27%	0.267	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.3	173.9	55.5	7	0	0	0	113.6	T289 T386 K390	T289-D388 WeakPolarHBondContact CB-O 3.31Å; T289-D388 WeakPolarHBondContact CG2-O 3.27Å; T289-D388 PolarHBondContact OG1-O 2.55Å; T386-D388 WeakPolarHBondContact CB-OD1 3.21Å; T386-D388 PolarHBondContact O-N 3.4Å; T386-D388 VanDerWaalsContact O-N 3.15Å; T386-D388 PolarHBondContact OG1-OD1 2.85Å; D388-K390 VanDerWaalsContact CG-CB 3.5Å; D388-K390 PolarHBondContact O-N 3.07Å; D388-K390 WeakPolarHBondContact OD1-CB 3.47Å; D388-K390 PolarHBondContact OD1-N 3.46Å; D388-K390 WeakPolarHBondContact OD2-CB 3.3Å
389	G	94.9	Very high	97.7	Very high	4 Å²	4	20.4 Å²	20.4	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	71.1	9.9	-171.8	0	0	0	0	0	115	T386 Y391	T386-G389 PolarHBondContact O-N 3.37Å; G389-Y391 VanDerWaalsContact C-N 3.3Å; G389-Y391 PolarHBondContact O-N 2.88Å
390	K	94.3	Very high	97.6	Very high	60 Å²	60	22.8 Å²	22.8	26%	0.261	11%	0.106	S	C	.	.	S	Bend	trans	-64.9	-34.1	-179.8	-172.7	175.7	172.3	-179.9	0	112.2	T386 D388 P411 E465	T386-K390 PolarHBondContact OG1-N 2.85Å; D388-K390 VanDerWaalsContact CG-CB 3.5Å; D388-K390 PolarHBondContact O-N 3.07Å; D388-K390 WeakPolarHBondContact OD1-CB 3.47Å; D388-K390 PolarHBondContact OD1-N 3.46Å; D388-K390 WeakPolarHBondContact OD2-CB 3.3Å; K390-P411 WeakPolarHBondContact O-CD 3.38Å; K390-E465 IonicContact NZ-OE2 2.71Å; K390-E465 PolarHBondContact NZ-OE2 3.13Å
391	Y	97.1	Very high	97.6	Very high	24 Å²	24	22.8 Å²	22.8	9%	0.094	11%	0.106	C	C	.	.			trans	-133.5	140.1	174.6	-54.1	-86.6	0	0	0	111.2	W385 T386 G389 L408 P410 L438 L490	W385-Y391 WeakPolarHBondContact CA-O 3.19Å; T386-Y391 HydrophobicContact CG2-CD2 4.34Å; T386-Y391 PolarHBondContact N-O 2.76Å; T386-Y391 PolarHBondContact OG1-N 2.9Å; T386-Y391 PolarHBondContact OG1-O 2.91Å; T386-Y391 VanDerWaalsContact OG1-O 3.13Å; G389-Y391 VanDerWaalsContact C-N 3.3Å; G389-Y391 PolarHBondContact O-N 2.88Å; Y391-L408 HydrophobicContact CD1-CB 3.99Å; Y391-L408 HydrophobicContact CD1-CD1 4.27Å; Y391-L408 HydrophobicContact CD2-CD1 4.02Å; Y391-L408 HydrophobicContact CE2-CD1 4.34Å; Y391-L408 HydrophobicContact CG-CB 4.06Å; Y391-L408 HydrophobicContact CG-CD1 3.99Å; Y391-L408 HydrophobicContact CG-CG 4.46Å; Y391-P410 HydrophobicContact CD1-CB 4.19Å; Y391-P410 HydrophobicContact CD1-CG 3.97Å; Y391-P410 HydrophobicContact CE1-CB 4.31Å; Y391-P410 HydrophobicContact CE1-CG 3.97Å; Y391-L438 HydrophobicContact CE1-CD1 3.98Å; Y391-L490 HydrophobicContact CE2-CD1 4.17Å
392	A	98.6	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	156.7	152.5	0	0	0	0	0	108.8	L304 G384 W385 L408 L409	L304-A392 HydrophobicContact CD1-CB 4.01Å; L304-A392 HydrophobicContact CD2-CB 3.98Å; L304-A392 HydrophobicContact CG-CB 4.43Å; G384-A392 CarbonylContact O-C 3.49Å; G384-A392 WeakPolarHBondContact O-CA 3.38Å; W385-A392 HydrophobicContact CD2-CB 4.16Å; W385-A392 HydrophobicContact CE3-CB 4.1Å; W385-A392 HydrophobicContact CH2-CB 4.16Å; W385-A392 HydrophobicContact CZ2-CB 4.23Å; W385-A392 HydrophobicContact CZ3-CB 4.11Å; A392-L408 CarbonylContact O-C 3.57Å; A392-L408 WeakPolarHBondContact O-CA 3.02Å; A392-L409 HydrophobicContact CB-CB 4.26Å; A392-L409 PolarHBondContact N-O 2.75Å; A392-L409 PolarHBondContact O-N 3.48Å
393	W	98.7	Very high	97.7	Very high	35 Å²	35	26.3 Å²	26.3	13%	0.133	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.3	173.2	63.5	-101.2	0	0	0	112.1	R382 A383 G384 W385 M395 L406 I407 L408 F455	R382-W393 HydrophobicContact CB-CH2 4.25Å; R382-W393 HydrophobicContact CB-CZ3 3.84Å; A383-W393 CarbonylContact C-O 3.53Å; A383-W393 WeakPolarHBondContact CA-O 3.36Å; A383-W393 WeakPolarHBondContact CB-O 3.37Å; G384-W393 PolarHBondContact N-O 2.97Å; G384-W393 PolarHBondContact O-N 3.01Å; W385-W393 VanDerWaalsContact C-NE1 3.33Å; W385-W393 VanDerWaalsContact N-NE1 3.13Å; W385-W393 PolarHBondContact O-NE1 2.88Å; W393-M395 HydrophobicContact CZ3-CE 4.03Å; W393-M395 HydrophobicContact CZ3-CG 4.3Å; W393-L406 HydrophobicContact CE3-CD1 4.23Å; W393-I407 CarbonylContact C-O 3.57Å; W393-I407 WeakPolarHBondContact CA-O 3.31Å; W393-I407 WeakPolarHBondContact CB-O 3.39Å; W393-L408 HydrophobicContact CB-CD2 3.93Å; W393-F455 HydrophobicContact CB-CE1 4.37Å; W393-F455 AromaticContact CD1-CE1 3.73Å; W393-F455 AromaticContact CD2-CD1 3.78Å; W393-F455 HydrophobicContact CD2-CD1 3.78Å; W393-F455 AromaticContact CD2-CE1 3.63Å; W393-F455 HydrophobicContact CD2-CE1 3.63Å; W393-F455 AromaticContact CE2-CD1 3.67Å; W393-F455 AromaticContact CE2-CE1 3.74Å; W393-F455 HydrophobicContact CE3-CD1 4.01Å; W393-F455 HydrophobicContact CE3-CE1 4.19Å; W393-F455 HydrophobicContact CG-CD1 4.33Å; W393-F455 AromaticContact CG-CE1 3.68Å; W393-F455 HydrophobicContact CG-CE1 3.68Å; W393-F455 HydrophobicContact CH2-CD1 4.16Å; W393-F455 AromaticContact CZ2-CD1 3.89Å; W393-F455 HydrophobicContact CZ2-CD1 3.89Å; W393-F455 HydrophobicContact CZ2-CE1 4.42Å; W393-F455 HydrophobicContact CZ3-CD1 4.2Å; W393-F455 AromaticContact NE1-CE1 3.74Å
394	A	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.6	175	0	0	0	0	0	112.1	L345 I380 R382 A383 F396 I407	L345-A394 HydrophobicContact CD1-CB 4Å; I380-A394 HydrophobicContact CG2-CB 4.47Å; R382-A394 CarbonylContact O-C 3.57Å; R382-A394 WeakPolarHBondContact O-CA 3.46Å; A383-A394 HydrophobicContact CB-CB 4.18Å; A394-F396 HydrophobicContact CB-CD1 3.87Å; A394-F396 HydrophobicContact CB-CE1 3.33Å; A394-F396 HydrophobicContact CB-CZ 3.89Å; A394-I407 HydrophobicContact CB-CG2 4.29Å; A394-I407 PolarHBondContact N-O 3.03Å; A394-I407 PolarHBondContact O-N 3.32Å
395	M	98.7	Very high	97.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.1	164	-63.9	174.8	-168	0	0	107.6	I380 A381 R382 W393 L404 Q405 L406 F455 R472	I380-M395 CarbonylContact C-O 3.19Å; A381-M395 HydrophobicContact CB-CB 4.27Å; A381-M395 PolarHBondContact N-O 3.07Å; R382-M395 HydrophobicContact CB-CB 4.09Å; R382-M395 HydrophobicContact CB-CG 4.09Å; R382-M395 HydrophobicContact CB-SD 3.79Å; R382-M395 HydrophobicContact CG-SD 3.84Å; R382-M395 PolarHBondContact N-O 2.88Å; R382-M395 PolarHBondContact O-N 3.45Å; W393-M395 HydrophobicContact CZ3-CE 4.03Å; W393-M395 HydrophobicContact CZ3-CG 4.3Å; M395-L404 HydrophobicContact CB-CD1 4.45Å; M395-Q405 CarbonylContact C-O 3.55Å; M395-Q405 WeakPolarHBondContact CA-O 3.27Å; M395-L406 HydrophobicContact CE-CD1 4.18Å; M395-L406 HydrophobicContact CG-CD1 3.69Å; M395-F455 HydrophobicContact CE-CB 3.46Å; M395-F455 VanDerWaalsContact CE-CB 3.46Å; M395-F455 HydrophobicContact CE-CG 4.2Å; M395-R472 VanDerWaalsContact CE-NH1 3.33Å
396	F	98.6	Very high	97.6	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.6	178.1	-64.7	-23	0	0	0	110.3	L345 F370 F374 V377 I380 A394 L404 Q405 I407	L345-F396 HydrophobicContact CD1-CE1 4.02Å; L345-F396 HydrophobicContact CD1-CZ 4.12Å; F370-F396 HydrophobicContact CE2-CE1 4Å; F370-F396 HydrophobicContact CE2-CE2 4.35Å; F370-F396 AromaticContact CE2-CZ 3.67Å; F370-F396 HydrophobicContact CE2-CZ 3.67Å; F370-F396 HydrophobicContact CZ-CD1 4.49Å; F370-F396 AromaticContact CZ-CE1 3.97Å; F370-F396 HydrophobicContact CZ-CE1 3.97Å; F370-F396 HydrophobicContact CZ-CE2 4.38Å; F370-F396 AromaticContact CZ-CZ 3.92Å; F370-F396 HydrophobicContact CZ-CZ 3.92Å; F374-F396 HydrophobicContact CB-CE2 4.44Å; F374-F396 HydrophobicContact CD1-CE2 4.06Å; F374-F396 AromaticContact CD2-CE2 3.65Å; F374-F396 HydrophobicContact CD2-CE2 3.65Å; F374-F396 HydrophobicContact CD2-CZ 4.11Å; F374-F396 HydrophobicContact CE1-CE2 4.26Å; F374-F396 AromaticContact CE2-CE2 3.83Å; F374-F396 HydrophobicContact CE2-CE2 3.83Å; F374-F396 HydrophobicContact CE2-CZ 4.14Å; F374-F396 HydrophobicContact CG-CD2 4.3Å; F374-F396 AromaticContact CG-CE2 3.77Å; F374-F396 HydrophobicContact CG-CE2 3.77Å; F374-F396 HydrophobicContact CZ-CE2 4.14Å; V377-F396 HydrophobicContact CB-CB 4.34Å; V377-F396 HydrophobicContact CG1-CB 3.65Å; V377-F396 HydrophobicContact CG1-CD1 4.06Å; V377-F396 HydrophobicContact CG1-CD2 4.31Å; V377-F396 HydrophobicContact CG1-CG 3.77Å; V377-F396 HydrophobicContact CG2-CB 3.69Å; V377-F396 HydrophobicContact CG2-CD2 3.9Å; V377-F396 HydrophobicContact CG2-CG 4.01Å; I380-F396 HydrophobicContact CB-CD1 4.49Å; I380-F396 HydrophobicContact CG1-CD1 3.95Å; I380-F396 HydrophobicContact CG1-CE1 3.85Å; I380-F396 HydrophobicContact CG2-CD1 4.42Å; I380-F396 HydrophobicContact CG2-CE1 4.33Å; A394-F396 HydrophobicContact CB-CD1 3.87Å; A394-F396 HydrophobicContact CB-CE1 3.33Å; A394-F396 HydrophobicContact CB-CZ 3.89Å; F396-L404 VanDerWaalsContact O-CA 3.32Å; F396-L404 WeakPolarHBondContact O-CA 3.2Å; F396-Q405 PolarHBondContact N-O 3.1Å; F396-Q405 PolarHBondContact O-N 3Å; F396-I407 HydrophobicContact CD2-CD1 4.06Å; F396-I407 HydrophobicContact CD2-CG2 4.45Å; F396-I407 HydrophobicContact CE2-CB 4.27Å; F396-I407 HydrophobicContact CE2-CD1 3.76Å; F396-I407 HydrophobicContact CE2-CG2 3.79Å; F396-I407 HydrophobicContact CZ-CG2 3.98Å
397	L	98.8	Very high	97.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.1	170.8	-82.6	174.8	0	0	0	111.2	F278 E378 Y379 A381 Q401 L404 I449 V451	F278-L397 HydrophobicContact CD1-CD1 4.4Å; F278-L397 HydrophobicContact CE1-CD1 3.62Å; F278-L397 HydrophobicContact CZ-CD1 4.37Å; E378-L397 PolarHBondContact N-O 2.83Å; Y379-L397 HydrophobicContact CD2-CB 4.35Å; Y379-L397 PolarHBondContact N-O 2.8Å; Y379-L397 PolarHBondContact O-N 2.77Å; A381-L397 HydrophobicContact CB-CD1 4.19Å; A381-L397 HydrophobicContact CB-CG 4.36Å; L397-Q401 HydrophobicContact CD1-CB 4.45Å; L397-Q401 HydrophobicContact CD1-CG 4.23Å; L397-L404 HydrophobicContact CD2-CB 3.73Å; L397-L404 HydrophobicContact CD2-CD1 4.29Å; L397-L404 HydrophobicContact CD2-CG 4.3Å; L397-I449 HydrophobicContact CD2-CB 3.83Å; L397-I449 HydrophobicContact CD2-CG1 3.91Å; L397-I449 HydrophobicContact CD2-CG2 4Å; L397-V451 HydrophobicContact CD1-CG2 3.42Å; L397-V451 VanDerWaalsContact CD1-CG2 3.42Å; L397-V451 HydrophobicContact CG-CG2 4.43Å
398	D	98.4	Very high	97.8	Very high	26 Å²	26	20.4 Å²	20.4	14%	0.139	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	165	162.7	70.4	-24.4	0	0	0	112.2	T376 Q401 Q402 R403	T376-D398 WeakPolarHBondContact O-CA 3.34Å; D398-Q401 PolarHBondContact O-N 2.92Å; D398-Q401 WeakPolarHBondContact OD1-CA 3.39Å; D398-Q401 PolarHBondContact OD1-N 3.14Å; D398-Q402 PolarHBondContact OD1-N 3.22Å; D398-R403 HydrophobicContact CB-CB 4.39Å; D398-R403 PolarHBondContact N-O 3.41Å; D398-R403 PolarHBondContact OD1-N 3.38Å; D398-R403 PolarHBondContact OD2-N 2.79Å
399	R	98.4	Very high	98	Very high	56 Å²	56	18 Å²	18	21%	0.211	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.5	-178.7	-175.5	175.7	179.5	132.2	-2.9	113.9	S338 E378 Q401 E797	S338-R399 PolarHBondContact O-NH1 2.88Å; S338-R399 PolarHBondContact O-NH2 2.89Å; E378-R399 HydrophobicContact CB-CB 3.79Å; E378-R399 HydrophobicContact CB-CG 4.47Å; E378-R399 HydrophobicContact CG-CB 3.81Å; E378-R399 HydrophobicContact CG-CG 3.96Å; E378-R399 WeakPolarHBondContact OE1-CD 3.5Å; E378-R399 IonicContact OE1-CZ 3.88Å; E378-R399 IonicContact OE1-NE 3.79Å; E378-R399 IonicContact OE1-NH1 2.7Å; E378-R399 PolarHBondContact OE1-NH1 2.8Å; R399-Q401 PolarHBondContact O-N 3.46Å; R399-Q401 VanDerWaalsContact O-N 3.13Å; R399-E797 WeakPolarHBondContact CG-OE2 3.15Å; R399-E797 IonicContact CZ-OE1 3.69Å; R399-E797 IonicContact CZ-OE2 3.87Å; R399-E797 IonicContact NE-OE1 2.76Å; R399-E797 IonicContact NE-OE2 2.69Å; R399-E797 PolarHBondContact NE-OE2 2.95Å; R399-E797 IonicContact NH2-OE1 2.86Å; R399-E797 PolarHBondContact NH2-OE1 2.72Å; R399-E797 IonicContact NH2-OE2 2.81Å; R399-E797 PolarHBondContact NH2-OE2 3.45Å
400	P	98.3	Very high	98.1	Very high	54 Å²	54	18.6 Å²	18.6	35%	0.351	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.5	172.2	-22.7	34.8	0	0	0	115.2	Q402	P400-Q402 VanDerWaalsContact C-N 3.26Å; P400-Q402 HydrophobicContact CB-CB 4.32Å; P400-Q402 HydrophobicContact CB-CG 4.32Å; P400-Q402 PolarHBondContact O-N 2.94Å; P400-Q402 PolarHBondContact O-NE2 2.85Å
401	Q	98.6	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	53.9	43.1	-175.4	-57.3	173.2	56.1	0	0	112	F278 Y379 L397 D398 R399 W448 I449 G794 R798	F278-Q401 VanDerWaalsContact CE1-OE1 3.24Å; F278-Q401 HydrophobicContact CZ-CG 4.33Å; F278-Q401 VanDerWaalsContact CZ-OE1 3.24Å; Y379-Q401 HydrophobicContact CD2-CG 4.21Å; Y379-Q401 HydrophobicContact CE2-CG 4.01Å; L397-Q401 HydrophobicContact CD1-CB 4.45Å; L397-Q401 HydrophobicContact CD1-CG 4.23Å; D398-Q401 PolarHBondContact O-N 2.92Å; D398-Q401 WeakPolarHBondContact OD1-CA 3.39Å; D398-Q401 PolarHBondContact OD1-N 3.14Å; R399-Q401 PolarHBondContact O-N 3.46Å; R399-Q401 VanDerWaalsContact O-N 3.13Å; Q401-W448 CarbonylContact O-C 3.55Å; Q401-W448 WeakPolarHBondContact O-CA 3.38Å; Q401-I449 WeakPolarHBondContact O-CG1 3.25Å; Q401-I449 PolarHBondContact O-N 2.86Å; Q401-G794 PolarHBondContact NE2-O 3.01Å; Q401-R798 HydrophobicContact CB-CG 4.43Å; Q401-R798 VanDerWaalsContact OE1-CD 3.31Å
402	Q	98.6	Very high	98.2	Very high	48 Å²	48	18 Å²	18	22%	0.224	10%	0.096	C	C	.	.			trans	-120.6	-8.8	-177.5	-77	164.8	48.6	0	0	112.8	D398 P400 T444 T445 K723	D398-Q402 PolarHBondContact OD1-N 3.22Å; P400-Q402 VanDerWaalsContact C-N 3.26Å; P400-Q402 HydrophobicContact CB-CB 4.32Å; P400-Q402 HydrophobicContact CB-CG 4.32Å; P400-Q402 PolarHBondContact O-N 2.94Å; P400-Q402 PolarHBondContact O-NE2 2.85Å; Q402-T444 VanDerWaalsContact O-CA 3.23Å; Q402-T444 WeakPolarHBondContact O-CA 3.5Å; Q402-T445 PolarHBondContact O-N 2.87Å; Q402-K723 VanDerWaalsContact NE2-NZ 3.14Å
403	R	98.1	Very high	98.1	Very high	51 Å²	51	18 Å²	18	19%	0.192	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.5	169.8	-178.6	166.8	82.4	163.7	4.3	111	T376 D398 Q405 E442 E443 T444	T376-R403 PolarHBondContact OG1-NH2 2.83Å; D398-R403 HydrophobicContact CB-CB 4.39Å; D398-R403 PolarHBondContact N-O 3.41Å; D398-R403 PolarHBondContact OD1-N 3.38Å; D398-R403 PolarHBondContact OD2-N 2.79Å; R403-Q405 HydrophobicContact CG-CG 4.44Å; R403-E442 HydrophobicContact CG-CG 4.38Å; R403-E442 IonicContact NH1-OE2 2.85Å; R403-E443 WeakPolarHBondContact CA-O 3.41Å; R403-T444 HydrophobicContact CB-CG2 3.99Å; R403-T444 HydrophobicContact CG-CG2 3.83Å
404	L	98.5	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.7	168.2	-176.7	151.9	0	0	0	110.6	M395 F396 L397 E442 E443 I449	M395-L404 HydrophobicContact CB-CD1 4.45Å; F396-L404 VanDerWaalsContact O-CA 3.32Å; F396-L404 WeakPolarHBondContact O-CA 3.2Å; L397-L404 HydrophobicContact CD2-CB 3.73Å; L397-L404 HydrophobicContact CD2-CD1 4.29Å; L397-L404 HydrophobicContact CD2-CG 4.3Å; L404-E442 WeakPolarHBondContact O-CA 3.19Å; L404-E443 HydrophobicContact CB-CG 3.76Å; L404-E443 HydrophobicContact CD2-CG 4.04Å; L404-E443 HydrophobicContact CG-CG 4.42Å; L404-E443 PolarHBondContact N-O 2.67Å; L404-E443 PolarHBondContact O-N 2.95Å; L404-I449 HydrophobicContact CB-CD1 4.41Å; L404-I449 HydrophobicContact CB-CG1 4.22Å; L404-I449 HydrophobicContact CB-CG2 4.09Å; L404-I449 HydrophobicContact CD1-CG2 3.81Å
405	Q	97.8	Very high	98	Very high	16 Å²	16	16.9 Å²	16.9	8%	0.075	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.3	171.9	-70.4	177.8	-29.2	0	0	109.8	M395 F396 R403 V439 E442	M395-Q405 CarbonylContact C-O 3.55Å; M395-Q405 WeakPolarHBondContact CA-O 3.27Å; F396-Q405 PolarHBondContact N-O 3.1Å; F396-Q405 PolarHBondContact O-N 3Å; R403-Q405 HydrophobicContact CG-CG 4.44Å; Q405-V439 HydrophobicContact CB-CG1 4.26Å; Q405-V439 HydrophobicContact CG-CG1 4.28Å; Q405-E442 HydrophobicContact CG-CB 4.48Å; Q405-E442 HydrophobicContact CG-CG 4.09Å; Q405-E442 PolarHBondContact NE2-OE2 2.73Å
406	L	98.4	Very high	97.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.6	170.8	180	68	0	0	0	108.5	W393 M395 V439 I440 Y441 F455 F470	W393-L406 HydrophobicContact CE3-CD1 4.23Å; M395-L406 HydrophobicContact CE-CD1 4.18Å; M395-L406 HydrophobicContact CG-CD1 3.69Å; L406-V439 CarbonylContact O-C 3.57Å; L406-I440 HydrophobicContact CB-CG1 4.32Å; L406-I440 HydrophobicContact CD2-CD1 3.74Å; L406-I440 HydrophobicContact CD2-CG1 3.96Å; L406-I440 HydrophobicContact CG-CD1 3.91Å; L406-I440 HydrophobicContact CG-CG1 3.84Å; L406-I440 WeakPolarHBondContact O-CG1 3.21Å; L406-I440 PolarHBondContact O-N 3.4Å; L406-Y441 PolarHBondContact N-O 3.36Å; L406-Y441 PolarHBondContact O-N 3.13Å; L406-F455 HydrophobicContact CD1-CD1 4.4Å; L406-F455 HydrophobicContact CD1-CE1 4.39Å; L406-F455 HydrophobicContact CD2-CD2 3.82Å; L406-F455 HydrophobicContact CD2-CE2 3.62Å; L406-F455 HydrophobicContact CD2-CG 4.45Å; L406-F455 HydrophobicContact CD2-CZ 4.1Å; L406-F470 HydrophobicContact CD2-CD2 4.46Å; L406-F470 HydrophobicContact CD2-CE2 4Å; L406-F470 HydrophobicContact CD2-CZ 4.34Å
407	I	97.9	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.5	-171.2	-125.9	163.9	0	0	0	111.5	F374 W393 A394 F396 L409 P437 L438 V439	F374-I407 HydrophobicContact CD1-CD1 3.77Å; F374-I407 HydrophobicContact CE1-CD1 3.28Å; F374-I407 HydrophobicContact CZ-CD1 3.88Å; W393-I407 CarbonylContact C-O 3.57Å; W393-I407 WeakPolarHBondContact CA-O 3.31Å; W393-I407 WeakPolarHBondContact CB-O 3.39Å; A394-I407 HydrophobicContact CB-CG2 4.29Å; A394-I407 PolarHBondContact N-O 3.03Å; A394-I407 PolarHBondContact O-N 3.32Å; F396-I407 HydrophobicContact CD2-CD1 4.06Å; F396-I407 HydrophobicContact CD2-CG2 4.45Å; F396-I407 HydrophobicContact CE2-CB 4.27Å; F396-I407 HydrophobicContact CE2-CD1 3.76Å; F396-I407 HydrophobicContact CE2-CG2 3.79Å; F396-I407 HydrophobicContact CZ-CG2 3.98Å; I407-L409 HydrophobicContact CG2-CD1 4.35Å; I407-L409 HydrophobicContact CG2-CD2 3.83Å; I407-L409 HydrophobicContact CG2-CG 3.81Å; I407-P437 HydrophobicContact CD1-CB 4.29Å; I407-L438 CarbonylContact C-O 3.53Å; I407-L438 WeakPolarHBondContact CA-O 3.35Å; I407-L438 WeakPolarHBondContact CG1-O 3.34Å; I407-V439 HydrophobicContact CD1-CG2 3.63Å; I407-V439 HydrophobicContact CG1-CB 4.36Å; I407-V439 HydrophobicContact CG1-CG2 3.69Å
408	L	98.4	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.6	160.8	-52.6	178.3	0	0	0	110.1	T386 Y391 A392 W393 L438 I440 L468 L490	T386-L408 HydrophobicContact CG2-CD2 4.29Å; Y391-L408 HydrophobicContact CD1-CB 3.99Å; Y391-L408 HydrophobicContact CD1-CD1 4.27Å; Y391-L408 HydrophobicContact CD2-CD1 4.02Å; Y391-L408 HydrophobicContact CE2-CD1 4.34Å; Y391-L408 HydrophobicContact CG-CB 4.06Å; Y391-L408 HydrophobicContact CG-CD1 3.99Å; Y391-L408 HydrophobicContact CG-CG 4.46Å; A392-L408 CarbonylContact O-C 3.57Å; A392-L408 WeakPolarHBondContact O-CA 3.02Å; W393-L408 HydrophobicContact CB-CD2 3.93Å; L408-L438 HydrophobicContact CB-CB 4.17Å; L408-L438 HydrophobicContact CD1-CD1 4.37Å; L408-L438 PolarHBondContact N-O 2.83Å; L408-L438 PolarHBondContact O-N 2.74Å; L408-I440 HydrophobicContact CD1-CD1 4.46Å; L408-I440 HydrophobicContact CD1-CG2 3.84Å; L408-I440 HydrophobicContact CD2-CD1 3.79Å; L408-I440 HydrophobicContact CG-CD1 3.94Å; L408-I440 HydrophobicContact CG-CG1 4.3Å; L408-I440 HydrophobicContact CG-CG2 3.89Å; L408-L468 HydrophobicContact CD1-CD2 4.05Å; L408-L468 HydrophobicContact CD2-CD2 4.29Å; L408-L490 HydrophobicContact CD1-CD1 4.35Å; L408-L490 HydrophobicContact CD1-CD2 4.02Å
409	L	98.2	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108	176.8	-59.2	175.1	0	0	0	108.4	L345 F374 A392 I407 L413 F414 P437	L345-L409 HydrophobicContact CD1-CD1 3.54Å; F374-L409 HydrophobicContact CE2-CD2 4.41Å; F374-L409 HydrophobicContact CZ-CD2 3.96Å; A392-L409 HydrophobicContact CB-CB 4.26Å; A392-L409 PolarHBondContact N-O 2.75Å; A392-L409 PolarHBondContact O-N 3.48Å; I407-L409 HydrophobicContact CG2-CD1 4.35Å; I407-L409 HydrophobicContact CG2-CD2 3.83Å; I407-L409 HydrophobicContact CG2-CG 3.81Å; L409-L413 HydrophobicContact CD2-CD2 4.05Å; L409-F414 HydrophobicContact CB-CE2 4.07Å; L409-F414 HydrophobicContact CB-CZ 4.3Å; L409-F414 HydrophobicContact CD1-CZ 4.19Å; L409-P437 HydrophobicContact CD2-CB 4.22Å
410	P	96.8	Very high	97	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.104	17%	0.166	C	C	.	.			trans	-66.1	140.2	175.9	-15.3	28.1	0	0	0	110.5	Y391 A412 L413 V435 Q436	Y391-P410 HydrophobicContact CD1-CB 4.19Å; Y391-P410 HydrophobicContact CD1-CG 3.97Å; Y391-P410 HydrophobicContact CE1-CB 4.31Å; Y391-P410 HydrophobicContact CE1-CG 3.97Å; P410-A412 PolarHBondContact O-N 3.24Å; P410-A412 VanDerWaalsContact O-N 3.07Å; P410-L413 VanDerWaalsContact O-CB 3.22Å; P410-L413 WeakPolarHBondContact O-CB 3.29Å; P410-L413 PolarHBondContact O-N 3.39Å; P410-V435 HydrophobicContact CB-CG1 4.08Å; P410-V435 HydrophobicContact CG-CG1 4.15Å; P410-Q436 WeakPolarHBondContact CD-O 3.42Å; P410-Q436 VanDerWaalsContact CG-O 3.28Å; P410-Q436 WeakPolarHBondContact CG-O 3.48Å
411	P	96.9	Very high	96.7	Very high	21 Å²	21	33.8 Å²	33.8	14%	0.136	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-56.3	-26.8	177	-30.3	38	0	0	0	114.7	L347 W385 K390 L413 F414	L347-P411 HydrophobicContact CD2-CB 4.2Å; W385-P411 HydrophobicContact CH2-CG 4.14Å; W385-P411 HydrophobicContact CZ3-CG 3.81Å; K390-P411 WeakPolarHBondContact O-CD 3.38Å; P411-L413 PolarHBondContact O-N 3.12Å; P411-F414 PolarHBondContact O-N 2.76Å
412	A	96.3	Very high	96.4	Very high	51 Å²	51	41.8 Å²	41.8	42%	0.421	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-71.6	-12.4	176.1	0	0	0	0	0	114.3	P410 F414 V435	P410-A412 PolarHBondContact O-N 3.24Å; P410-A412 VanDerWaalsContact O-N 3.07Å; A412-F414 PolarHBondContact O-N 3.02Å; A412-V435 HydrophobicContact CB-CG1 4.06Å; A412-V435 HydrophobicContact CB-CG2 4.07Å
413	L	97.2	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-74.5	-13.7	173	-167.4	68.8	0	0	0	112.1	L366 V367 L409 P410 P411 V435 P437 W497	L366-L413 HydrophobicContact CD2-CD2 3.78Å; L366-L413 HydrophobicContact CD2-CG 4.05Å; V367-L413 HydrophobicContact CG1-CD1 3.8Å; V367-L413 HydrophobicContact CG1-CG 4.43Å; V367-L413 PolarHBondContact N-O 2.76Å; L409-L413 HydrophobicContact CD2-CD2 4.05Å; P410-L413 VanDerWaalsContact O-CB 3.22Å; P410-L413 WeakPolarHBondContact O-CB 3.29Å; P410-L413 PolarHBondContact O-N 3.39Å; P411-L413 PolarHBondContact O-N 3.12Å; L413-V435 HydrophobicContact CB-CG1 4.06Å; L413-V435 HydrophobicContact CD1-CG1 4.27Å; L413-P437 HydrophobicContact CD2-CG 3.84Å; L413-W497 HydrophobicContact CD1-CZ2 4.1Å
414	F	98.1	Very high	96	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.5	179.8	-61.1	-94.6	0	0	0	110.6	L304 L345 L347 K364 E365 L366 L409 P411 A412	L304-F414 HydrophobicContact CD1-CE1 4.44Å; L304-F414 HydrophobicContact CD1-CZ 3.9Å; L345-F414 HydrophobicContact CB-CE1 4.5Å; L347-F414 HydrophobicContact CB-CB 3.93Å; L347-F414 HydrophobicContact CB-CD1 3.68Å; L347-F414 HydrophobicContact CB-CD2 4.19Å; L347-F414 HydrophobicContact CB-CE1 4.19Å; L347-F414 HydrophobicContact CB-CG 3.67Å; L347-F414 HydrophobicContact CD2-CB 3.89Å; L347-F414 HydrophobicContact CD2-CD2 3.88Å; L347-F414 HydrophobicContact CD2-CG 3.96Å; L347-F414 HydrophobicContact CG-CG 4.45Å; K364-F414 HydrophobicContact CB-CB 3.9Å; E365-F414 CarbonylContact O-C 3.56Å; E365-F414 WeakPolarHBondContact O-CA 3.45Å; L366-F414 HydrophobicContact CD2-CD1 4Å; L366-F414 HydrophobicContact CD2-CE1 3.58Å; L366-F414 HydrophobicContact CD2-CE2 4.28Å; L366-F414 HydrophobicContact CD2-CZ 3.74Å; L366-F414 HydrophobicContact CG-CD1 4.21Å; L366-F414 HydrophobicContact CG-CE1 3.86Å; L366-F414 HydrophobicContact CG-CZ 4.47Å; L409-F414 HydrophobicContact CB-CE2 4.07Å; L409-F414 HydrophobicContact CB-CZ 4.3Å; L409-F414 HydrophobicContact CD1-CZ 4.19Å; P411-F414 PolarHBondContact O-N 2.76Å; A412-F414 PolarHBondContact O-N 3.02Å
415	I	97.6	Very high	95.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	153.5	174.6	58.2	169.2	0	0	0	110.7	K364 E365 V367 V417 R424 F427 V431	K364-I415 CarbonylContact C-O 3.56Å; K364-I415 WeakPolarHBondContact CA-O 3.32Å; K364-I415 WeakPolarHBondContact CB-O 3.31Å; E365-I415 HydrophobicContact CG-CG1 4.34Å; E365-I415 PolarHBondContact N-O 3.47Å; E365-I415 PolarHBondContact O-N 3.4Å; V367-I415 HydrophobicContact CB-CG1 4.49Å; V367-I415 HydrophobicContact CB-CG2 4.15Å; V367-I415 HydrophobicContact CG2-CD1 4.31Å; V367-I415 HydrophobicContact CG2-CG2 4.04Å; I415-V417 PolarHBondContact O-N 2.95Å; I415-R424 HydrophobicContact CD1-CG 4.29Å; I415-F427 HydrophobicContact CB-CB 3.96Å; I415-F427 HydrophobicContact CD1-CB 4.21Å; I415-F427 HydrophobicContact CG2-CB 4.05Å; I415-V431 HydrophobicContact CG2-CG2 3.51Å
416	P	97	Very high	95.6	Very high	24 Å²	24	49.3 Å²	49.3	16%	0.156	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	141.2	170.6	-20.1	32.1	0	0	0	111.3	Q362 P418 F427	Q362-P416 HydrophobicContact CG-CB 4.11Å; P416-P418 WeakPolarHBondContact O-CD 3.4Å; P416-F427 HydrophobicContact CB-CD2 4.1Å; P416-F427 HydrophobicContact CB-CE2 3.67Å; P416-F427 HydrophobicContact CB-CZ 4.1Å; P416-F427 HydrophobicContact CG-CD2 4.26Å; P416-F427 HydrophobicContact CG-CE2 4.1Å; P416-F427 HydrophobicContact CG-CZ 4.27Å; P416-F427 VanDerWaalsContact O-CD2 3.28Å; P416-F427 WeakPolarHBondContact O-CD2 3.18Å; P416-F427 WeakPolarHBondContact O-CE2 3.08Å
417	V	95.2	Very high	95.5	Very high	61 Å²	61	51.1 Å²	51.1	37%	0.37	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-58.7	120.2	176.8	177.9	0	0	0	0	109.3	D363 E365 I415	D363-V417 HydrophobicContact CB-CG2 4.16Å; D363-V417 PolarHBondContact O-N 3.46Å; D363-V417 VanDerWaalsContact O-N 3.14Å; E365-V417 HydrophobicContact CB-CG2 4.27Å; E365-V417 HydrophobicContact CG-CG2 4.12Å; I415-V417 PolarHBondContact O-N 2.95Å
418	P	93.2	Very high	95.3	Very high	24 Å²	24	51.4 Å²	51.4	16%	0.156	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-89.4	145.6	-173	34.2	-32	0	0	0	112.1	E365 P416 Q423 R424 F427	E365-P418 WeakPolarHBondContact OE1-CD 3.32Å; P416-P418 WeakPolarHBondContact O-CD 3.4Å; P418-Q423 HydrophobicContact CB-CB 4.25Å; P418-Q423 HydrophobicContact CB-CG 4.42Å; P418-R424 HydrophobicContact CB-CB 3.96Å; P418-R424 HydrophobicContact CG-CB 3.73Å; P418-R424 HydrophobicContact CG-CG 4.18Å; P418-F427 HydrophobicContact CB-CD2 4.28Å; P418-F427 HydrophobicContact CB-CE2 4.3Å
419	E	92.4	Very high	95.1	Very high	188 Å²	188	58.2 Å²	58.2	88%	0.879	30%	0.298	S	S	*	.	S	Bend	trans	-83.2	-15.6	173.9	-60.7	-177.4	-178.8	0	0	112.5
420	S	94	Very high	94.9	Very high	52 Å²	52	63.1 Å²	63.1	36%	0.364	33%	0.329	S	S	.	.	S	Bend	trans	-151.6	160	178.5	78.1	0	0	0	0	113.2	E422 Q423 R424	S420-E422 PolarHBondContact O-N 3.32Å; S420-E422 PolarHBondContact OG-N 3.26Å; S420-Q423 PolarHBondContact O-N 2.92Å; S420-Q423 PolarHBondContact OG-N 3.43Å; S420-R424 PolarHBondContact O-N 3.35Å
421	E	90.9	Very high	94.9	Very high	146 Å²	146	63 Å²	63	68%	0.682	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-30.6	173.6	-63.8	-62.9	166.5	0	0	112.8	R424 A425	E421-R424 PolarHBondContact O-N 2.99Å; E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.26Å; E421-A425 PolarHBondContact O-N 3.04Å
422	E	93.3	Very high	94.8	Very high	168 Å²	168	64.9 Å²	64.9	79%	0.785	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-43.1	175.3	-61.9	179.7	163.3	0	0	110.8	S420 A425 E426	S420-E422 PolarHBondContact O-N 3.32Å; S420-E422 PolarHBondContact OG-N 3.26Å; E422-A425 PolarHBondContact O-N 2.98Å; E422-E426 PolarHBondContact O-N 2.97Å
423	Q	94.1	Very high	94.6	Very high	57 Å²	57	67.9 Å²	67.9	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-71	-38.2	176.5	-167	-176.6	34.9	0	0	111.8	P418 S420 A425 E426 F427	P418-Q423 HydrophobicContact CB-CB 4.25Å; P418-Q423 HydrophobicContact CB-CG 4.42Å; S420-Q423 PolarHBondContact O-N 2.92Å; S420-Q423 PolarHBondContact OG-N 3.43Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.25Å; Q423-E426 WeakPolarHBondContact O-CB 3.44Å; Q423-E426 PolarHBondContact O-N 2.97Å; Q423-E426 VanDerWaalsContact O-N 3.11Å; Q423-F427 HydrophobicContact CG-CD2 4.18Å; Q423-F427 HydrophobicContact CG-CE1 4.02Å; Q423-F427 HydrophobicContact CG-CE2 3.6Å; Q423-F427 HydrophobicContact CG-CZ 3.52Å; Q423-F427 WeakPolarHBondContact O-CG 3.3Å; Q423-F427 PolarHBondContact O-N 3.11Å
424	R	94.3	Very high	94.4	Very high	62 Å²	62	71.3 Å²	71.3	23%	0.234	36%	0.364	C	S	.	.	H	α-helix	trans	-57	-47	170.9	-177.1	174.1	-92	-134.3	1.3	110.9	E365 I415 P418 S420 E421 E426 F427 A428	E365-R424 IonicContact OE1-CZ 3.22Å; E365-R424 IonicContact OE1-NE 3.24Å; E365-R424 IonicContact OE1-NH2 2.71Å; E365-R424 PolarHBondContact OE1-NH2 3.18Å; E365-R424 IonicContact OE2-NH2 2.89Å; I415-R424 HydrophobicContact CD1-CG 4.29Å; P418-R424 HydrophobicContact CB-CB 3.96Å; P418-R424 HydrophobicContact CG-CB 3.73Å; P418-R424 HydrophobicContact CG-CG 4.18Å; S420-R424 PolarHBondContact O-N 3.35Å; E421-R424 PolarHBondContact O-N 2.99Å; R424-E426 VanDerWaalsContact C-N 3.27Å; R424-E426 PolarHBondContact O-N 2.87Å; R424-F427 PolarHBondContact O-N 2.8Å; R424-A428 VanDerWaalsContact O-CB 3.3Å; R424-A428 WeakPolarHBondContact O-CB 3.41Å; R424-A428 PolarHBondContact O-N 3.13Å
425	A	92.9	Very high	94.2	Very high	30 Å²	30	72 Å²	72	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-71.5	-16	177	0	0	0	0	0	113.7	E421 E422 Q423 K429 V498	E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.26Å; E421-A425 PolarHBondContact O-N 3.04Å; E422-A425 PolarHBondContact O-N 2.98Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.25Å; A425-K429 VanDerWaalsContact O-CD 3.28Å; A425-K429 WeakPolarHBondContact O-CD 3.37Å; A425-K429 WeakPolarHBondContact O-CE 3.4Å; A425-K429 VanDerWaalsContact O-CG 3.31Å; A425-K429 WeakPolarHBondContact O-CG 3.48Å; A425-K429 PolarHBondContact O-NZ 3.12Å; A425-V498 HydrophobicContact CB-CG1 4.24Å
426	E	95.2	Very high	94.1	Very high	124 Å²	124	72.2 Å²	72.2	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-79.6	-50.2	167.6	-175.1	172.8	-163.2	0	0	110.6	E422 Q423 R424 A428 K429	E422-E426 PolarHBondContact O-N 2.97Å; Q423-E426 WeakPolarHBondContact O-CB 3.44Å; Q423-E426 PolarHBondContact O-N 2.97Å; Q423-E426 VanDerWaalsContact O-N 3.11Å; R424-E426 VanDerWaalsContact C-N 3.27Å; R424-E426 PolarHBondContact O-N 2.87Å; E426-A428 PolarHBondContact O-N 2.92Å; E426-K429 WeakPolarHBondContact O-CB 3.49Å; E426-K429 PolarHBondContact O-N 3.17Å
427	F	95.4	Very high	94.1	Very high	40 Å²	40	71.1 Å²	71.1	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-40.3	178.9	-62.5	-23.6	0	0	0	112.7	I415 P416 P418 Q423 R424 K429 T430	I415-F427 HydrophobicContact CB-CB 3.96Å; I415-F427 HydrophobicContact CD1-CB 4.21Å; I415-F427 HydrophobicContact CG2-CB 4.05Å; P416-F427 HydrophobicContact CB-CD2 4.1Å; P416-F427 HydrophobicContact CB-CE2 3.67Å; P416-F427 HydrophobicContact CB-CZ 4.1Å; P416-F427 HydrophobicContact CG-CD2 4.26Å; P416-F427 HydrophobicContact CG-CE2 4.1Å; P416-F427 HydrophobicContact CG-CZ 4.27Å; P416-F427 VanDerWaalsContact O-CD2 3.28Å; P416-F427 WeakPolarHBondContact O-CD2 3.18Å; P416-F427 WeakPolarHBondContact O-CE2 3.08Å; P418-F427 HydrophobicContact CB-CD2 4.28Å; P418-F427 HydrophobicContact CB-CE2 4.3Å; Q423-F427 HydrophobicContact CG-CD2 4.18Å; Q423-F427 HydrophobicContact CG-CE1 4.02Å; Q423-F427 HydrophobicContact CG-CE2 3.6Å; Q423-F427 HydrophobicContact CG-CZ 3.52Å; Q423-F427 WeakPolarHBondContact O-CG 3.3Å; Q423-F427 PolarHBondContact O-N 3.11Å; R424-F427 PolarHBondContact O-N 2.8Å; F427-K429 PolarHBondContact O-N 3.28Å; F427-T430 WeakPolarHBondContact O-CB 3.23Å; F427-T430 PolarHBondContact O-N 3.36Å; F427-T430 PolarHBondContact O-OG1 2.64Å
428	A	94.1	Very high	94.2	Very high	5 Å²	5	68.6 Å²	68.6	4%	0.041	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58	-34.6	176.5	0	0	0	0	0	113	V367 R424 E426 T430 V431 V498	V367-A428 HydrophobicContact CG2-CB 3.87Å; R424-A428 VanDerWaalsContact O-CB 3.3Å; R424-A428 WeakPolarHBondContact O-CB 3.41Å; R424-A428 PolarHBondContact O-N 3.13Å; E426-A428 PolarHBondContact O-N 2.92Å; A428-T430 PolarHBondContact O-N 2.85Å; A428-V431 PolarHBondContact O-N 3.34Å; A428-V498 HydrophobicContact CB-CG2 4.25Å
429	K	94.8	Very high	94.4	Very high	143 Å²	143	67.8 Å²	67.8	62%	0.622	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-68.5	-15.2	174.8	-67.5	168.4	-171.1	123.5	0	113.6	A425 E426 F427 V498	A425-K429 VanDerWaalsContact O-CD 3.28Å; A425-K429 WeakPolarHBondContact O-CD 3.37Å; A425-K429 WeakPolarHBondContact O-CE 3.4Å; A425-K429 VanDerWaalsContact O-CG 3.31Å; A425-K429 WeakPolarHBondContact O-CG 3.48Å; A425-K429 PolarHBondContact O-NZ 3.12Å; E426-K429 WeakPolarHBondContact O-CB 3.49Å; E426-K429 PolarHBondContact O-N 3.17Å; F427-K429 PolarHBondContact O-N 3.28Å; K429-V498 HydrophobicContact CB-CG2 4.43Å; K429-V498 HydrophobicContact CG-CG2 3.44Å; K429-V498 VanDerWaalsContact CG-CG2 3.44Å
430	T	94.3	Very high	94.7	Very high	104 Å²	104	58.9 Å²	58.9	64%	0.638	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-90.1	-11.6	176.6	72.7	0	0	0	0	113	F427 A428 P432	F427-T430 WeakPolarHBondContact O-CB 3.23Å; F427-T430 PolarHBondContact O-N 3.36Å; F427-T430 PolarHBondContact O-OG1 2.64Å; A428-T430 PolarHBondContact O-N 2.85Å; T430-P432 WeakPolarHBondContact O-CD 3.27Å
431	V	95.9	Very high	94.8	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	28%	0.283	C	S	.	.	S	Bend	trans	-78.4	119.7	171.6	-175.8	0	0	0	0	108.3	V367 I415 A428 V435 W497	V367-V431 HydrophobicContact CB-CG2 4.27Å; V367-V431 HydrophobicContact CG2-CG2 3.93Å; I415-V431 HydrophobicContact CG2-CG2 3.51Å; A428-V431 PolarHBondContact O-N 3.34Å; V431-V435 HydrophobicContact CG1-CB 4.07Å; V431-V435 HydrophobicContact CG1-CG1 4.07Å; V431-W497 HydrophobicContact CG1-CG 4.31Å
432	P	95.1	Very high	95.1	Very high	62 Å²	62	52.4 Å²	52.4	40%	0.403	26%	0.263	S	S	.	.			trans	-61.8	140.1	177.5	-22.7	34.2	0	0	0	111.6	T430 N434 V435	T430-P432 WeakPolarHBondContact O-CD 3.27Å; P432-N434 VanDerWaalsContact CB-OD1 3.23Å; P432-N434 WeakPolarHBondContact CB-OD1 3.39Å; P432-N434 PolarHBondContact O-N 2.86Å; P432-V435 HydrophobicContact CB-CG2 4.1Å; P432-V435 HydrophobicContact CG-CG2 4.13Å; P432-V435 WeakPolarHBondContact O-CB 3.34Å; P432-V435 PolarHBondContact O-N 2.86Å
433	E	92.5	Very high	95.3	Very high	114 Å²	114	44.8 Å²	44.8	53%	0.533	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.8	-176.3	-62.5	-179	-154.4	0	0	114	S494 Y495	E433-S494 WeakPolarHBondContact CB-OG 3.43Å; E433-S494 WeakPolarHBondContact O-CA 3.24Å; E433-S494 PolarHBondContact OE2-OG 3.05Å; E433-Y495 PolarHBondContact O-N 2.9Å
434	N	91.3	Very high	95.4	Very high	72 Å²	72	46.3 Å²	46.3	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.8	179.7	68.8	-39.5	0	0	0	114.3	P432 Q492 G493	P432-N434 VanDerWaalsContact CB-OD1 3.23Å; P432-N434 WeakPolarHBondContact CB-OD1 3.39Å; P432-N434 PolarHBondContact O-N 2.86Å; N434-Q492 HydrophobicContact CB-CB 4.25Å; N434-Q492 PolarHBondContact ND2-OE1 2.88Å; N434-G493 WeakPolarHBondContact CA-O 3.42Å
435	V	94.8	Very high	95.6	Very high	21 Å²	21	44.2 Å²	44.2	13%	0.127	24%	0.235	C	C	.	.			trans	-81.4	123.9	170.5	171.5	0	0	0	0	108.9	P410 A412 L413 V431 P432 W497	P410-V435 HydrophobicContact CB-CG1 4.08Å; P410-V435 HydrophobicContact CG-CG1 4.15Å; A412-V435 HydrophobicContact CB-CG1 4.06Å; A412-V435 HydrophobicContact CB-CG2 4.07Å; L413-V435 HydrophobicContact CB-CG1 4.06Å; L413-V435 HydrophobicContact CD1-CG1 4.27Å; V431-V435 HydrophobicContact CG1-CB 4.07Å; V431-V435 HydrophobicContact CG1-CG1 4.07Å; P432-V435 HydrophobicContact CB-CG2 4.1Å; P432-V435 HydrophobicContact CG-CG2 4.13Å; P432-V435 WeakPolarHBondContact O-CB 3.34Å; P432-V435 PolarHBondContact O-N 2.86Å; V435-W497 WeakPolarHBondContact O-CZ2 3.26Å; V435-W497 PolarHBondContact O-NE1 2.78Å
436	Q	95.7	Very high	95.8	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.037	26%	0.258	C	S	.	.			trans	-151.7	164.2	-178.6	54.1	166.3	-3.6	0	0	110.1	P410 L438 K491 Y495 W497 F508	P410-Q436 WeakPolarHBondContact CD-O 3.42Å; P410-Q436 VanDerWaalsContact CG-O 3.28Å; P410-Q436 WeakPolarHBondContact CG-O 3.48Å; Q436-L438 HydrophobicContact CG-CD2 3.96Å; Q436-L438 VanDerWaalsContact NE2-CD2 3.3Å; Q436-K491 PolarHBondContact NE2-O 3.15Å; Q436-Y495 HydrophobicContact CB-CD2 4.23Å; Q436-Y495 HydrophobicContact CB-CE2 3.94Å; Q436-Y495 HydrophobicContact CG-CE2 4.4Å; Q436-Y495 PolarHBondContact OE1-OH 2.95Å; Q436-W497 HydrophobicContact CB-CZ2 4.17Å; Q436-F508 HydrophobicContact CB-CD1 4.07Å; Q436-F508 HydrophobicContact CB-CE1 4.19Å
437	P	97.1	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.			trans	-54.3	154.2	154.4	-18.2	29.8	0	0	0	111.4	L373 F374 I407 L409 L413 F508	L373-P437 HydrophobicContact CD2-CG 4.35Å; F374-P437 HydrophobicContact CE1-CB 3.76Å; F374-P437 HydrophobicContact CE1-CG 3.83Å; F374-P437 HydrophobicContact CZ-CB 3.78Å; F374-P437 HydrophobicContact CZ-CG 3.63Å; I407-P437 HydrophobicContact CD1-CB 4.29Å; L409-P437 HydrophobicContact CD2-CB 4.22Å; L413-P437 HydrophobicContact CD2-CG 3.84Å; P437-F508 HydrophobicContact CB-CB 4.18Å; P437-F508 HydrophobicContact CB-CD1 4.16Å; P437-F508 HydrophobicContact CB-CD2 3.9Å; P437-F508 HydrophobicContact CB-CE2 4.31Å; P437-F508 HydrophobicContact CB-CG 3.8Å; P437-F508 HydrophobicContact CG-CD1 4.14Å; P437-F508 HydrophobicContact CG-CD2 3.97Å; P437-F508 HydrophobicContact CG-CE1 4.08Å; P437-F508 HydrophobicContact CG-CE2 3.86Å; P437-F508 HydrophobicContact CG-CG 4.1Å; P437-F508 HydrophobicContact CG-CZ 3.92Å; P437-F508 WeakPolarHBondContact O-CB 3.43Å
438	L	97.2	Very high	96.1	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	107.4	176.5	-62.2	166.4	0	0	0	109.3	Y391 I407 L408 Q436 I440 L490	Y391-L438 HydrophobicContact CE1-CD1 3.98Å; I407-L438 CarbonylContact C-O 3.53Å; I407-L438 WeakPolarHBondContact CA-O 3.35Å; I407-L438 WeakPolarHBondContact CG1-O 3.34Å; L408-L438 HydrophobicContact CB-CB 4.17Å; L408-L438 HydrophobicContact CD1-CD1 4.37Å; L408-L438 PolarHBondContact N-O 2.83Å; L408-L438 PolarHBondContact O-N 2.74Å; Q436-L438 HydrophobicContact CG-CD2 3.96Å; Q436-L438 VanDerWaalsContact NE2-CD2 3.3Å; L438-I440 HydrophobicContact CB-CG2 4.37Å; L438-I440 PolarHBondContact O-N 3.18Å; L438-L490 HydrophobicContact CD1-CB 4.24Å; L438-L490 HydrophobicContact CD1-CD2 4.31Å
439	V	97.4	Very high	96.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	96.8	174.1	-179.5	0	0	0	0	108	Q405 L406 I407 F508 C510	Q405-V439 HydrophobicContact CB-CG1 4.26Å; Q405-V439 HydrophobicContact CG-CG1 4.28Å; L406-V439 CarbonylContact O-C 3.57Å; I407-V439 HydrophobicContact CD1-CG2 3.63Å; I407-V439 HydrophobicContact CG1-CB 4.36Å; I407-V439 HydrophobicContact CG1-CG2 3.69Å; V439-F508 HydrophobicContact CG2-CB 4.14Å; V439-F508 PolarHBondContact N-O 3.02Å; V439-C510 VanDerWaalsContact O-CB 3.28Å; V439-C510 WeakPolarHBondContact O-CB 3.3Å; V439-C510 PolarHBondContact O-N 3.44Å
440	I	97.8	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-14.1	-175.2	56.6	163.6	0	0	0	113.8	L406 L408 L438 F455 L468 F470 A488 L490 C510 I512	L406-I440 HydrophobicContact CB-CG1 4.32Å; L406-I440 HydrophobicContact CD2-CD1 3.74Å; L406-I440 HydrophobicContact CD2-CG1 3.96Å; L406-I440 HydrophobicContact CG-CD1 3.91Å; L406-I440 HydrophobicContact CG-CG1 3.84Å; L406-I440 WeakPolarHBondContact O-CG1 3.21Å; L406-I440 PolarHBondContact O-N 3.4Å; L408-I440 HydrophobicContact CD1-CD1 4.46Å; L408-I440 HydrophobicContact CD1-CG2 3.84Å; L408-I440 HydrophobicContact CD2-CD1 3.79Å; L408-I440 HydrophobicContact CG-CD1 3.94Å; L408-I440 HydrophobicContact CG-CG1 4.3Å; L408-I440 HydrophobicContact CG-CG2 3.89Å; L438-I440 HydrophobicContact CB-CG2 4.37Å; L438-I440 PolarHBondContact O-N 3.18Å; I440-F455 HydrophobicContact CD1-CZ 4.31Å; I440-L468 HydrophobicContact CD1-CD2 3.66Å; I440-F470 HydrophobicContact CB-CE1 4.31Å; I440-F470 HydrophobicContact CD1-CD1 4.37Å; I440-F470 HydrophobicContact CD1-CE1 4.04Å; I440-F470 HydrophobicContact CD1-CZ 4.39Å; I440-F470 HydrophobicContact CG1-CE1 4.48Å; I440-A488 HydrophobicContact CB-CB 4.04Å; I440-A488 HydrophobicContact CG2-CB 4.29Å; I440-L490 HydrophobicContact CG2-CD2 3.63Å; I440-C510 HydrophobicContact CG2-CB 4.48Å; I440-I512 VanDerWaalsContact O-CD1 3.31Å; I440-I512 WeakPolarHBondContact O-CD1 3.43Å
441	Y	97.8	Very high	96.6	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	148.3	170.8	-156.4	-114.7	0	0	0	110.4	L406 E443 F470 R472 K477 V486 I512 E515	L406-Y441 PolarHBondContact N-O 3.36Å; L406-Y441 PolarHBondContact O-N 3.13Å; Y441-E443 HydrophobicContact CE1-CB 4.21Å; Y441-E443 WeakPolarHBondContact CE1-OE2 3.27Å; Y441-F470 HydrophobicContact CD2-CE2 4.44Å; Y441-F470 HydrophobicContact CD2-CZ 4.2Å; Y441-F470 HydrophobicContact CG-CE2 4.44Å; Y441-F470 HydrophobicContact CG-CZ 4.36Å; Y441-R472 HydrophobicContact CD1-CG 4.38Å; Y441-R472 HydrophobicContact CE1-CG 4.33Å; Y441-K477 WeakPolarHBondContact OH-CE 3.46Å; Y441-V486 HydrophobicContact CD2-CG1 3.94Å; Y441-V486 HydrophobicContact CD2-CG2 4.2Å; Y441-V486 HydrophobicContact CE2-CG1 4.06Å; Y441-V486 HydrophobicContact CE2-CG2 3.79Å; Y441-I512 HydrophobicContact CD2-CD1 4.37Å; Y441-E515 PolarHBondContact OH-OE1 2.94Å
442	E	96.9	Very high	96.5	Very high	55 Å²	55	32.1 Å²	32.1	26%	0.257	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.8	174	-178.6	173.7	75.5	0	0	108.6	R403 L404 Q405 K509	R403-E442 HydrophobicContact CG-CG 4.38Å; R403-E442 IonicContact NH1-OE2 2.85Å; L404-E442 WeakPolarHBondContact O-CA 3.19Å; Q405-E442 HydrophobicContact CG-CB 4.48Å; Q405-E442 HydrophobicContact CG-CG 4.09Å; Q405-E442 PolarHBondContact NE2-OE2 2.73Å; E442-K509 WeakPolarHBondContact OE1-CE 3.19Å; E442-K509 IonicContact OE1-NZ 2.88Å; E442-K509 PolarHBondContact OE1-NZ 3.06Å; E442-K509 IonicContact OE2-NZ 3.54Å
443	E	96.2	Very high	96.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.7	178	59	-168.2	-170	0	0	110.4	R403 L404 Y441 I449 R472 N474	R403-E443 WeakPolarHBondContact CA-O 3.41Å; L404-E443 HydrophobicContact CB-CG 3.76Å; L404-E443 HydrophobicContact CD2-CG 4.04Å; L404-E443 HydrophobicContact CG-CG 4.42Å; L404-E443 PolarHBondContact N-O 2.67Å; L404-E443 PolarHBondContact O-N 2.95Å; Y441-E443 HydrophobicContact CE1-CB 4.21Å; Y441-E443 WeakPolarHBondContact CE1-OE2 3.27Å; E443-I449 HydrophobicContact CG-CD1 4.25Å; E443-R472 IonicContact OE1-CZ 2.64Å; E443-R472 IonicContact OE1-NE 2.67Å; E443-R472 IonicContact OE1-NH2 3.75Å; E443-R472 PolarHBondContact OE1-NH2 2.84Å; E443-N474 WeakPolarHBondContact CB-ND2 3.48Å; E443-N474 PolarHBondContact OE2-ND2 2.63Å
444	T	97.6	Very high	96.5	Very high	89 Å²	89	27.1 Å²	27.1	55%	0.546	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152	-177.7	53.1	0	0	0	0	111.5	Q402 R403 C476	Q402-T444 VanDerWaalsContact O-CA 3.23Å; Q402-T444 WeakPolarHBondContact O-CA 3.5Å; R403-T444 HydrophobicContact CB-CG2 3.99Å; R403-T444 HydrophobicContact CG-CG2 3.83Å; T444-C476 WeakPolarHBondContact O-CB 3.37Å
445	T	98.2	Very high	96.8	Very high	19 Å²	19	24.8 Å²	24.8	12%	0.117	13%	0.134	C	C	.	.			trans	-150.8	149.5	-178.5	179	0	0	0	0	112.4	Q402 V447 W448 I449	Q402-T445 PolarHBondContact O-N 2.87Å; T445-V447 VanDerWaalsContact C-N 3.29Å; T445-V447 PolarHBondContact OG1-N 2.98Å; T445-W448 VanDerWaalsContact CG2-C 3.43Å; T445-I449 HydrophobicContact CG2-CD1 3.67Å; T445-I449 HydrophobicContact CG2-CG1 4.17Å
446	D	97.2	Very high	97	Very high	136 Å²	136	26.1 Å²	26.1	73%	0.727	14%	0.138	S	C	*	.	S	Bend	trans	-80.7	-5.1	170.1	62.3	-29.1	0	0	0	113.4	K723	D446-K723 PolarHBondContact O-NZ 3.06Å
447	V	98.1	Very high	97.1	Very high	22 Å²	22	26.2 Å²	26.2	13%	0.133	14%	0.139	C	C	.	.	S	Bend	trans	-103	-96.7	175.8	-171.4	0	0	0	0	110.4	T445 L716 G720 K723	T445-V447 VanDerWaalsContact C-N 3.29Å; T445-V447 PolarHBondContact OG1-N 2.98Å; V447-L716 HydrophobicContact CB-CD1 3.96Å; V447-L716 HydrophobicContact CB-CD2 3.99Å; V447-L716 HydrophobicContact CB-CG 3.77Å; V447-L716 HydrophobicContact CG1-CD1 3.61Å; V447-L716 HydrophobicContact CG1-CG 3.83Å; V447-L716 HydrophobicContact CG2-CD2 4.44Å; V447-L716 HydrophobicContact CG2-CG 4.16Å; V447-G720 VanDerWaalsContact CG1-CA 3.49Å; V447-K723 PolarHBondContact O-NZ 2.92Å
448	W	98.4	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.144	C	C	.	.			trans	-161.7	157.7	173.8	50.3	69.6	0	0	0	111.2	Q401 T445 L716 E719 K723 R798 Y799	Q401-W448 CarbonylContact O-C 3.55Å; Q401-W448 WeakPolarHBondContact O-CA 3.38Å; T445-W448 VanDerWaalsContact CG2-C 3.43Å; W448-L716 HydrophobicContact CG-CD1 4.34Å; W448-E719 WeakPolarHBondContact CH2-O 3.38Å; W448-E719 HydrophobicContact CZ2-CB 4.03Å; W448-E719 HydrophobicContact CZ2-CG 3.89Å; W448-E719 PolarHBondContact NE1-OE2 3.35Å; W448-K723 HydrophobicContact CE3-CB 4.42Å; W448-K723 HydrophobicContact CE3-CD 4.46Å; W448-K723 HydrophobicContact CZ3-CB 3.71Å; W448-K723 HydrophobicContact CZ3-CG 4.22Å; W448-R798 HydrophobicContact CB-CG 3.78Å; W448-R798 HydrophobicContact CD2-CG 4.5Å; W448-R798 HydrophobicContact CG-CG 4.03Å; W448-Y799 AromaticContact CD2-CD1 3.8Å; W448-Y799 HydrophobicContact CD2-CD1 3.8Å; W448-Y799 HydrophobicContact CD2-CE1 4.08Å; W448-Y799 AromaticContact CE2-CD1 3.78Å; W448-Y799 AromaticContact CE2-CE1 3.76Å; W448-Y799 AromaticContact CE3-CD1 3.74Å; W448-Y799 HydrophobicContact CE3-CD1 3.74Å; W448-Y799 HydrophobicContact CE3-CE1 4.48Å; W448-Y799 AromaticContact CH2-CD1 3.66Å; W448-Y799 HydrophobicContact CH2-CD1 3.66Å; W448-Y799 HydrophobicContact CH2-CE1 4.3Å; W448-Y799 AromaticContact CZ2-CD1 3.73Å; W448-Y799 HydrophobicContact CZ2-CD1 3.73Å; W448-Y799 AromaticContact CZ2-CE1 3.9Å; W448-Y799 HydrophobicContact CZ2-CE1 3.9Å; W448-Y799 AromaticContact CZ3-CD1 3.67Å; W448-Y799 HydrophobicContact CZ3-CD1 3.67Å; W448-Y799 HydrophobicContact CZ3-CG 4.49Å
449	I	98.6	Very high	96.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.163	C	C	.	.			trans	-84.9	113.4	175.2	-57.1	-64.7	0	0	0	110.7	L397 Q401 L404 E443 T445 V451 C476	L397-I449 HydrophobicContact CD2-CB 3.83Å; L397-I449 HydrophobicContact CD2-CG1 3.91Å; L397-I449 HydrophobicContact CD2-CG2 4Å; Q401-I449 WeakPolarHBondContact O-CG1 3.25Å; Q401-I449 PolarHBondContact O-N 2.86Å; L404-I449 HydrophobicContact CB-CD1 4.41Å; L404-I449 HydrophobicContact CB-CG1 4.22Å; L404-I449 HydrophobicContact CB-CG2 4.09Å; L404-I449 HydrophobicContact CD1-CG2 3.81Å; E443-I449 HydrophobicContact CG-CD1 4.25Å; T445-I449 HydrophobicContact CG2-CD1 3.67Å; T445-I449 HydrophobicContact CG2-CG1 4.17Å; I449-V451 PolarHBondContact O-N 2.94Å; I449-C476 WeakPolarHBondContact CD1-SG 3.31Å
450	N	97.9	Very high	96.2	Very high	23 Å²	23	32 Å²	32	12%	0.123	17%	0.167	C	C	.	.			trans	-74.2	97.4	165.4	-91.4	-51.8	0	0	0	110.6	H452 E475 R528 E719	N450-H452 PolarHBondContact O-CD2 3.47Å; N450-H452 VanDerWaalsContact O-CD2 3.26Å; N450-H452 PolarHBondContact O-N 2.73Å; N450-E475 PolarHBondContact ND2-OE2 3.36Å; N450-E475 VanDerWaalsContact ND2-OE2 3.15Å; N450-R528 PolarHBondContact OD1-NH1 2.78Å; N450-E719 PolarHBondContact ND2-OE2 2.64Å
451	V	96.7	Very high	95.4	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	19%	0.189	C	C	.	.			trans	-60.7	133.8	176.9	174.4	0	0	0	0	111.3	F278 A381 L397 I449 R528	F278-V451 HydrophobicContact CD1-CB 4.28Å; F278-V451 HydrophobicContact CD1-CG2 3.82Å; F278-V451 HydrophobicContact CE1-CG2 4.06Å; A381-V451 HydrophobicContact CB-CG1 3.93Å; A381-V451 HydrophobicContact CB-CG2 3.95Å; L397-V451 HydrophobicContact CD1-CG2 3.42Å; L397-V451 VanDerWaalsContact CD1-CG2 3.42Å; L397-V451 HydrophobicContact CG-CG2 4.43Å; I449-V451 PolarHBondContact O-N 2.94Å; V451-R528 WeakPolarHBondContact O-CD 3.47Å; V451-R528 WeakPolarHBondContact O-CG 3.21Å
452	H	94.1	Very high	94.1	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.032	23%	0.232	C	C	.	.			trans	-153.2	154.5	-173.5	68.2	59.2	0	0	0	113.7	N450 I454 R472 A473 A527 R528	N450-H452 PolarHBondContact O-CD2 3.47Å; N450-H452 VanDerWaalsContact O-CD2 3.26Å; N450-H452 PolarHBondContact O-N 2.73Å; H452-I454 VanDerWaalsContact C-N 3.34Å; H452-I454 PolarHBondContact O-N 3.5Å; H452-R472 PolarHBondContact CE1-NH1 3.13Å; H452-R472 PolarHBondContact CE1-NH2 3.09Å; H452-R472 PolarHBondContact ND1-NH1 2.7Å; H452-R472 PolarHBondContact O-NH1 3.43Å; H452-A473 PolarHBondContact CE1-O 3.1Å; H452-A473 PolarHBondContact NE2-O 3.16Å; H452-A473 VanDerWaalsContact NE2-O 3.15Å; H452-A527 HydrophobicContact CB-CB 3.47Å; H452-A527 VanDerWaalsContact CB-CB 3.47Å; H452-A527 WeakPolarHBondContact CB-O 3.28Å; H452-R528 HydrophobicContact CB-CG 3.85Å
453	D	90.9	Very high	92.8	Very high	68 Å²	68	45.6 Å²	45.6	36%	0.364	26%	0.256	S	S	.	.			trans	-80.4	-11	-162.8	-59.2	-39.9	0	0	0	114.4	R382 F455 A527	R382-D453 IonicContact CZ-OD1 2.71Å; R382-D453 IonicContact NE-OD1 3.21Å; R382-D453 PolarHBondContact NE-OD1 2.99Å; R382-D453 IonicContact NH2-OD1 3.57Å; R382-D453 PolarHBondContact NH2-OD1 3.16Å; D453-F455 PolarHBondContact O-N 2.89Å; D453-F455 VanDerWaalsContact O-N 3.11Å; D453-A527 PolarHBondContact N-O 2.93Å
454	I	97.4	Very high	91.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	28%	0.28	C	S	.	.			trans	-72.2	105.6	-177	-59.1	174.3	0	0	0	111.3	H452 R472 A473 L483 V525 A527 I533	H452-I454 VanDerWaalsContact C-N 3.34Å; H452-I454 PolarHBondContact O-N 3.5Å; I454-R472 VanDerWaalsContact O-CD 3.3Å; I454-R472 WeakPolarHBondContact O-CD 3.34Å; I454-R472 PolarHBondContact O-NH1 3.26Å; I454-R472 VanDerWaalsContact O-NH1 3.1Å; I454-A473 HydrophobicContact CB-CB 4.11Å; I454-A473 HydrophobicContact CD1-CB 3.98Å; I454-A473 HydrophobicContact CG2-CB 4.1Å; I454-L483 HydrophobicContact CD1-CD2 4.21Å; I454-L483 HydrophobicContact CG2-CD2 3.99Å; I454-V525 HydrophobicContact CD1-CG1 4.12Å; I454-A527 HydrophobicContact CD1-CB 3.43Å; I454-A527 VanDerWaalsContact CD1-CB 3.43Å; I454-A527 HydrophobicContact CG1-CB 3.88Å; I454-I533 HydrophobicContact CD1-CG2 3.93Å; I454-I533 HydrophobicContact CG1-CG2 4.3Å; I454-I533 HydrophobicContact CG2-CD1 3.84Å; I454-I533 HydrophobicContact CG2-CG1 4.12Å; I454-I533 HydrophobicContact CG2-CG2 4.15Å
455	F	97.5	Very high	90.9	Very high	23 Å²	23	52.1 Å²	52.1	10%	0.101	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	131.2	157.3	168.9	-124.2	0	0	0	109.2	W393 M395 L406 I440 D453 P457 F470 I471	W393-F455 HydrophobicContact CB-CE1 4.37Å; W393-F455 AromaticContact CD1-CE1 3.73Å; W393-F455 AromaticContact CD2-CD1 3.78Å; W393-F455 HydrophobicContact CD2-CD1 3.78Å; W393-F455 AromaticContact CD2-CE1 3.63Å; W393-F455 HydrophobicContact CD2-CE1 3.63Å; W393-F455 AromaticContact CE2-CD1 3.67Å; W393-F455 AromaticContact CE2-CE1 3.74Å; W393-F455 HydrophobicContact CE3-CD1 4.01Å; W393-F455 HydrophobicContact CE3-CE1 4.19Å; W393-F455 HydrophobicContact CG-CD1 4.33Å; W393-F455 AromaticContact CG-CE1 3.68Å; W393-F455 HydrophobicContact CG-CE1 3.68Å; W393-F455 HydrophobicContact CH2-CD1 4.16Å; W393-F455 AromaticContact CZ2-CD1 3.89Å; W393-F455 HydrophobicContact CZ2-CD1 3.89Å; W393-F455 HydrophobicContact CZ2-CE1 4.42Å; W393-F455 HydrophobicContact CZ3-CD1 4.2Å; W393-F455 AromaticContact NE1-CE1 3.74Å; M395-F455 HydrophobicContact CE-CB 3.46Å; M395-F455 VanDerWaalsContact CE-CB 3.46Å; M395-F455 HydrophobicContact CE-CG 4.2Å; L406-F455 HydrophobicContact CD1-CD1 4.4Å; L406-F455 HydrophobicContact CD1-CE1 4.39Å; L406-F455 HydrophobicContact CD2-CD2 3.82Å; L406-F455 HydrophobicContact CD2-CE2 3.62Å; L406-F455 HydrophobicContact CD2-CG 4.45Å; L406-F455 HydrophobicContact CD2-CZ 4.1Å; I440-F455 HydrophobicContact CD1-CZ 4.31Å; D453-F455 PolarHBondContact O-N 2.89Å; D453-F455 VanDerWaalsContact O-N 3.11Å; F455-P457 HydrophobicContact CE1-CB 4.35Å; F455-P457 HydrophobicContact CE1-CG 3.89Å; F455-P457 HydrophobicContact CE2-CB 4.32Å; F455-P457 HydrophobicContact CZ-CB 3.82Å; F455-P457 HydrophobicContact CZ-CG 3.87Å; F455-F470 HydrophobicContact CD2-CB 4.3Å; F455-F470 HydrophobicContact CD2-CD2 4.01Å; F455-F470 HydrophobicContact CD2-CG 4.41Å; F455-F470 HydrophobicContact CE2-CB 3.66Å; F455-F470 AromaticContact CE2-CD2 3.71Å; F455-F470 HydrophobicContact CE2-CD2 3.71Å; F455-F470 HydrophobicContact CE2-CE2 4.46Å; F455-F470 AromaticContact CE2-CG 3.74Å; F455-F470 HydrophobicContact CE2-CG 3.74Å; F455-I471 CarbonylContact C-O 3.51Å; F455-I471 WeakPolarHBondContact CA-O 3.27Å
456	Y	98.1	Very high	90.4	Very high	50 Å²	50	58 Å²	58	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	97	179.4	-170.1	-85.3	0	0	0	110.3	R387 F458 F470 I471 V535 E537	R387-Y456 PolarHBondContact NH1-OH 2.82Å; Y456-F458 HydrophobicContact CD1-CD1 4.31Å; Y456-F458 HydrophobicContact CD1-CE1 4.16Å; Y456-F458 HydrophobicContact CD1-CZ 4.44Å; Y456-F458 AromaticContact CE1-CD1 3.94Å; Y456-F458 HydrophobicContact CE1-CD1 3.94Å; Y456-F458 AromaticContact CE1-CE1 3.91Å; Y456-F458 HydrophobicContact CE1-CE1 3.91Å; Y456-F470 CarbonylContact O-C 3.56Å; Y456-F470 VanDerWaalsContact O-CA 3.24Å; Y456-F470 WeakPolarHBondContact O-CA 3.19Å; Y456-F470 WeakPolarHBondContact O-CB 3.39Å; Y456-I471 PolarHBondContact N-O 2.54Å; Y456-I471 PolarHBondContact O-N 2.77Å; Y456-V535 HydrophobicContact CD1-CB 4.04Å; Y456-V535 HydrophobicContact CD1-CG1 4.16Å; Y456-V535 HydrophobicContact CD1-CG2 3.83Å; Y456-V535 HydrophobicContact CD2-CB 4.24Å; Y456-V535 HydrophobicContact CD2-CG2 3.9Å; Y456-V535 HydrophobicContact CE1-CB 3.78Å; Y456-V535 HydrophobicContact CE1-CG1 3.82Å; Y456-V535 HydrophobicContact CE1-CG2 4.12Å; Y456-V535 HydrophobicContact CE2-CB 3.98Å; Y456-V535 HydrophobicContact CE2-CG2 4.16Å; Y456-V535 HydrophobicContact CG-CB 4.27Å; Y456-V535 HydrophobicContact CG-CG2 3.73Å; Y456-E537 HydrophobicContact CE1-CG 4.48Å
457	P	97.4	Very high	90.2	Very high	10 Å²	10	54 Å²	54	7%	0.065	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.8	171.1	29.2	-31	0	0	0	110.5	T386 F455 L468	T386-P457 HydrophobicContact CG2-CB 4.44Å; T386-P457 HydrophobicContact CG2-CG 4.49Å; F455-P457 HydrophobicContact CE1-CB 4.35Å; F455-P457 HydrophobicContact CE1-CG 3.89Å; F455-P457 HydrophobicContact CE2-CB 4.32Å; F455-P457 HydrophobicContact CZ-CB 3.82Å; F455-P457 HydrophobicContact CZ-CG 3.87Å; P457-L468 HydrophobicContact CB-CD1 4.46Å
458	F	96.6	Very high	90.1	Very high	26 Å²	26	53.1 Å²	53.1	11%	0.114	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-73.2	157.8	166.4	-64.4	-76.3	0	0	0	109.7	Y456 C469 I471 V535 E537 Y561	Y456-F458 HydrophobicContact CD1-CD1 4.31Å; Y456-F458 HydrophobicContact CD1-CE1 4.16Å; Y456-F458 HydrophobicContact CD1-CZ 4.44Å; Y456-F458 AromaticContact CE1-CD1 3.94Å; Y456-F458 HydrophobicContact CE1-CD1 3.94Å; Y456-F458 AromaticContact CE1-CE1 3.91Å; Y456-F458 HydrophobicContact CE1-CE1 3.91Å; F458-C469 HydrophobicContact CD2-CB 4.05Å; F458-C469 WeakPolarHBondContact CD2-O 3.42Å; F458-C469 VanDerWaalsContact CD2-SG 3.59Å; F458-C469 PolarHBondContact N-O 2.98Å; F458-I471 HydrophobicContact CE2-CD1 4.32Å; F458-I471 HydrophobicContact CE2-CG1 3.87Å; F458-I471 HydrophobicContact CZ-CD1 3.89Å; F458-I471 HydrophobicContact CZ-CG1 3.96Å; F458-V535 HydrophobicContact CE1-CG1 3.81Å; F458-V535 HydrophobicContact CZ-CG1 4.12Å; F458-E537 HydrophobicContact CD1-CG 4.39Å; F458-E537 WeakPolarHBondContact CD1-OE1 3.45Å; F458-E537 HydrophobicContact CE1-CG 4.32Å; F458-Y561 HydrophobicContact CE1-CE1 4.19Å; F458-Y561 AromaticContact CE1-CE2 3.72Å; F458-Y561 HydrophobicContact CE1-CE2 3.72Å; F458-Y561 AromaticContact CE1-CZ 3.52Å; F458-Y561 WeakPolarHBondContact CE1-OH 3.48Å; F458-Y561 HydrophobicContact CE2-CD2 4.46Å; F458-Y561 HydrophobicContact CE2-CE2 4.25Å; F458-Y561 HydrophobicContact CZ-CD1 4.48Å; F458-Y561 AromaticContact CZ-CD2 3.77Å; F458-Y561 HydrophobicContact CZ-CD2 3.77Å; F458-Y561 HydrophobicContact CZ-CE1 4.16Å; F458-Y561 AromaticContact CZ-CE2 3.39Å; F458-Y561 HydrophobicContact CZ-CE2 3.39Å; F458-Y561 HydrophobicContact CZ-CG 4.31Å; F458-Y561 AromaticContact CZ-CZ 3.6Å
459	I	92.2	Very high	90.1	Very high	85 Å²	85	54.9 Å²	54.9	44%	0.436	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-76.4	133.3	171.8	-64	170.2	0	0	0	108.1	R387	R387-I459 HydrophobicContact CB-CD1 4.2Å; R387-I459 HydrophobicContact CB-CG1 3.94Å
460	Q	85.4	Confident	90.1	Very high	26 Å²	26	54.7 Å²	54.7	12%	0.121	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66	132.5	177.4	-60.3	-174.4	-64.4	0	0	110.5	E465 E467 L468	Q460-E465 PolarHBondContact NE2-O 3.34Å; Q460-E467 PolarHBondContact NE2-O 3.35Å; Q460-L468 HydrophobicContact CG-CD1 4.21Å
461	P	79.3	Confident	90.1	Very high	71 Å²	71	53.6 Å²	53.6	46%	0.461	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-63.3	149	169	-24.4	36.1	0	0	0	112.6	G463 E464	P461-G463 PolarHBondContact O-N 3.09Å; P461-G463 VanDerWaalsContact O-N 3.16Å; P461-E464 HydrophobicContact CB-CB 4.26Å; P461-E464 HydrophobicContact CB-CG 4.34Å; P461-E464 HydrophobicContact CG-CB 4.44Å; P461-E464 WeakPolarHBondContact CG-OE2 3.33Å; P461-E464 PolarHBondContact O-N 3.23Å
462	E	71.9	Confident	90.2	Very high	203 Å²	203	53.1 Å²	53.1	95%	0.949	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	118.9	170.8	-68.8	-177.8	177.6	0	0	109.9
463	G	68.4	Low	90.3	Very high	73 Å²	73	52.8 Å²	52.8	75%	0.753	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-8.3	-176.6	0	0	0	0	0	115.8	P461	P461-G463 PolarHBondContact O-N 3.09Å; P461-G463 VanDerWaalsContact O-N 3.16Å
464	E	75.6	Confident	90.7	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	26%	0.262	S	S	.	.			trans	-107.9	30.4	175.3	-65.5	-173.2	171.8	0	0	112.1	P461 E466 E467	P461-E464 HydrophobicContact CB-CB 4.26Å; P461-E464 HydrophobicContact CB-CG 4.34Å; P461-E464 HydrophobicContact CG-CB 4.44Å; P461-E464 WeakPolarHBondContact CG-OE2 3.33Å; P461-E464 PolarHBondContact O-N 3.23Å; E464-E466 PolarHBondContact O-N 2.7Å; E464-E466 VanDerWaalsContact O-N 3.08Å; E464-E467 PolarHBondContact O-N 2.75Å; E464-E467 VanDerWaalsContact O-N 3.09Å
465	E	78.1	Confident	90.6	Very high	118 Å²	118	50.3 Å²	50.3	55%	0.551	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.3	-173	-64.9	-162.6	-120	0	0	115.1	K390 Q460 E467	K390-E465 IonicContact NZ-OE2 2.71Å; K390-E465 PolarHBondContact NZ-OE2 3.13Å; Q460-E465 PolarHBondContact NE2-O 3.34Å; E465-E467 VanDerWaalsContact C-N 3.29Å; E465-E467 PolarHBondContact O-N 3.07Å
466	E	88.1	Confident	90.5	Very high	141 Å²	141	50.9 Å²	50.9	66%	0.659	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-1	176.4	-63.3	-171.4	-179.9	0	0	113.6	E464 V489 L490	E464-E466 PolarHBondContact O-N 2.7Å; E464-E466 VanDerWaalsContact O-N 3.08Å; E466-V489 CarbonylContact O-C 3.55Å; E466-V489 WeakPolarHBondContact O-CA 3.03Å; E466-V489 WeakPolarHBondContact O-CG1 3.47Å; E466-L490 PolarHBondContact O-N 3.34Å
467	E	93.7	Very high	90.4	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.3	-179	-64.2	-173.6	-165.1	0	0	113.1	Q460 E464 E465 T487 A488 V489 K513	Q460-E467 PolarHBondContact NE2-O 3.35Å; E464-E467 PolarHBondContact O-N 2.75Å; E464-E467 VanDerWaalsContact O-N 3.09Å; E465-E467 VanDerWaalsContact C-N 3.29Å; E465-E467 PolarHBondContact O-N 3.07Å; E467-T487 HydrophobicContact CB-CG2 4.31Å; E467-T487 WeakPolarHBondContact OE2-CG2 3.37Å; E467-A488 WeakPolarHBondContact CA-O 3.31Å; E467-V489 HydrophobicContact CG-CG2 4.4Å; E467-K513 VanDerWaalsContact CD-CD 3.47Å; E467-K513 VanDerWaalsContact OE1-CD 3.26Å; E467-K513 WeakPolarHBondContact OE1-CD 3.38Å; E467-K513 WeakPolarHBondContact OE1-CE 3.45Å; E467-K513 IonicContact OE1-NZ 3.32Å; E467-K513 PolarHBondContact OE1-NZ 3.31Å; E467-K513 WeakPolarHBondContact OE2-CD 3.49Å; E467-K513 WeakPolarHBondContact OE2-CE 3.38Å; E467-K513 IonicContact OE2-NZ 3.07Å; E467-K513 PolarHBondContact OE2-NZ 3.48Å
468	L	96.3	Very high	90.4	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	169.7	-174.6	75.7	0	0	0	110.6	L408 I440 P457 Q460 F470 T487 A488 L490	L408-L468 HydrophobicContact CD1-CD2 4.05Å; L408-L468 HydrophobicContact CD2-CD2 4.29Å; I440-L468 HydrophobicContact CD1-CD2 3.66Å; P457-L468 HydrophobicContact CB-CD1 4.46Å; Q460-L468 HydrophobicContact CG-CD1 4.21Å; L468-F470 HydrophobicContact CD2-CD1 4.08Å; L468-F470 HydrophobicContact CG-CD1 4.24Å; L468-T487 WeakPolarHBondContact O-CA 3.13Å; L468-A488 PolarHBondContact N-O 3.44Å; L468-A488 PolarHBondContact O-N 3.24Å; L468-L490 HydrophobicContact CB-CD1 4.31Å; L468-L490 HydrophobicContact CB-CD2 4.02Å; L468-L490 HydrophobicContact CB-CG 4.35Å
469	C	97.4	Very high	90.5	Very high	37 Å²	37	56.4 Å²	56.4	25%	0.25	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.2	166	-174.3	0	0	0	0	110.4	F458 V486	F458-C469 HydrophobicContact CD2-CB 4.05Å; F458-C469 WeakPolarHBondContact CD2-O 3.42Å; F458-C469 VanDerWaalsContact CD2-SG 3.59Å; F458-C469 PolarHBondContact N-O 2.98Å; C469-V486 CarbonylContact C-O 3.5Å; C469-V486 VanDerWaalsContact CA-O 3.31Å; C469-V486 WeakPolarHBondContact CA-O 3.31Å
470	F	98.4	Very high	90.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162	176.2	57	-86.9	0	0	0	112.7	L406 I440 Y441 F455 Y456 L468 R472 R485 V486 A488	L406-F470 HydrophobicContact CD2-CD2 4.46Å; L406-F470 HydrophobicContact CD2-CE2 4Å; L406-F470 HydrophobicContact CD2-CZ 4.34Å; I440-F470 HydrophobicContact CB-CE1 4.31Å; I440-F470 HydrophobicContact CD1-CD1 4.37Å; I440-F470 HydrophobicContact CD1-CE1 4.04Å; I440-F470 HydrophobicContact CD1-CZ 4.39Å; I440-F470 HydrophobicContact CG1-CE1 4.48Å; Y441-F470 HydrophobicContact CD2-CE2 4.44Å; Y441-F470 HydrophobicContact CD2-CZ 4.2Å; Y441-F470 HydrophobicContact CG-CE2 4.44Å; Y441-F470 HydrophobicContact CG-CZ 4.36Å; F455-F470 HydrophobicContact CD2-CB 4.3Å; F455-F470 HydrophobicContact CD2-CD2 4.01Å; F455-F470 HydrophobicContact CD2-CG 4.41Å; F455-F470 HydrophobicContact CE2-CB 3.66Å; F455-F470 AromaticContact CE2-CD2 3.71Å; F455-F470 HydrophobicContact CE2-CD2 3.71Å; F455-F470 HydrophobicContact CE2-CE2 4.46Å; F455-F470 AromaticContact CE2-CG 3.74Å; F455-F470 HydrophobicContact CE2-CG 3.74Å; Y456-F470 CarbonylContact O-C 3.56Å; Y456-F470 VanDerWaalsContact O-CA 3.24Å; Y456-F470 WeakPolarHBondContact O-CA 3.19Å; Y456-F470 WeakPolarHBondContact O-CB 3.39Å; L468-F470 HydrophobicContact CD2-CD1 4.08Å; L468-F470 HydrophobicContact CG-CD1 4.24Å; F470-R472 HydrophobicContact CD2-CB 3.97Å; F470-R472 HydrophobicContact CE2-CB 3.98Å; F470-R485 WeakPolarHBondContact O-CA 3.08Å; F470-V486 HydrophobicContact CD1-CB 4.4Å; F470-V486 HydrophobicContact CD2-CB 4.11Å; F470-V486 HydrophobicContact CD2-CG2 4.44Å; F470-V486 HydrophobicContact CE1-CB 3.95Å; F470-V486 HydrophobicContact CE1-CG1 3.97Å; F470-V486 HydrophobicContact CE2-CB 3.64Å; F470-V486 HydrophobicContact CE2-CG1 4.13Å; F470-V486 HydrophobicContact CE2-CG2 3.88Å; F470-V486 HydrophobicContact CG-CB 4.47Å; F470-V486 HydrophobicContact CZ-CB 3.54Å; F470-V486 HydrophobicContact CZ-CG1 3.57Å; F470-V486 HydrophobicContact CZ-CG2 4.19Å; F470-V486 PolarHBondContact N-O 3.16Å; F470-V486 PolarHBondContact O-N 2.71Å; F470-A488 HydrophobicContact CE1-CB 4.19Å
471	I	98.7	Very high	91.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.2	164.8	-60.5	177.9	0	0	0	109.1	F455 Y456 F458 L483 Y484 L518 I533 V535 V542 Y561	F455-I471 CarbonylContact C-O 3.51Å; F455-I471 WeakPolarHBondContact CA-O 3.27Å; Y456-I471 PolarHBondContact N-O 2.54Å; Y456-I471 PolarHBondContact O-N 2.77Å; F458-I471 HydrophobicContact CE2-CD1 4.32Å; F458-I471 HydrophobicContact CE2-CG1 3.87Å; F458-I471 HydrophobicContact CZ-CD1 3.89Å; F458-I471 HydrophobicContact CZ-CG1 3.96Å; I471-L483 HydrophobicContact CG2-CD2 4.18Å; I471-Y484 WeakPolarHBondContact CA-O 3.43Å; I471-L518 HydrophobicContact CD1-CD1 4.1Å; I471-L518 HydrophobicContact CG1-CD1 4.3Å; I471-L518 HydrophobicContact CG2-CD1 4.4Å; I471-I533 HydrophobicContact CB-CD1 4.13Å; I471-I533 HydrophobicContact CG2-CD1 3.69Å; I471-V535 HydrophobicContact CD1-CG1 4.35Å; I471-V535 HydrophobicContact CD1-CG2 4.06Å; I471-V542 HydrophobicContact CD1-CB 4.23Å; I471-V542 HydrophobicContact CD1-CG2 4.36Å; I471-Y561 HydrophobicContact CD1-CD1 4.18Å; I471-Y561 HydrophobicContact CD1-CG 3.98Å
472	R	97.9	Very high	92.4	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.3	175.5	171.5	58.1	-175.3	173	1.8	107.7	M395 Y441 E443 H452 I454 F470 Y484	M395-R472 VanDerWaalsContact CE-NH1 3.33Å; Y441-R472 HydrophobicContact CD1-CG 4.38Å; Y441-R472 HydrophobicContact CE1-CG 4.33Å; E443-R472 IonicContact OE1-CZ 2.64Å; E443-R472 IonicContact OE1-NE 2.67Å; E443-R472 IonicContact OE1-NH2 3.75Å; E443-R472 PolarHBondContact OE1-NH2 2.84Å; H452-R472 PolarHBondContact CE1-NH1 3.13Å; H452-R472 PolarHBondContact CE1-NH2 3.09Å; H452-R472 PolarHBondContact ND1-NH1 2.7Å; H452-R472 PolarHBondContact O-NH1 3.43Å; I454-R472 VanDerWaalsContact O-CD 3.3Å; I454-R472 WeakPolarHBondContact O-CD 3.34Å; I454-R472 PolarHBondContact O-NH1 3.26Å; I454-R472 VanDerWaalsContact O-NH1 3.1Å; F470-R472 HydrophobicContact CD2-CB 3.97Å; F470-R472 HydrophobicContact CE2-CB 3.98Å; R472-Y484 PolarHBondContact N-O 2.87Å; R472-Y484 PolarHBondContact O-N 3Å
473	A	98.1	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	149.5	164.3	0	0	0	0	0	110	H452 I454 H482 L483	H452-A473 PolarHBondContact CE1-O 3.1Å; H452-A473 PolarHBondContact NE2-O 3.16Å; H452-A473 VanDerWaalsContact NE2-O 3.15Å; I454-A473 HydrophobicContact CB-CB 4.11Å; I454-A473 HydrophobicContact CD1-CB 3.98Å; I454-A473 HydrophobicContact CG2-CB 4.1Å; A473-H482 CarbonylContact C-O 3.53Å; A473-H482 WeakPolarHBondContact CA-O 3.31Å; A473-L483 HydrophobicContact CB-CD2 3.96Å
474	N	97.6	Very high	95.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.3	178.6	170	-73.4	0	0	0	109.2	E443 C476 K477 H482 Y484	E443-N474 WeakPolarHBondContact CB-ND2 3.48Å; E443-N474 PolarHBondContact OE2-ND2 2.63Å; N474-C476 PolarHBondContact OD1-N 2.82Å; N474-C476 VanDerWaalsContact OD1-N 3.15Å; N474-K477 WeakPolarHBondContact OD1-CB 3.42Å; N474-K477 VanDerWaalsContact OD1-CG 3.3Å; N474-K477 WeakPolarHBondContact OD1-CG 3.39Å; N474-K477 PolarHBondContact OD1-N 3.06Å; N474-H482 PolarHBondContact N-O 3.02Å; N474-H482 PolarHBondContact O-N 3.22Å; N474-Y484 HydrophobicContact CB-CD2 3.87Å; N474-Y484 HydrophobicContact CB-CE2 3.76Å
475	E	96.1	Very high	96.2	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	17%	0.173	C	C	.	.	S	Bend	trans	-100.4	-34.4	176.3	-178.9	161.2	-132.5	0	0	112.6	N450 K477 T478 G479 C481 L716	N450-E475 PolarHBondContact ND2-OE2 3.36Å; N450-E475 VanDerWaalsContact ND2-OE2 3.15Å; E475-K477 PolarHBondContact O-N 2.89Å; E475-K477 VanDerWaalsContact O-N 3.08Å; E475-T478 PolarHBondContact O-N 3.12Å; E475-G479 WeakPolarHBondContact O-CA 3.34Å; E475-G479 PolarHBondContact O-N 3.4Å; E475-C481 HydrophobicContact CB-CB 4.23Å; E475-L716 HydrophobicContact CG-CB 3.74Å; E475-L716 HydrophobicContact CG-CD2 4.16Å; E475-L716 PolarHBondContact OE1-N 2.92Å
476	C	96.1	Very high	97.1	Very high	35 Å²	35	28.6 Å²	28.6	24%	0.236	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.3	-173.2	-50.7	0	0	0	0	114.5	T444 I449 N474 T478	T444-C476 WeakPolarHBondContact O-CB 3.37Å; I449-C476 WeakPolarHBondContact CD1-SG 3.31Å; N474-C476 PolarHBondContact OD1-N 2.82Å; N474-C476 VanDerWaalsContact OD1-N 3.15Å; C476-T478 PolarHBondContact O-N 3.27Å
477	K	96.2	Very high	97.6	Very high	107 Å²	107	22.5 Å²	22.5	47%	0.465	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19	-174.4	-72	-175.4	-177.9	-150.4	0	115.1	Y441 N474 E475 Y484 E515	Y441-K477 WeakPolarHBondContact OH-CE 3.46Å; N474-K477 WeakPolarHBondContact OD1-CB 3.42Å; N474-K477 VanDerWaalsContact OD1-CG 3.3Å; N474-K477 WeakPolarHBondContact OD1-CG 3.39Å; N474-K477 PolarHBondContact OD1-N 3.06Å; E475-K477 PolarHBondContact O-N 2.89Å; E475-K477 VanDerWaalsContact O-N 3.08Å; K477-Y484 HydrophobicContact CD-CE1 4.34Å; K477-E515 WeakPolarHBondContact CE-OE1 3.46Å; K477-E515 IonicContact NZ-OE1 2.8Å; K477-E515 PolarHBondContact NZ-OE1 2.86Å; K477-E515 IonicContact NZ-OE2 2.96Å; K477-E515 PolarHBondContact NZ-OE2 3.42Å
478	T	97.5	Very high	97.8	Very high	77 Å²	77	20 Å²	20	47%	0.472	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-10.6	-177.6	66	0	0	0	0	114.4	E475 C476 F480	E475-T478 PolarHBondContact O-N 3.12Å; C476-T478 PolarHBondContact O-N 3.27Å; T478-F480 VanDerWaalsContact C-N 3.28Å; T478-F480 PolarHBondContact OG1-N 3.35Å; T478-F480 PolarHBondContact OG1-O 3.36Å
479	G	97.7	Very high	97.8	Very high	18 Å²	18	21.4 Å²	21.4	19%	0.186	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	6.5	-167.9	0	0	0	0	0	114	E475 G715 L716	E475-G479 WeakPolarHBondContact O-CA 3.34Å; E475-G479 PolarHBondContact O-N 3.4Å; G479-G715 CarbonylContact O-C 3.6Å; G479-G715 WeakPolarHBondContact O-CA 3.35Å; G479-L716 PolarHBondContact O-N 2.79Å
480	F	98.6	Very high	97.6	Very high	45 Å²	45	19.9 Å²	19.9	20%	0.197	11%	0.106	C	C	.	.	S	Bend	trans	-136.9	138.4	172.1	-70.1	-89.3	0	0	0	110.3	T478 H482 E522 W523 E524 R714	T478-F480 VanDerWaalsContact C-N 3.28Å; T478-F480 PolarHBondContact OG1-N 3.35Å; T478-F480 PolarHBondContact OG1-O 3.36Å; F480-H482 PolarHBondContact O-CD2 3.11Å; F480-H482 PolarHBondContact O-N 2.84Å; F480-E522 HydrophobicContact CE2-CB 4.02Å; F480-E522 HydrophobicContact CE2-CG 4.22Å; F480-E522 HydrophobicContact CZ-CB 3.96Å; F480-W523 WeakPolarHBondContact CB-O 3.48Å; F480-E524 HydrophobicContact CD1-CB 4.48Å; F480-R714 WeakPolarHBondContact CE1-O 3.12Å
481	C	98.5	Very high	97	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.054	14%	0.136	C	C	.	.			trans	-64.2	114.7	177.4	-175.3	0	0	0	0	111.6	E475 E524 V525	E475-C481 HydrophobicContact CB-CB 4.23Å; C481-E524 HydrophobicContact CB-CB 4.16Å; C481-V525 WeakPolarHBondContact O-CB 3.48Å; C481-V525 PolarHBondContact O-N 3.19Å; C481-V525 PolarHBondContact SG-O 2.98Å; C481-V525 VanDerWaalsContact SG-O 3.36Å
482	H	98.8	Very high	96.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.5	177.4	-78.3	-57.5	0	0	0	112.1	A473 N474 F480 Y484 T519 G520 G521 W523	A473-H482 CarbonylContact C-O 3.53Å; A473-H482 WeakPolarHBondContact CA-O 3.31Å; N474-H482 PolarHBondContact N-O 3.02Å; N474-H482 PolarHBondContact O-N 3.22Å; F480-H482 PolarHBondContact O-CD2 3.11Å; F480-H482 PolarHBondContact O-N 2.84Å; H482-Y484 HydrophobicContact CB-CE2 3.87Å; H482-Y484 VanDerWaalsContact O-CD2 3.23Å; H482-Y484 WeakPolarHBondContact O-CD2 2.94Å; H482-Y484 VanDerWaalsContact O-CE2 3.28Å; H482-Y484 WeakPolarHBondContact O-CE2 3.35Å; H482-T519 WeakPolarHBondContact CA-OG1 3.3Å; H482-T519 VanDerWaalsContact CB-OG1 3.29Å; H482-T519 WeakPolarHBondContact CB-OG1 3.48Å; H482-T519 WeakPolarHBondContact ND1-CB 3.38Å; H482-T519 PolarHBondContact ND1-OG1 3.27Å; H482-G520 VanDerWaalsContact CE1-CA 3.49Å; H482-G520 WeakPolarHBondContact CE1-CA 3.37Å; H482-G520 PolarHBondContact ND1-N 2.83Å; H482-G521 PolarHBondContact NE2-N 3.45Å; H482-G521 PolarHBondContact NE2-O 3.38Å; H482-W523 AromaticContact CE1-CD2 3.97Å; H482-W523 AromaticContact CE1-CE2 3.7Å; H482-W523 AromaticContact CE1-CZ2 3.86Å; H482-W523 AromaticContact CE1-NE1 4Å; H482-W523 PolarHBondContact CE1-O 2.9Å; H482-W523 PolarHBondContact NE2-O 2.9Å; H482-W523 VanDerWaalsContact NE2-O 3.15Å
483	L	98.8	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.8	175.7	-65.7	176	0	0	0	111.5	I454 I471 A473 L518 T519 V525 I533 V542 F544	I454-L483 HydrophobicContact CD1-CD2 4.21Å; I454-L483 HydrophobicContact CG2-CD2 3.99Å; I471-L483 HydrophobicContact CG2-CD2 4.18Å; A473-L483 HydrophobicContact CB-CD2 3.96Å; L483-L518 HydrophobicContact CB-CB 4.05Å; L483-L518 HydrophobicContact CB-CD1 4.37Å; L483-L518 WeakPolarHBondContact O-CB 3.39Å; L483-L518 PolarHBondContact O-N 3.47Å; L483-T519 HydrophobicContact CB-CG2 4.32Å; L483-T519 HydrophobicContact CD1-CG2 4.41Å; L483-T519 PolarHBondContact N-OG1 2.87Å; L483-T519 PolarHBondContact O-N 3.44Å; L483-V525 HydrophobicContact CD2-CG1 4.2Å; L483-V525 HydrophobicContact CG-CG1 4.11Å; L483-V525 HydrophobicContact CG-CG2 4.3Å; L483-I533 HydrophobicContact CD1-CG2 4.04Å; L483-I533 HydrophobicContact CD2-CG2 3.79Å; L483-V542 HydrophobicContact CD1-CG1 4.18Å; L483-V542 HydrophobicContact CD1-CG2 4.13Å; L483-F544 HydrophobicContact CD1-CB 4Å; L483-F544 HydrophobicContact CD1-CD1 3.84Å; L483-F544 HydrophobicContact CD1-CE1 4.48Å; L483-F544 HydrophobicContact CD1-CG 3.91Å
484	Y	98.7	Very high	95.1	Very high	18 Å²	18	37.5 Å²	37.5	7%	0.071	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.9	174.8	-60.8	-99	0	0	0	109.9	I471 R472 N474 K477 H482 E515 V516 A517	I471-Y484 WeakPolarHBondContact CA-O 3.43Å; R472-Y484 PolarHBondContact N-O 2.87Å; R472-Y484 PolarHBondContact O-N 3Å; N474-Y484 HydrophobicContact CB-CD2 3.87Å; N474-Y484 HydrophobicContact CB-CE2 3.76Å; K477-Y484 HydrophobicContact CD-CE1 4.34Å; H482-Y484 HydrophobicContact CB-CE2 3.87Å; H482-Y484 VanDerWaalsContact O-CD2 3.23Å; H482-Y484 WeakPolarHBondContact O-CD2 2.94Å; H482-Y484 VanDerWaalsContact O-CE2 3.28Å; H482-Y484 WeakPolarHBondContact O-CE2 3.35Å; Y484-E515 HydrophobicContact CD1-CG 4.12Å; Y484-V516 CarbonylContact C-O 3.57Å; Y484-V516 VanDerWaalsContact CA-O 3.31Å; Y484-V516 WeakPolarHBondContact CA-O 3.3Å; Y484-A517 HydrophobicContact CD1-CB 3.94Å; Y484-A517 HydrophobicContact CE1-CB 3.72Å
485	R	98.5	Very high	94.8	Very high	37 Å²	37	39.8 Å²	39.8	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.4	160.5	-179.6	-176.3	82.8	-150	14.3	107.3	F470 E514 E515 V516 L518 Y561 E562	F470-R485 WeakPolarHBondContact O-CA 3.08Å; R485-E514 IonicContact CZ-OE2 2.75Å; R485-E514 VanDerWaalsContact CZ-OE2 3.32Å; R485-E514 IonicContact NE-OE2 3.7Å; R485-E514 PolarHBondContact NE-OE2 2.83Å; R485-E514 IonicContact NH2-OE1 2.82Å; R485-E514 PolarHBondContact NH2-OE1 3.29Å; R485-E514 IonicContact NH2-OE2 3.79Å; R485-E514 PolarHBondContact NH2-OE2 2.75Å; R485-E515 CarbonylContact O-C 3.59Å; R485-E515 WeakPolarHBondContact O-CA 3.46Å; R485-V516 HydrophobicContact CB-CB 4.41Å; R485-V516 PolarHBondContact N-O 2.96Å; R485-V516 PolarHBondContact O-N 3.45Å; R485-L518 HydrophobicContact CB-CD1 4.28Å; R485-L518 HydrophobicContact CB-CD2 3.99Å; R485-L518 HydrophobicContact CB-CG 4.35Å; R485-Y561 PolarHBondContact NH1-O 2.78Å; R485-E562 PolarHBondContact NH1-O 3.03Å; R485-E562 VanDerWaalsContact NH1-O 3.09Å
486	V	98.4	Very high	94.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.9	-179.1	-171.4	0	0	0	0	108.9	Y441 C469 F470 I512 E514 E515	Y441-V486 HydrophobicContact CD2-CG1 3.94Å; Y441-V486 HydrophobicContact CD2-CG2 4.2Å; Y441-V486 HydrophobicContact CE2-CG1 4.06Å; Y441-V486 HydrophobicContact CE2-CG2 3.79Å; C469-V486 CarbonylContact C-O 3.5Å; C469-V486 VanDerWaalsContact CA-O 3.31Å; C469-V486 WeakPolarHBondContact CA-O 3.31Å; F470-V486 HydrophobicContact CD1-CB 4.4Å; F470-V486 HydrophobicContact CD2-CB 4.11Å; F470-V486 HydrophobicContact CD2-CG2 4.44Å; F470-V486 HydrophobicContact CE1-CB 3.95Å; F470-V486 HydrophobicContact CE1-CG1 3.97Å; F470-V486 HydrophobicContact CE2-CB 3.64Å; F470-V486 HydrophobicContact CE2-CG1 4.13Å; F470-V486 HydrophobicContact CE2-CG2 3.88Å; F470-V486 HydrophobicContact CG-CB 4.47Å; F470-V486 HydrophobicContact CZ-CB 3.54Å; F470-V486 HydrophobicContact CZ-CG1 3.57Å; F470-V486 HydrophobicContact CZ-CG2 4.19Å; F470-V486 PolarHBondContact N-O 3.16Å; F470-V486 PolarHBondContact O-N 2.71Å; V486-I512 HydrophobicContact CG1-CD1 3.99Å; V486-I512 HydrophobicContact CG1-CG2 3.88Å; V486-E514 WeakPolarHBondContact CA-O 3.13Å; V486-E515 HydrophobicContact CG2-CG 4.21Å
487	T	97.7	Very high	94.6	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.08	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.1	171.6	-54.2	0	0	0	0	108.9	E467 L468 K513 E514	E467-T487 HydrophobicContact CB-CG2 4.31Å; E467-T487 WeakPolarHBondContact OE2-CG2 3.37Å; L468-T487 WeakPolarHBondContact O-CA 3.13Å; T487-K513 HydrophobicContact CG2-CB 4.45Å; T487-K513 HydrophobicContact CG2-CD 4.22Å; T487-K513 PolarHBondContact O-N 2.79Å; T487-E514 PolarHBondContact N-O 2.71Å; T487-E514 PolarHBondContact O-N 3.38Å
488	A	97.5	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.9	178.5	0	0	0	0	0	110.8	I440 E467 L468 F470 C510 I512	I440-A488 HydrophobicContact CB-CB 4.04Å; I440-A488 HydrophobicContact CG2-CB 4.29Å; E467-A488 WeakPolarHBondContact CA-O 3.31Å; L468-A488 PolarHBondContact N-O 3.44Å; L468-A488 PolarHBondContact O-N 3.24Å; F470-A488 HydrophobicContact CE1-CB 4.19Å; A488-C510 HydrophobicContact CB-CB 4.36Å; A488-I512 HydrophobicContact CB-CD1 3.96Å
489	V	96.6	Very high	94.2	Very high	35 Å²	35	40.5 Å²	40.5	21%	0.212	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.2	175.6	-170.6	0	0	0	0	109.3	E466 E467 K491 C510 P511 K513	E466-V489 CarbonylContact O-C 3.55Å; E466-V489 WeakPolarHBondContact O-CA 3.03Å; E466-V489 WeakPolarHBondContact O-CG1 3.47Å; E467-V489 HydrophobicContact CG-CG2 4.4Å; V489-K491 PolarHBondContact O-N 2.96Å; V489-C510 VanDerWaalsContact O-CB 3.24Å; V489-C510 WeakPolarHBondContact O-CB 3.27Å; V489-P511 HydrophobicContact CB-CG 4.17Å; V489-P511 PolarHBondContact N-O 3.47Å; V489-K513 HydrophobicContact CG2-CB 3.82Å
490	L	94	Very high	93.8	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.238	C	C	.	.			trans	-77.4	53.4	-178.4	-52.7	-170.4	0	0	0	111.6	Y391 L408 L438 I440 E466 L468 Q492	Y391-L490 HydrophobicContact CE2-CD1 4.17Å; L408-L490 HydrophobicContact CD1-CD1 4.35Å; L408-L490 HydrophobicContact CD1-CD2 4.02Å; L438-L490 HydrophobicContact CD1-CB 4.24Å; L438-L490 HydrophobicContact CD1-CD2 4.31Å; I440-L490 HydrophobicContact CG2-CD2 3.63Å; E466-L490 PolarHBondContact O-N 3.34Å; L468-L490 HydrophobicContact CB-CD1 4.31Å; L468-L490 HydrophobicContact CB-CD2 4.02Å; L468-L490 HydrophobicContact CB-CG 4.35Å; L490-Q492 PolarHBondContact O-N 2.99Å; L490-Q492 VanDerWaalsContact O-N 3.15Å
491	K	84.3	Confident	93.5	Very high	146 Å²	146	43.9 Å²	43.9	64%	0.635	23%	0.234	S	C	*	.			trans	-57.5	116	-177.6	-177.2	-167.1	173.1	-164.6	0	110.8	Q436 V489	Q436-K491 PolarHBondContact NE2-O 3.15Å; V489-K491 PolarHBondContact O-N 2.96Å
492	Q	81.1	Confident	93.1	Very high	112 Å²	112	49.4 Å²	49.4	52%	0.523	27%	0.267	S	S	.	.			trans	-76.2	138.2	177.8	-64.1	175.8	16.9	0	0	111.6	N434 L490	N434-Q492 HydrophobicContact CB-CB 4.25Å; N434-Q492 PolarHBondContact ND2-OE1 2.88Å; L490-Q492 PolarHBondContact O-N 2.99Å; L490-Q492 VanDerWaalsContact O-N 3.15Å
493	G	84.1	Confident	92.7	Very high	30 Å²	30	52 Å²	52	31%	0.309	28%	0.28	S	S	.	.			trans	-94.6	-164.5	167.1	0	0	0	0	0	112.2	N434	N434-G493 WeakPolarHBondContact CA-O 3.42Å
494	S	89.4	Confident	92.3	Very high	84 Å²	84	55.6 Å²	55.6	59%	0.587	30%	0.304	S	S	*	.			trans	-140.8	118.8	167.6	-130.9	0	0	0	0	107.8	E433	E433-S494 WeakPolarHBondContact CB-OG 3.43Å; E433-S494 WeakPolarHBondContact O-CA 3.24Å; E433-S494 PolarHBondContact OE2-OG 3.05Å
495	Y	92	Very high	91.3	Very high	48 Å²	48	62.4 Å²	62.4	19%	0.188	34%	0.337	C	S	.	.			trans	-129.2	129.2	-178.6	-57.5	-96.1	0	0	0	110.7	E433 Q436 W497 Y501 F508	E433-Y495 PolarHBondContact O-N 2.9Å; Q436-Y495 HydrophobicContact CB-CD2 4.23Å; Q436-Y495 HydrophobicContact CB-CE2 3.94Å; Q436-Y495 HydrophobicContact CG-CE2 4.4Å; Q436-Y495 PolarHBondContact OE1-OH 2.95Å; Y495-W497 HydrophobicContact CD2-CZ2 4.07Å; Y495-W497 HydrophobicContact CG-CH2 4.27Å; Y495-W497 HydrophobicContact CG-CZ2 4Å; Y495-W497 PolarHBondContact O-N 3.4Å; Y495-W497 VanDerWaalsContact O-N 3.1Å; Y495-Y501 HydrophobicContact CD1-CD2 4.33Å; Y495-Y501 HydrophobicContact CD1-CE2 4.08Å; Y495-Y501 AromaticContact CE1-CE2 3.97Å; Y495-Y501 HydrophobicContact CE1-CE2 3.97Å; Y495-F508 HydrophobicContact CE1-CE1 4.13Å; Y495-F508 HydrophobicContact CE2-CE1 4.3Å; Y495-F508 AromaticContact CZ-CE1 3.83Å
496	D	93.2	Very high	90.5	Very high	87 Å²	87	66 Å²	66	47%	0.465	36%	0.359	S	S	.	.			trans	-77.5	90.5	166.1	178.9	4.6	0	0	0	108.9	V498 Q499	D496-V498 PolarHBondContact O-N 2.95Å; D496-V498 WeakPolarHBondContact OD1-CB 3.11Å; D496-V498 VanDerWaalsContact OD1-CG2 3.28Å; D496-V498 WeakPolarHBondContact OD1-CG2 3.24Å; D496-V498 PolarHBondContact OD1-N 2.91Å; D496-Q499 HydrophobicContact CB-CG 4.23Å; D496-Q499 PolarHBondContact O-N 2.88Å; D496-Q499 WeakPolarHBondContact OD2-CG 3.46Å; D496-Q499 PolarHBondContact OD2-NE2 2.67Å
497	W	94.7	Very high	90	Very high	5 Å²	5	68 Å²	68	2%	0.019	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.8	179.3	-67.4	119.3	0	0	0	114.7	V367 Q368 L373 L413 V431 V435 Q436 Y495 Y501 F508	V367-W497 HydrophobicContact CG1-CB 4.33Å; V367-W497 HydrophobicContact CG1-CD2 3.77Å; V367-W497 HydrophobicContact CG1-CE3 3.82Å; V367-W497 HydrophobicContact CG1-CG 4.02Å; V367-W497 HydrophobicContact CG1-CZ3 4.44Å; V367-W497 HydrophobicContact CG2-CB 3.82Å; V367-W497 HydrophobicContact CG2-CG 4.35Å; Q368-W497 HydrophobicContact CB-CZ3 4.48Å; Q368-W497 HydrophobicContact CG-CE3 3.6Å; Q368-W497 HydrophobicContact CG-CZ3 3.87Å; Q368-W497 PolarHBondContact NE2-O 2.8Å; L373-W497 HydrophobicContact CD2-CH2 4.02Å; L373-W497 HydrophobicContact CD2-CZ3 3.87Å; L413-W497 HydrophobicContact CD1-CZ2 4.1Å; V431-W497 HydrophobicContact CG1-CG 4.31Å; V435-W497 WeakPolarHBondContact O-CZ2 3.26Å; V435-W497 PolarHBondContact O-NE1 2.78Å; Q436-W497 HydrophobicContact CB-CZ2 4.17Å; Y495-W497 HydrophobicContact CD2-CZ2 4.07Å; Y495-W497 HydrophobicContact CG-CH2 4.27Å; Y495-W497 HydrophobicContact CG-CZ2 4Å; Y495-W497 PolarHBondContact O-N 3.4Å; Y495-W497 VanDerWaalsContact O-N 3.1Å; W497-Y501 HydrophobicContact CZ3-CD2 4.13Å; W497-Y501 HydrophobicContact CZ3-CG 4.25Å; W497-F508 HydrophobicContact CH2-CE1 4.14Å; W497-F508 HydrophobicContact CH2-CZ 4.19Å
498	V	92.9	Very high	89.8	Confident	48 Å²	48	67.8 Å²	67.8	29%	0.291	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-26.8	172.6	-165.8	0	0	0	0	111.3	A425 A428 K429 D496	A425-V498 HydrophobicContact CB-CG1 4.24Å; A428-V498 HydrophobicContact CB-CG2 4.25Å; K429-V498 HydrophobicContact CB-CG2 4.43Å; K429-V498 HydrophobicContact CG-CG2 3.44Å; K429-V498 VanDerWaalsContact CG-CG2 3.44Å; D496-V498 PolarHBondContact O-N 2.95Å; D496-V498 WeakPolarHBondContact OD1-CB 3.11Å; D496-V498 VanDerWaalsContact OD1-CG2 3.28Å; D496-V498 WeakPolarHBondContact OD1-CG2 3.24Å; D496-V498 PolarHBondContact OD1-N 2.91Å
499	Q	92.1	Very high	89.7	Confident	111 Å²	111	71.9 Å²	71.9	52%	0.519	39%	0.385	S	S	.	.	S	Bend	trans	-78.7	150.7	171.9	-51.9	-46.6	-46.9	0	0	110.8	Q368 D496 Y501	Q368-Q499 PolarHBondContact NE2-O 3.48Å; D496-Q499 HydrophobicContact CB-CG 4.23Å; D496-Q499 PolarHBondContact O-N 2.88Å; D496-Q499 WeakPolarHBondContact OD2-CG 3.46Å; D496-Q499 PolarHBondContact OD2-NE2 2.67Å; Q499-Y501 PolarHBondContact O-N 2.8Å
500	P	89.9	Confident	89.7	Confident	106 Å²	106	70.6 Å²	70.6	69%	0.688	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-58.8	121.3	166.6	-22.2	34	0	0	0	110.7
501	Y	92.4	Very high	89.8	Confident	28 Å²	28	73.7 Å²	73.7	11%	0.11	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-73.7	142.9	178.5	174.7	-97.3	0	0	0	111.6	Q368 A372 L373 Y495 W497 Q499 H503 D507 F508	Q368-Y501 VanDerWaalsContact OE1-N 3.08Å; A372-Y501 WeakPolarHBondContact O-CD1 3.15Å; A372-Y501 WeakPolarHBondContact O-CE1 3.34Å; L373-Y501 HydrophobicContact CD2-CD1 3.95Å; L373-Y501 HydrophobicContact CD2-CE1 4.16Å; L373-Y501 HydrophobicContact CD2-CG 4.39Å; Y495-Y501 HydrophobicContact CD1-CD2 4.33Å; Y495-Y501 HydrophobicContact CD1-CE2 4.08Å; Y495-Y501 AromaticContact CE1-CE2 3.97Å; Y495-Y501 HydrophobicContact CE1-CE2 3.97Å; W497-Y501 HydrophobicContact CZ3-CD2 4.13Å; W497-Y501 HydrophobicContact CZ3-CG 4.25Å; Q499-Y501 PolarHBondContact O-N 2.8Å; Y501-H503 HydrophobicContact CE1-CB 3.77Å; Y501-D507 WeakPolarHBondContact OH-CB 3.22Å; Y501-D507 PolarHBondContact OH-OD2 3.34Å; Y501-F508 HydrophobicContact CE1-CE2 4.09Å; Y501-F508 AromaticContact CE1-CZ 3.9Å; Y501-F508 HydrophobicContact CE1-CZ 3.9Å; Y501-F508 HydrophobicContact CE2-CE1 4.32Å; Y501-F508 AromaticContact CE2-CZ 3.78Å; Y501-F508 HydrophobicContact CE2-CZ 3.78Å; Y501-F508 AromaticContact CZ-CE2 3.79Å; Y501-F508 AromaticContact CZ-CZ 3.35Å; Y501-F508 VanDerWaalsContact OH-CE2 3.3Å; Y501-F508 WeakPolarHBondContact OH-CE2 3.18Å; Y501-F508 WeakPolarHBondContact OH-CZ 3.24Å
502	V	90.5	Very high	90.4	Very high	124 Å²	124	70 Å²	70	75%	0.752	38%	0.384	S	S	*	.			trans	-130.5	118.8	176.3	-178.5	0	0	0	0	108.4
503	H	89.9	Confident	91.2	Very high	57 Å²	57	70.9 Å²	70.9	26%	0.264	39%	0.387	S	S	.	.			trans	-75.5	136.7	-173	-174.3	96.2	0	0	0	113.7	L373 P375 Y501	L373-H503 PolarHBondContact O-CE1 2.82Å; L373-H503 PolarHBondContact O-ND1 3.15Å; P375-H503 HydrophobicContact CG-CB 3.92Å; Y501-H503 HydrophobicContact CE1-CB 3.77Å
504	S	90.5	Very high	91.8	Very high	74 Å²	74	73 Å²	73	52%	0.517	39%	0.388	S	S	.	.			trans	-112.2	158.4	169.6	-165.8	0	0	0	0	111.4	D506 D507	S504-D506 VanDerWaalsContact C-N 3.27Å; S504-D506 PolarHBondContact O-N 3.36Å; S504-D506 VanDerWaalsContact O-N 3.15Å; S504-D507 WeakPolarHBondContact CA-OD2 3.5Å; S504-D507 WeakPolarHBondContact CB-OD2 3.42Å; S504-D507 PolarHBondContact N-OD2 3.15Å; S504-D507 PolarHBondContact O-N 3.09Å; S504-D507 VanDerWaalsContact O-N 3.08Å
505	E	77.1	Confident	92.2	Very high	162 Å²	162	72 Å²	72	76%	0.757	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	-164.7	-164.8	169.1	-176.1	0	0	115.5
506	D	82.8	Confident	92.5	Very high	111 Å²	111	71.3 Å²	71.3	59%	0.594	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	12	175.6	-80.1	-50.8	0	0	0	113.4	S504 K509	S504-D506 VanDerWaalsContact C-N 3.27Å; S504-D506 PolarHBondContact O-N 3.36Å; S504-D506 VanDerWaalsContact O-N 3.15Å; D506-K509 HydrophobicContact CB-CD 4.47Å; D506-K509 WeakPolarHBondContact O-CB 3.2Å; D506-K509 PolarHBondContact O-N 2.93Å; D506-K509 WeakPolarHBondContact OD1-CD 3.15Å; D506-K509 IonicContact OD1-NZ 3.67Å; D506-K509 PolarHBondContact OD1-NZ 3.27Å
507	D	87.8	Confident	92.8	Very high	44 Å²	44	69.7 Å²	69.7	24%	0.235	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	148.7	179.4	-78.4	-30.3	0	0	0	112.2	Y501 S504 K509	Y501-D507 WeakPolarHBondContact OH-CB 3.22Å; Y501-D507 PolarHBondContact OH-OD2 3.34Å; S504-D507 WeakPolarHBondContact CA-OD2 3.5Å; S504-D507 WeakPolarHBondContact CB-OD2 3.42Å; S504-D507 PolarHBondContact N-OD2 3.15Å; S504-D507 PolarHBondContact O-N 3.09Å; S504-D507 VanDerWaalsContact O-N 3.08Å; D507-K509 PolarHBondContact O-N 3.49Å
508	F	93.9	Very high	92.9	Very high	8 Å²	8	69.7 Å²	69.7	4%	0.035	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	0.7	-175.8	-44.9	-49.1	0	0	0	115.9	L373 F374 Q436 P437 V439 Y495 W497 Y501 C510	L373-F508 HydrophobicContact CD2-CE2 4.11Å; L373-F508 HydrophobicContact CD2-CZ 3.81Å; F374-F508 HydrophobicContact CE1-CD2 4.23Å; F374-F508 HydrophobicContact CE1-CE2 4.34Å; Q436-F508 HydrophobicContact CB-CD1 4.07Å; Q436-F508 HydrophobicContact CB-CE1 4.19Å; P437-F508 HydrophobicContact CB-CB 4.18Å; P437-F508 HydrophobicContact CB-CD1 4.16Å; P437-F508 HydrophobicContact CB-CD2 3.9Å; P437-F508 HydrophobicContact CB-CE2 4.31Å; P437-F508 HydrophobicContact CB-CG 3.8Å; P437-F508 HydrophobicContact CG-CD1 4.14Å; P437-F508 HydrophobicContact CG-CD2 3.97Å; P437-F508 HydrophobicContact CG-CE1 4.08Å; P437-F508 HydrophobicContact CG-CE2 3.86Å; P437-F508 HydrophobicContact CG-CG 4.1Å; P437-F508 HydrophobicContact CG-CZ 3.92Å; P437-F508 WeakPolarHBondContact O-CB 3.43Å; V439-F508 HydrophobicContact CG2-CB 4.14Å; V439-F508 PolarHBondContact N-O 3.02Å; Y495-F508 HydrophobicContact CE1-CE1 4.13Å; Y495-F508 HydrophobicContact CE2-CE1 4.3Å; Y495-F508 AromaticContact CZ-CE1 3.83Å; W497-F508 HydrophobicContact CH2-CE1 4.14Å; W497-F508 HydrophobicContact CH2-CZ 4.19Å; Y501-F508 HydrophobicContact CE1-CE2 4.09Å; Y501-F508 AromaticContact CE1-CZ 3.9Å; Y501-F508 HydrophobicContact CE1-CZ 3.9Å; Y501-F508 HydrophobicContact CE2-CE1 4.32Å; Y501-F508 AromaticContact CE2-CZ 3.78Å; Y501-F508 HydrophobicContact CE2-CZ 3.78Å; Y501-F508 AromaticContact CZ-CE2 3.79Å; Y501-F508 AromaticContact CZ-CZ 3.35Å; Y501-F508 VanDerWaalsContact OH-CE2 3.3Å; Y501-F508 WeakPolarHBondContact OH-CE2 3.18Å; Y501-F508 WeakPolarHBondContact OH-CZ 3.24Å; F508-C510 PolarHBondContact O-N 3.02Å
509	K	95.1	Very high	93.2	Very high	85 Å²	85	67.8 Å²	67.8	37%	0.37	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-73.2	113.9	-172.9	-156.9	170.8	-160.5	154.5	0	113	E442 D506 D507	E442-K509 WeakPolarHBondContact OE1-CE 3.19Å; E442-K509 IonicContact OE1-NZ 2.88Å; E442-K509 PolarHBondContact OE1-NZ 3.06Å; E442-K509 IonicContact OE2-NZ 3.54Å; D506-K509 HydrophobicContact CB-CD 4.47Å; D506-K509 WeakPolarHBondContact O-CB 3.2Å; D506-K509 PolarHBondContact O-N 2.93Å; D506-K509 WeakPolarHBondContact OD1-CD 3.15Å; D506-K509 IonicContact OD1-NZ 3.67Å; D506-K509 PolarHBondContact OD1-NZ 3.27Å; D507-K509 PolarHBondContact O-N 3.49Å
510	C	96.3	Very high	93.5	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.054	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-80.6	129.1	176.9	-64.4	0	0	0	0	110.5	V439 I440 A488 V489 F508 I512	V439-C510 VanDerWaalsContact O-CB 3.28Å; V439-C510 WeakPolarHBondContact O-CB 3.3Å; V439-C510 PolarHBondContact O-N 3.44Å; I440-C510 HydrophobicContact CG2-CB 4.48Å; A488-C510 HydrophobicContact CB-CB 4.36Å; V489-C510 VanDerWaalsContact O-CB 3.24Å; V489-C510 WeakPolarHBondContact O-CB 3.27Å; F508-C510 PolarHBondContact O-N 3.02Å; C510-I512 PolarHBondContact O-N 2.96Å
511	P	96.1	Very high	93.9	Very high	69 Å²	69	61.4 Å²	61.4	45%	0.448	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.4	134.3	174.7	27.3	-31	0	0	0	110.7	V489 K513	V489-P511 HydrophobicContact CB-CG 4.17Å; V489-P511 PolarHBondContact N-O 3.47Å; P511-K513 PolarHBondContact O-N 2.82Å
512	I	97.4	Very high	94.2	Very high	68 Å²	68	68.6 Å²	68.6	35%	0.349	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.9	174.6	-52	-54.5	0	0	0	108.7	I440 Y441 V486 A488 C510 E514 E515	I440-I512 VanDerWaalsContact O-CD1 3.31Å; I440-I512 WeakPolarHBondContact O-CD1 3.43Å; Y441-I512 HydrophobicContact CD2-CD1 4.37Å; V486-I512 HydrophobicContact CG1-CD1 3.99Å; V486-I512 HydrophobicContact CG1-CG2 3.88Å; A488-I512 HydrophobicContact CB-CD1 3.96Å; C510-I512 PolarHBondContact O-N 2.96Å; I512-E514 WeakPolarHBondContact CG2-O 3.17Å; I512-E515 HydrophobicContact CG2-CB 4.14Å
513	K	96.9	Very high	94.6	Very high	131 Å²	131	63.5 Å²	63.5	57%	0.57	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-40.1	176.4	171.1	-178.8	172.6	-176.5	0	111.6	E467 T487 V489 P511	E467-K513 VanDerWaalsContact CD-CD 3.47Å; E467-K513 VanDerWaalsContact OE1-CD 3.26Å; E467-K513 WeakPolarHBondContact OE1-CD 3.38Å; E467-K513 WeakPolarHBondContact OE1-CE 3.45Å; E467-K513 IonicContact OE1-NZ 3.32Å; E467-K513 PolarHBondContact OE1-NZ 3.31Å; E467-K513 WeakPolarHBondContact OE2-CD 3.49Å; E467-K513 WeakPolarHBondContact OE2-CE 3.38Å; E467-K513 IonicContact OE2-NZ 3.07Å; E467-K513 PolarHBondContact OE2-NZ 3.48Å; T487-K513 HydrophobicContact CG2-CB 4.45Å; T487-K513 HydrophobicContact CG2-CD 4.22Å; T487-K513 PolarHBondContact O-N 2.79Å; V489-K513 HydrophobicContact CG2-CB 3.82Å; P511-K513 PolarHBondContact O-N 2.82Å
514	E	96.8	Very high	95	Very high	74 Å²	74	61.7 Å²	61.7	35%	0.346	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.2	-178.1	-167	-163.1	-134.4	0	0	109.8	R485 V486 T487 I512 V516	R485-E514 IonicContact CZ-OE2 2.75Å; R485-E514 VanDerWaalsContact CZ-OE2 3.32Å; R485-E514 IonicContact NE-OE2 3.7Å; R485-E514 PolarHBondContact NE-OE2 2.83Å; R485-E514 IonicContact NH2-OE1 2.82Å; R485-E514 PolarHBondContact NH2-OE1 3.29Å; R485-E514 IonicContact NH2-OE2 3.79Å; R485-E514 PolarHBondContact NH2-OE2 2.75Å; V486-E514 WeakPolarHBondContact CA-O 3.13Å; T487-E514 PolarHBondContact N-O 2.71Å; T487-E514 PolarHBondContact O-N 3.38Å; I512-E514 WeakPolarHBondContact CG2-O 3.17Å; E514-V516 VanDerWaalsContact CD-CG2 3.42Å; E514-V516 HydrophobicContact CG-CG2 3.7Å
515	E	98	Very high	95.4	Very high	63 Å²	63	58.2 Å²	58.2	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	117	167.5	-179.9	170.3	-171.5	0	0	109.6	Y441 K477 Y484 R485 V486 I512	Y441-E515 PolarHBondContact OH-OE1 2.94Å; K477-E515 WeakPolarHBondContact CE-OE1 3.46Å; K477-E515 IonicContact NZ-OE1 2.8Å; K477-E515 PolarHBondContact NZ-OE1 2.86Å; K477-E515 IonicContact NZ-OE2 2.96Å; K477-E515 PolarHBondContact NZ-OE2 3.42Å; Y484-E515 HydrophobicContact CD1-CG 4.12Å; R485-E515 CarbonylContact O-C 3.59Å; R485-E515 WeakPolarHBondContact O-CA 3.46Å; V486-E515 HydrophobicContact CG2-CG 4.21Å; I512-E515 HydrophobicContact CG2-CB 4.14Å
516	V	98.3	Very high	96.4	Very high	34 Å²	34	50.9 Å²	50.9	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.3	-174.8	-168.5	0	0	0	0	109.3	Y484 R485 E514 L518 P564	Y484-V516 CarbonylContact C-O 3.57Å; Y484-V516 VanDerWaalsContact CA-O 3.31Å; Y484-V516 WeakPolarHBondContact CA-O 3.3Å; R485-V516 HydrophobicContact CB-CB 4.41Å; R485-V516 PolarHBondContact N-O 2.96Å; R485-V516 PolarHBondContact O-N 3.45Å; E514-V516 VanDerWaalsContact CD-CG2 3.42Å; E514-V516 HydrophobicContact CG-CG2 3.7Å; V516-L518 HydrophobicContact CG1-CD2 4.4Å; V516-L518 PolarHBondContact O-N 3.48Å; V516-P564 HydrophobicContact CG1-CG 3.75Å
517	A	98.4	Very high	96.9	Very high	53 Å²	53	45.9 Å²	45.9	44%	0.438	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	121.1	170	0	0	0	0	0	109.8	Y484	Y484-A517 HydrophobicContact CD1-CB 3.94Å; Y484-A517 HydrophobicContact CE1-CB 3.72Å
518	L	98.7	Very high	97.1	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-92.5	-22.8	178.7	-51.8	-175.6	0	0	0	112	I471 L483 R485 V516 V542 P564	I471-L518 HydrophobicContact CD1-CD1 4.1Å; I471-L518 HydrophobicContact CG1-CD1 4.3Å; I471-L518 HydrophobicContact CG2-CD1 4.4Å; L483-L518 HydrophobicContact CB-CB 4.05Å; L483-L518 HydrophobicContact CB-CD1 4.37Å; L483-L518 WeakPolarHBondContact O-CB 3.39Å; L483-L518 PolarHBondContact O-N 3.47Å; R485-L518 HydrophobicContact CB-CD1 4.28Å; R485-L518 HydrophobicContact CB-CD2 3.99Å; R485-L518 HydrophobicContact CB-CG 4.35Å; V516-L518 HydrophobicContact CG1-CD2 4.4Å; V516-L518 PolarHBondContact O-N 3.48Å; L518-V542 HydrophobicContact CD1-CG1 4.27Å; L518-P564 HydrophobicContact CD2-CB 4.07Å; L518-P564 HydrophobicContact CD2-CG 3.97Å
519	T	98.8	Very high	96.7	Very high	8 Å²	8	51.1 Å²	51.1	5%	0.049	28%	0.277	C	S	.	.			trans	-136.2	158.6	175.9	63.5	0	0	0	0	110.5	H482 L483 W523 V525 F544 V559 I567	H482-T519 WeakPolarHBondContact CA-OG1 3.3Å; H482-T519 VanDerWaalsContact CB-OG1 3.29Å; H482-T519 WeakPolarHBondContact CB-OG1 3.48Å; H482-T519 WeakPolarHBondContact ND1-CB 3.38Å; H482-T519 PolarHBondContact ND1-OG1 3.27Å; L483-T519 HydrophobicContact CB-CG2 4.32Å; L483-T519 HydrophobicContact CD1-CG2 4.41Å; L483-T519 PolarHBondContact N-OG1 2.87Å; L483-T519 PolarHBondContact O-N 3.44Å; T519-W523 HydrophobicContact CG2-CH2 3.93Å; T519-W523 HydrophobicContact CG2-CZ2 4.48Å; T519-V525 HydrophobicContact CG2-CG2 4.41Å; T519-F544 HydrophobicContact CG2-CE1 3.96Å; T519-F544 HydrophobicContact CG2-CE2 4.19Å; T519-F544 HydrophobicContact CG2-CZ 3.62Å; T519-V559 HydrophobicContact CG2-CG1 4.48Å; T519-I567 HydrophobicContact CG2-CD1 4.07Å
520	G	98.1	Very high	96	Very high	40 Å²	40	49.9 Å²	49.9	41%	0.412	29%	0.288	S	S	.	.			trans	-169	155.1	177.4	0	0	0	0	0	113.7	H482 W523	H482-G520 VanDerWaalsContact CE1-CA 3.49Å; H482-G520 WeakPolarHBondContact CE1-CA 3.37Å; H482-G520 PolarHBondContact ND1-N 2.83Å; G520-W523 PolarHBondContact O-NE1 2.73Å
521	G	98.2	Very high	95.7	Very high	42 Å²	42	50.5 Å²	50.5	43%	0.433	29%	0.293	S	S	.	.	S	Bend	trans	131.5	-178.7	177.9	0	0	0	0	0	112.9	H482 W523	H482-G521 PolarHBondContact NE2-N 3.45Å; H482-G521 PolarHBondContact NE2-O 3.38Å; G521-W523 PolarHBondContact O-N 3.04Å
522	E	98.3	Very high	95.6	Very high	180 Å²	180	52.3 Å²	52.3	84%	0.841	29%	0.293	S	S	*	.	S	Bend	trans	-82.4	56.8	179.7	-60.1	-178.2	139.6	0	0	111.8	F480	F480-E522 HydrophobicContact CE2-CB 4.02Å; F480-E522 HydrophobicContact CE2-CG 4.22Å; F480-E522 HydrophobicContact CZ-CB 3.96Å
523	W	98.6	Very high	95.7	Very high	17 Å²	17	49.9 Å²	49.9	6%	0.064	28%	0.281	C	S	.	.	S	Bend	trans	-159	158.8	-178.2	62.4	-84	0	0	0	109.1	F480 H482 T519 G520 G521 V525 F544 K548 I567	F480-W523 WeakPolarHBondContact CB-O 3.48Å; H482-W523 AromaticContact CE1-CD2 3.97Å; H482-W523 AromaticContact CE1-CE2 3.7Å; H482-W523 AromaticContact CE1-CZ2 3.86Å; H482-W523 AromaticContact CE1-NE1 4Å; H482-W523 PolarHBondContact CE1-O 2.9Å; H482-W523 PolarHBondContact NE2-O 2.9Å; H482-W523 VanDerWaalsContact NE2-O 3.15Å; T519-W523 HydrophobicContact CG2-CH2 3.93Å; T519-W523 HydrophobicContact CG2-CZ2 4.48Å; G520-W523 PolarHBondContact O-NE1 2.73Å; G521-W523 PolarHBondContact O-N 3.04Å; W523-V525 HydrophobicContact CH2-CG2 4.09Å; W523-V525 HydrophobicContact CZ3-CG2 3.73Å; W523-F544 AromaticContact CH2-CE2 3.78Å; W523-F544 HydrophobicContact CH2-CE2 3.78Å; W523-F544 HydrophobicContact CH2-CZ 4.06Å; W523-F544 AromaticContact CZ3-CE2 3.85Å; W523-F544 HydrophobicContact CZ3-CE2 3.85Å; W523-K548 HydrophobicContact CD2-CB 3.57Å; W523-K548 HydrophobicContact CD2-CD 4.48Å; W523-K548 HydrophobicContact CD2-CG 3.86Å; W523-K548 HydrophobicContact CE3-CB 3.67Å; W523-K548 HydrophobicContact CE3-CG 4.4Å; W523-K548 HydrophobicContact CG-CB 4.01Å; W523-K548 HydrophobicContact CG-CG 4.15Å; W523-K548 HydrophobicContact CH2-CB 4.39Å; W523-K548 HydrophobicContact CH2-CD 4.31Å; W523-K548 HydrophobicContact CZ2-CB 4.32Å; W523-K548 HydrophobicContact CZ2-CD 3.85Å; W523-K548 HydrophobicContact CZ2-CG 4.14Å; W523-K548 HydrophobicContact CZ3-CB 4.09Å; W523-I567 HydrophobicContact CH2-CD1 4.19Å; W523-I567 HydrophobicContact CZ2-CD1 3.84Å
524	E	98.6	Very high	95.7	Very high	18 Å²	18	45 Å²	45	8%	0.084	26%	0.259	C	S	.	.			trans	-118.4	150.1	-173.1	62.9	-176.1	-107.5	0	0	114.2	F480 C481 G546 T547 Q713 R714 G715	F480-E524 HydrophobicContact CD1-CB 4.48Å; C481-E524 HydrophobicContact CB-CB 4.16Å; E524-G546 CarbonylContact O-C 3.53Å; E524-G546 WeakPolarHBondContact O-CA 3.49Å; E524-T547 HydrophobicContact CG-CG2 4.41Å; E524-T547 PolarHBondContact N-OG1 3.3Å; E524-T547 PolarHBondContact O-N 3.24Å; E524-T547 PolarHBondContact O-OG1 3.14Å; E524-Q713 PolarHBondContact OE1-NE2 3.46Å; E524-Q713 PolarHBondContact OE1-OE1 3.32Å; E524-Q713 WeakPolarHBondContact OE2-CA 3.44Å; E524-R714 PolarHBondContact OE2-N 2.77Å; E524-G715 PolarHBondContact OE2-N 2.82Å
525	V	98.8	Very high	95.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-87.6	127.4	170.1	175.3	0	0	0	0	109.3	I454 C481 L483 T519 W523 A527 F544 Q545	I454-V525 HydrophobicContact CD1-CG1 4.12Å; C481-V525 WeakPolarHBondContact O-CB 3.48Å; C481-V525 PolarHBondContact O-N 3.19Å; C481-V525 PolarHBondContact SG-O 2.98Å; C481-V525 VanDerWaalsContact SG-O 3.36Å; L483-V525 HydrophobicContact CD2-CG1 4.2Å; L483-V525 HydrophobicContact CG-CG1 4.11Å; L483-V525 HydrophobicContact CG-CG2 4.3Å; T519-V525 HydrophobicContact CG2-CG2 4.41Å; W523-V525 HydrophobicContact CH2-CG2 4.09Å; W523-V525 HydrophobicContact CZ3-CG2 3.73Å; V525-A527 PolarHBondContact O-N 2.55Å; V525-F544 HydrophobicContact CG1-CB 4.28Å; V525-F544 HydrophobicContact CG1-CD2 4.01Å; V525-F544 HydrophobicContact CG1-CG 4.46Å; V525-F544 HydrophobicContact CG2-CD2 3.97Å; V525-F544 HydrophobicContact CG2-CE2 4.04Å; V525-Q545 WeakPolarHBondContact CA-O 3.3Å
526	L	97.9	Very high	95.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	24%	0.236	C	C	.	.			trans	-75.1	114.3	-177.6	-50.9	-169.7	0	0	0	110.7	S531 Q545 T547 H554	L526-S531 WeakPolarHBondContact O-CB 3.2Å; L526-Q545 HydrophobicContact CB-CB 4.12Å; L526-Q545 HydrophobicContact CD1-CB 3.98Å; L526-Q545 HydrophobicContact CG-CB 4.14Å; L526-Q545 PolarHBondContact N-O 3.13Å; L526-T547 HydrophobicContact CD2-CG2 4.27Å; L526-H554 HydrophobicContact CD1-CB 3.84Å; L526-H554 VanDerWaalsContact CD1-CG 3.49Å; L526-H554 VanDerWaalsContact CD1-ND1 3.34Å; L526-H554 WeakPolarHBondContact CD1-ND1 3.38Å
527	A	93.5	Very high	95.8	Very high	7 Å²	7	41 Å²	41	6%	0.058	24%	0.239	C	C	.	.			trans	-120.8	-1.9	-172.6	0	0	0	0	0	114.2	H452 D453 I454 V525 S531	H452-A527 HydrophobicContact CB-CB 3.47Å; H452-A527 VanDerWaalsContact CB-CB 3.47Å; H452-A527 WeakPolarHBondContact CB-O 3.28Å; D453-A527 PolarHBondContact N-O 2.93Å; I454-A527 HydrophobicContact CD1-CB 3.43Å; I454-A527 VanDerWaalsContact CD1-CB 3.43Å; I454-A527 HydrophobicContact CG1-CB 3.88Å; V525-A527 PolarHBondContact O-N 2.55Å; A527-S531 CarbonylContact C-O 3.54Å
528	R	91.6	Very high	95.7	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.147	25%	0.254	C	S	.	.	S	Bend	trans	-120.7	168.2	-174.4	-65.6	-172.8	61.9	-176.2	-5.1	112.6	D279 N450 V451 H452 G530 S531 Q677	D279-R528 IonicContact OD2-NH2 3.9Å; D279-R528 PolarHBondContact OD2-NH2 2.96Å; N450-R528 PolarHBondContact OD1-NH1 2.78Å; V451-R528 WeakPolarHBondContact O-CD 3.47Å; V451-R528 WeakPolarHBondContact O-CG 3.21Å; H452-R528 HydrophobicContact CB-CG 3.85Å; R528-G530 VanDerWaalsContact C-N 3.31Å; R528-G530 PolarHBondContact O-N 2.8Å; R528-S531 WeakPolarHBondContact O-CB 3.47Å; R528-S531 PolarHBondContact O-N 2.97Å; R528-S531 PolarHBondContact O-OG 3.04Å; R528-Q677 VanDerWaalsContact NH2-CD 3.29Å
529	H	86.4	Confident	95.6	Very high	123 Å²	123	44.3 Å²	44.3	57%	0.569	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.1	175.6	-48.8	-50.9	0	0	0	114	D279 S531	D279-H529 IonicContact OD2-CE1 2.88Å; D279-H529 PolarHBondContact OD2-CE1 3.35Å; D279-H529 IonicContact OD2-ND1 3.47Å; D279-H529 PolarHBondContact OD2-ND1 2.82Å; H529-S531 VanDerWaalsContact C-N 3.3Å; H529-S531 PolarHBondContact O-N 3.37Å
530	G	79.8	Confident	95.6	Very high	59 Å²	59	47.4 Å²	47.4	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-4.3	-179.1	0	0	0	0	0	115.1	R528	R528-G530 VanDerWaalsContact C-N 3.31Å; R528-G530 PolarHBondContact O-N 2.8Å
531	S	90.7	Very high	95.6	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	26%	0.258	C	S	.	.			trans	-70.1	128.4	167.7	-50.4	0	0	0	0	109.8	L526 A527 R528 H529	L526-S531 WeakPolarHBondContact O-CB 3.2Å; A527-S531 CarbonylContact C-O 3.54Å; R528-S531 WeakPolarHBondContact O-CB 3.47Å; R528-S531 PolarHBondContact O-N 2.97Å; R528-S531 PolarHBondContact O-OG 3.04Å; H529-S531 VanDerWaalsContact C-N 3.3Å; H529-S531 PolarHBondContact O-N 3.37Å
532	K	94.3	Very high	95.6	Very high	106 Å²	106	43.7 Å²	43.7	46%	0.461	24%	0.237	S	C	.	.			trans	-149.1	172.8	-174.9	64.5	-176.3	177.1	-174.4	0	111.1	W534	K532-W534 HydrophobicContact CG-CH2 4.4Å; K532-W534 HydrophobicContact CG-CZ2 3.99Å; K532-W534 WeakPolarHBondContact O-CZ3 3.34Å
533	I	98.3	Very high	95.6	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.092	20%	0.198	C	C	.	.			trans	-93.7	158.8	168.6	65.7	175.9	0	0	0	112.1	I454 I471 L483 V535 V542 Y543 F544	I454-I533 HydrophobicContact CD1-CG2 3.93Å; I454-I533 HydrophobicContact CG1-CG2 4.3Å; I454-I533 HydrophobicContact CG2-CD1 3.84Å; I454-I533 HydrophobicContact CG2-CG1 4.12Å; I454-I533 HydrophobicContact CG2-CG2 4.15Å; I471-I533 HydrophobicContact CB-CD1 4.13Å; I471-I533 HydrophobicContact CG2-CD1 3.69Å; L483-I533 HydrophobicContact CD1-CG2 4.04Å; L483-I533 HydrophobicContact CD2-CG2 3.79Å; I533-V535 HydrophobicContact CD1-CG2 3.72Å; I533-V535 HydrophobicContact CG1-CG2 4.18Å; I533-V542 HydrophobicContact CB-CG2 3.8Å; I533-V542 HydrophobicContact CD1-CG2 4.01Å; I533-V542 HydrophobicContact CG1-CG2 4.41Å; I533-V542 HydrophobicContact CG2-CG2 4.06Å; I533-Y543 CarbonylContact C-O 3.59Å; I533-Y543 VanDerWaalsContact CA-O 3.23Å; I533-Y543 WeakPolarHBondContact CA-O 3.32Å; I533-F544 HydrophobicContact CG2-CB 3.92Å
534	W	98.4	Very high	95.6	Very high	29 Å²	29	34.6 Å²	34.6	11%	0.11	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.7	164.6	-52.7	-102.3	0	0	0	108.6	K532 Y543 L556 C579 M581 F585	K532-W534 HydrophobicContact CG-CH2 4.4Å; K532-W534 HydrophobicContact CG-CZ2 3.99Å; K532-W534 WeakPolarHBondContact O-CZ3 3.34Å; W534-Y543 PolarHBondContact N-O 3.3Å; W534-Y543 PolarHBondContact O-N 2.87Å; W534-L556 HydrophobicContact CZ3-CD1 3.93Å; W534-C579 VanDerWaalsContact CH2-O 3.28Å; W534-C579 WeakPolarHBondContact CH2-O 3.48Å; W534-M581 HydrophobicContact CB-CB 4.14Å; W534-M581 HydrophobicContact CB-CG 4.06Å; W534-M581 HydrophobicContact CD2-CB 3.77Å; W534-M581 HydrophobicContact CD2-CG 3.44Å; W534-M581 VanDerWaalsContact CD2-CG 3.44Å; W534-M581 HydrophobicContact CE3-CB 4.4Å; W534-M581 HydrophobicContact CE3-CG 3.57Å; W534-M581 HydrophobicContact CG-CB 3.63Å; W534-M581 HydrophobicContact CG-CG 3.68Å; W534-M581 HydrophobicContact CZ3-CG 4.19Å; W534-F585 HydrophobicContact CB-CE1 3.65Å; W534-F585 HydrophobicContact CB-CZ 4.22Å
535	V	98.4	Very high	95.6	Very high	6 Å²	6	34 Å²	34	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118	-173.1	-176.7	0	0	0	0	110.1	Y456 F458 I471 I533 E537 V542 Y561 F585	Y456-V535 HydrophobicContact CD1-CB 4.04Å; Y456-V535 HydrophobicContact CD1-CG1 4.16Å; Y456-V535 HydrophobicContact CD1-CG2 3.83Å; Y456-V535 HydrophobicContact CD2-CB 4.24Å; Y456-V535 HydrophobicContact CD2-CG2 3.9Å; Y456-V535 HydrophobicContact CE1-CB 3.78Å; Y456-V535 HydrophobicContact CE1-CG1 3.82Å; Y456-V535 HydrophobicContact CE1-CG2 4.12Å; Y456-V535 HydrophobicContact CE2-CB 3.98Å; Y456-V535 HydrophobicContact CE2-CG2 4.16Å; Y456-V535 HydrophobicContact CG-CB 4.27Å; Y456-V535 HydrophobicContact CG-CG2 3.73Å; F458-V535 HydrophobicContact CE1-CG1 3.81Å; F458-V535 HydrophobicContact CZ-CG1 4.12Å; I471-V535 HydrophobicContact CD1-CG1 4.35Å; I471-V535 HydrophobicContact CD1-CG2 4.06Å; I533-V535 HydrophobicContact CD1-CG2 3.72Å; I533-V535 HydrophobicContact CG1-CG2 4.18Å; V535-E537 HydrophobicContact CG1-CG 4.4Å; V535-V542 HydrophobicContact CG2-CB 4.48Å; V535-V542 HydrophobicContact CG2-CG2 4.02Å; V535-Y561 HydrophobicContact CG1-CD1 4.03Å; V535-Y561 HydrophobicContact CG1-CE1 3.53Å; V535-F585 WeakPolarHBondContact O-CZ 3.45Å
536	N	98.1	Very high	95.6	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.112	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	97.4	174.4	-173.5	-22.1	0	0	0	109.8	A538 T539 K540 L541 Y543 F585	N536-A538 PolarHBondContact O-N 3.42Å; N536-A538 WeakPolarHBondContact OD1-CB 3.48Å; N536-A538 PolarHBondContact OD1-N 2.88Å; N536-A538 VanDerWaalsContact OD1-N 3.07Å; N536-T539 WeakPolarHBondContact CB-OG1 3.39Å; N536-T539 PolarHBondContact ND2-OG1 2.83Å; N536-T539 PolarHBondContact O-N 3.09Å; N536-T539 PolarHBondContact OD1-N 2.92Å; N536-K540 PolarHBondContact O-N 2.92Å; N536-L541 PolarHBondContact N-O 2.8Å; N536-L541 PolarHBondContact O-N 3.23Å; N536-Y543 HydrophobicContact CB-CE2 4.35Å; N536-F585 HydrophobicContact CB-CB 4.44Å; N536-F585 HydrophobicContact CB-CD1 3.75Å; N536-F585 HydrophobicContact CB-CD2 3.87Å; N536-F585 HydrophobicContact CB-CE1 3.87Å; N536-F585 HydrophobicContact CB-CE2 4.02Å; N536-F585 HydrophobicContact CB-CG 3.75Å; N536-F585 HydrophobicContact CB-CZ 4.02Å; N536-F585 VanDerWaalsContact ND2-CB 3.33Å; N536-F585 WeakPolarHBondContact ND2-CB 3.33Å; N536-F585 WeakPolarHBondContact ND2-CG 3.3Å
537	E	97.1	Very high	95.7	Very high	59 Å²	59	33.8 Å²	33.8	28%	0.276	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.1	-177.5	-58.5	-174.9	122.1	0	0	114.1	R387 Y456 F458 V535 K540 Y561	R387-E537 IonicContact CZ-OE1 2.67Å; R387-E537 IonicContact CZ-OE2 3.85Å; R387-E537 IonicContact NH1-OE1 3.02Å; R387-E537 PolarHBondContact NH1-OE1 3.08Å; R387-E537 IonicContact NH1-OE2 3.25Å; R387-E537 PolarHBondContact NH1-OE2 2.89Å; R387-E537 IonicContact NH2-OE2 3.91Å; R387-E537 PolarHBondContact NH2-OE2 2.64Å; Y456-E537 HydrophobicContact CE1-CG 4.48Å; F458-E537 HydrophobicContact CD1-CG 4.39Å; F458-E537 WeakPolarHBondContact CD1-OE1 3.45Å; F458-E537 HydrophobicContact CE1-CG 4.32Å; V535-E537 HydrophobicContact CG1-CG 4.4Å; E537-K540 WeakPolarHBondContact O-CE 3.31Å; E537-K540 PolarHBondContact O-NZ 2.97Å; E537-Y561 WeakPolarHBondContact CA-OH 3.1Å
538	A	96.4	Very high	95.9	Very high	92 Å²	92	37.6 Å²	37.6	76%	0.76	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-33.9	178.6	0	0	0	0	0	112.5	N536	N536-A538 PolarHBondContact O-N 3.42Å; N536-A538 WeakPolarHBondContact OD1-CB 3.48Å; N536-A538 PolarHBondContact OD1-N 2.88Å; N536-A538 VanDerWaalsContact OD1-N 3.07Å
539	T	97.1	Very high	96.3	Very high	37 Å²	37	39.3 Å²	39.3	23%	0.227	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	1	178.4	67.3	0	0	0	0	114	N536 L541 P613	N536-T539 WeakPolarHBondContact CB-OG1 3.39Å; N536-T539 PolarHBondContact ND2-OG1 2.83Å; N536-T539 PolarHBondContact O-N 3.09Å; N536-T539 PolarHBondContact OD1-N 2.92Å; T539-L541 VanDerWaalsContact C-N 3.26Å; T539-L541 WeakPolarHBondContact O-CG 3.42Å; T539-L541 PolarHBondContact O-N 2.89Å; T539-L541 WeakPolarHBondContact OG1-CG 3.31Å; T539-P613 HydrophobicContact CG2-CB 3.75Å; T539-P613 HydrophobicContact CG2-CG 4.26Å
540	K	98.1	Very high	96.8	Very high	73 Å²	73	35.1 Å²	35.1	32%	0.317	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.9	-176.3	-48.2	-57.1	-179.2	-161.4	0	114.3	N536 E537 S560 Y561 E562	N536-K540 PolarHBondContact O-N 2.92Å; E537-K540 WeakPolarHBondContact O-CE 3.31Å; E537-K540 PolarHBondContact O-NZ 2.97Å; K540-S560 WeakPolarHBondContact O-CA 3.27Å; K540-S560 PolarHBondContact O-OG 3Å; K540-Y561 VanDerWaalsContact CA-CE1 3.44Å; K540-Y561 HydrophobicContact CB-CE1 4.33Å; K540-Y561 HydrophobicContact CD-CE2 4.22Å; K540-Y561 WeakPolarHBondContact CD-OH 3.26Å; K540-Y561 WeakPolarHBondContact O-CD1 3.45Å; K540-Y561 PolarHBondContact O-N 2.62Å; K540-E562 HydrophobicContact CB-CB 3.79Å; K540-E562 HydrophobicContact CG-CB 4.21Å
541	L	98.6	Very high	97.7	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.7	-178.4	-62.4	-178.3	0	0	0	111.9	N536 T539 Y543 V558 V559 P613 L614	N536-L541 PolarHBondContact N-O 2.8Å; N536-L541 PolarHBondContact O-N 3.23Å; T539-L541 VanDerWaalsContact C-N 3.26Å; T539-L541 WeakPolarHBondContact O-CG 3.42Å; T539-L541 PolarHBondContact O-N 2.89Å; T539-L541 WeakPolarHBondContact OG1-CG 3.31Å; L541-Y543 HydrophobicContact CB-CE2 4.03Å; L541-V558 HydrophobicContact CB-CG2 3.83Å; L541-V558 HydrophobicContact CD1-CG2 3.92Å; L541-V558 HydrophobicContact CD2-CG2 4.34Å; L541-V558 HydrophobicContact CG-CG2 4.23Å; L541-V559 WeakPolarHBondContact CA-O 3.4Å; L541-P613 HydrophobicContact CD1-CB 4.04Å; L541-P613 HydrophobicContact CD1-CG 4.43Å; L541-P613 WeakPolarHBondContact CD1-O 3.46Å; L541-L614 HydrophobicContact CD2-CB 4.33Å; L541-L614 HydrophobicContact CD2-CD1 3.79Å
542	V	98.8	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.2	167.2	60.5	0	0	0	0	109.9	I471 L483 L518 I533 V535 V558 V559 Y561	I471-V542 HydrophobicContact CD1-CB 4.23Å; I471-V542 HydrophobicContact CD1-CG2 4.36Å; L483-V542 HydrophobicContact CD1-CG1 4.18Å; L483-V542 HydrophobicContact CD1-CG2 4.13Å; L518-V542 HydrophobicContact CD1-CG1 4.27Å; I533-V542 HydrophobicContact CB-CG2 3.8Å; I533-V542 HydrophobicContact CD1-CG2 4.01Å; I533-V542 HydrophobicContact CG1-CG2 4.41Å; I533-V542 HydrophobicContact CG2-CG2 4.06Å; V535-V542 HydrophobicContact CG2-CB 4.48Å; V535-V542 HydrophobicContact CG2-CG2 4.02Å; V542-V558 WeakPolarHBondContact O-CA 3.31Å; V542-V559 HydrophobicContact CG1-CG1 3.58Å; V542-V559 PolarHBondContact N-O 2.86Å; V542-V559 PolarHBondContact O-N 3Å; V542-V559 VanDerWaalsContact O-N 3.1Å; V542-Y561 HydrophobicContact CB-CD1 4.46Å
543	Y	98.8	Very high	98.3	Very high	6 Å²	6	29.8 Å²	29.8	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.3	175.3	-63.3	-103.2	0	0	0	108.7	I533 W534 N536 L541 Y557 V558 L570 M581 F585 L606	I533-Y543 CarbonylContact C-O 3.59Å; I533-Y543 VanDerWaalsContact CA-O 3.23Å; I533-Y543 WeakPolarHBondContact CA-O 3.32Å; W534-Y543 PolarHBondContact N-O 3.3Å; W534-Y543 PolarHBondContact O-N 2.87Å; N536-Y543 HydrophobicContact CB-CE2 4.35Å; L541-Y543 HydrophobicContact CB-CE2 4.03Å; Y543-Y557 WeakPolarHBondContact CA-O 3.27Å; Y543-V558 HydrophobicContact CD1-CB 3.73Å; Y543-V558 HydrophobicContact CD1-CG2 3.81Å; Y543-V558 HydrophobicContact CD2-CG2 4.07Å; Y543-V558 HydrophobicContact CE1-CB 3.81Å; Y543-V558 HydrophobicContact CE1-CG1 4.39Å; Y543-V558 HydrophobicContact CE1-CG2 3.68Å; Y543-V558 HydrophobicContact CE2-CG2 3.92Å; Y543-V558 HydrophobicContact CG-CB 4.24Å; Y543-V558 HydrophobicContact CG-CG2 4.01Å; Y543-L570 HydrophobicContact CD1-CD1 3.66Å; Y543-L570 HydrophobicContact CE1-CD1 3.65Å; Y543-M581 HydrophobicContact CD1-CE 3.38Å; Y543-M581 HydrophobicContact CD1-SD 3.77Å; Y543-M581 HydrophobicContact CD2-CE 4.01Å; Y543-M581 HydrophobicContact CE1-CE 3.47Å; Y543-M581 VanDerWaalsContact CE1-CE 3.47Å; Y543-M581 HydrophobicContact CE1-SD 4.34Å; Y543-M581 HydrophobicContact CE2-CE 4.12Å; Y543-M581 HydrophobicContact CG-CE 3.67Å; Y543-M581 HydrophobicContact CG-CG 4.49Å; Y543-M581 HydrophobicContact CG-SD 4.13Å; Y543-F585 AromaticContact CD2-CD1 3.81Å; Y543-F585 HydrophobicContact CD2-CD1 3.81Å; Y543-F585 HydrophobicContact CD2-CE1 4.04Å; Y543-F585 AromaticContact CE2-CD1 3.67Å; Y543-F585 HydrophobicContact CE2-CD1 3.67Å; Y543-F585 HydrophobicContact CE2-CE1 4.3Å; Y543-L606 HydrophobicContact CE1-CD1 3.88Å
544	F	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164.8	-174.6	65.7	-87.5	0	0	0	111.6	L483 T519 W523 V525 I533 Y557 V559 I567	L483-F544 HydrophobicContact CD1-CB 4Å; L483-F544 HydrophobicContact CD1-CD1 3.84Å; L483-F544 HydrophobicContact CD1-CE1 4.48Å; L483-F544 HydrophobicContact CD1-CG 3.91Å; T519-F544 HydrophobicContact CG2-CE1 3.96Å; T519-F544 HydrophobicContact CG2-CE2 4.19Å; T519-F544 HydrophobicContact CG2-CZ 3.62Å; W523-F544 AromaticContact CH2-CE2 3.78Å; W523-F544 HydrophobicContact CH2-CE2 3.78Å; W523-F544 HydrophobicContact CH2-CZ 4.06Å; W523-F544 AromaticContact CZ3-CE2 3.85Å; W523-F544 HydrophobicContact CZ3-CE2 3.85Å; V525-F544 HydrophobicContact CG1-CB 4.28Å; V525-F544 HydrophobicContact CG1-CD2 4.01Å; V525-F544 HydrophobicContact CG1-CG 4.46Å; V525-F544 HydrophobicContact CG2-CD2 3.97Å; V525-F544 HydrophobicContact CG2-CE2 4.04Å; I533-F544 HydrophobicContact CG2-CB 3.92Å; F544-Y557 HydrophobicContact CD2-CD2 4.21Å; F544-Y557 AromaticContact CE2-CD2 3.79Å; F544-Y557 HydrophobicContact CE2-CD2 3.79Å; F544-Y557 HydrophobicContact CE2-CG 4.09Å; F544-Y557 HydrophobicContact CZ-CD2 4.35Å; F544-Y557 HydrophobicContact CZ-CG 4.18Å; F544-Y557 PolarHBondContact N-O 2.87Å; F544-Y557 PolarHBondContact O-N 2.87Å; F544-V559 HydrophobicContact CD1-CG1 4.43Å; F544-V559 HydrophobicContact CE1-CB 4.28Å; F544-V559 HydrophobicContact CE1-CG1 3.8Å; F544-I567 HydrophobicContact CE1-CG2 4.3Å; F544-I567 HydrophobicContact CZ-CG2 3.71Å
545	Q	98.7	Very high	98.4	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.023	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.1	171.3	-71.6	168.6	105.7	0	0	110.9	V525 L526 H555 L556 H577	V525-Q545 WeakPolarHBondContact CA-O 3.3Å; L526-Q545 HydrophobicContact CB-CB 4.12Å; L526-Q545 HydrophobicContact CD1-CB 3.98Å; L526-Q545 HydrophobicContact CG-CB 4.14Å; L526-Q545 PolarHBondContact N-O 3.13Å; Q545-H555 CarbonylContact C-O 3.55Å; Q545-H555 WeakPolarHBondContact CA-O 3.31Å; Q545-L556 HydrophobicContact CG-CD1 4.27Å; Q545-H577 PolarHBondContact OE1-O 2.67Å
546	G	98.6	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	176.1	-178.1	0	0	0	0	0	115	E524 H555 Y557	E524-G546 CarbonylContact O-C 3.53Å; E524-G546 WeakPolarHBondContact O-CA 3.49Å; G546-H555 PolarHBondContact N-O 3.11Å; G546-H555 PolarHBondContact O-N 2.94Å; G546-H555 VanDerWaalsContact O-N 3.16Å; G546-Y557 WeakPolarHBondContact O-CE2 3.29Å; G546-Y557 PolarHBondContact O-OH 3.03Å
547	T	98.8	Very high	98.4	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	16%	0.157	C	C	.	.			trans	-102.3	18.5	-177.3	52.1	0	0	0	0	114.4	E524 L526 D549 T550	E524-T547 HydrophobicContact CG-CG2 4.41Å; E524-T547 PolarHBondContact N-OG1 3.3Å; E524-T547 PolarHBondContact O-N 3.24Å; E524-T547 PolarHBondContact O-OG1 3.14Å; L526-T547 HydrophobicContact CD2-CG2 4.27Å; T547-D549 PolarHBondContact O-N 3.4Å; T547-T550 CarbonylContact O-C 3.49Å; T547-T550 PolarHBondContact O-N 3.5Å
548	K	98.7	Very high	98.5	Very high	86 Å²	86	25.7 Å²	25.7	37%	0.374	14%	0.144	S	C	.	.	S	Bend	trans	-54.3	-40.5	-171.4	-172.6	176.2	175.4	58.5	0	115.7	W523 Y557 I567	W523-K548 HydrophobicContact CD2-CB 3.57Å; W523-K548 HydrophobicContact CD2-CD 4.48Å; W523-K548 HydrophobicContact CD2-CG 3.86Å; W523-K548 HydrophobicContact CE3-CB 3.67Å; W523-K548 HydrophobicContact CE3-CG 4.4Å; W523-K548 HydrophobicContact CG-CB 4.01Å; W523-K548 HydrophobicContact CG-CG 4.15Å; W523-K548 HydrophobicContact CH2-CB 4.39Å; W523-K548 HydrophobicContact CH2-CD 4.31Å; W523-K548 HydrophobicContact CZ2-CB 4.32Å; W523-K548 HydrophobicContact CZ2-CD 3.85Å; W523-K548 HydrophobicContact CZ2-CG 4.14Å; W523-K548 HydrophobicContact CZ3-CB 4.09Å; K548-Y557 HydrophobicContact CB-CE1 3.78Å; K548-Y557 HydrophobicContact CB-CE2 4.35Å; K548-Y557 WeakPolarHBondContact CB-OH 3.47Å; K548-Y557 HydrophobicContact CD-CE1 4.3Å; K548-Y557 HydrophobicContact CG-CE1 4.49Å; K548-Y557 PolarHBondContact N-OH 2.56Å; K548-Y557 VanDerWaalsContact N-OH 3.16Å; K548-I567 HydrophobicContact CD-CB 4.36Å; K548-I567 HydrophobicContact CD-CD1 4.28Å; K548-I567 HydrophobicContact CD-CG2 4.04Å
549	D	98.7	Very high	98.6	Very high	76 Å²	76	21.3 Å²	21.3	41%	0.406	11%	0.108	S	C	.	.	S	Bend	trans	-78.2	-32.2	176.8	-74.7	-117.9	0	0	0	112.5	T547 Y557 R569	T547-D549 PolarHBondContact O-N 3.4Å; D549-Y557 PolarHBondContact N-OH 2.92Å; D549-Y557 WeakPolarHBondContact OD2-CE1 3.49Å; D549-Y557 PolarHBondContact OD2-OH 2.75Å; D549-R569 IonicContact OD1-CZ 3.7Å; D549-R569 VanDerWaalsContact OD1-CZ 3.22Å; D549-R569 IonicContact OD1-NE 2.83Å; D549-R569 PolarHBondContact OD1-NE 2.91Å; D549-R569 IonicContact OD1-NH2 3.76Å; D549-R569 PolarHBondContact OD1-NH2 2.98Å; D549-R569 WeakPolarHBondContact OD2-CD 3.27Å; D549-R569 IonicContact OD2-CZ 3.58Å; D549-R569 IonicContact OD2-NE 3.92Å; D549-R569 PolarHBondContact OD2-NE 3.31Å
550	T	98.6	Very high	98.7	Very high	34 Å²	34	20.5 Å²	20.5	21%	0.209	10%	0.104	C	C	.	.			trans	-172.3	146.7	176.6	170	0	0	0	0	111.4	T547 L552 E553	T547-T550 CarbonylContact O-C 3.49Å; T547-T550 PolarHBondContact O-N 3.5Å; T550-L552 HydrophobicContact CG2-CB 4.41Å; T550-L552 PolarHBondContact O-N 3.07Å; T550-L552 VanDerWaalsContact O-N 3.09Å; T550-L552 PolarHBondContact OG1-N 3.17Å; T550-L552 VanDerWaalsContact OG1-N 3.13Å; T550-E553 HydrophobicContact CG2-CB 3.64Å; T550-E553 HydrophobicContact CG2-CG 3.83Å; T550-E553 PolarHBondContact O-N 2.82Å
551	P	98.3	Very high	98.7	Very high	30 Å²	30	17.8 Å²	17.8	20%	0.195	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-7.5	170.5	29	-37.2	0	0	0	114.1	Y651 Q679	P551-Y651 HydrophobicContact CG-CE2 4.22Å; P551-Q679 PolarHBondContact O-NE2 2.94Å
552	L	98.7	Very high	98.5	Very high	24 Å²	24	22.9 Å²	22.9	13%	0.126	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-13.1	178.6	-59.6	176.7	0	0	0	114.1	T550 I639 Y651 V681 N682 N683	T550-L552 HydrophobicContact CG2-CB 4.41Å; T550-L552 PolarHBondContact O-N 3.07Å; T550-L552 VanDerWaalsContact O-N 3.09Å; T550-L552 PolarHBondContact OG1-N 3.17Å; T550-L552 VanDerWaalsContact OG1-N 3.13Å; L552-I639 HydrophobicContact CD1-CG2 3.97Å; L552-Y651 HydrophobicContact CD1-CD1 3.86Å; L552-Y651 HydrophobicContact CD1-CE1 3.76Å; L552-Y651 HydrophobicContact CD2-CD1 3.7Å; L552-Y651 HydrophobicContact CD2-CE1 4.21Å; L552-Y651 HydrophobicContact CD2-CG 4.14Å; L552-Y651 HydrophobicContact CG-CD1 4.04Å; L552-Y651 HydrophobicContact CG-CE1 4.04Å; L552-V681 HydrophobicContact CD2-CG1 4.18Å; L552-V681 VanDerWaalsContact CD2-O 3.32Å; L552-V681 WeakPolarHBondContact CD2-O 3.38Å; L552-N682 WeakPolarHBondContact O-CB 3.36Å; L552-N683 PolarHBondContact O-N 2.84Å
553	E	98.8	Very high	98.4	Very high	21 Å²	21	27.3 Å²	27.3	10%	0.098	15%	0.146	C	C	.	.			trans	-133.4	120.6	-174.1	-64.7	-178	-178.3	0	0	110.9	T550 H555 G574 F575 N683	T550-E553 HydrophobicContact CG2-CB 3.64Å; T550-E553 HydrophobicContact CG2-CG 3.83Å; T550-E553 PolarHBondContact O-N 2.82Å; E553-H555 IonicContact OE2-CE1 3.62Å; E553-H555 IonicContact OE2-NE2 3.8Å; E553-H555 PolarHBondContact OE2-NE2 2.78Å; E553-G574 VanDerWaalsContact OE1-C 3.29Å; E553-G574 WeakPolarHBondContact OE1-CA 3.33Å; E553-G574 PolarHBondContact OE1-N 3Å; E553-G574 PolarHBondContact OE2-N 3.04Å; E553-F575 PolarHBondContact OE1-N 2.97Å; E553-F575 PolarHBondContact OE2-N 3.26Å; E553-N683 HydrophobicContact CG-CB 3.89Å; E553-N683 PolarHBondContact OE1-ND2 2.99Å
554	H	98.8	Very high	98.2	Very high	43 Å²	43	29.2 Å²	29.2	20%	0.199	16%	0.16	C	C	.	.			trans	-81.7	127.1	171.5	-60.8	-175	0	0	0	107.9	L526 S576 H577	L526-H554 HydrophobicContact CD1-CB 3.84Å; L526-H554 VanDerWaalsContact CD1-CG 3.49Å; L526-H554 VanDerWaalsContact CD1-ND1 3.34Å; L526-H554 WeakPolarHBondContact CD1-ND1 3.38Å; H554-S576 WeakPolarHBondContact CB-OG 3.26Å; H554-S576 PolarHBondContact N-OG 2.87Å; H554-H577 VanDerWaalsContact CB-O 3.29Å; H554-H577 WeakPolarHBondContact CB-O 3.28Å; H554-H577 WeakPolarHBondContact O-CA 3.33Å; H554-H577 VanDerWaalsContact O-CB 3.31Å; H554-H577 WeakPolarHBondContact O-CB 3.19Å; H554-H577 PolarHBondContact O-CD2 3.11Å; H554-H577 PolarHBondContact O-N 3.38Å
555	H	98.9	Very high	98	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.2	177.4	-71.2	-55.5	0	0	0	111.8	Q545 G546 E553 Y557 R569 T571 F575 H577	Q545-H555 CarbonylContact C-O 3.55Å; Q545-H555 WeakPolarHBondContact CA-O 3.31Å; G546-H555 PolarHBondContact N-O 3.11Å; G546-H555 PolarHBondContact O-N 2.94Å; G546-H555 VanDerWaalsContact O-N 3.16Å; E553-H555 IonicContact OE2-CE1 3.62Å; E553-H555 IonicContact OE2-NE2 3.8Å; E553-H555 PolarHBondContact OE2-NE2 2.78Å; H555-Y557 HydrophobicContact CB-CD2 4.48Å; H555-Y557 HydrophobicContact CB-CE1 4.3Å; H555-Y557 HydrophobicContact CB-CE2 3.7Å; H555-Y557 VanDerWaalsContact O-CD2 3.27Å; H555-Y557 WeakPolarHBondContact O-CD2 3.47Å; H555-Y557 WeakPolarHBondContact O-CE2 3.03Å; H555-R569 HydrophobicContact CB-CG 4.12Å; H555-T571 WeakPolarHBondContact CA-OG1 3.29Å; H555-T571 VanDerWaalsContact CB-OG1 3.29Å; H555-T571 WeakPolarHBondContact CB-OG1 3.18Å; H555-T571 PolarHBondContact ND1-OG1 3.38Å; H555-F575 PolarHBondContact CE1-O 3.22Å; H555-F575 VanDerWaalsContact CE1-O 3.28Å; H555-H577 AromaticContact CE1-CD2 3.74Å; H555-H577 AromaticContact CE1-NE2 3.94Å; H555-H577 AromaticContact ND1-CD2 3.3Å; H555-H577 PolarHBondContact ND1-CD2 3.37Å; H555-H577 VanDerWaalsContact ND1-CD2 3.3Å; H555-H577 AromaticContact ND1-NE2 3.75Å
556	L	98.9	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.5	167.7	-177.5	72	0	0	0	110	W534 Q545 L570 T571 C579 M581 F588	W534-L556 HydrophobicContact CZ3-CD1 3.93Å; Q545-L556 HydrophobicContact CG-CD1 4.27Å; L556-L570 HydrophobicContact CD2-CB 4.16Å; L556-L570 HydrophobicContact CD2-CD1 4.15Å; L556-L570 HydrophobicContact CG-CB 4.32Å; L556-L570 HydrophobicContact CG-CD1 4.31Å; L556-L570 PolarHBondContact O-N 2.9Å; L556-T571 HydrophobicContact CB-CG2 3.98Å; L556-T571 PolarHBondContact N-OG1 3.01Å; L556-T571 PolarHBondContact O-OG1 3.14Å; L556-C579 HydrophobicContact CB-CB 4.18Å; L556-C579 HydrophobicContact CD1-CB 4.13Å; L556-C579 HydrophobicContact CD2-CB 4.2Å; L556-C579 HydrophobicContact CG-CB 4.41Å; L556-M581 HydrophobicContact CD1-SD 4.5Å; L556-M581 HydrophobicContact CD2-SD 3.94Å; L556-F588 HydrophobicContact CD2-CB 4.38Å; L556-F588 HydrophobicContact CD2-CD1 4.17Å; L556-F588 HydrophobicContact CD2-CD2 3.67Å; L556-F588 HydrophobicContact CD2-CE1 4.35Å; L556-F588 HydrophobicContact CD2-CE2 3.89Å; L556-F588 HydrophobicContact CD2-CG 3.83Å; L556-F588 HydrophobicContact CD2-CZ 4.22Å
557	Y	98.9	Very high	98	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	168	176.1	-48.9	-97.4	0	0	0	111.3	Y543 F544 G546 K548 D549 H555 I567 V568 R569	Y543-Y557 WeakPolarHBondContact CA-O 3.27Å; F544-Y557 HydrophobicContact CD2-CD2 4.21Å; F544-Y557 AromaticContact CE2-CD2 3.79Å; F544-Y557 HydrophobicContact CE2-CD2 3.79Å; F544-Y557 HydrophobicContact CE2-CG 4.09Å; F544-Y557 HydrophobicContact CZ-CD2 4.35Å; F544-Y557 HydrophobicContact CZ-CG 4.18Å; F544-Y557 PolarHBondContact N-O 2.87Å; F544-Y557 PolarHBondContact O-N 2.87Å; G546-Y557 WeakPolarHBondContact O-CE2 3.29Å; G546-Y557 PolarHBondContact O-OH 3.03Å; K548-Y557 HydrophobicContact CB-CE1 3.78Å; K548-Y557 HydrophobicContact CB-CE2 4.35Å; K548-Y557 WeakPolarHBondContact CB-OH 3.47Å; K548-Y557 HydrophobicContact CD-CE1 4.3Å; K548-Y557 HydrophobicContact CG-CE1 4.49Å; K548-Y557 PolarHBondContact N-OH 2.56Å; K548-Y557 VanDerWaalsContact N-OH 3.16Å; D549-Y557 PolarHBondContact N-OH 2.92Å; D549-Y557 WeakPolarHBondContact OD2-CE1 3.49Å; D549-Y557 PolarHBondContact OD2-OH 2.75Å; H555-Y557 HydrophobicContact CB-CD2 4.48Å; H555-Y557 HydrophobicContact CB-CE1 4.3Å; H555-Y557 HydrophobicContact CB-CE2 3.7Å; H555-Y557 VanDerWaalsContact O-CD2 3.27Å; H555-Y557 WeakPolarHBondContact O-CD2 3.47Å; H555-Y557 WeakPolarHBondContact O-CE2 3.03Å; Y557-I567 HydrophobicContact CD1-CG2 3.91Å; Y557-I567 HydrophobicContact CG-CG2 4.08Å; Y557-V568 CarbonylContact C-O 3.56Å; Y557-V568 VanDerWaalsContact CA-O 3.25Å; Y557-V568 WeakPolarHBondContact CA-O 3.49Å; Y557-R569 HydrophobicContact CD1-CB 3.67Å; Y557-R569 HydrophobicContact CD1-CG 4.15Å; Y557-R569 HydrophobicContact CE1-CB 3.8Å; Y557-R569 HydrophobicContact CE1-CG 4.02Å
558	V	98.8	Very high	98	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.3	169.9	62.2	0	0	0	0	110.9	L541 V542 Y543 V568 L570 L614	L541-V558 HydrophobicContact CB-CG2 3.83Å; L541-V558 HydrophobicContact CD1-CG2 3.92Å; L541-V558 HydrophobicContact CD2-CG2 4.34Å; L541-V558 HydrophobicContact CG-CG2 4.23Å; V542-V558 WeakPolarHBondContact O-CA 3.31Å; Y543-V558 HydrophobicContact CD1-CB 3.73Å; Y543-V558 HydrophobicContact CD1-CG2 3.81Å; Y543-V558 HydrophobicContact CD2-CG2 4.07Å; Y543-V558 HydrophobicContact CE1-CB 3.81Å; Y543-V558 HydrophobicContact CE1-CG1 4.39Å; Y543-V558 HydrophobicContact CE1-CG2 3.68Å; Y543-V558 HydrophobicContact CE2-CG2 3.92Å; Y543-V558 HydrophobicContact CG-CB 4.24Å; Y543-V558 HydrophobicContact CG-CG2 4.01Å; V558-V568 HydrophobicContact CG1-CB 3.96Å; V558-V568 PolarHBondContact N-O 3.4Å; V558-V568 PolarHBondContact O-N 3.17Å; V558-L570 HydrophobicContact CB-CD1 4.09Å; V558-L570 HydrophobicContact CG1-CD1 3.92Å; V558-L570 HydrophobicContact CG1-CD2 4.13Å; V558-L570 HydrophobicContact CG1-CG 4.12Å; V558-L614 HydrophobicContact CG1-CD1 4.05Å; V558-L614 HydrophobicContact CG2-CD1 4.32Å
559	V	98.8	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.9	174.6	68.8	0	0	0	0	109.7	T519 L541 V542 F544 I567	T519-V559 HydrophobicContact CG2-CG1 4.48Å; L541-V559 WeakPolarHBondContact CA-O 3.4Å; V542-V559 HydrophobicContact CG1-CG1 3.58Å; V542-V559 PolarHBondContact N-O 2.86Å; V542-V559 PolarHBondContact O-N 3Å; V542-V559 VanDerWaalsContact O-N 3.1Å; F544-V559 HydrophobicContact CD1-CG1 4.43Å; F544-V559 HydrophobicContact CE1-CB 4.28Å; F544-V559 HydrophobicContact CE1-CG1 3.8Å; V559-I567 HydrophobicContact CB-CG1 4.16Å; V559-I567 HydrophobicContact CG2-CG1 3.95Å
560	S	98.6	Very high	98	Very high	20 Å²	20	36.1 Å²	36.1	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.1	167.9	-178.3	0	0	0	0	110.7	K540 E562 S563 P564	K540-S560 WeakPolarHBondContact O-CA 3.27Å; K540-S560 PolarHBondContact O-OG 3Å; S560-E562 PolarHBondContact OG-N 2.77Å; S560-E562 VanDerWaalsContact OG-N 3.14Å; S560-S563 WeakPolarHBondContact CB-O 3.43Å; S560-S563 PolarHBondContact OG-N 2.88Å; S560-S563 VanDerWaalsContact OG-N 3.13Å; S560-P564 WeakPolarHBondContact O-CA 3.35Å
561	Y	98.1	Very high	98	Very high	16 Å²	16	34.9 Å²	34.9	6%	0.063	20%	0.197	C	C	.	.	S	Bend	trans	-92.8	-7.1	169.3	71.1	-105.2	0	0	0	113	F458 I471 R485 V535 E537 K540 V542	F458-Y561 HydrophobicContact CE1-CE1 4.19Å; F458-Y561 AromaticContact CE1-CE2 3.72Å; F458-Y561 HydrophobicContact CE1-CE2 3.72Å; F458-Y561 AromaticContact CE1-CZ 3.52Å; F458-Y561 WeakPolarHBondContact CE1-OH 3.48Å; F458-Y561 HydrophobicContact CE2-CD2 4.46Å; F458-Y561 HydrophobicContact CE2-CE2 4.25Å; F458-Y561 HydrophobicContact CZ-CD1 4.48Å; F458-Y561 AromaticContact CZ-CD2 3.77Å; F458-Y561 HydrophobicContact CZ-CD2 3.77Å; F458-Y561 HydrophobicContact CZ-CE1 4.16Å; F458-Y561 AromaticContact CZ-CE2 3.39Å; F458-Y561 HydrophobicContact CZ-CE2 3.39Å; F458-Y561 HydrophobicContact CZ-CG 4.31Å; F458-Y561 AromaticContact CZ-CZ 3.6Å; I471-Y561 HydrophobicContact CD1-CD1 4.18Å; I471-Y561 HydrophobicContact CD1-CG 3.98Å; R485-Y561 PolarHBondContact NH1-O 2.78Å; V535-Y561 HydrophobicContact CG1-CD1 4.03Å; V535-Y561 HydrophobicContact CG1-CE1 3.53Å; E537-Y561 WeakPolarHBondContact CA-OH 3.1Å; K540-Y561 VanDerWaalsContact CA-CE1 3.44Å; K540-Y561 HydrophobicContact CB-CE1 4.33Å; K540-Y561 HydrophobicContact CD-CE2 4.22Å; K540-Y561 WeakPolarHBondContact CD-OH 3.26Å; K540-Y561 WeakPolarHBondContact O-CD1 3.45Å; K540-Y561 PolarHBondContact O-N 2.62Å; V542-Y561 HydrophobicContact CB-CD1 4.46Å
562	E	95.8	Very high	98	Very high	111 Å²	111	37.3 Å²	37.3	52%	0.519	21%	0.212	S	C	.	.	S	Bend	trans	-89.9	-50.2	177	179.8	171.2	-104.2	0	0	110.9	R485 K540 S560	R485-E562 PolarHBondContact NH1-O 3.03Å; R485-E562 VanDerWaalsContact NH1-O 3.09Å; K540-E562 HydrophobicContact CB-CB 3.79Å; K540-E562 HydrophobicContact CG-CB 4.21Å; S560-E562 PolarHBondContact OG-N 2.77Å; S560-E562 VanDerWaalsContact OG-N 3.14Å
563	S	95.2	Very high	98	Very high	93 Å²	93	39.5 Å²	39.5	65%	0.65	23%	0.227	S	C	*	.	S	Bend	trans	-128.2	79.2	176	-66.4	0	0	0	0	110.1	S560	S560-S563 WeakPolarHBondContact CB-O 3.43Å; S560-S563 PolarHBondContact OG-N 2.88Å; S560-S563 VanDerWaalsContact OG-N 3.13Å
564	P	94.9	Very high	98	Very high	47 Å²	47	40.2 Å²	40.2	31%	0.305	24%	0.24	S	C	.	.			trans	-63.2	143.4	-177.5	25.5	-33.7	0	0	0	112.2	V516 L518 S560	V516-P564 HydrophobicContact CG1-CG 3.75Å; L518-P564 HydrophobicContact CD2-CB 4.07Å; L518-P564 HydrophobicContact CD2-CG 3.97Å; S560-P564 WeakPolarHBondContact O-CA 3.35Å
565	G	95.1	Very high	97.9	Very high	61 Å²	61	40.7 Å²	40.7	63%	0.629	24%	0.242	S	C	*	.			trans	-176.3	-103.7	-171	0	0	0	0	0	111.8
566	E	97.9	Very high	97.9	Very high	124 Å²	124	41.2 Å²	41.2	58%	0.579	25%	0.246	S	C	*	.			trans	-70	131.6	177.2	-172.7	167.3	162	0	0	111.8	V568 H615	E566-V568 HydrophobicContact CG-CG2 4.04Å; E566-H615 IonicContact OE1-NE2 3.65Å; E566-H615 IonicContact OE2-NE2 3.76Å
567	I	98.8	Very high	97.9	Very high	30 Å²	30	41.4 Å²	41.4	15%	0.154	25%	0.247	C	C	.	.			trans	-105.2	105.4	173.9	-61	173.6	0	0	0	107.4	T519 W523 F544 K548 Y557 V559	T519-I567 HydrophobicContact CG2-CD1 4.07Å; W523-I567 HydrophobicContact CH2-CD1 4.19Å; W523-I567 HydrophobicContact CZ2-CD1 3.84Å; F544-I567 HydrophobicContact CE1-CG2 4.3Å; F544-I567 HydrophobicContact CZ-CG2 3.71Å; K548-I567 HydrophobicContact CD-CB 4.36Å; K548-I567 HydrophobicContact CD-CD1 4.28Å; K548-I567 HydrophobicContact CD-CG2 4.04Å; Y557-I567 HydrophobicContact CD1-CG2 3.91Å; Y557-I567 HydrophobicContact CG-CG2 4.08Å; V559-I567 HydrophobicContact CB-CG1 4.16Å; V559-I567 HydrophobicContact CG2-CG1 3.95Å
568	V	98.7	Very high	97.9	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.8	-176.4	-179.3	0	0	0	0	109.8	Y557 V558 E566 L570 L614	Y557-V568 CarbonylContact C-O 3.56Å; Y557-V568 VanDerWaalsContact CA-O 3.25Å; Y557-V568 WeakPolarHBondContact CA-O 3.49Å; V558-V568 HydrophobicContact CG1-CB 3.96Å; V558-V568 PolarHBondContact N-O 3.4Å; V558-V568 PolarHBondContact O-N 3.17Å; E566-V568 HydrophobicContact CG-CG2 4.04Å; V568-L570 HydrophobicContact CG1-CD2 4.28Å; V568-L614 HydrophobicContact CG2-CD1 4.22Å; V568-L614 HydrophobicContact CG2-CD2 4.37Å; V568-L614 HydrophobicContact CG2-CG 3.91Å
569	R	98.8	Very high	97.8	Very high	80 Å²	80	45.2 Å²	45.2	30%	0.302	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.3	172	179.3	167.4	41.2	64	-4.1	111	D549 H555 Y557 T571	D549-R569 IonicContact OD1-CZ 3.7Å; D549-R569 VanDerWaalsContact OD1-CZ 3.22Å; D549-R569 IonicContact OD1-NE 2.83Å; D549-R569 PolarHBondContact OD1-NE 2.91Å; D549-R569 IonicContact OD1-NH2 3.76Å; D549-R569 PolarHBondContact OD1-NH2 2.98Å; D549-R569 WeakPolarHBondContact OD2-CD 3.27Å; D549-R569 IonicContact OD2-CZ 3.58Å; D549-R569 IonicContact OD2-NE 3.92Å; D549-R569 PolarHBondContact OD2-NE 3.31Å; H555-R569 HydrophobicContact CB-CG 4.12Å; Y557-R569 HydrophobicContact CD1-CB 3.67Å; Y557-R569 HydrophobicContact CD1-CG 4.15Å; Y557-R569 HydrophobicContact CE1-CB 3.8Å; Y557-R569 HydrophobicContact CE1-CG 4.02Å; R569-T571 WeakPolarHBondContact CD-O 3.42Å; R569-T571 WeakPolarHBondContact CG-O 3.32Å; R569-T571 PolarHBondContact NH1-O 3.37Å
570	L	98.7	Very high	97.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	28%	0.281	C	S	.	.			trans	-107	2.6	-176.5	-59.4	176.8	0	0	0	113.9	Y543 L556 V558 V568 F588 L606 P618	Y543-L570 HydrophobicContact CD1-CD1 3.66Å; Y543-L570 HydrophobicContact CE1-CD1 3.65Å; L556-L570 HydrophobicContact CD2-CB 4.16Å; L556-L570 HydrophobicContact CD2-CD1 4.15Å; L556-L570 HydrophobicContact CG-CB 4.32Å; L556-L570 HydrophobicContact CG-CD1 4.31Å; L556-L570 PolarHBondContact O-N 2.9Å; V558-L570 HydrophobicContact CB-CD1 4.09Å; V558-L570 HydrophobicContact CG1-CD1 3.92Å; V558-L570 HydrophobicContact CG1-CD2 4.13Å; V558-L570 HydrophobicContact CG1-CG 4.12Å; V568-L570 HydrophobicContact CG1-CD2 4.28Å; L570-F588 HydrophobicContact CB-CE1 4.46Å; L570-F588 HydrophobicContact CB-CZ 4.41Å; L570-F588 WeakPolarHBondContact O-CZ 3.4Å; L570-L606 HydrophobicContact CD1-CD2 4.36Å; L570-L606 HydrophobicContact CD2-CD2 4.31Å; L570-P618 WeakPolarHBondContact O-CG 3.27Å
571	T	98.8	Very high	97.6	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-125.4	155.5	-177.8	36.1	0	0	0	0	111.5	H555 L556 R569 H577 F588	H555-T571 WeakPolarHBondContact CA-OG1 3.29Å; H555-T571 VanDerWaalsContact CB-OG1 3.29Å; H555-T571 WeakPolarHBondContact CB-OG1 3.18Å; H555-T571 PolarHBondContact ND1-OG1 3.38Å; L556-T571 HydrophobicContact CB-CG2 3.98Å; L556-T571 PolarHBondContact N-OG1 3.01Å; L556-T571 PolarHBondContact O-OG1 3.14Å; R569-T571 WeakPolarHBondContact CD-O 3.42Å; R569-T571 WeakPolarHBondContact CG-O 3.32Å; R569-T571 PolarHBondContact NH1-O 3.37Å; T571-H577 HydrophobicContact CG2-CB 4.28Å; T571-F588 HydrophobicContact CG2-CE2 4.22Å
572	T	98.3	Very high	97.6	Very high	82 Å²	82	45 Å²	45	50%	0.503	27%	0.273	S	S	.	.			trans	-87.2	130.5	-172.3	-50.6	0	0	0	0	110.7	H577	T572-H577 PolarHBondContact O-NE2 2.97Å
573	P	98.5	Very high	97.4	Very high	69 Å²	69	44.2 Å²	44.2	45%	0.448	27%	0.27	S	S	.	.	S	Bend	trans	-68.9	161.2	178.6	31.9	-36	0	0	0	112
574	G	98.2	Very high	97.3	Very high	36 Å²	36	43.1 Å²	43.1	37%	0.371	26%	0.257	S	S	.	.	S	Bend	trans	94.2	4.3	-172.9	0	0	0	0	0	113.9	E553 S594 N683	E553-G574 VanDerWaalsContact OE1-C 3.29Å; E553-G574 WeakPolarHBondContact OE1-CA 3.33Å; E553-G574 PolarHBondContact OE1-N 3Å; E553-G574 PolarHBondContact OE2-N 3.04Å; G574-S594 WeakPolarHBondContact O-CB 3.4Å; G574-N683 PolarHBondContact O-ND2 3.21Å
575	F	98.6	Very high	97.4	Very high	53 Å²	53	42.8 Å²	42.8	23%	0.232	25%	0.25	C	S	.	.	S	Bend	trans	-145.5	146.5	179.5	-59.2	-87.4	0	0	0	110.1	E553 H555 H577 Y592 S593 T597	E553-F575 PolarHBondContact OE1-N 2.97Å; E553-F575 PolarHBondContact OE2-N 3.26Å; H555-F575 PolarHBondContact CE1-O 3.22Å; H555-F575 VanDerWaalsContact CE1-O 3.28Å; F575-H577 PolarHBondContact O-CD2 3.31Å; F575-H577 PolarHBondContact O-NE2 3Å; F575-Y592 HydrophobicContact CB-CD2 3.85Å; F575-Y592 AromaticContact CD1-CD2 3.62Å; F575-Y592 HydrophobicContact CD1-CD2 3.62Å; F575-Y592 AromaticContact CD1-CE2 3.77Å; F575-Y592 HydrophobicContact CD1-CE2 3.77Å; F575-Y592 HydrophobicContact CD2-CD2 4.42Å; F575-Y592 HydrophobicContact CD2-CE2 4.38Å; F575-Y592 HydrophobicContact CE1-CD2 4.27Å; F575-Y592 AromaticContact CE1-CE2 3.94Å; F575-Y592 HydrophobicContact CE1-CE2 3.94Å; F575-Y592 AromaticContact CG-CD2 3.71Å; F575-Y592 HydrophobicContact CG-CD2 3.71Å; F575-Y592 HydrophobicContact CG-CE2 4.01Å; F575-Y592 HydrophobicContact CZ-CE2 4.32Å; F575-S593 CarbonylContact C-O 3.6Å; F575-S593 WeakPolarHBondContact CA-O 3.35Å; F575-T597 HydrophobicContact CE1-CG2 4.23Å
576	S	98.6	Very high	97.5	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.3	167.6	-169	0	0	0	0	110.4	H554 Y592 S593 N683	H554-S576 WeakPolarHBondContact CB-OG 3.26Å; H554-S576 PolarHBondContact N-OG 2.87Å; S576-Y592 VanDerWaalsContact O-CA 3.31Å; S576-Y592 WeakPolarHBondContact O-CA 3.15Å; S576-S593 PolarHBondContact N-O 3.16Å; S576-S593 PolarHBondContact O-N 3.13Å; S576-S593 VanDerWaalsContact O-N 3.1Å; S576-N683 WeakPolarHBondContact CB-O 3.48Å; S576-N683 PolarHBondContact N-O 3.21Å
577	H	98.5	Very high	97.5	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.6	-169.7	-60	-102.7	0	0	0	112.9	Q545 H554 H555 T571 T572 F575 S590 Y592	Q545-H577 PolarHBondContact OE1-O 2.67Å; H554-H577 VanDerWaalsContact CB-O 3.29Å; H554-H577 WeakPolarHBondContact CB-O 3.28Å; H554-H577 WeakPolarHBondContact O-CA 3.33Å; H554-H577 VanDerWaalsContact O-CB 3.31Å; H554-H577 WeakPolarHBondContact O-CB 3.19Å; H554-H577 PolarHBondContact O-CD2 3.11Å; H554-H577 PolarHBondContact O-N 3.38Å; H555-H577 AromaticContact CE1-CD2 3.74Å; H555-H577 AromaticContact CE1-NE2 3.94Å; H555-H577 AromaticContact ND1-CD2 3.3Å; H555-H577 PolarHBondContact ND1-CD2 3.37Å; H555-H577 VanDerWaalsContact ND1-CD2 3.3Å; H555-H577 AromaticContact ND1-NE2 3.75Å; T571-H577 HydrophobicContact CG2-CB 4.28Å; T572-H577 PolarHBondContact O-NE2 2.97Å; F575-H577 PolarHBondContact O-CD2 3.31Å; F575-H577 PolarHBondContact O-NE2 3Å; H577-S590 PolarHBondContact ND1-OG 3.29Å; H577-Y592 AromaticContact CE1-CG 3.86Å; H577-Y592 VanDerWaalsContact ND1-CB 3.26Å; H577-Y592 WeakPolarHBondContact ND1-CB 3.13Å; H577-Y592 AromaticContact ND1-CG 3.78Å
578	S	97.8	Very high	97.5	Very high	71 Å²	71	34.5 Å²	34.5	50%	0.497	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.4	163.6	-179.4	0	0	0	0	108.2	H591	S578-H591 PolarHBondContact N-O 3.22Å; S578-H591 PolarHBondContact O-N 3.14Å
579	C	97.4	Very high	97.4	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155	-169	-67.7	0	0	0	0	114.4	W534 L556 I589 S590	W534-C579 VanDerWaalsContact CH2-O 3.28Å; W534-C579 WeakPolarHBondContact CH2-O 3.48Å; L556-C579 HydrophobicContact CB-CB 4.18Å; L556-C579 HydrophobicContact CD1-CB 4.13Å; L556-C579 HydrophobicContact CD2-CB 4.2Å; L556-C579 HydrophobicContact CG-CB 4.41Å; C579-I589 CarbonylContact C-O 3.52Å; C579-I589 WeakPolarHBondContact CA-O 3.49Å; C579-S590 PolarHBondContact SG-OG 3.06Å
580	S	96.9	Very high	97.4	Very high	22 Å²	22	30 Å²	30	15%	0.154	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.7	169.4	-169.7	0	0	0	0	111.6	F588 I589	S580-F588 CarbonylContact O-C 3.48Å; S580-F588 VanDerWaalsContact O-CA 3.3Å; S580-F588 WeakPolarHBondContact O-CA 3.42Å; S580-F588 WeakPolarHBondContact O-CB 3.15Å; S580-I589 PolarHBondContact N-O 3.17Å; S580-I589 PolarHBondContact O-N 2.88Å
581	M	97.1	Very high	97.4	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	146.9	179.2	-63.2	-71.8	-63.6	0	0	112.6	W534 Y543 L556 F585 F588 L606	W534-M581 HydrophobicContact CB-CB 4.14Å; W534-M581 HydrophobicContact CB-CG 4.06Å; W534-M581 HydrophobicContact CD2-CB 3.77Å; W534-M581 HydrophobicContact CD2-CG 3.44Å; W534-M581 VanDerWaalsContact CD2-CG 3.44Å; W534-M581 HydrophobicContact CE3-CB 4.4Å; W534-M581 HydrophobicContact CE3-CG 3.57Å; W534-M581 HydrophobicContact CG-CB 3.63Å; W534-M581 HydrophobicContact CG-CG 3.68Å; W534-M581 HydrophobicContact CZ3-CG 4.19Å; Y543-M581 HydrophobicContact CD1-CE 3.38Å; Y543-M581 HydrophobicContact CD1-SD 3.77Å; Y543-M581 HydrophobicContact CD2-CE 4.01Å; Y543-M581 HydrophobicContact CE1-CE 3.47Å; Y543-M581 VanDerWaalsContact CE1-CE 3.47Å; Y543-M581 HydrophobicContact CE1-SD 4.34Å; Y543-M581 HydrophobicContact CE2-CE 4.12Å; Y543-M581 HydrophobicContact CG-CE 3.67Å; Y543-M581 HydrophobicContact CG-CG 4.49Å; Y543-M581 HydrophobicContact CG-SD 4.13Å; L556-M581 HydrophobicContact CD1-SD 4.5Å; L556-M581 HydrophobicContact CD2-SD 3.94Å; M581-F585 HydrophobicContact CE-CD1 4.04Å; M581-F588 HydrophobicContact SD-CB 3.59Å; M581-F588 VanDerWaalsContact SD-CB 3.59Å; M581-F588 HydrophobicContact SD-CG 4.29Å; M581-L606 HydrophobicContact CE-CD1 4Å
582	S	96.4	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.			trans	-60	136.7	160.3	172.3	0	0	0	0	110	N584 F585 D586 M587	S582-N584 PolarHBondContact O-N 3.4Å; S582-N584 VanDerWaalsContact O-N 3.1Å; S582-N584 PolarHBondContact OG-N 2.99Å; S582-N584 VanDerWaalsContact OG-N 3.14Å; S582-F585 PolarHBondContact O-N 2.66Å; S582-D586 WeakPolarHBondContact CB-OD1 3.42Å; S582-D586 PolarHBondContact OG-OD1 3.42Å; S582-M587 WeakPolarHBondContact CB-O 3.33Å; S582-M587 PolarHBondContact N-O 3.01Å
583	Q	92.4	Very high	97.3	Very high	96 Å²	96	30.5 Å²	30.5	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.8	170.8	47.7	-178.6	-20	0	0	113.4	F86	F86-Q583 PolarHBondContact O-NE2 2.93Å
584	N	94	Very high	97.2	Very high	70 Å²	70	27.4 Å²	27.4	37%	0.374	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1	170.3	-52	-80.8	0	0	0	113.6	S582 D586	S582-N584 PolarHBondContact O-N 3.4Å; S582-N584 VanDerWaalsContact O-N 3.1Å; S582-N584 PolarHBondContact OG-N 2.99Å; S582-N584 VanDerWaalsContact OG-N 3.14Å; N584-D586 PolarHBondContact O-N 2.82Å; N584-D586 VanDerWaalsContact O-N 3.12Å
585	F	96.9	Very high	97.1	Very high	40 Å²	40	26.7 Å²	26.7	18%	0.175	14%	0.142	C	C	.	.	S	Bend	trans	55.4	24.7	-179.3	-58.2	-89.1	0	0	0	115.6	W534 V535 N536 Y543 M581 S582	W534-F585 HydrophobicContact CB-CE1 3.65Å; W534-F585 HydrophobicContact CB-CZ 4.22Å; V535-F585 WeakPolarHBondContact O-CZ 3.45Å; N536-F585 HydrophobicContact CB-CB 4.44Å; N536-F585 HydrophobicContact CB-CD1 3.75Å; N536-F585 HydrophobicContact CB-CD2 3.87Å; N536-F585 HydrophobicContact CB-CE1 3.87Å; N536-F585 HydrophobicContact CB-CE2 4.02Å; N536-F585 HydrophobicContact CB-CG 3.75Å; N536-F585 HydrophobicContact CB-CZ 4.02Å; N536-F585 VanDerWaalsContact ND2-CB 3.33Å; N536-F585 WeakPolarHBondContact ND2-CB 3.33Å; N536-F585 WeakPolarHBondContact ND2-CG 3.3Å; Y543-F585 AromaticContact CD2-CD1 3.81Å; Y543-F585 HydrophobicContact CD2-CD1 3.81Å; Y543-F585 HydrophobicContact CD2-CE1 4.04Å; Y543-F585 AromaticContact CE2-CD1 3.67Å; Y543-F585 HydrophobicContact CE2-CD1 3.67Å; Y543-F585 HydrophobicContact CE2-CE1 4.3Å; M581-F585 HydrophobicContact CE-CD1 4.04Å; S582-F585 PolarHBondContact O-N 2.66Å
586	D	95.8	Very high	96.8	Very high	39 Å²	39	27.1 Å²	27.1	21%	0.209	15%	0.152	C	C	.	.	S	Bend	trans	-104.9	-20.1	-177.8	74.9	-47.8	0	0	0	113.6	H98 S582 N584 K605 L606	H98-D586 IonicContact CE1-OD2 2.71Å; H98-D586 PolarHBondContact CE1-OD2 3.2Å; H98-D586 IonicContact NE2-OD2 3.39Å; S582-D586 WeakPolarHBondContact CB-OD1 3.42Å; S582-D586 PolarHBondContact OG-OD1 3.42Å; N584-D586 PolarHBondContact O-N 2.82Å; N584-D586 VanDerWaalsContact O-N 3.12Å; D586-K605 WeakPolarHBondContact O-CG 3.47Å; D586-L606 PolarHBondContact O-N 3.03Å
587	M	97.8	Very high	96.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159	179.9	-64.8	-174.3	-173.9	0	0	110.8	F86 I119 S582 Y604 K605	F86-M587 HydrophobicContact CE1-CB 3.82Å; F86-M587 HydrophobicContact CE1-SD 4.05Å; F86-M587 HydrophobicContact CZ-CB 4Å; I119-M587 HydrophobicContact CG2-CE 3.92Å; I119-M587 HydrophobicContact CG2-SD 3.82Å; S582-M587 WeakPolarHBondContact CB-O 3.33Å; S582-M587 PolarHBondContact N-O 3.01Å; M587-Y604 CarbonylContact C-O 3.53Å; M587-Y604 WeakPolarHBondContact CA-O 3.32Å; M587-Y604 WeakPolarHBondContact CB-O 3.33Å; M587-K605 HydrophobicContact CE-CD 4.1Å; M587-K605 HydrophobicContact CE-CG 4.22Å; M587-K605 HydrophobicContact CG-CB 4.27Å; M587-K605 HydrophobicContact CG-CG 4.1Å
588	F	98.4	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	163.2	165.8	70.4	-89.8	0	0	0	110.7	L556 L570 T571 S580 M581 Y604 L606 P618	L556-F588 HydrophobicContact CD2-CB 4.38Å; L556-F588 HydrophobicContact CD2-CD1 4.17Å; L556-F588 HydrophobicContact CD2-CD2 3.67Å; L556-F588 HydrophobicContact CD2-CE1 4.35Å; L556-F588 HydrophobicContact CD2-CE2 3.89Å; L556-F588 HydrophobicContact CD2-CG 3.83Å; L556-F588 HydrophobicContact CD2-CZ 4.22Å; L570-F588 HydrophobicContact CB-CE1 4.46Å; L570-F588 HydrophobicContact CB-CZ 4.41Å; L570-F588 WeakPolarHBondContact O-CZ 3.4Å; T571-F588 HydrophobicContact CG2-CE2 4.22Å; S580-F588 CarbonylContact O-C 3.48Å; S580-F588 VanDerWaalsContact O-CA 3.3Å; S580-F588 WeakPolarHBondContact O-CA 3.42Å; S580-F588 WeakPolarHBondContact O-CB 3.15Å; M581-F588 HydrophobicContact SD-CB 3.59Å; M581-F588 VanDerWaalsContact SD-CB 3.59Å; M581-F588 HydrophobicContact SD-CG 4.29Å; F588-Y604 HydrophobicContact CD2-CD2 4.23Å; F588-Y604 HydrophobicContact CE1-CG 4.23Å; F588-Y604 AromaticContact CE2-CD2 3.62Å; F588-Y604 HydrophobicContact CE2-CD2 3.62Å; F588-Y604 HydrophobicContact CE2-CE2 4.39Å; F588-Y604 AromaticContact CE2-CG 3.89Å; F588-Y604 HydrophobicContact CE2-CG 3.89Å; F588-Y604 VanDerWaalsContact CZ-CB 3.48Å; F588-Y604 HydrophobicContact CZ-CD1 4.37Å; F588-Y604 AromaticContact CZ-CD2 3.91Å; F588-Y604 HydrophobicContact CZ-CD2 3.91Å; F588-Y604 AromaticContact CZ-CG 3.67Å; F588-Y604 HydrophobicContact CZ-CG 3.67Å; F588-Y604 PolarHBondContact N-O 3.14Å; F588-Y604 PolarHBondContact O-N 3.12Å; F588-L606 HydrophobicContact CD1-CD2 4.02Å; F588-L606 HydrophobicContact CD1-CG 4.2Å; F588-L606 HydrophobicContact CE1-CD2 3.79Å; F588-L606 HydrophobicContact CE1-CG 4.44Å; F588-P618 HydrophobicContact CE1-CB 3.85Å; F588-P618 HydrophobicContact CZ-CB 3.96Å
589	I	98.4	Very high	96.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.7	174.6	-62.8	166.1	0	0	0	107.6	F84 F86 L100 C579 S580 V601 H602 V603 M624	F84-I589 HydrophobicContact CB-CD1 3.83Å; F84-I589 HydrophobicContact CD1-CD1 3.36Å; F84-I589 HydrophobicContact CD2-CD1 4.1Å; F84-I589 HydrophobicContact CD2-CG2 4.31Å; F84-I589 HydrophobicContact CE1-CD1 3.85Å; F84-I589 HydrophobicContact CE1-CG2 4.14Å; F84-I589 HydrophobicContact CE2-CB 4.48Å; F84-I589 HydrophobicContact CE2-CG2 3.82Å; F84-I589 HydrophobicContact CG-CD1 3.5Å; F84-I589 HydrophobicContact CZ-CD1 4.38Å; F84-I589 HydrophobicContact CZ-CG2 3.71Å; F86-I589 HydrophobicContact CE2-CD1 3.61Å; F86-I589 HydrophobicContact CE2-CG1 3.89Å; F86-I589 HydrophobicContact CZ-CD1 3.74Å; F86-I589 HydrophobicContact CZ-CG1 3.75Å; L100-I589 HydrophobicContact CD1-CD1 3.66Å; L100-I589 HydrophobicContact CD2-CD1 3.53Å; L100-I589 HydrophobicContact CD2-CG1 4.47Å; L100-I589 HydrophobicContact CG-CD1 4.21Å; C579-I589 CarbonylContact C-O 3.52Å; C579-I589 WeakPolarHBondContact CA-O 3.49Å; S580-I589 PolarHBondContact N-O 3.17Å; S580-I589 PolarHBondContact O-N 2.88Å; I589-V601 HydrophobicContact CG2-CG1 3.7Å; I589-H602 WeakPolarHBondContact CA-O 3.41Å; I589-V603 HydrophobicContact CG1-CG2 4.34Å; I589-M624 HydrophobicContact CD1-SD 4.39Å
590	S	98.3	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.1	169.7	-162.2	0	0	0	0	109.6	H577 C579 V601 H602	H577-S590 PolarHBondContact ND1-OG 3.29Å; C579-S590 PolarHBondContact SG-OG 3.06Å; S590-V601 WeakPolarHBondContact O-CA 3.45Å; S590-H602 PolarHBondContact N-O 2.78Å; S590-H602 PolarHBondContact O-N 2.81Å
591	H	97.5	Very high	95.9	Very high	62 Å²	62	25.3 Å²	25.3	29%	0.287	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.4	160.4	171.2	-134.5	0	0	0	106.9	S578 P599 C600 V601	S578-H591 PolarHBondContact N-O 3.22Å; S578-H591 PolarHBondContact O-N 3.14Å; H591-P599 WeakPolarHBondContact NE2-CB 3.37Å; H591-C600 CarbonylContact C-O 3.59Å; H591-C600 WeakPolarHBondContact CA-O 3.39Å; H591-V601 HydrophobicContact CB-CG2 4.01Å
592	Y	97.6	Very high	96	Very high	29 Å²	29	25.6 Å²	25.6	11%	0.114	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.9	-169.6	73.8	-90.5	0	0	0	112.2	F575 S576 H577 P599 C600 H602	F575-Y592 HydrophobicContact CB-CD2 3.85Å; F575-Y592 AromaticContact CD1-CD2 3.62Å; F575-Y592 HydrophobicContact CD1-CD2 3.62Å; F575-Y592 AromaticContact CD1-CE2 3.77Å; F575-Y592 HydrophobicContact CD1-CE2 3.77Å; F575-Y592 HydrophobicContact CD2-CD2 4.42Å; F575-Y592 HydrophobicContact CD2-CE2 4.38Å; F575-Y592 HydrophobicContact CE1-CD2 4.27Å; F575-Y592 AromaticContact CE1-CE2 3.94Å; F575-Y592 HydrophobicContact CE1-CE2 3.94Å; F575-Y592 AromaticContact CG-CD2 3.71Å; F575-Y592 HydrophobicContact CG-CD2 3.71Å; F575-Y592 HydrophobicContact CG-CE2 4.01Å; F575-Y592 HydrophobicContact CZ-CE2 4.32Å; S576-Y592 VanDerWaalsContact O-CA 3.31Å; S576-Y592 WeakPolarHBondContact O-CA 3.15Å; H577-Y592 AromaticContact CE1-CG 3.86Å; H577-Y592 VanDerWaalsContact ND1-CB 3.26Å; H577-Y592 WeakPolarHBondContact ND1-CB 3.13Å; H577-Y592 AromaticContact ND1-CG 3.78Å; Y592-P599 CarbonylContact O-C 3.54Å; Y592-P599 VanDerWaalsContact O-CA 3.27Å; Y592-P599 WeakPolarHBondContact O-CA 3.38Å; Y592-C600 HydrophobicContact CD1-CB 4.18Å; Y592-C600 HydrophobicContact CE1-CB 3.61Å; Y592-C600 HydrophobicContact CE2-CB 4.16Å; Y592-C600 PolarHBondContact N-O 3.38Å; Y592-C600 PolarHBondContact O-N 3.05Å; Y592-H602 HydrophobicContact CE1-CB 4.14Å; Y592-H602 AromaticContact CE1-CG 3.88Å; Y592-H602 AromaticContact CE1-ND1 3.74Å; Y592-H602 AromaticContact CZ-ND1 3.98Å; Y592-H602 PolarHBondContact OH-CE1 3.27Å; Y592-H602 VanDerWaalsContact OH-CE1 3.25Å; Y592-H602 PolarHBondContact OH-ND1 3.34Å
593	S	97.4	Very high	96.1	Very high	15 Å²	15	25.6 Å²	25.6	11%	0.105	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	170.3	179.3	67	0	0	0	0	111.1	F575 S576 S684 F685	F575-S593 CarbonylContact C-O 3.6Å; F575-S593 WeakPolarHBondContact CA-O 3.35Å; S576-S593 PolarHBondContact N-O 3.16Å; S576-S593 PolarHBondContact O-N 3.13Å; S576-S593 VanDerWaalsContact O-N 3.1Å; S593-S684 WeakPolarHBondContact OG-CA 3.36Å; S593-F685 PolarHBondContact OG-N 3.03Å
594	S	97.4	Very high	96.4	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.035	12%	0.122	C	C	.	.			trans	-130.6	170.9	167.6	72.9	0	0	0	0	109.9	G574 S596 T597 N683 S684 F685	G574-S594 WeakPolarHBondContact O-CB 3.4Å; S594-S596 PolarHBondContact O-N 2.82Å; S594-S596 VanDerWaalsContact O-N 3.1Å; S594-S596 PolarHBondContact OG-OG 2.59Å; S594-T597 PolarHBondContact N-O 3.32Å; S594-T597 VanDerWaalsContact N-O 3.1Å; S594-T597 PolarHBondContact O-N 2.82Å; S594-T597 VanDerWaalsContact O-O 3.08Å; S594-T597 WeakPolarHBondContact OG-CB 3.4Å; S594-T597 PolarHBondContact OG-N 2.99Å; S594-T597 PolarHBondContact OG-OG1 2.99Å; S594-T597 VanDerWaalsContact OG-OG1 3.09Å; S594-N683 WeakPolarHBondContact CA-OD1 3.43Å; S594-N683 VanDerWaalsContact CB-OD1 3.3Å; S594-N683 WeakPolarHBondContact CB-OD1 3.38Å; S594-S684 CarbonylContact O-C 3.54Å; S594-F685 WeakPolarHBondContact O-CA 3.42Å; S594-F685 WeakPolarHBondContact O-CB 3.11Å; S594-F685 PolarHBondContact O-N 3.16Å; S594-F685 VanDerWaalsContact O-N 3.16Å
595	V	96.3	Very high	96.5	Very high	21 Å²	21	21.9 Å²	21.9	13%	0.127	12%	0.117	C	C	.	.	S	Bend	trans	-55	-30.3	178.5	69.1	0	0	0	0	112.4	P636 P637 I639 N683	V595-P636 VanDerWaalsContact O-CB 3.22Å; V595-P636 WeakPolarHBondContact O-CB 3.45Å; V595-P637 HydrophobicContact CG2-CG 3.64Å; V595-P637 WeakPolarHBondContact CG2-O 3.25Å; V595-I639 HydrophobicContact CB-CD1 4.24Å; V595-I639 HydrophobicContact CG1-CD1 4.38Å; V595-I639 HydrophobicContact CG2-CD1 4.4Å; V595-I639 HydrophobicContact CG2-CG1 4.46Å; V595-N683 PolarHBondContact N-OD1 3.26Å
596	S	92.1	Very high	96.6	Very high	62 Å²	62	20.5 Å²	20.5	43%	0.434	11%	0.111	S	C	.	.	S	Bend	trans	-102.2	-23.7	179.3	58.9	0	0	0	0	114.8	S594	S594-S596 PolarHBondContact O-N 2.82Å; S594-S596 VanDerWaalsContact O-N 3.1Å; S594-S596 PolarHBondContact OG-OG 2.59Å
597	T	92.8	Very high	96.5	Very high	48 Å²	48	20.2 Å²	20.2	29%	0.294	11%	0.112	S	C	.	.	S	Bend	trans	-110.5	119.8	-172.5	-51.8	0	0	0	0	111.2	F575 S594 A627	F575-T597 HydrophobicContact CE1-CG2 4.23Å; S594-T597 PolarHBondContact N-O 3.32Å; S594-T597 VanDerWaalsContact N-O 3.1Å; S594-T597 PolarHBondContact O-N 2.82Å; S594-T597 VanDerWaalsContact O-O 3.08Å; S594-T597 WeakPolarHBondContact OG-CB 3.4Å; S594-T597 PolarHBondContact OG-N 2.99Å; S594-T597 PolarHBondContact OG-OG1 2.99Å; S594-T597 VanDerWaalsContact OG-OG1 3.09Å; T597-A627 HydrophobicContact CG2-CB 4.29Å
598	P	92.7	Very high	96.2	Very high	8 Å²	8	22.4 Å²	22.4	5%	0.052	14%	0.135	C	C	.	.			trans	-55.8	159.4	175.8	-27.9	36.7	0	0	0	113.6	A627 A628 C630 F685	P598-A627 HydrophobicContact CB-CB 4.14Å; P598-A627 WeakPolarHBondContact O-CB 3.47Å; P598-A628 WeakPolarHBondContact CG-O 3.12Å; P598-C630 WeakPolarHBondContact CG-SG 3.3Å; P598-F685 HydrophobicContact CB-CD1 4.49Å; P598-F685 HydrophobicContact CB-CD2 4.45Å; P598-F685 HydrophobicContact CB-CE1 4.45Å; P598-F685 HydrophobicContact CB-CE2 4.4Å; P598-F685 HydrophobicContact CB-CG 4.49Å; P598-F685 HydrophobicContact CB-CZ 4.41Å; P598-F685 HydrophobicContact CG-CD2 4.14Å; P598-F685 HydrophobicContact CG-CE1 4.32Å; P598-F685 HydrophobicContact CG-CE2 3.7Å; P598-F685 HydrophobicContact CG-CZ 3.81Å
599	P	93.4	Very high	95.9	Very high	19 Å²	19	25.3 Å²	25.3	12%	0.123	16%	0.155	C	C	.	.			trans	-64.6	137.7	-172.1	-21.1	32.8	0	0	0	114.4	H591 Y592 M625 F685 I688	H591-P599 WeakPolarHBondContact NE2-CB 3.37Å; Y592-P599 CarbonylContact O-C 3.54Å; Y592-P599 VanDerWaalsContact O-CA 3.27Å; Y592-P599 WeakPolarHBondContact O-CA 3.38Å; P599-M625 HydrophobicContact CB-CE 4Å; P599-M625 WeakPolarHBondContact O-CE 3.23Å; P599-F685 HydrophobicContact CG-CB 4.4Å; P599-I688 HydrophobicContact CG-CD1 4.31Å
600	C	95	Very high	95.7	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	156.7	166.9	-69.7	0	0	0	0	110.1	H591 Y592 M625 A627	H591-C600 CarbonylContact C-O 3.59Å; H591-C600 WeakPolarHBondContact CA-O 3.39Å; Y592-C600 HydrophobicContact CD1-CB 4.18Å; Y592-C600 HydrophobicContact CE1-CB 3.61Å; Y592-C600 HydrophobicContact CE2-CB 4.16Å; Y592-C600 PolarHBondContact N-O 3.38Å; Y592-C600 PolarHBondContact O-N 3.05Å; C600-M625 CarbonylContact C-O 3.58Å; C600-M625 VanDerWaalsContact CA-O 3.31Å; C600-M625 WeakPolarHBondContact CA-O 3.36Å; C600-A627 PolarHBondContact SG-N 3.48Å
601	V	97.1	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.3	167.2	-178.4	0	0	0	0	108.5	A80 P81 F84 I589 S590 H591 M624 M625	A80-V601 HydrophobicContact CB-CG2 4.12Å; P81-V601 HydrophobicContact CB-CG1 4.49Å; F84-V601 HydrophobicContact CE1-CG1 4.47Å; F84-V601 HydrophobicContact CZ-CG1 3.94Å; I589-V601 HydrophobicContact CG2-CG1 3.7Å; S590-V601 WeakPolarHBondContact O-CA 3.45Å; H591-V601 HydrophobicContact CB-CG2 4.01Å; V601-M624 HydrophobicContact CB-CB 4.2Å; V601-M624 HydrophobicContact CG1-CB 4.01Å; V601-M624 HydrophobicContact CG1-CG 4.46Å; V601-M624 HydrophobicContact CG1-SD 4.04Å; V601-M624 WeakPolarHBondContact O-CA 3.28Å; V601-M624 WeakPolarHBondContact O-CB 2.8Å; V601-M624 PolarHBondContact O-N 3.36Å; V601-M625 HydrophobicContact CB-CB 3.82Å; V601-M625 HydrophobicContact CG2-CB 4Å; V601-M625 HydrophobicContact CG2-CE 3.99Å; V601-M625 HydrophobicContact CG2-SD 4.36Å; V601-M625 PolarHBondContact N-O 2.73Å; V601-M625 PolarHBondContact O-N 2.8Å; V601-M625 VanDerWaalsContact O-N 3.07Å
602	H	98	Very high	95.4	Very high	14 Å²	14	39 Å²	39	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.9	-176.2	-73.4	-176	0	0	0	112	I589 S590 Y592 Y604 F620 S623 E626	I589-H602 WeakPolarHBondContact CA-O 3.41Å; S590-H602 PolarHBondContact N-O 2.78Å; S590-H602 PolarHBondContact O-N 2.81Å; Y592-H602 HydrophobicContact CE1-CB 4.14Å; Y592-H602 AromaticContact CE1-CG 3.88Å; Y592-H602 AromaticContact CE1-ND1 3.74Å; Y592-H602 AromaticContact CZ-ND1 3.98Å; Y592-H602 PolarHBondContact OH-CE1 3.27Å; Y592-H602 VanDerWaalsContact OH-CE1 3.25Å; Y592-H602 PolarHBondContact OH-ND1 3.34Å; H602-Y604 HydrophobicContact CB-CD2 4.39Å; H602-Y604 HydrophobicContact CB-CE2 3.63Å; H602-F620 HydrophobicContact CB-CD2 4.23Å; H602-F620 HydrophobicContact CB-CE2 4.06Å; H602-F620 AromaticContact CE1-CE2 3.78Å; H602-F620 AromaticContact CG-CE2 3.63Å; H602-F620 AromaticContact ND1-CD2 3.66Å; H602-F620 AromaticContact ND1-CE2 3.45Å; H602-F620 WeakPolarHBondContact ND1-CE2 3.33Å; H602-S623 PolarHBondContact CD2-OG 3.04Å; H602-E626 IonicContact CD2-OE1 2.61Å; H602-E626 IonicContact CE1-OE1 2.76Å; H602-E626 IonicContact NE2-OE1 3.75Å; H602-E626 PolarHBondContact NE2-OE1 2.98Å; H602-E626 IonicContact NE2-OE2 3.1Å
603	V	98.3	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.8	175.2	-168.5	0	0	0	0	109.1	F86 L100 L131 I589 W621 A622 M624	F86-V603 HydrophobicContact CZ-CG1 4.45Å; L100-V603 HydrophobicContact CD2-CG2 4.49Å; L131-V603 HydrophobicContact CD1-CG2 3.91Å; I589-V603 HydrophobicContact CG1-CG2 4.34Å; V603-W621 WeakPolarHBondContact O-CB 3.4Å; V603-W621 PolarHBondContact O-N 2.99Å; V603-A622 PolarHBondContact N-O 2.83Å; V603-A622 PolarHBondContact O-N 2.83Å; V603-M624 HydrophobicContact CG2-CG 3.9Å; V603-M624 HydrophobicContact CG2-SD 3.94Å
604	Y	98.3	Very high	95.3	Very high	27 Å²	27	39.7 Å²	39.7	11%	0.106	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.7	177.2	-64.3	-94.8	0	0	0	110.1	M587 F588 H602 K619 F620	M587-Y604 CarbonylContact C-O 3.53Å; M587-Y604 WeakPolarHBondContact CA-O 3.32Å; M587-Y604 WeakPolarHBondContact CB-O 3.33Å; F588-Y604 HydrophobicContact CD2-CD2 4.23Å; F588-Y604 HydrophobicContact CE1-CG 4.23Å; F588-Y604 AromaticContact CE2-CD2 3.62Å; F588-Y604 HydrophobicContact CE2-CD2 3.62Å; F588-Y604 HydrophobicContact CE2-CE2 4.39Å; F588-Y604 AromaticContact CE2-CG 3.89Å; F588-Y604 HydrophobicContact CE2-CG 3.89Å; F588-Y604 VanDerWaalsContact CZ-CB 3.48Å; F588-Y604 HydrophobicContact CZ-CD1 4.37Å; F588-Y604 AromaticContact CZ-CD2 3.91Å; F588-Y604 HydrophobicContact CZ-CD2 3.91Å; F588-Y604 AromaticContact CZ-CG 3.67Å; F588-Y604 HydrophobicContact CZ-CG 3.67Å; F588-Y604 PolarHBondContact N-O 3.14Å; F588-Y604 PolarHBondContact O-N 3.12Å; H602-Y604 HydrophobicContact CB-CD2 4.39Å; H602-Y604 HydrophobicContact CB-CE2 3.63Å; Y604-K619 CarbonylContact C-O 3.55Å; Y604-K619 WeakPolarHBondContact CA-O 3.19Å; Y604-F620 HydrophobicContact CD1-CB 4.35Å; Y604-F620 HydrophobicContact CE1-CB 4.15Å
605	K	97.7	Very high	95.3	Very high	62 Å²	62	42.5 Å²	42.5	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129	171.9	-171.2	-179.1	-177.4	178.1	0	109.9	D586 M587 K619 W621	D586-K605 WeakPolarHBondContact O-CG 3.47Å; M587-K605 HydrophobicContact CE-CD 4.1Å; M587-K605 HydrophobicContact CE-CG 4.22Å; M587-K605 HydrophobicContact CG-CB 4.27Å; M587-K605 HydrophobicContact CG-CG 4.1Å; K605-K619 PolarHBondContact N-O 3.33Å; K605-K619 PolarHBondContact O-N 2.89Å; K605-W621 HydrophobicContact CB-CB 4.33Å; K605-W621 HydrophobicContact CB-CD2 4.17Å; K605-W621 HydrophobicContact CB-CE3 3.91Å; K605-W621 HydrophobicContact CB-CG 4.38Å; K605-W621 HydrophobicContact CD-CD2 4.34Å; K605-W621 HydrophobicContact CD-CE3 3.96Å; K605-W621 HydrophobicContact CD-CH2 4.13Å; K605-W621 HydrophobicContact CD-CZ2 4.47Å; K605-W621 HydrophobicContact CD-CZ3 3.85Å
606	L	97.4	Very high	95.3	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.2	173	-64.2	176.7	0	0	0	109.6	Y543 L570 M581 D586 F588 K616 P618	Y543-L606 HydrophobicContact CE1-CD1 3.88Å; L570-L606 HydrophobicContact CD1-CD2 4.36Å; L570-L606 HydrophobicContact CD2-CD2 4.31Å; M581-L606 HydrophobicContact CE-CD1 4Å; D586-L606 PolarHBondContact O-N 3.03Å; F588-L606 HydrophobicContact CD1-CD2 4.02Å; F588-L606 HydrophobicContact CD1-CG 4.2Å; F588-L606 HydrophobicContact CE1-CD2 3.79Å; F588-L606 HydrophobicContact CE1-CG 4.44Å; L606-K616 HydrophobicContact CB-CB 4.28Å; L606-P618 HydrophobicContact CD2-CB 4.38Å
607	S	94.4	Very high	95.6	Very high	33 Å²	33	45.3 Å²	45.3	23%	0.231	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	99.5	-172.7	-70.9	0	0	0	0	113.3	Q617 K619	S607-Q617 PolarHBondContact N-O 2.84Å; S607-Q617 PolarHBondContact O-N 2.86Å; S607-K619 VanDerWaalsContact CB-NZ 3.34Å; S607-K619 PolarHBondContact O-NZ 2.55Å
608	G	92.8	Very high	95.8	Very high	47 Å²	47	45 Å²	45	49%	0.485	25%	0.252	S	S	.	.	S	Bend	trans	-134.7	-150.5	170.2	0	0	0	0	0	110.3
609	S	92.1	Very high	96	Very high	61 Å²	61	49.7 Å²	49.7	43%	0.427	27%	0.272	S	S	.	.			trans	-74.9	167.2	161	-150.9	0	0	0	0	110.4	D611 K616	S609-D611 PolarHBondContact OG-OD2 3.03Å; S609-K616 WeakPolarHBondContact O-CE 3.49Å
610	D	92.4	Very high	96.2	Very high	130 Å²	130	52.6 Å²	52.6	70%	0.695	28%	0.282	S	S	*	.	S	Bend	trans	-88.3	-20.9	166.4	-70.5	-50.5	0	0	0	111.9	D612 K616	D610-D612 PolarHBondContact O-N 3.07Å; D610-K616 WeakPolarHBondContact OD1-CE 3.39Å; D610-K616 IonicContact OD1-NZ 3.8Å; D610-K616 PolarHBondContact OD1-NZ 2.67Å
611	D	94.2	Very high	96.2	Very high	152 Å²	152	54 Å²	54	81%	0.813	29%	0.287	S	S	*	.	S	Bend	trans	-69.3	-22.1	172.8	-34.9	-77.8	0	0	0	113.1	S609	S609-D611 PolarHBondContact OG-OD2 3.03Å
612	D	95.8	Very high	96.2	Very high	68 Å²	68	54 Å²	54	36%	0.364	29%	0.287	S	S	.	.			trans	-128.6	81.9	176.9	-178.9	-1.4	0	0	0	108.9	D610 L614 H615	D610-D612 PolarHBondContact O-N 3.07Å; D612-L614 VanDerWaalsContact C-N 3.3Å; D612-L614 PolarHBondContact O-N 3.13Å; D612-L614 PolarHBondContact OD1-N 3.38Å; D612-H615 IonicContact OD1-CE1 2.87Å; D612-H615 IonicContact OD1-CG 3.89Å; D612-H615 PolarHBondContact OD1-N 3.15Å; D612-H615 IonicContact OD1-ND1 2.66Å; D612-H615 PolarHBondContact OD1-ND1 2.77Å; D612-H615 IonicContact OD2-CE1 2.74Å; D612-H615 IonicContact OD2-CG 3.87Å; D612-H615 IonicContact OD2-ND1 2.63Å; D612-H615 PolarHBondContact OD2-ND1 2.93Å
613	P	95.8	Very high	96.1	Very high	28 Å²	28	53.3 Å²	53.3	18%	0.182	28%	0.284	C	S	.	.			trans	-74.8	-19.5	-176.5	30.5	-35.3	0	0	0	113.1	T539 L541 K616	T539-P613 HydrophobicContact CG2-CB 3.75Å; T539-P613 HydrophobicContact CG2-CG 4.26Å; L541-P613 HydrophobicContact CD1-CB 4.04Å; L541-P613 HydrophobicContact CD1-CG 4.43Å; L541-P613 WeakPolarHBondContact CD1-O 3.46Å; P613-K616 WeakPolarHBondContact O-CG 3.29Å
614	L	97.3	Very high	96	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.157	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-44.8	-177.1	-177.3	65.5	0	0	0	111	L541 V558 V568 D612 K616	L541-L614 HydrophobicContact CD2-CB 4.33Å; L541-L614 HydrophobicContact CD2-CD1 3.79Å; V558-L614 HydrophobicContact CG1-CD1 4.05Å; V558-L614 HydrophobicContact CG2-CD1 4.32Å; V568-L614 HydrophobicContact CG2-CD1 4.22Å; V568-L614 HydrophobicContact CG2-CD2 4.37Å; V568-L614 HydrophobicContact CG2-CG 3.91Å; D612-L614 VanDerWaalsContact C-N 3.3Å; D612-L614 PolarHBondContact O-N 3.13Å; D612-L614 PolarHBondContact OD1-N 3.38Å; L614-K616 VanDerWaalsContact C-N 3.26Å; L614-K616 PolarHBondContact O-N 2.68Å
615	H	97.7	Very high	95.7	Very high	65 Å²	65	53.5 Å²	53.5	30%	0.301	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	22	-176.5	-52.2	103.7	0	0	0	114	E566 D612 Q617	E566-H615 IonicContact OE1-NE2 3.65Å; E566-H615 IonicContact OE2-NE2 3.76Å; D612-H615 IonicContact OD1-CE1 2.87Å; D612-H615 IonicContact OD1-CG 3.89Å; D612-H615 PolarHBondContact OD1-N 3.15Å; D612-H615 IonicContact OD1-ND1 2.66Å; D612-H615 PolarHBondContact OD1-ND1 2.77Å; D612-H615 IonicContact OD2-CE1 2.74Å; D612-H615 IonicContact OD2-CG 3.87Å; D612-H615 IonicContact OD2-ND1 2.63Å; D612-H615 PolarHBondContact OD2-ND1 2.93Å; H615-Q617 PolarHBondContact O-N 2.97Å; H615-Q617 PolarHBondContact O-NE2 2.73Å
616	K	96.9	Very high	95.4	Very high	37 Å²	37	54.1 Å²	54.1	16%	0.161	29%	0.29	C	S	.	.			trans	-63.6	105.1	177.7	-78.1	-176.7	170.2	177.9	0	111.5	L606 S609 D610 P613 L614	L606-K616 HydrophobicContact CB-CB 4.28Å; S609-K616 WeakPolarHBondContact O-CE 3.49Å; D610-K616 WeakPolarHBondContact OD1-CE 3.39Å; D610-K616 IonicContact OD1-NZ 3.8Å; D610-K616 PolarHBondContact OD1-NZ 2.67Å; P613-K616 WeakPolarHBondContact O-CG 3.29Å; L614-K616 VanDerWaalsContact C-N 3.26Å; L614-K616 PolarHBondContact O-N 2.68Å
617	Q	97.1	Very high	94.8	Very high	105 Å²	105	55.5 Å²	55.5	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.8	-170.9	-63.3	-60.7	-60.4	0	0	113.1	S607 H615 K619	S607-Q617 PolarHBondContact N-O 2.84Å; S607-Q617 PolarHBondContact O-N 2.86Å; H615-Q617 PolarHBondContact O-N 2.97Å; H615-Q617 PolarHBondContact O-NE2 2.73Å; Q617-K619 PolarHBondContact O-N 3.46Å
618	P	97.6	Very high	94.2	Very high	42 Å²	42	55.8 Å²	55.8	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.1	174.6	31.1	-35.1	0	0	0	110.3	L570 F588 L606	L570-P618 WeakPolarHBondContact O-CG 3.27Å; F588-P618 HydrophobicContact CE1-CB 3.85Å; F588-P618 HydrophobicContact CZ-CB 3.96Å; L606-P618 HydrophobicContact CD2-CB 4.38Å
619	K	96.7	Very high	93.3	Very high	105 Å²	105	59 Å²	59	46%	0.457	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.8	178.2	-66.5	175.4	-175.1	148.5	0	109.2	Y604 K605 S607 Q617 W621	Y604-K619 CarbonylContact C-O 3.55Å; Y604-K619 WeakPolarHBondContact CA-O 3.19Å; K605-K619 PolarHBondContact N-O 3.33Å; K605-K619 PolarHBondContact O-N 2.89Å; S607-K619 VanDerWaalsContact CB-NZ 3.34Å; S607-K619 PolarHBondContact O-NZ 2.55Å; Q617-K619 PolarHBondContact O-N 3.46Å; K619-W621 PolarHBondContact O-N 2.88Å
620	F	96.8	Very high	92.1	Very high	80 Å²	80	58.2 Å²	58.2	35%	0.351	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	128.6	171	172.8	-90.8	0	0	0	109.4	L128 H602 Y604	L128-F620 HydrophobicContact CD1-CE1 3.92Å; L128-F620 HydrophobicContact CD1-CE2 4.45Å; L128-F620 HydrophobicContact CD1-CZ 3.5Å; L128-F620 VanDerWaalsContact CD1-CZ 3.5Å; H602-F620 HydrophobicContact CB-CD2 4.23Å; H602-F620 HydrophobicContact CB-CE2 4.06Å; H602-F620 AromaticContact CE1-CE2 3.78Å; H602-F620 AromaticContact CG-CE2 3.63Å; H602-F620 AromaticContact ND1-CD2 3.66Å; H602-F620 AromaticContact ND1-CE2 3.45Å; H602-F620 WeakPolarHBondContact ND1-CE2 3.33Å; Y604-F620 HydrophobicContact CD1-CB 4.35Å; Y604-F620 HydrophobicContact CE1-CB 4.15Å
621	W	96.6	Very high	91	Very high	37 Å²	37	53.2 Å²	53.2	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-47.9	-176	-163.2	-105.1	0	0	0	111.6	P120 V123 V603 K605 K619	P120-W621 WeakPolarHBondContact O-CZ2 3.45Å; P120-W621 PolarHBondContact O-NE1 3.09Å; P120-W621 VanDerWaalsContact O-NE1 3.12Å; V123-W621 HydrophobicContact CG1-CD2 4.34Å; V123-W621 HydrophobicContact CG1-CZ2 4.4Å; V123-W621 HydrophobicContact CG2-CD2 4.01Å; V123-W621 HydrophobicContact CG2-CE3 3.86Å; V123-W621 HydrophobicContact CG2-CH2 4.23Å; V123-W621 HydrophobicContact CG2-CZ2 4.37Å; V123-W621 HydrophobicContact CG2-CZ3 3.97Å; V603-W621 WeakPolarHBondContact O-CB 3.4Å; V603-W621 PolarHBondContact O-N 2.99Å; K605-W621 HydrophobicContact CB-CB 4.33Å; K605-W621 HydrophobicContact CB-CD2 4.17Å; K605-W621 HydrophobicContact CB-CE3 3.91Å; K605-W621 HydrophobicContact CB-CG 4.38Å; K605-W621 HydrophobicContact CD-CD2 4.34Å; K605-W621 HydrophobicContact CD-CE3 3.96Å; K605-W621 HydrophobicContact CD-CH2 4.13Å; K605-W621 HydrophobicContact CD-CZ2 4.47Å; K605-W621 HydrophobicContact CD-CZ3 3.85Å; K619-W621 PolarHBondContact O-N 2.88Å
622	A	97	Very high	89.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	159.4	176.8	0	0	0	0	0	111.4	L129 L131 V603	L129-A622 HydrophobicContact CB-CB 4.24Å; L129-A622 HydrophobicContact CD2-CB 3.95Å; L129-A622 HydrophobicContact CG-CB 4.02Å; L129-A622 CarbonylContact O-C 3.51Å; L129-A622 WeakPolarHBondContact O-CA 3.29Å; L131-A622 HydrophobicContact CD1-CB 3.88Å; L131-A622 HydrophobicContact CD2-CB 3.81Å; L131-A622 HydrophobicContact CG-CB 3.66Å; V603-A622 PolarHBondContact N-O 2.83Å; V603-A622 PolarHBondContact O-N 2.83Å
623	S	96.2	Very high	88.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.2	169.5	-179.2	0	0	0	0	110.9	L129 L131 H602 M625 E626	L129-S623 PolarHBondContact O-N 3.01Å; L131-S623 WeakPolarHBondContact CB-O 3.26Å; L131-S623 WeakPolarHBondContact CG-O 3.28Å; L131-S623 PolarHBondContact N-O 2.86Å; H602-S623 PolarHBondContact CD2-OG 3.04Å; S623-M625 PolarHBondContact OG-N 2.74Å; S623-M625 PolarHBondContact OG-O 2.71Å; S623-E626 WeakPolarHBondContact CB-OE1 3.33Å; S623-E626 PolarHBondContact OG-OE1 3.44Å
624	M	94.4	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-35	163.6	-61.7	177.3	70.4	0	0	111	P81 F84 L100 Y102 L131 W133 I589 V601 V603	P81-M624 HydrophobicContact CB-CE 4.02Å; P81-M624 HydrophobicContact CG-CE 4.35Å; F84-M624 HydrophobicContact CD1-CE 4.48Å; F84-M624 HydrophobicContact CE1-CE 3.86Å; F84-M624 HydrophobicContact CE1-SD 3.99Å; L100-M624 HydrophobicContact CD2-CE 3.8Å; L100-M624 HydrophobicContact CD2-SD 3.53Å; L100-M624 VanDerWaalsContact CD2-SD 3.53Å; Y102-M624 HydrophobicContact CD1-CE 3.53Å; Y102-M624 HydrophobicContact CD2-CE 4.15Å; Y102-M624 HydrophobicContact CE1-CE 3.28Å; Y102-M624 HydrophobicContact CE2-CE 3.92Å; Y102-M624 HydrophobicContact CG-CE 3.97Å; Y102-M624 VanDerWaalsContact CZ-CE 3.49Å; L131-M624 HydrophobicContact CD1-CG 3.87Å; W133-M624 PolarHBondContact NE1-O 3.23Å; I589-M624 HydrophobicContact CD1-SD 4.39Å; V601-M624 HydrophobicContact CB-CB 4.2Å; V601-M624 HydrophobicContact CG1-CB 4.01Å; V601-M624 HydrophobicContact CG1-CG 4.46Å; V601-M624 HydrophobicContact CG1-SD 4.04Å; V601-M624 WeakPolarHBondContact O-CA 3.28Å; V601-M624 WeakPolarHBondContact O-CB 2.8Å; V601-M624 PolarHBondContact O-N 3.36Å; V603-M624 HydrophobicContact CG2-CG 3.9Å; V603-M624 HydrophobicContact CG2-SD 3.94Å
625	M	92.6	Very high	88.3	Confident	30 Å²	30	55.1 Å²	55.1	15%	0.148	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.4	-179.1	-162.8	177.3	84.5	0	0	108.6	A80 W133 P599 C600 V601 S623	A80-M625 HydrophobicContact CB-CE 3.8Å; A80-M625 HydrophobicContact CB-SD 3.89Å; W133-M625 HydrophobicContact CZ2-CB 4.25Å; W133-M625 HydrophobicContact CZ2-CG 4.32Å; P599-M625 HydrophobicContact CB-CE 4Å; P599-M625 WeakPolarHBondContact O-CE 3.23Å; C600-M625 CarbonylContact C-O 3.58Å; C600-M625 VanDerWaalsContact CA-O 3.31Å; C600-M625 WeakPolarHBondContact CA-O 3.36Å; V601-M625 HydrophobicContact CB-CB 3.82Å; V601-M625 HydrophobicContact CG2-CB 4Å; V601-M625 HydrophobicContact CG2-CE 3.99Å; V601-M625 HydrophobicContact CG2-SD 4.36Å; V601-M625 PolarHBondContact N-O 2.73Å; V601-M625 PolarHBondContact O-N 2.8Å; V601-M625 VanDerWaalsContact O-N 3.07Å; S623-M625 PolarHBondContact OG-N 2.74Å; S623-M625 PolarHBondContact OG-O 2.71Å
626	E	91.6	Very high	88.2	Confident	76 Å²	76	54.2 Å²	54.2	36%	0.355	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-91.4	156.7	168.8	-70.7	-55.7	127.7	0	0	110.5	L128 H602 S623 A628	L128-E626 HydrophobicContact CD2-CG 4.24Å; H602-E626 IonicContact CD2-OE1 2.61Å; H602-E626 IonicContact CE1-OE1 2.76Å; H602-E626 IonicContact NE2-OE1 3.75Å; H602-E626 PolarHBondContact NE2-OE1 2.98Å; H602-E626 IonicContact NE2-OE2 3.1Å; S623-E626 WeakPolarHBondContact CB-OE1 3.33Å; S623-E626 PolarHBondContact OG-OE1 3.44Å; E626-A628 PolarHBondContact O-N 3.15Å
627	A	85.8	Confident	88.2	Confident	39 Å²	39	52.8 Å²	52.8	32%	0.322	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-56	124.1	173.6	0	0	0	0	0	110.4	T597 P598 C600	T597-A627 HydrophobicContact CG2-CB 4.29Å; P598-A627 HydrophobicContact CB-CB 4.14Å; P598-A627 WeakPolarHBondContact O-CB 3.47Å; C600-A627 PolarHBondContact SG-N 3.48Å
628	A	81.4	Confident	88.2	Confident	39 Å²	39	51.2 Å²	51.2	32%	0.322	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-62.3	148	170.6	0	0	0	0	0	110.3	I76 P598 E626 C630	I76-A628 HydrophobicContact CG1-CB 4.15Å; P598-A628 WeakPolarHBondContact CG-O 3.12Å; E626-A628 PolarHBondContact O-N 3.15Å; A628-C630 PolarHBondContact O-N 3.42Å; A628-C630 VanDerWaalsContact O-N 3.16Å
629	S	73.3	Confident	88.3	Confident	114 Å²	114	51.3 Å²	51.3	80%	0.797	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-59.4	120.1	170.1	-56.3	0	0	0	0	109.9
630	C	67.8	Low	88.4	Confident	45 Å²	45	46.5 Å²	46.5	30%	0.304	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-54.8	144.9	167.5	-72.6	0	0	0	0	110	P598 A628	P598-C630 WeakPolarHBondContact CG-SG 3.3Å; A628-C630 PolarHBondContact O-N 3.42Å; A628-C630 VanDerWaalsContact O-N 3.16Å
631	P	69.3	Low	88.5	Confident	25 Å²	25	47.5 Å²	47.5	16%	0.162	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-56.6	142.2	161.7	-16.9	30.8	0	0	0	108.6	I76 D633 Y634	I76-P631 HydrophobicContact CD1-CG 4.26Å; P631-D633 PolarHBondContact O-N 3.48Å; P631-Y634 PolarHBondContact O-N 2.9Å
632	P	68.3	Low	88.5	Confident	123 Å²	123	46.2 Å²	46.2	80%	0.799	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30	178	-27.3	35.9	0	0	0	113.5	Y634	P632-Y634 VanDerWaalsContact C-N 3.35Å
633	D	76.8	Confident	88.6	Confident	104 Å²	104	53.4 Å²	53.4	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.7	-176.9	-37.4	-47.5	0	0	0	113.1	P631 I635 H658 N694	P631-D633 PolarHBondContact O-N 3.48Å; D633-I635 PolarHBondContact O-N 2.9Å; D633-H658 PolarHBondContact O-CE1 3.45Å; D633-N694 PolarHBondContact O-ND2 3.1Å
634	Y	87.5	Confident	88.5	Confident	16 Å²	16	53.8 Å²	53.8	6%	0.063	30%	0.298	C	S	.	.			trans	-80.5	89.4	176.9	-177.1	-100.6	0	0	0	111.6	P631 P632 P636 F685 G687 L691 N694	P631-Y634 PolarHBondContact O-N 2.9Å; P632-Y634 VanDerWaalsContact C-N 3.35Å; Y634-P636 HydrophobicContact CE1-CB 3.91Å; Y634-F685 AromaticContact CD1-CE2 3.93Å; Y634-F685 HydrophobicContact CD1-CE2 3.93Å; Y634-F685 AromaticContact CD1-CZ 3.86Å; Y634-F685 HydrophobicContact CD1-CZ 3.86Å; Y634-F685 HydrophobicContact CE1-CD2 4.33Å; Y634-F685 AromaticContact CE1-CE2 3.35Å; Y634-F685 HydrophobicContact CE1-CE2 3.35Å; Y634-F685 AromaticContact CE1-CZ 3.55Å; Y634-F685 HydrophobicContact CE1-CZ 3.55Å; Y634-G687 PolarHBondContact OH-N 2.6Å; Y634-L691 HydrophobicContact CD2-CD1 4.13Å; Y634-N694 HydrophobicContact CD2-CB 3.92Å; Y634-N694 HydrophobicContact CE2-CB 3.9Å
635	I	92.9	Very high	88.4	Confident	76 Å²	76	62.4 Å²	62.4	39%	0.39	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-81	119.4	163.5	-51.7	-172.8	0	0	0	109.2	D633 H658 N694	D633-I635 PolarHBondContact O-N 2.9Å; I635-H658 HydrophobicContact CD1-CB 4.04Å; I635-N694 PolarHBondContact N-ND2 3.26Å; I635-N694 PolarHBondContact O-ND2 2.91Å
636	P	94.7	Very high	88.2	Confident	46 Å²	46	64 Å²	64	30%	0.299	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-73.3	158.5	176.3	31.4	-35.8	0	0	0	112	V595 Y634	V595-P636 VanDerWaalsContact O-CB 3.22Å; V595-P636 WeakPolarHBondContact O-CB 3.45Å; Y634-P636 HydrophobicContact CE1-CB 3.91Å
637	P	97.6	Very high	88.3	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.039	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-73.5	154.1	175.3	31	-33.2	0	0	0	112.1	V595 M653 V654 Y655 K686	V595-P637 HydrophobicContact CG2-CG 3.64Å; V595-P637 WeakPolarHBondContact CG2-O 3.25Å; P637-M653 HydrophobicContact CB-CB 4.05Å; P637-M653 HydrophobicContact CB-CG 4.46Å; P637-M653 HydrophobicContact CG-CB 4.44Å; P637-M653 HydrophobicContact CG-CG 4.4Å; P637-M653 HydrophobicContact CG-SD 3.89Å; P637-V654 WeakPolarHBondContact CA-O 3.46Å; P637-Y655 HydrophobicContact CB-CD1 3.95Å; P637-Y655 HydrophobicContact CB-CD2 3.86Å; P637-Y655 HydrophobicContact CB-CE1 3.93Å; P637-Y655 HydrophobicContact CB-CE2 3.81Å; P637-Y655 HydrophobicContact CB-CG 3.92Å; P637-Y655 HydrophobicContact CG-CD1 4.36Å; P637-Y655 HydrophobicContact CG-CE1 3.83Å; P637-Y655 HydrophobicContact CG-CE2 4.03Å; P637-K686 HydrophobicContact CG-CG 4.32Å
638	E	98.3	Very high	88.8	Confident	72 Å²	72	65.5 Å²	65.5	34%	0.336	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.6	166.8	-173.9	-178.1	124.3	0	0	109.4	M653 V654 K656 Y745	E638-M653 CarbonylContact O-C 3.59Å; E638-M653 WeakPolarHBondContact O-CA 3.38Å; E638-V654 HydrophobicContact CB-CG1 4.06Å; E638-V654 PolarHBondContact N-O 2.96Å; E638-V654 PolarHBondContact O-N 3.41Å; E638-K656 WeakPolarHBondContact OE2-CE 3.28Å; E638-K656 IonicContact OE2-NZ 2.73Å; E638-K656 PolarHBondContact OE2-NZ 3.09Å; E638-Y745 VanDerWaalsContact OE1-CE1 3.27Å; E638-Y745 WeakPolarHBondContact OE1-CE1 3.11Å; E638-Y745 VanDerWaalsContact OE1-CZ 3.31Å; E638-Y745 PolarHBondContact OE1-OH 2.99Å
639	I	98.7	Very high	89.6	Confident	44 Å²	44	66.4 Å²	66.4	23%	0.226	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.5	170.3	-64	168.8	0	0	0	108.8	L552 V595 G652 M653 V681 N683	L552-I639 HydrophobicContact CD1-CG2 3.97Å; V595-I639 HydrophobicContact CB-CD1 4.24Å; V595-I639 HydrophobicContact CG1-CD1 4.38Å; V595-I639 HydrophobicContact CG2-CD1 4.4Å; V595-I639 HydrophobicContact CG2-CG1 4.46Å; I639-G652 CarbonylContact C-O 3.57Å; I639-G652 WeakPolarHBondContact CA-O 3.44Å; I639-M653 HydrophobicContact CG1-CG 3.97Å; I639-V681 HydrophobicContact CG2-CG1 4.12Å; I639-N683 HydrophobicContact CD1-CB 4.29Å
640	F	98.6	Very high	90.8	Very high	4 Å²	4	61 Å²	61	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	166	172.5	66.9	-92.4	0	0	0	111	F642 G652 V654 V704 I706 Y740 V741	F640-F642 HydrophobicContact CD2-CD1 4.27Å; F640-F642 AromaticContact CE2-CD1 3.88Å; F640-F642 HydrophobicContact CE2-CD1 3.88Å; F640-F642 HydrophobicContact CE2-CE1 4.23Å; F640-G652 VanDerWaalsContact CE1-C 3.48Å; F640-G652 PolarHBondContact N-O 2.64Å; F640-G652 PolarHBondContact O-N 3.13Å; F640-V654 HydrophobicContact CD1-CB 4.38Å; F640-V654 HydrophobicContact CD1-CG1 4.21Å; F640-V654 HydrophobicContact CE1-CB 4.17Å; F640-V654 HydrophobicContact CE1-CG1 4.49Å; F640-V704 HydrophobicContact CZ-CG1 4.42Å; F640-I706 HydrophobicContact CZ-CG1 4.2Å; F640-Y740 HydrophobicContact CB-CE1 4.33Å; F640-Y740 AromaticContact CD2-CD1 3.82Å; F640-Y740 HydrophobicContact CD2-CD1 3.82Å; F640-Y740 AromaticContact CD2-CE1 3.5Å; F640-Y740 HydrophobicContact CD2-CE1 3.5Å; F640-Y740 AromaticContact CE2-CD1 3.93Å; F640-Y740 HydrophobicContact CE2-CD1 3.93Å; F640-Y740 HydrophobicContact CE2-CE1 4.1Å; F640-Y740 HydrophobicContact CG-CE1 4.15Å; F640-V741 HydrophobicContact CD1-CG2 4.34Å; F640-V741 HydrophobicContact CD2-CG2 4.46Å; F640-V741 HydrophobicContact CE1-CG2 3.55Å; F640-V741 HydrophobicContact CE2-CG2 3.7Å; F640-V741 HydrophobicContact CZ-CG2 3.17Å
641	H	98.4	Very high	92.3	Very high	102 Å²	102	60.3 Å²	60.3	47%	0.472	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.3	167.3	59.3	-102.1	0	0	0	109.6	E649 L650 Y651 Y740	H641-E649 HydrophobicContact CB-CG 4.38Å; H641-L650 CarbonylContact C-O 3.57Å; H641-L650 WeakPolarHBondContact CA-O 3.18Å; H641-Y651 HydrophobicContact CB-CD1 3.96Å; H641-Y651 HydrophobicContact CB-CE1 3.91Å; H641-Y651 HydrophobicContact CB-CG 4.43Å; H641-Y740 VanDerWaalsContact O-CZ 3.26Å; H641-Y740 PolarHBondContact O-OH 3.18Å
642	F	98.3	Very high	93.7	Very high	10 Å²	10	59.1 Å²	59.1	4%	0.044	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.3	172	68.5	-77.2	0	0	0	109.6	F640 T644 E649 L650 I706 E736 Y740	F640-F642 HydrophobicContact CD2-CD1 4.27Å; F640-F642 AromaticContact CE2-CD1 3.88Å; F640-F642 HydrophobicContact CE2-CD1 3.88Å; F640-F642 HydrophobicContact CE2-CE1 4.23Å; F642-T644 HydrophobicContact CE2-CG2 4.2Å; F642-E649 WeakPolarHBondContact O-CA 3.45Å; F642-L650 HydrophobicContact CD1-CB 4.17Å; F642-L650 HydrophobicContact CE1-CB 3.61Å; F642-L650 HydrophobicContact CE1-CD1 4.39Å; F642-L650 HydrophobicContact CE2-CB 4.3Å; F642-L650 HydrophobicContact CE2-CD1 4.06Å; F642-L650 HydrophobicContact CZ-CB 3.68Å; F642-L650 HydrophobicContact CZ-CD1 3.63Å; F642-L650 HydrophobicContact CZ-CG 4.22Å; F642-L650 PolarHBondContact N-O 2.87Å; F642-L650 PolarHBondContact O-N 3.4Å; F642-I706 HydrophobicContact CE1-CG2 4.1Å; F642-I706 HydrophobicContact CZ-CG2 4.3Å; F642-E736 HydrophobicContact CE2-CB 4.02Å; F642-Y740 HydrophobicContact CB-CD1 3.92Å; F642-Y740 HydrophobicContact CB-CD2 3.56Å; F642-Y740 HydrophobicContact CB-CE1 4.12Å; F642-Y740 HydrophobicContact CB-CE2 3.74Å; F642-Y740 HydrophobicContact CB-CG 3.65Å; F642-Y740 HydrophobicContact CD1-CD1 4.48Å; F642-Y740 HydrophobicContact CG-CD1 4.37Å; F642-Y740 HydrophobicContact CG-CD2 4.48Å; F642-Y740 HydrophobicContact CG-CG 4.16Å
643	R	97.6	Very high	95.1	Very high	150 Å²	150	53.5 Å²	53.5	57%	0.566	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.5	169.1	-73.4	179	170.2	-133.4	-3.3	109.3	D647 V648 E649	R643-D647 WeakPolarHBondContact CD-OD1 3.28Å; R643-D647 IonicContact CZ-OD1 3.23Å; R643-D647 IonicContact NE-OD1 3.55Å; R643-D647 IonicContact NH1-OD1 2.74Å; R643-D647 PolarHBondContact NH1-OD1 3.41Å; R643-D647 IonicContact NH1-OD2 3.38Å; R643-D647 PolarHBondContact NH1-OD2 3.29Å; R643-D647 VanDerWaalsContact NH1-OD2 3.07Å; R643-V648 WeakPolarHBondContact CA-O 3.42Å; R643-E649 HydrophobicContact CG-CB 4.46Å
644	T	95.2	Very high	96.2	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.049	24%	0.239	C	C	.	.			trans	-69.5	168.3	171.5	59.2	0	0	0	0	111.4	F642 S646 D647 V648 L650 E736	F642-T644 HydrophobicContact CE2-CG2 4.2Å; T644-S646 PolarHBondContact O-N 2.88Å; T644-S646 VanDerWaalsContact O-N 3.1Å; T644-S646 PolarHBondContact OG1-N 3.03Å; T644-S646 PolarHBondContact OG1-OG 3.27Å; T644-D647 PolarHBondContact O-N 3.48Å; T644-D647 PolarHBondContact OG1-N 2.96Å; T644-V648 HydrophobicContact CG2-CB 4.48Å; T644-V648 PolarHBondContact N-O 2.94Å; T644-V648 WeakPolarHBondContact OG1-CB 3.38Å; T644-V648 PolarHBondContact OG1-N 3.44Å; T644-V648 PolarHBondContact OG1-O 2.94Å; T644-L650 HydrophobicContact CG2-CD1 3.41Å; T644-L650 VanDerWaalsContact CG2-CD1 3.41Å; T644-L650 HydrophobicContact CG2-CG 3.91Å; T644-E736 VanDerWaalsContact CA-OE2 3.26Å; T644-E736 WeakPolarHBondContact CA-OE2 3.26Å
645	Q	91.6	Very high	96.7	Very high	182 Å²	182	47.9 Å²	47.9	85%	0.85	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.5	166.8	-67.3	174.7	50.1	0	0	113.4	E736	Q645-E736 PolarHBondContact N-OE2 3.04Å
646	S	89.1	Confident	96.9	Very high	64 Å²	64	48 Å²	48	45%	0.448	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12.7	174.8	48.5	0	0	0	0	114.4	T644 V648	T644-S646 PolarHBondContact O-N 2.88Å; T644-S646 VanDerWaalsContact O-N 3.1Å; T644-S646 PolarHBondContact OG1-N 3.03Å; T644-S646 PolarHBondContact OG1-OG 3.27Å; S646-V648 PolarHBondContact O-N 3.26Å
647	D	93.8	Very high	97	Very high	107 Å²	107	46 Å²	46	57%	0.572	22%	0.221	S	C	*	.	S	Bend	trans	58	27.2	-177.7	-155.4	41.6	0	0	0	115.1	R643 T644	R643-D647 WeakPolarHBondContact CD-OD1 3.28Å; R643-D647 IonicContact CZ-OD1 3.23Å; R643-D647 IonicContact NE-OD1 3.55Å; R643-D647 IonicContact NH1-OD1 2.74Å; R643-D647 PolarHBondContact NH1-OD1 3.41Å; R643-D647 IonicContact NH1-OD2 3.38Å; R643-D647 PolarHBondContact NH1-OD2 3.29Å; R643-D647 VanDerWaalsContact NH1-OD2 3.07Å; T644-D647 PolarHBondContact O-N 3.48Å; T644-D647 PolarHBondContact OG1-N 2.96Å
648	V	95.8	Very high	96.8	Very high	39 Å²	39	47.9 Å²	47.9	24%	0.236	23%	0.229	C	C	.	.			trans	-93.8	126.6	174.1	-177.7	0	0	0	0	109.4	R643 T644 S646 L650 R709 F718	R643-V648 WeakPolarHBondContact CA-O 3.42Å; T644-V648 HydrophobicContact CG2-CB 4.48Å; T644-V648 PolarHBondContact N-O 2.94Å; T644-V648 WeakPolarHBondContact OG1-CB 3.38Å; T644-V648 PolarHBondContact OG1-N 3.44Å; T644-V648 PolarHBondContact OG1-O 2.94Å; S646-V648 PolarHBondContact O-N 3.26Å; V648-L650 HydrophobicContact CG1-CD2 4.03Å; V648-R709 HydrophobicContact CG1-CG 4.21Å; V648-F718 HydrophobicContact CG1-CD2 4.16Å; V648-F718 HydrophobicContact CG1-CE2 3.77Å
649	E	98.1	Very high	96.3	Very high	57 Å²	57	51 Å²	51	27%	0.266	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.5	174	-172.9	176.8	-88.6	0	0	111.1	H641 F642 R643 Y651 R714	H641-E649 HydrophobicContact CB-CG 4.38Å; F642-E649 WeakPolarHBondContact O-CA 3.45Å; R643-E649 HydrophobicContact CG-CB 4.46Å; E649-Y651 HydrophobicContact CG-CE2 3.99Å; E649-Y651 WeakPolarHBondContact OE2-CE2 3.45Å; E649-Y651 VanDerWaalsContact OE2-CZ 3.27Å; E649-Y651 PolarHBondContact OE2-OH 2.69Å; E649-R714 VanDerWaalsContact O-CZ 3.3Å; E649-R714 PolarHBondContact O-NH1 3.19Å; E649-R714 PolarHBondContact O-NH2 3.45Å
650	L	98.7	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.2	178.5	-62.2	-176.4	0	0	0	110.9	H641 F642 T644 V648 R709 F718 D733	H641-L650 CarbonylContact C-O 3.57Å; H641-L650 WeakPolarHBondContact CA-O 3.18Å; F642-L650 HydrophobicContact CD1-CB 4.17Å; F642-L650 HydrophobicContact CE1-CB 3.61Å; F642-L650 HydrophobicContact CE1-CD1 4.39Å; F642-L650 HydrophobicContact CE2-CB 4.3Å; F642-L650 HydrophobicContact CE2-CD1 4.06Å; F642-L650 HydrophobicContact CZ-CB 3.68Å; F642-L650 HydrophobicContact CZ-CD1 3.63Å; F642-L650 HydrophobicContact CZ-CG 4.22Å; F642-L650 PolarHBondContact N-O 2.87Å; F642-L650 PolarHBondContact O-N 3.4Å; T644-L650 HydrophobicContact CG2-CD1 3.41Å; T644-L650 VanDerWaalsContact CG2-CD1 3.41Å; T644-L650 HydrophobicContact CG2-CG 3.91Å; V648-L650 HydrophobicContact CG1-CD2 4.03Å; L650-R709 HydrophobicContact CD2-CG 4.37Å; L650-F718 HydrophobicContact CD2-CE2 3.64Å; L650-F718 HydrophobicContact CD2-CZ 3.52Å; L650-D733 HydrophobicContact CD1-CB 3.66Å
651	Y	98.9	Very high	95.2	Very high	31 Å²	31	56.3 Å²	56.3	12%	0.122	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.7	-176.7	-73.4	-95.8	0	0	0	110.6	P551 L552 H641 E649 D707	P551-Y651 HydrophobicContact CG-CE2 4.22Å; L552-Y651 HydrophobicContact CD1-CD1 3.86Å; L552-Y651 HydrophobicContact CD1-CE1 3.76Å; L552-Y651 HydrophobicContact CD2-CD1 3.7Å; L552-Y651 HydrophobicContact CD2-CE1 4.21Å; L552-Y651 HydrophobicContact CD2-CG 4.14Å; L552-Y651 HydrophobicContact CG-CD1 4.04Å; L552-Y651 HydrophobicContact CG-CE1 4.04Å; H641-Y651 HydrophobicContact CB-CD1 3.96Å; H641-Y651 HydrophobicContact CB-CE1 3.91Å; H641-Y651 HydrophobicContact CB-CG 4.43Å; E649-Y651 HydrophobicContact CG-CE2 3.99Å; E649-Y651 WeakPolarHBondContact OE2-CE2 3.45Å; E649-Y651 VanDerWaalsContact OE2-CZ 3.27Å; E649-Y651 PolarHBondContact OE2-OH 2.69Å; Y651-D707 PolarHBondContact O-N 3.21Å
652	G	98.8	Very high	94.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.6	179.7	0	0	0	0	0	113.9	I639 F640 V705	I639-G652 CarbonylContact C-O 3.57Å; I639-G652 WeakPolarHBondContact CA-O 3.44Å; F640-G652 VanDerWaalsContact CE1-C 3.48Å; F640-G652 PolarHBondContact N-O 2.64Å; F640-G652 PolarHBondContact O-N 3.13Å; G652-V705 CarbonylContact C-O 3.59Å; G652-V705 WeakPolarHBondContact CA-O 3.28Å
653	M	98.8	Very high	94	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.5	168.8	-73	-177.6	-65.7	0	0	109.6	P637 E638 I639 L680 V681 K686 V704 V705	P637-M653 HydrophobicContact CB-CB 4.05Å; P637-M653 HydrophobicContact CB-CG 4.46Å; P637-M653 HydrophobicContact CG-CB 4.44Å; P637-M653 HydrophobicContact CG-CG 4.4Å; P637-M653 HydrophobicContact CG-SD 3.89Å; E638-M653 CarbonylContact O-C 3.59Å; E638-M653 WeakPolarHBondContact O-CA 3.38Å; I639-M653 HydrophobicContact CG1-CG 3.97Å; M653-L680 VanDerWaalsContact CE-O 3.26Å; M653-L680 WeakPolarHBondContact CE-O 3.5Å; M653-V681 HydrophobicContact CE-CG2 4.07Å; M653-V681 HydrophobicContact CG-CB 4.47Å; M653-V681 HydrophobicContact CG-CG1 4Å; M653-V681 HydrophobicContact CG-CG2 4.18Å; M653-K686 HydrophobicContact CE-CD 4.33Å; M653-K686 HydrophobicContact SD-CD 4.13Å; M653-K686 VanDerWaalsContact SD-CE 3.58Å; M653-K686 HydrophobicContact SD-CG 3.93Å; M653-V704 WeakPolarHBondContact O-CA 3.49Å; M653-V705 HydrophobicContact CB-CB 4.29Å; M653-V705 HydrophobicContact CE-CB 4.11Å; M653-V705 HydrophobicContact CE-CG1 4.12Å; M653-V705 HydrophobicContact CE-CG2 4.31Å; M653-V705 PolarHBondContact N-O 2.93Å; M653-V705 PolarHBondContact O-N 2.46Å
654	V	98.6	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.4	169.1	62.5	0	0	0	0	110.7	P637 E638 F640 V703 V704 V741 Y745 F747	P637-V654 WeakPolarHBondContact CA-O 3.46Å; E638-V654 HydrophobicContact CB-CG1 4.06Å; E638-V654 PolarHBondContact N-O 2.96Å; E638-V654 PolarHBondContact O-N 3.41Å; F640-V654 HydrophobicContact CD1-CB 4.38Å; F640-V654 HydrophobicContact CD1-CG1 4.21Å; F640-V654 HydrophobicContact CE1-CB 4.17Å; F640-V654 HydrophobicContact CE1-CG1 4.49Å; V654-V703 CarbonylContact C-O 3.56Å; V654-V703 WeakPolarHBondContact CA-O 3.35Å; V654-V704 HydrophobicContact CG2-CG2 4.48Å; V654-V741 HydrophobicContact CG2-CG1 4.16Å; V654-Y745 HydrophobicContact CG1-CD2 4.48Å; V654-Y745 HydrophobicContact CG1-CE1 4.23Å; V654-Y745 HydrophobicContact CG1-CE2 3.9Å; V654-F747 HydrophobicContact CG2-CE2 4.41Å; V654-F747 HydrophobicContact CG2-CZ 4.09Å
655	Y	98.4	Very high	93.9	Very high	3 Å²	3	59.5 Å²	59.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.4	160.8	-58.3	-104.3	0	0	0	107	P637 K686 L693 N694 V703	P637-Y655 HydrophobicContact CB-CD1 3.95Å; P637-Y655 HydrophobicContact CB-CD2 3.86Å; P637-Y655 HydrophobicContact CB-CE1 3.93Å; P637-Y655 HydrophobicContact CB-CE2 3.81Å; P637-Y655 HydrophobicContact CB-CG 3.92Å; P637-Y655 HydrophobicContact CG-CD1 4.36Å; P637-Y655 HydrophobicContact CG-CE1 3.83Å; P637-Y655 HydrophobicContact CG-CE2 4.03Å; Y655-K686 WeakPolarHBondContact OH-CB 3.31Å; Y655-L693 HydrophobicContact CD2-CB 4.1Å; Y655-L693 HydrophobicContact CE1-CB 4.23Å; Y655-L693 HydrophobicContact CE2-CB 3.72Å; Y655-L693 HydrophobicContact CE2-CD1 3.87Å; Y655-L693 HydrophobicContact CE2-CG 4.46Å; Y655-N694 HydrophobicContact CD1-CB 4.24Å; Y655-N694 HydrophobicContact CE1-CB 4.2Å; Y655-V703 HydrophobicContact CD2-CB 3.99Å; Y655-V703 HydrophobicContact CD2-CG1 4.26Å; Y655-V703 HydrophobicContact CG-CB 4.35Å; Y655-V703 PolarHBondContact N-O 3.33Å; Y655-V703 PolarHBondContact O-N 3.1Å; Y655-V703 VanDerWaalsContact O-N 3.09Å
656	K	97.3	Very high	94.1	Very high	78 Å²	78	50.9 Å²	50.9	34%	0.339	28%	0.284	S	S	.	.			trans	-74	141.6	174.4	-51.9	-176	-177.3	171.2	0	108.5	E638 H658 V660 F747	E638-K656 WeakPolarHBondContact OE2-CE 3.28Å; E638-K656 IonicContact OE2-NZ 2.73Å; E638-K656 PolarHBondContact OE2-NZ 3.09Å; K656-H658 PolarHBondContact O-N 3.34Å; K656-V660 HydrophobicContact CB-CG2 4.36Å; K656-F747 HydrophobicContact CB-CE1 4.26Å; K656-F747 HydrophobicContact CB-CZ 4.05Å; K656-F747 HydrophobicContact CD-CE1 4.22Å; K656-F747 HydrophobicContact CG-CE1 3.99Å; K656-F747 HydrophobicContact CG-CZ 3.81Å
657	P	96.4	Very high	94.6	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.019	26%	0.263	C	S	.	.			trans	-48.3	138.7	165.1	-23.5	31.7	0	0	0	109.9	D659 V660 H666 A697 A702 F747	P657-D659 PolarHBondContact O-N 3.04Å; P657-V660 HydrophobicContact CB-CG2 4.14Å; P657-V660 HydrophobicContact CG-CG2 4.37Å; P657-V660 WeakPolarHBondContact O-CG2 3.42Å; P657-H666 HydrophobicContact CG-CB 3.9Å; P657-A697 WeakPolarHBondContact CA-O 3.34Å; P657-A702 HydrophobicContact CG-CB 4.34Å; P657-F747 HydrophobicContact CG-CD2 4.32Å
658	H	94.1	Very high	94.8	Very high	47 Å²	47	42.8 Å²	42.8	22%	0.218	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-43.2	-171.9	-71	-166.8	0	0	0	112.1	D633 I635 K656 N694 A697 S698	D633-H658 PolarHBondContact O-CE1 3.45Å; I635-H658 HydrophobicContact CD1-CB 4.04Å; K656-H658 PolarHBondContact O-N 3.34Å; H658-N694 PolarHBondContact CE1-ND2 3.35Å; H658-N694 PolarHBondContact CE1-OD1 3.4Å; H658-N694 PolarHBondContact NE2-ND2 3.22Å; H658-N694 PolarHBondContact NE2-O 3.44Å; H658-A697 VanDerWaalsContact CD2-C 3.45Å; H658-A697 PolarHBondContact CD2-O 2.36Å; H658-A697 PolarHBondContact N-O 2.61Å; H658-A697 VanDerWaalsContact NE2-CB 3.25Å; H658-A697 WeakPolarHBondContact NE2-CB 3.4Å; H658-S698 WeakPolarHBondContact CE1-CB 3.34Å; H658-S698 WeakPolarHBondContact ND1-CB 3.46Å
659	D	87.5	Confident	95	Very high	137 Å²	137	41 Å²	41	73%	0.733	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	69.2	175.3	-69.3	-55.2	0	0	0	111.6	P657 Q661	P657-D659 PolarHBondContact O-N 3.04Å; D659-Q661 PolarHBondContact O-N 2.8Å; D659-Q661 VanDerWaalsContact O-N 3.12Å
660	V	86.4	Confident	95	Very high	57 Å²	57	38.2 Å²	38.2	35%	0.345	21%	0.212	S	C	.	.			trans	-63.6	113.3	174	-171.9	0	0	0	0	110.2	K656 P657 F747	K656-V660 HydrophobicContact CB-CG2 4.36Å; P657-V660 HydrophobicContact CB-CG2 4.14Å; P657-V660 HydrophobicContact CG-CG2 4.37Å; P657-V660 WeakPolarHBondContact O-CG2 3.42Å; V660-F747 HydrophobicContact CG1-CB 3.91Å; V660-F747 HydrophobicContact CG1-CD1 4.06Å; V660-F747 HydrophobicContact CG1-CG 4.24Å; V660-F747 HydrophobicContact CG2-CD1 4.34Å
661	Q	86.8	Confident	95	Very high	102 Å²	102	39 Å²	39	48%	0.477	22%	0.215	S	C	.	.			trans	-85.2	129.7	173.8	-67.8	-178	5.6	0	0	110.4	D659 G663 K664	D659-Q661 PolarHBondContact O-N 2.8Å; D659-Q661 VanDerWaalsContact O-N 3.12Å; Q661-G663 PolarHBondContact O-N 3.49Å; Q661-K664 HydrophobicContact CB-CB 3.95Å; Q661-K664 HydrophobicContact CB-CG 3.62Å; Q661-K664 WeakPolarHBondContact O-CB 3.42Å; Q661-K664 PolarHBondContact O-N 2.87Å
662	P	86.1	Confident	95	Very high	133 Å²	133	37.6 Å²	37.6	86%	0.864	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130.4	176.9	-27.5	35.8	0	0	0	112.3	K664	P662-K664 VanDerWaalsContact C-N 3.28Å; P662-K664 PolarHBondContact O-N 2.88Å
663	G	86.4	Confident	95	Very high	66 Å²	66	40 Å²	40	68%	0.68	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	4	-176	0	0	0	0	0	115.1	S50 Q661	S50-G663 WeakPolarHBondContact CB-O 3.39Å; Q661-G663 PolarHBondContact O-N 3.49Å
664	K	93.3	Very high	94.7	Very high	55 Å²	55	39.9 Å²	39.9	24%	0.239	22%	0.22	C	C	.	.			trans	-96	136.9	173	-70.7	-59.3	-161	171.3	0	113.2	P49 S50 Q51 F52 Q661 P662	P49-K664 PolarHBondContact O-NZ 2.77Å; S50-K664 CarbonylContact O-C 3.4Å; S50-K664 VanDerWaalsContact O-CA 3.23Å; S50-K664 WeakPolarHBondContact O-CA 3.45Å; S50-K664 VanDerWaalsContact O-CD 3.29Å; S50-K664 WeakPolarHBondContact O-CD 3.46Å; Q51-K664 PolarHBondContact O-NZ 3.03Å; F52-K664 HydrophobicContact CB-CB 4.33Å; Q661-K664 HydrophobicContact CB-CB 3.95Å; Q661-K664 HydrophobicContact CB-CG 3.62Å; Q661-K664 WeakPolarHBondContact O-CB 3.42Å; Q661-K664 PolarHBondContact O-N 2.87Å; P662-K664 VanDerWaalsContact C-N 3.28Å; P662-K664 PolarHBondContact O-N 2.88Å
665	K	96	Very high	94.5	Very high	84 Å²	84	39.9 Å²	39.9	37%	0.365	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-107.2	128	173.9	-62.6	177.1	-174.7	162.3	0	110.6	S50 F52 F747 D749 R752	S50-K665 PolarHBondContact O-N 3.08Å; F52-K665 WeakPolarHBondContact CB-O 3.25Å; F52-K665 PolarHBondContact N-O 2.9Å; K665-F747 CarbonylContact C-O 3.58Å; K665-F747 WeakPolarHBondContact CA-O 3.37Å; K665-D749 HydrophobicContact CB-CB 3.92Å; K665-R752 PolarHBondContact O-NH2 2.89Å
666	H	97.8	Very high	94.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142	-170.2	-70.9	-109.5	0	0	0	111.7	F52 P657 T668 G700 F747 D749	F52-H666 AromaticContact CD1-CE1 3.7Å; F52-H666 AromaticContact CD1-ND1 3.34Å; F52-H666 VanDerWaalsContact CD1-ND1 3.34Å; F52-H666 WeakPolarHBondContact CD1-ND1 3.43Å; F52-H666 AromaticContact CD2-CE1 3.39Å; F52-H666 WeakPolarHBondContact CD2-CE1 3.45Å; F52-H666 AromaticContact CD2-ND1 3.92Å; F52-H666 AromaticContact CD2-NE2 3.96Å; F52-H666 AromaticContact CE1-ND1 3.84Å; F52-H666 AromaticContact CE2-CE1 3.78Å; F52-H666 AromaticContact CG-CE1 3.34Å; F52-H666 WeakPolarHBondContact CG-CE1 3.31Å; F52-H666 AromaticContact CG-ND1 3.39Å; F52-H666 WeakPolarHBondContact CG-ND1 3.25Å; F52-H666 AromaticContact CG-NE2 3.94Å; P657-H666 HydrophobicContact CG-CB 3.9Å; H666-T668 PolarHBondContact O-OG1 3.39Å; H666-G700 PolarHBondContact ND1-O 3.22Å; H666-F747 PolarHBondContact N-O 3.07Å; H666-D749 WeakPolarHBondContact O-CB 3.39Å; H666-D749 PolarHBondContact O-N 3.43Å
667	P	98.2	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	141.2	172.3	27.9	-33.4	0	0	0	109.7	V54 Y701 A702 R752 L892	V54-P667 HydrophobicContact CG1-CG 3.89Å; P667-Y701 HydrophobicContact CB-CD1 4.06Å; P667-Y701 HydrophobicContact CB-CE1 4.28Å; P667-Y701 HydrophobicContact CG-CD1 3.76Å; P667-Y701 HydrophobicContact CG-CE1 3.98Å; P667-Y701 WeakPolarHBondContact O-CA 3.23Å; P667-A702 PolarHBondContact O-N 2.97Å; P667-R752 WeakPolarHBondContact CA-O 3.39Å; P667-R752 HydrophobicContact CB-CB 4.07Å; P667-L892 HydrophobicContact CB-CD2 3.95Å; P667-L892 HydrophobicContact CB-CG 3.99Å
668	T	98.7	Very high	94.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.9	-165.9	-58.7	0	0	0	0	111.5	H666 A702 V704 L738 I748 R752 V753 A754	H666-T668 PolarHBondContact O-OG1 3.39Å; T668-A702 CarbonylContact C-O 3.39Å; T668-A702 VanDerWaalsContact CA-O 3.31Å; T668-A702 WeakPolarHBondContact CA-O 3.32Å; T668-A702 HydrophobicContact CG2-CB 4.24Å; T668-V704 HydrophobicContact CG2-CG2 4.05Å; T668-L738 HydrophobicContact CG2-CD1 3.99Å; T668-I748 HydrophobicContact CG2-CD1 4.28Å; T668-R752 PolarHBondContact N-O 3.13Å; T668-V753 CarbonylContact O-C 3.58Å; T668-V753 WeakPolarHBondContact O-CA 3.45Å; T668-A754 PolarHBondContact O-N 2.76Å
669	V	98.9	Very high	94.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.5	173.9	-175.8	0	0	0	0	108.9	F671 L696 Y701 A702 V703 V704 A754 L888 L892	V669-F671 PolarHBondContact O-N 3.2Å; V669-L696 HydrophobicContact CB-CD1 4.44Å; V669-L696 HydrophobicContact CG1-CD1 4.25Å; V669-L696 HydrophobicContact CG2-CD1 4.43Å; V669-L696 HydrophobicContact CG2-CD2 4.5Å; V669-Y701 HydrophobicContact CG2-CD1 4.04Å; V669-Y701 HydrophobicContact CG2-CG 4.31Å; V669-A702 PolarHBondContact N-O 3.05Å; V669-V703 WeakPolarHBondContact O-CA 3.39Å; V669-V703 WeakPolarHBondContact O-CG1 3.33Å; V669-V704 PolarHBondContact O-N 3.44Å; V669-A754 HydrophobicContact CG2-CB 4.49Å; V669-L888 HydrophobicContact CG2-CD1 4.15Å; V669-L888 HydrophobicContact CG2-CD2 3.87Å; V669-L892 HydrophobicContact CG2-CD2 4.47Å
670	L	98.9	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.8	167.2	-177.3	70.6	0	0	0	108.5	V704 I706 Q734 A754 I755 H756 F776	L670-V704 HydrophobicContact CD1-CB 3.99Å; L670-V704 HydrophobicContact CD1-CG1 3.88Å; L670-I706 HydrophobicContact CD1-CD1 4.22Å; L670-Q734 HydrophobicContact CD2-CB 3.86Å; L670-Q734 HydrophobicContact CD2-CG 4.19Å; L670-A754 PolarHBondContact N-O 3.47Å; L670-I755 HydrophobicContact CD2-CD1 4.06Å; L670-I755 HydrophobicContact CD2-CG1 4.25Å; L670-H756 PolarHBondContact O-N 3.05Å; L670-F776 HydrophobicContact CB-CE1 4.47Å; L670-F776 HydrophobicContact CD2-CE1 3.67Å; L670-F776 HydrophobicContact CD2-CZ 3.88Å
671	F	98.9	Very high	95.8	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.075	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.2	172.4	177.6	-92.6	0	0	0	109.9	V669 L680 Y690 L693 V703 V704 V705 H756	V669-F671 PolarHBondContact O-N 3.2Å; F671-L680 HydrophobicContact CD1-CD1 4.46Å; F671-L680 HydrophobicContact CE1-CD1 4.21Å; F671-Y690 AromaticContact CE1-CD1 3.97Å; F671-Y690 HydrophobicContact CE1-CD1 3.97Å; F671-Y690 AromaticContact CE1-CE1 3.65Å; F671-Y690 HydrophobicContact CE1-CE1 3.65Å; F671-Y690 HydrophobicContact CZ-CD1 4.3Å; F671-Y690 AromaticContact CZ-CE1 3.98Å; F671-Y690 HydrophobicContact CZ-CE1 3.98Å; F671-L693 HydrophobicContact CB-CD1 4.17Å; F671-L693 HydrophobicContact CB-CD2 4.01Å; F671-L693 HydrophobicContact CD1-CD1 3.9Å; F671-L693 HydrophobicContact CD2-CD2 4.01Å; F671-L693 HydrophobicContact CG-CD1 3.99Å; F671-L693 HydrophobicContact CG-CD2 3.93Å; F671-V703 HydrophobicContact CB-CG1 4.4Å; F671-V704 PolarHBondContact N-O 2.86Å; F671-V705 HydrophobicContact CB-CG2 4.19Å; F671-V705 HydrophobicContact CD1-CG2 4.12Å; F671-H756 CarbonylContact C-O 3.53Å; F671-H756 VanDerWaalsContact CA-O 3.31Å; F671-H756 WeakPolarHBondContact CA-O 3.35Å; F671-H756 AromaticContact CD2-CD2 3.81Å
672	V	98.6	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.4	-169.6	70.9	0	0	0	0	112.5	Q734 I755 H756 G757 G761 L764	V672-Q734 HydrophobicContact CG2-CG 4.26Å; V672-I755 HydrophobicContact CG1-CD1 4.1Å; V672-I755 HydrophobicContact CG1-CG1 3.92Å; V672-H756 PolarHBondContact N-O 3.01Å; V672-G757 WeakPolarHBondContact O-CA 3.43Å; V672-G761 WeakPolarHBondContact CG1-O 3.15Å; V672-G761 WeakPolarHBondContact O-CA 3.16Å; V672-L764 HydrophobicContact CG1-CB 4.26Å; V672-L764 HydrophobicContact CG2-CB 4.4Å; V672-L764 HydrophobicContact CG2-CD1 3.93Å
673	Y	98.4	Very high	96.9	Very high	50 Å²	50	20.4 Å²	20.4	20%	0.196	12%	0.115	C	C	.	.			trans	-119	-63.7	154.8	-177.8	-97.3	0	0	0	109.5	G675 V678 Y760 G761 L764	Y673-G675 PolarHBondContact O-N 2.92Å; Y673-G675 VanDerWaalsContact O-N 3.13Å; Y673-V678 HydrophobicContact CD1-CB 3.56Å; Y673-V678 HydrophobicContact CD1-CG1 3.69Å; Y673-V678 HydrophobicContact CD1-CG2 3.91Å; Y673-V678 HydrophobicContact CE1-CB 3.53Å; Y673-V678 HydrophobicContact CE1-CG1 4.11Å; Y673-V678 HydrophobicContact CE1-CG2 3.42Å; Y673-V678 VanDerWaalsContact CE1-CG2 3.42Å; Y673-V678 HydrophobicContact CG-CG1 4.24Å; Y673-Y760 WeakPolarHBondContact O-CD1 3.43Å; Y673-G761 WeakPolarHBondContact O-CA 3.49Å; Y673-G761 PolarHBondContact O-N 2.98Å; Y673-L764 WeakPolarHBondContact O-CD1 3.39Å
674	G	92.6	Very high	97.4	Very high	4 Å²	4	18.7 Å²	18.7	4%	0.041	9%	0.092	C	C	.	.			trans	69.3	1.6	167.8	0	0	0	0	0	117.2
675	G	94.2	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.			trans	-91.5	171	174.1	0	0	0	0	0	113.9	Y673 Y760	Y673-G675 PolarHBondContact O-N 2.92Å; Y673-G675 VanDerWaalsContact O-N 3.13Å; G675-Y760 VanDerWaalsContact CA-CE1 3.5Å; G675-Y760 VanDerWaalsContact N-CD1 3.35Å
676	P	97.3	Very high	97.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	168.5	179.1	28.1	-36.2	0	0	0	113.5	V678 G710 E719 M726 Y795 Y799	P676-V678 PolarHBondContact O-N 3.22Å; P676-G710 VanDerWaalsContact CA-O 3.27Å; P676-G710 WeakPolarHBondContact CA-O 3.28Å; P676-E719 HydrophobicContact CB-CG 4.13Å; P676-M726 HydrophobicContact CG-CE 3.67Å; P676-Y795 WeakPolarHBondContact CD-OH 3.47Å; P676-Y795 WeakPolarHBondContact CG-OH 3.34Å; P676-Y799 HydrophobicContact CB-CD1 4.41Å; P676-Y799 HydrophobicContact CB-CE1 3.74Å; P676-Y799 HydrophobicContact CB-CE2 4.45Å; P676-Y799 HydrophobicContact CG-CD1 4.16Å; P676-Y799 HydrophobicContact CG-CD2 4.07Å; P676-Y799 HydrophobicContact CG-CE1 3.74Å; P676-Y799 HydrophobicContact CG-CE2 3.63Å; P676-Y799 HydrophobicContact CG-CG 4.31Å; P676-Y799 VanDerWaalsContact CG-CZ 3.44Å
677	Q	96.7	Very high	97.1	Very high	36 Å²	36	13.8 Å²	13.8	17%	0.168	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-7.3	-179.4	-40.9	-167.4	-8.6	0	0	116.4	R528 C712 E719 Y799	R528-Q677 VanDerWaalsContact NH2-CD 3.29Å; Q677-C712 PolarHBondContact O-SG 2.97Å; Q677-E719 PolarHBondContact N-OE1 3.2Å; Q677-Y799 VanDerWaalsContact CG-OH 3.29Å; Q677-Y799 WeakPolarHBondContact CG-OH 3.45Å; Q677-Y799 PolarHBondContact NE2-OH 2.7Å
678	V	97.8	Very high	96.5	Very high	45 Å²	45	17.2 Å²	17.2	27%	0.273	9%	0.091	S	C	.	.			trans	-118.5	143.5	-176	177.1	0	0	0	0	111.7	Y673 P676 L680 S711 C712	Y673-V678 HydrophobicContact CD1-CB 3.56Å; Y673-V678 HydrophobicContact CD1-CG1 3.69Å; Y673-V678 HydrophobicContact CD1-CG2 3.91Å; Y673-V678 HydrophobicContact CE1-CB 3.53Å; Y673-V678 HydrophobicContact CE1-CG1 4.11Å; Y673-V678 HydrophobicContact CE1-CG2 3.42Å; Y673-V678 VanDerWaalsContact CE1-CG2 3.42Å; Y673-V678 HydrophobicContact CG-CG1 4.24Å; P676-V678 PolarHBondContact O-N 3.22Å; V678-L680 HydrophobicContact CG1-CD2 4.01Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; V678-S711 WeakPolarHBondContact O-CA 3.46Å; V678-S711 VanDerWaalsContact O-CB 3.31Å; V678-S711 WeakPolarHBondContact O-CB 3.22Å; V678-C712 PolarHBondContact O-N 2.96Å; V678-C712 VanDerWaalsContact O-N 3.13Å
679	Q	98.4	Very high	95.9	Very high	27 Å²	27	24 Å²	24	13%	0.126	12%	0.121	C	C	.	.			trans	-129.7	126.4	166.6	-175.2	-161.9	46.7	0	0	107.7	P551 V681 N682 D707 Q713	P551-Q679 PolarHBondContact O-NE2 2.94Å; Q679-V681 PolarHBondContact NE2-O 2.8Å; Q679-N682 PolarHBondContact OE1-ND2 2.78Å; Q679-D707 WeakPolarHBondContact CG-OD2 3.2Å; Q679-Q713 HydrophobicContact CB-CB 4.46Å; Q679-Q713 HydrophobicContact CB-CG 4.17Å; Q679-Q713 HydrophobicContact CG-CB 4.47Å
680	L	98.4	Very high	95.5	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	13%	0.126	C	C	.	.			trans	-93.9	-34.9	177.7	-61.1	179.5	0	0	0	112	M653 F671 V678 K686 Y690 V705 D707	M653-L680 VanDerWaalsContact CE-O 3.26Å; M653-L680 WeakPolarHBondContact CE-O 3.5Å; F671-L680 HydrophobicContact CD1-CD1 4.46Å; F671-L680 HydrophobicContact CE1-CD1 4.21Å; V678-L680 HydrophobicContact CG1-CD2 4.01Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; L680-K686 PolarHBondContact O-NZ 3.12Å; L680-Y690 HydrophobicContact CD2-CE1 4.44Å; L680-Y690 VanDerWaalsContact CD2-OH 3.28Å; L680-Y690 WeakPolarHBondContact CD2-OH 3.42Å; L680-V705 HydrophobicContact CB-CG1 3.76Å; L680-V705 HydrophobicContact CD1-CG1 3.56Å; L680-V705 HydrophobicContact CG-CG1 4.34Å; L680-D707 WeakPolarHBondContact CB-OD1 3.16Å; L680-D707 VanDerWaalsContact N-CG 3.34Å; L680-D707 PolarHBondContact N-OD1 3.08Å; L680-D707 PolarHBondContact N-OD2 3.38Å
681	V	98.8	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.			trans	-95.4	98.8	-173.4	-176.3	0	0	0	0	109.6	L552 I639 M653 Q679 V705 D707	L552-V681 HydrophobicContact CD2-CG1 4.18Å; L552-V681 VanDerWaalsContact CD2-O 3.32Å; L552-V681 WeakPolarHBondContact CD2-O 3.38Å; I639-V681 HydrophobicContact CG2-CG1 4.12Å; M653-V681 HydrophobicContact CE-CG2 4.07Å; M653-V681 HydrophobicContact CG-CB 4.47Å; M653-V681 HydrophobicContact CG-CG1 4Å; M653-V681 HydrophobicContact CG-CG2 4.18Å; Q679-V681 PolarHBondContact NE2-O 2.8Å; V681-V705 HydrophobicContact CG2-CG1 4.21Å; V681-D707 WeakPolarHBondContact CA-OD2 3.35Å; V681-D707 HydrophobicContact CB-CB 4.47Å; V681-D707 WeakPolarHBondContact CB-OD2 3.34Å; V681-D707 HydrophobicContact CG2-CB 4.32Å; V681-D707 PolarHBondContact N-OD2 3.16Å
682	N	98.6	Very high	94.8	Very high	16 Å²	16	29.5 Å²	29.5	9%	0.086	14%	0.143	C	C	.	.	S	Bend	trans	-157.1	160.3	172.6	50.5	49.8	0	0	0	108.6	L552 Q679 S684 K686	L552-N682 WeakPolarHBondContact O-CB 3.36Å; Q679-N682 PolarHBondContact OE1-ND2 2.78Å; N682-S684 PolarHBondContact O-N 3.36Å; N682-S684 PolarHBondContact OD1-OG 3.29Å; N682-K686 WeakPolarHBondContact O-CE 3.46Å; N682-K686 PolarHBondContact O-NZ 2.78Å; N682-K686 PolarHBondContact OD1-NZ 3.47Å
683	N	98.4	Very high	94.6	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.107	14%	0.144	C	C	.	.	S	Bend	trans	-78.4	70.2	-175.9	-172.2	21	0	0	0	111.2	L552 E553 G574 S576 S594 V595 I639	L552-N683 PolarHBondContact O-N 2.84Å; E553-N683 HydrophobicContact CG-CB 3.89Å; E553-N683 PolarHBondContact OE1-ND2 2.99Å; G574-N683 PolarHBondContact O-ND2 3.21Å; S576-N683 WeakPolarHBondContact CB-O 3.48Å; S576-N683 PolarHBondContact N-O 3.21Å; S594-N683 WeakPolarHBondContact CA-OD1 3.43Å; S594-N683 VanDerWaalsContact CB-OD1 3.3Å; S594-N683 WeakPolarHBondContact CB-OD1 3.38Å; V595-N683 PolarHBondContact N-OD1 3.26Å; I639-N683 HydrophobicContact CD1-CB 4.29Å
684	S	97.1	Very high	94.4	Very high	29 Å²	29	27.8 Å²	27.8	20%	0.203	14%	0.137	C	C	.	.	S	Bend	trans	-137.5	156.2	176.6	65.5	0	0	0	0	110.8	S593 S594 N682 K686	S593-S684 WeakPolarHBondContact OG-CA 3.36Å; S594-S684 CarbonylContact O-C 3.54Å; N682-S684 PolarHBondContact O-N 3.36Å; N682-S684 PolarHBondContact OD1-OG 3.29Å; S684-K686 WeakPolarHBondContact O-CD 3.47Å; S684-K686 WeakPolarHBondContact O-CE 3.43Å; S684-K686 WeakPolarHBondContact O-CG 3.46Å; S684-K686 PolarHBondContact O-N 2.86Å; S684-K686 VanDerWaalsContact O-N 3.13Å; S684-K686 PolarHBondContact OG-NZ 3.27Å
685	F	95.6	Very high	94.5	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.083	14%	0.137	C	C	.	.			trans	-71.3	110.8	-169.5	-171.5	-103.7	0	0	0	113.1	S593 S594 P598 P599 Y634 G687 I688	S593-F685 PolarHBondContact OG-N 3.03Å; S594-F685 WeakPolarHBondContact O-CA 3.42Å; S594-F685 WeakPolarHBondContact O-CB 3.11Å; S594-F685 PolarHBondContact O-N 3.16Å; S594-F685 VanDerWaalsContact O-N 3.16Å; P598-F685 HydrophobicContact CB-CD1 4.49Å; P598-F685 HydrophobicContact CB-CD2 4.45Å; P598-F685 HydrophobicContact CB-CE1 4.45Å; P598-F685 HydrophobicContact CB-CE2 4.4Å; P598-F685 HydrophobicContact CB-CG 4.49Å; P598-F685 HydrophobicContact CB-CZ 4.41Å; P598-F685 HydrophobicContact CG-CD2 4.14Å; P598-F685 HydrophobicContact CG-CE1 4.32Å; P598-F685 HydrophobicContact CG-CE2 3.7Å; P598-F685 HydrophobicContact CG-CZ 3.81Å; P599-F685 HydrophobicContact CG-CB 4.4Å; Y634-F685 AromaticContact CD1-CE2 3.93Å; Y634-F685 HydrophobicContact CD1-CE2 3.93Å; Y634-F685 AromaticContact CD1-CZ 3.86Å; Y634-F685 HydrophobicContact CD1-CZ 3.86Å; Y634-F685 HydrophobicContact CE1-CD2 4.33Å; Y634-F685 AromaticContact CE1-CE2 3.35Å; Y634-F685 HydrophobicContact CE1-CE2 3.35Å; Y634-F685 AromaticContact CE1-CZ 3.55Å; Y634-F685 HydrophobicContact CE1-CZ 3.55Å; F685-G687 VanDerWaalsContact CE1-CA 3.49Å; F685-I688 HydrophobicContact CD1-CD1 4.3Å; F685-I688 HydrophobicContact CD1-CG1 4.03Å; F685-I688 HydrophobicContact CE1-CG1 4.1Å
686	K	94.4	Very high	94.6	Very high	9 Å²	9	28 Å²	28	4%	0.039	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.4	-175	-49.9	-56.8	174.4	-178.5	0	113.5	P637 M653 Y655 L680 N682 S684 I688 Y690	P637-K686 HydrophobicContact CG-CG 4.32Å; M653-K686 HydrophobicContact CE-CD 4.33Å; M653-K686 HydrophobicContact SD-CD 4.13Å; M653-K686 VanDerWaalsContact SD-CE 3.58Å; M653-K686 HydrophobicContact SD-CG 3.93Å; Y655-K686 WeakPolarHBondContact OH-CB 3.31Å; L680-K686 PolarHBondContact O-NZ 3.12Å; N682-K686 WeakPolarHBondContact O-CE 3.46Å; N682-K686 PolarHBondContact O-NZ 2.78Å; N682-K686 PolarHBondContact OD1-NZ 3.47Å; S684-K686 WeakPolarHBondContact O-CD 3.47Å; S684-K686 WeakPolarHBondContact O-CE 3.43Å; S684-K686 WeakPolarHBondContact O-CG 3.46Å; S684-K686 PolarHBondContact O-N 2.86Å; S684-K686 VanDerWaalsContact O-N 3.13Å; S684-K686 PolarHBondContact OG-NZ 3.27Å; K686-I688 PolarHBondContact O-N 2.86Å; K686-Y690 HydrophobicContact CB-CD2 4.39Å; K686-Y690 HydrophobicContact CD-CD2 4.46Å; K686-Y690 WeakPolarHBondContact O-CA 3.47Å; K686-Y690 WeakPolarHBondContact O-CB 3.35Å; K686-Y690 PolarHBondContact O-N 3.19Å
687	G	89.4	Confident	94.6	Very high	10 Å²	10	28 Å²	28	10%	0.103	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	3.3	-171.3	0	0	0	0	0	117.5	Y634 F685	Y634-G687 PolarHBondContact OH-N 2.6Å; F685-G687 VanDerWaalsContact CE1-CA 3.49Å
688	I	85.7	Confident	94.5	Very high	72 Å²	72	28.9 Å²	28.9	37%	0.369	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-70.5	169.4	-60.7	170.4	0	0	0	109.5	I76 V77 P599 F685 K686 Y690	I76-I688 HydrophobicContact CG2-CD1 4.06Å; I76-I688 HydrophobicContact CG2-CG1 3.9Å; V77-I688 HydrophobicContact CG2-CG2 4.35Å; P599-I688 HydrophobicContact CG-CD1 4.31Å; F685-I688 HydrophobicContact CD1-CD1 4.3Å; F685-I688 HydrophobicContact CD1-CG1 4.03Å; F685-I688 HydrophobicContact CE1-CG1 4.1Å; K686-I688 PolarHBondContact O-N 2.86Å; I688-Y690 VanDerWaalsContact C-N 3.34Å; I688-Y690 PolarHBondContact O-N 2.66Å
689	K	86.8	Confident	94.5	Very high	143 Å²	143	28.4 Å²	28.4	62%	0.622	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.2	-175.7	-175.2	177.8	175.4	-163.7	0	113.6
690	Y	91.6	Very high	94.4	Very high	31 Å²	31	27.4 Å²	27.4	12%	0.122	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	21.5	-172.6	-57.6	-79.4	0	0	0	113.3	F671 L680 K686 I688 R692 L693	F671-Y690 AromaticContact CE1-CD1 3.97Å; F671-Y690 HydrophobicContact CE1-CD1 3.97Å; F671-Y690 AromaticContact CE1-CE1 3.65Å; F671-Y690 HydrophobicContact CE1-CE1 3.65Å; F671-Y690 HydrophobicContact CZ-CD1 4.3Å; F671-Y690 AromaticContact CZ-CE1 3.98Å; F671-Y690 HydrophobicContact CZ-CE1 3.98Å; L680-Y690 HydrophobicContact CD2-CE1 4.44Å; L680-Y690 VanDerWaalsContact CD2-OH 3.28Å; L680-Y690 WeakPolarHBondContact CD2-OH 3.42Å; K686-Y690 HydrophobicContact CB-CD2 4.39Å; K686-Y690 HydrophobicContact CD-CD2 4.46Å; K686-Y690 WeakPolarHBondContact O-CA 3.47Å; K686-Y690 WeakPolarHBondContact O-CB 3.35Å; K686-Y690 PolarHBondContact O-N 3.19Å; I688-Y690 VanDerWaalsContact C-N 3.34Å; I688-Y690 PolarHBondContact O-N 2.66Å; Y690-R692 PolarHBondContact O-N 3.03Å; Y690-R692 VanDerWaalsContact O-N 3.13Å; Y690-L693 HydrophobicContact CD1-CD1 4.14Å; Y690-L693 HydrophobicContact CG-CD1 4.42Å; Y690-L693 WeakPolarHBondContact O-CB 3.4Å; Y690-L693 PolarHBondContact O-N 2.82Å
691	L	90.1	Very high	94.4	Very high	29 Å²	29	27.3 Å²	27.3	15%	0.152	14%	0.139	C	C	.	.	H	α-helix	trans	-50.1	-40.9	-179.7	-178.9	63.7	0	0	0	113.4	S73 Y634 L693 N694 T695	S73-L691 WeakPolarHBondContact OG-CD2 3.28Å; Y634-L691 HydrophobicContact CD2-CD1 4.13Å; L691-L693 PolarHBondContact O-N 3.49Å; L691-L693 VanDerWaalsContact O-N 3.09Å; L691-N694 WeakPolarHBondContact O-CA 3.47Å; L691-N694 WeakPolarHBondContact O-CB 3.13Å; L691-N694 PolarHBondContact O-N 2.91Å; L691-T695 PolarHBondContact O-N 3.48Å; L691-T695 PolarHBondContact O-OG1 3.41Å
692	R	91.3	Very high	94.4	Very high	73 Å²	73	27.3 Å²	27.3	28%	0.275	14%	0.139	S	C	.	.	H	α-helix	trans	-55.7	-24.1	176.3	54.5	177.8	157.4	-99.6	-2.2	114.6	Y690 T695 L696 E881	Y690-R692 PolarHBondContact O-N 3.03Å; Y690-R692 VanDerWaalsContact O-N 3.13Å; R692-T695 PolarHBondContact O-N 3.06Å; R692-L696 WeakPolarHBondContact O-CG 3.38Å; R692-L696 PolarHBondContact O-N 2.82Å; R692-E881 WeakPolarHBondContact CD-OE1 3.24Å; R692-E881 IonicContact CZ-OE1 2.68Å; R692-E881 IonicContact NE-OE1 3.07Å; R692-E881 IonicContact NH1-OE1 3.15Å; R692-E881 PolarHBondContact NH1-OE1 2.88Å
693	L	95.8	Very high	94.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-73.5	-34.5	173.7	-53.3	-170.3	0	0	0	111.7	Y655 F671 Y690 L691 L696 A697 V703 V705	Y655-L693 HydrophobicContact CD2-CB 4.1Å; Y655-L693 HydrophobicContact CE1-CB 4.23Å; Y655-L693 HydrophobicContact CE2-CB 3.72Å; Y655-L693 HydrophobicContact CE2-CD1 3.87Å; Y655-L693 HydrophobicContact CE2-CG 4.46Å; F671-L693 HydrophobicContact CB-CD1 4.17Å; F671-L693 HydrophobicContact CB-CD2 4.01Å; F671-L693 HydrophobicContact CD1-CD1 3.9Å; F671-L693 HydrophobicContact CD2-CD2 4.01Å; F671-L693 HydrophobicContact CG-CD1 3.99Å; F671-L693 HydrophobicContact CG-CD2 3.93Å; Y690-L693 HydrophobicContact CD1-CD1 4.14Å; Y690-L693 HydrophobicContact CG-CD1 4.42Å; Y690-L693 WeakPolarHBondContact O-CB 3.4Å; Y690-L693 PolarHBondContact O-N 2.82Å; L691-L693 PolarHBondContact O-N 3.49Å; L691-L693 VanDerWaalsContact O-N 3.09Å; L693-L696 HydrophobicContact CD2-CD1 4.25Å; L693-L696 PolarHBondContact O-N 3.04Å; L693-A697 PolarHBondContact O-N 3.01Å; L693-A697 VanDerWaalsContact O-N 3.16Å; L693-V703 HydrophobicContact CB-CG1 4.17Å; L693-V703 HydrophobicContact CD1-CG1 4.4Å; L693-V703 HydrophobicContact CD2-CG1 4.12Å; L693-V703 HydrophobicContact CG-CG1 4.44Å; L693-V705 HydrophobicContact CD1-CG2 4.15Å
694	N	94.4	Very high	94.4	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-71.5	-32.9	168.4	165.3	-90.5	0	0	0	111.6	D633 Y634 I635 Y655 H658 L691 L696 A697 S698	D633-N694 PolarHBondContact O-ND2 3.1Å; Y634-N694 HydrophobicContact CD2-CB 3.92Å; Y634-N694 HydrophobicContact CE2-CB 3.9Å; I635-N694 PolarHBondContact N-ND2 3.26Å; I635-N694 PolarHBondContact O-ND2 2.91Å; Y655-N694 HydrophobicContact CD1-CB 4.24Å; Y655-N694 HydrophobicContact CE1-CB 4.2Å; H658-N694 PolarHBondContact CE1-ND2 3.35Å; H658-N694 PolarHBondContact CE1-OD1 3.4Å; H658-N694 PolarHBondContact NE2-ND2 3.22Å; H658-N694 PolarHBondContact NE2-O 3.44Å; L691-N694 WeakPolarHBondContact O-CA 3.47Å; L691-N694 WeakPolarHBondContact O-CB 3.13Å; L691-N694 PolarHBondContact O-N 2.91Å; N694-L696 VanDerWaalsContact C-N 3.35Å; N694-A697 WeakPolarHBondContact O-CB 3.37Å; N694-A697 PolarHBondContact O-N 3.05Å; N694-A697 VanDerWaalsContact O-N 3.15Å; N694-S698 PolarHBondContact O-N 3.22Å
695	T	94.1	Very high	94.5	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-33.3	172	-45.7	0	0	0	0	112.9	I65 I66 L691 R692 S698 L699	I65-T695 HydrophobicContact CG2-CG2 4.2Å; I66-T695 HydrophobicContact CD1-CG2 4.31Å; L691-T695 PolarHBondContact O-N 3.48Å; L691-T695 PolarHBondContact O-OG1 3.41Å; R692-T695 PolarHBondContact O-N 3.06Å; T695-S698 PolarHBondContact O-OG 2.64Å; T695-L699 WeakPolarHBondContact O-CG 3.3Å; T695-L699 PolarHBondContact O-N 2.83Å
696	L	96.9	Very high	94.6	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-41.9	168.5	-76.7	168.2	0	0	0	111.2	V669 R692 L693 N694 S698 L699 G700 Y701 V703 L885 L888	V669-L696 HydrophobicContact CB-CD1 4.44Å; V669-L696 HydrophobicContact CG1-CD1 4.25Å; V669-L696 HydrophobicContact CG2-CD1 4.43Å; V669-L696 HydrophobicContact CG2-CD2 4.5Å; R692-L696 WeakPolarHBondContact O-CG 3.38Å; R692-L696 PolarHBondContact O-N 2.82Å; L693-L696 HydrophobicContact CD2-CD1 4.25Å; L693-L696 PolarHBondContact O-N 3.04Å; N694-L696 VanDerWaalsContact C-N 3.35Å; L696-S698 PolarHBondContact O-N 2.98Å; L696-L699 PolarHBondContact O-N 3.38Å; L696-G700 PolarHBondContact O-N 3.35Å; L696-Y701 HydrophobicContact CB-CD2 4.4Å; L696-Y701 HydrophobicContact CD2-CD2 3.76Å; L696-Y701 HydrophobicContact CD2-CE2 4.09Å; L696-Y701 HydrophobicContact CD2-CG 4.25Å; L696-Y701 WeakPolarHBondContact O-CD2 3.4Å; L696-Y701 PolarHBondContact O-N 3.25Å; L696-V703 HydrophobicContact CB-CG2 3.55Å; L696-V703 HydrophobicContact CD1-CG2 4.16Å; L696-L885 HydrophobicContact CD2-CD2 3.51Å; L696-L885 HydrophobicContact CG-CD2 4.26Å; L696-L888 HydrophobicContact CD2-CD1 3.45Å; L696-L888 VanDerWaalsContact CD2-CD1 3.45Å
697	A	97	Very high	94.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.9	-34.5	177.7	0	0	0	0	0	113.9	P657 H658 L693 N694 L699 G700 Y701	P657-A697 WeakPolarHBondContact CA-O 3.34Å; H658-A697 VanDerWaalsContact CD2-C 3.45Å; H658-A697 PolarHBondContact CD2-O 2.36Å; H658-A697 PolarHBondContact N-O 2.61Å; H658-A697 VanDerWaalsContact NE2-CB 3.25Å; H658-A697 WeakPolarHBondContact NE2-CB 3.4Å; L693-A697 PolarHBondContact O-N 3.01Å; L693-A697 VanDerWaalsContact O-N 3.16Å; N694-A697 WeakPolarHBondContact O-CB 3.37Å; N694-A697 PolarHBondContact O-N 3.05Å; N694-A697 VanDerWaalsContact O-N 3.15Å; A697-L699 VanDerWaalsContact C-N 3.33Å; A697-G700 PolarHBondContact O-N 3.23Å; A697-Y701 WeakPolarHBondContact CA-O 3.37Å
698	S	95.1	Very high	95.3	Very high	56 Å²	56	22.9 Å²	22.9	39%	0.392	11%	0.113	S	C	.	.	H	α-helix	trans	-71.1	-28	174.7	68.3	0	0	0	0	113.1	H658 N694 T695 L696 G700	H658-S698 WeakPolarHBondContact CE1-CB 3.34Å; H658-S698 WeakPolarHBondContact ND1-CB 3.46Å; N694-S698 PolarHBondContact O-N 3.22Å; T695-S698 PolarHBondContact O-OG 2.64Å; L696-S698 PolarHBondContact O-N 2.98Å; S698-G700 PolarHBondContact O-N 2.61Å
699	L	95.9	Very high	95.9	Very high	34 Å²	34	22 Å²	22	18%	0.178	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.1	172.9	-64.2	172.8	0	0	0	113.5	I65 T695 L696 A697 Y701 L885	I65-L699 HydrophobicContact CD1-CD2 4.19Å; T695-L699 WeakPolarHBondContact O-CG 3.3Å; T695-L699 PolarHBondContact O-N 2.83Å; L696-L699 PolarHBondContact O-N 3.38Å; A697-L699 VanDerWaalsContact C-N 3.33Å; L699-Y701 HydrophobicContact CB-CD2 4.24Å; L699-Y701 HydrophobicContact CB-CE2 4.26Å; L699-L885 HydrophobicContact CD1-CD1 3.77Å; L699-L885 HydrophobicContact CD1-CD2 3.74Å; L699-L885 HydrophobicContact CD1-CG 4.33Å
700	G	96.7	Very high	96.4	Very high	6 Å²	6	15.1 Å²	15.1	6%	0.062	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	13.8	172.4	0	0	0	0	0	115.6	H666 L696 A697 S698	H666-G700 PolarHBondContact ND1-O 3.22Å; L696-G700 PolarHBondContact O-N 3.35Å; A697-G700 PolarHBondContact O-N 3.23Å; S698-G700 PolarHBondContact O-N 2.61Å
701	Y	98.3	Very high	96.7	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.016	7%	0.071	C	C	.	.			trans	-81	143.8	167	-61.3	-88.2	0	0	0	110.5	V54 P667 V669 L696 A697 L699 L888 Q889 L892	V54-Y701 HydrophobicContact CG1-CD1 4.4Å; V54-Y701 HydrophobicContact CG1-CD2 4.34Å; V54-Y701 HydrophobicContact CG1-CE1 4.03Å; V54-Y701 HydrophobicContact CG1-CE2 3.98Å; P667-Y701 HydrophobicContact CB-CD1 4.06Å; P667-Y701 HydrophobicContact CB-CE1 4.28Å; P667-Y701 HydrophobicContact CG-CD1 3.76Å; P667-Y701 HydrophobicContact CG-CE1 3.98Å; P667-Y701 WeakPolarHBondContact O-CA 3.23Å; V669-Y701 HydrophobicContact CG2-CD1 4.04Å; V669-Y701 HydrophobicContact CG2-CG 4.31Å; L696-Y701 HydrophobicContact CB-CD2 4.4Å; L696-Y701 HydrophobicContact CD2-CD2 3.76Å; L696-Y701 HydrophobicContact CD2-CE2 4.09Å; L696-Y701 HydrophobicContact CD2-CG 4.25Å; L696-Y701 WeakPolarHBondContact O-CD2 3.4Å; L696-Y701 PolarHBondContact O-N 3.25Å; A697-Y701 WeakPolarHBondContact CA-O 3.37Å; L699-Y701 HydrophobicContact CB-CD2 4.24Å; L699-Y701 HydrophobicContact CB-CE2 4.26Å; Y701-L888 HydrophobicContact CE1-CB 4.02Å; Y701-L888 WeakPolarHBondContact OH-CB 3.42Å; Y701-Q889 WeakPolarHBondContact OH-CA 3.42Å; Y701-Q889 PolarHBondContact OH-N 2.88Å; Y701-Q889 VanDerWaalsContact OH-N 3.13Å; Y701-L892 HydrophobicContact CD1-CD2 4.25Å; Y701-L892 HydrophobicContact CE1-CD2 4.08Å
702	A	98.4	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.7	159.3	0	0	0	0	0	108.6	P657 P667 T668 V669 F747 I748	P657-A702 HydrophobicContact CG-CB 4.34Å; P667-A702 PolarHBondContact O-N 2.97Å; T668-A702 CarbonylContact C-O 3.39Å; T668-A702 VanDerWaalsContact CA-O 3.31Å; T668-A702 WeakPolarHBondContact CA-O 3.32Å; T668-A702 HydrophobicContact CG2-CB 4.24Å; V669-A702 PolarHBondContact N-O 3.05Å; A702-F747 HydrophobicContact CB-CD2 4.1Å; A702-F747 HydrophobicContact CB-CE2 3.8Å; A702-I748 HydrophobicContact CB-CD1 3.6Å
703	V	98.8	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.3	175.6	-168.7	0	0	0	0	110.3	V654 Y655 V669 F671 L693 L696	V654-V703 CarbonylContact C-O 3.56Å; V654-V703 WeakPolarHBondContact CA-O 3.35Å; Y655-V703 HydrophobicContact CD2-CB 3.99Å; Y655-V703 HydrophobicContact CD2-CG1 4.26Å; Y655-V703 HydrophobicContact CG-CB 4.35Å; Y655-V703 PolarHBondContact N-O 3.33Å; Y655-V703 PolarHBondContact O-N 3.1Å; Y655-V703 VanDerWaalsContact O-N 3.09Å; V669-V703 WeakPolarHBondContact O-CA 3.39Å; V669-V703 WeakPolarHBondContact O-CG1 3.33Å; F671-V703 HydrophobicContact CB-CG1 4.4Å; L693-V703 HydrophobicContact CB-CG1 4.17Å; L693-V703 HydrophobicContact CD1-CG1 4.4Å; L693-V703 HydrophobicContact CD2-CG1 4.12Å; L693-V703 HydrophobicContact CG-CG1 4.44Å; L696-V703 HydrophobicContact CB-CG2 3.55Å; L696-V703 HydrophobicContact CD1-CG2 4.16Å
704	V	98.9	Very high	97.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.9	-178.7	-178.6	0	0	0	0	109.4	F640 M653 V654 T668 V669 L670 F671 I706 L738 V741	F640-V704 HydrophobicContact CZ-CG1 4.42Å; M653-V704 WeakPolarHBondContact O-CA 3.49Å; V654-V704 HydrophobicContact CG2-CG2 4.48Å; T668-V704 HydrophobicContact CG2-CG2 4.05Å; V669-V704 PolarHBondContact O-N 3.44Å; L670-V704 HydrophobicContact CD1-CB 3.99Å; L670-V704 HydrophobicContact CD1-CG1 3.88Å; F671-V704 PolarHBondContact N-O 2.86Å; V704-I706 HydrophobicContact CG1-CD1 3.9Å; V704-I706 HydrophobicContact CG1-CG1 3.97Å; V704-L738 HydrophobicContact CG2-CD1 4.33Å; V704-V741 HydrophobicContact CG1-CG2 4.36Å; V704-V741 HydrophobicContact CG2-CG1 4.05Å
705	V	98.9	Very high	97.6	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.012	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.4	169.5	-174.8	0	0	0	0	107.1	G652 M653 F671 L680 V681 L693	G652-V705 CarbonylContact C-O 3.59Å; G652-V705 WeakPolarHBondContact CA-O 3.28Å; M653-V705 HydrophobicContact CB-CB 4.29Å; M653-V705 HydrophobicContact CE-CB 4.11Å; M653-V705 HydrophobicContact CE-CG1 4.12Å; M653-V705 HydrophobicContact CE-CG2 4.31Å; M653-V705 PolarHBondContact N-O 2.93Å; M653-V705 PolarHBondContact O-N 2.46Å; F671-V705 HydrophobicContact CB-CG2 4.19Å; F671-V705 HydrophobicContact CD1-CG2 4.12Å; L680-V705 HydrophobicContact CB-CG1 3.76Å; L680-V705 HydrophobicContact CD1-CG1 3.56Å; L680-V705 HydrophobicContact CG-CG1 4.34Å; V681-V705 HydrophobicContact CG2-CG1 4.21Å; L693-V705 HydrophobicContact CD1-CG2 4.15Å
706	I	98.9	Very high	97.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.4	177.3	-64.2	152.4	0	0	0	108.3	F640 F642 L670 V704 G708 Q734	F640-I706 HydrophobicContact CZ-CG1 4.2Å; F642-I706 HydrophobicContact CE1-CG2 4.1Å; F642-I706 HydrophobicContact CZ-CG2 4.3Å; L670-I706 HydrophobicContact CD1-CD1 4.22Å; V704-I706 HydrophobicContact CG1-CD1 3.9Å; V704-I706 HydrophobicContact CG1-CG1 3.97Å; I706-G708 PolarHBondContact O-N 3.01Å; I706-Q734 WeakPolarHBondContact CD1-O 3.25Å; I706-Q734 PolarHBondContact O-NE2 3.04Å
707	D	98.8	Very high	97.9	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.032	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	99.4	165.9	-76.3	-22.5	0	0	0	108	Y651 Q679 L680 V681	Y651-D707 PolarHBondContact O-N 3.21Å; Q679-D707 WeakPolarHBondContact CG-OD2 3.2Å; L680-D707 WeakPolarHBondContact CB-OD1 3.16Å; L680-D707 VanDerWaalsContact N-CG 3.34Å; L680-D707 PolarHBondContact N-OD1 3.08Å; L680-D707 PolarHBondContact N-OD2 3.38Å; V681-D707 WeakPolarHBondContact CA-OD2 3.35Å; V681-D707 HydrophobicContact CB-CB 4.47Å; V681-D707 WeakPolarHBondContact CB-OD2 3.34Å; V681-D707 HydrophobicContact CG2-CB 4.32Å; V681-D707 PolarHBondContact N-OD2 3.16Å
708	G	98.3	Very high	97.9	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	11%	0.113	C	C	.	.			trans	-80.6	175.7	174.9	0	0	0	0	0	112.4	I706 G710 S711 F718	I706-G708 PolarHBondContact O-N 3.01Å; G708-G710 PolarHBondContact O-N 2.96Å; G708-S711 PolarHBondContact O-N 3.06Å; G708-S711 VanDerWaalsContact O-N 3.11Å; G708-F718 VanDerWaalsContact O-CE1 3.27Å; G708-F718 WeakPolarHBondContact O-CE1 3.43Å
709	R	98.6	Very high	98.1	Very high	53 Å²	53	20.5 Å²	20.5	20%	0.2	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	135.2	170.5	-69	173.2	-71.4	157.5	-5.3	109.9	V648 L650 F718 A721 V729 D733	V648-R709 HydrophobicContact CG1-CG 4.21Å; L650-R709 HydrophobicContact CD2-CG 4.37Å; R709-F718 HydrophobicContact CG-CD2 4.49Å; R709-F718 HydrophobicContact CG-CE2 4.11Å; R709-F718 HydrophobicContact CG-CZ 4.32Å; R709-A721 HydrophobicContact CB-CB 3.75Å; R709-A721 HydrophobicContact CG-CB 4.48Å; R709-V729 HydrophobicContact CB-CG1 4.46Å; R709-V729 VanDerWaalsContact CZ-CG1 3.4Å; R709-D733 VanDerWaalsContact CB-OD2 3.28Å; R709-D733 WeakPolarHBondContact CB-OD2 3.29Å; R709-D733 VanDerWaalsContact CG-OD2 3.25Å; R709-D733 WeakPolarHBondContact CG-OD2 3.09Å; R709-D733 IonicContact CZ-OD1 2.86Å; R709-D733 VanDerWaalsContact CZ-OD1 3.25Å; R709-D733 IonicContact CZ-OD2 2.7Å; R709-D733 PolarHBondContact N-OD2 2.91Å; R709-D733 IonicContact NE-OD1 3.87Å; R709-D733 PolarHBondContact NE-OD1 3.49Å; R709-D733 IonicContact NE-OD2 3.66Å; R709-D733 PolarHBondContact NE-OD2 3.04Å; R709-D733 IonicContact NH2-OD1 3.7Å; R709-D733 PolarHBondContact NH2-OD1 2.87Å; R709-D733 IonicContact NH2-OD2 3.8Å
710	G	97.9	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-22.5	-167.4	0	0	0	0	0	115.1	P676 G708 F718 E719	P676-G710 VanDerWaalsContact CA-O 3.27Å; P676-G710 WeakPolarHBondContact CA-O 3.28Å; G708-G710 PolarHBondContact O-N 2.96Å; G710-F718 PolarHBondContact N-O 2.84Å; G710-E719 WeakPolarHBondContact O-CG 3.15Å
711	S	98.3	Very high	98.3	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.021	10%	0.099	C	C	.	.			trans	-67.9	155.2	173.3	84.9	0	0	0	0	111.9	V678 G708 F718	V678-S711 WeakPolarHBondContact O-CA 3.46Å; V678-S711 VanDerWaalsContact O-CB 3.31Å; V678-S711 WeakPolarHBondContact O-CB 3.22Å; G708-S711 PolarHBondContact O-N 3.06Å; G708-S711 VanDerWaalsContact O-N 3.11Å; S711-F718 WeakPolarHBondContact O-CD1 3.24Å; S711-F718 WeakPolarHBondContact OG-CE1 3.4Å
712	C	96.9	Very high	98.3	Very high	21 Å²	21	20 Å²	20	14%	0.142	10%	0.098	C	C	.	.	S	Bend	trans	-80.4	-174	174.1	74.8	0	0	0	0	112.4	Q677 V678 R714	Q677-C712 PolarHBondContact O-SG 2.97Å; V678-C712 PolarHBondContact O-N 2.96Å; V678-C712 VanDerWaalsContact O-N 3.13Å; C712-R714 VanDerWaalsContact C-N 3.31Å; C712-R714 PolarHBondContact O-N 2.97Å
713	Q	97.2	Very high	98.3	Very high	26 Å²	26	22.1 Å²	22.1	12%	0.121	11%	0.107	C	C	.	.	S	Bend	trans	67.9	24	-179.2	-55.2	-48.4	-72.6	0	0	115	E524 Q679	E524-Q713 PolarHBondContact OE1-NE2 3.46Å; E524-Q713 PolarHBondContact OE1-OE1 3.32Å; E524-Q713 WeakPolarHBondContact OE2-CA 3.44Å; Q679-Q713 HydrophobicContact CB-CB 4.46Å; Q679-Q713 HydrophobicContact CB-CG 4.17Å; Q679-Q713 HydrophobicContact CG-CB 4.47Å
714	R	98.1	Very high	98.3	Very high	49 Å²	49	24.1 Å²	24.1	19%	0.185	12%	0.118	C	C	.	.	S	Bend	trans	-141	10	-176.3	-60.1	-62.2	-61.7	-78.8	9.9	113.3	F480 E524 E649 C712 F718	F480-R714 WeakPolarHBondContact CE1-O 3.12Å; E524-R714 PolarHBondContact OE2-N 2.77Å; E649-R714 VanDerWaalsContact O-CZ 3.3Å; E649-R714 PolarHBondContact O-NH1 3.19Å; E649-R714 PolarHBondContact O-NH2 3.45Å; C712-R714 VanDerWaalsContact C-N 3.31Å; C712-R714 PolarHBondContact O-N 2.97Å; R714-F718 HydrophobicContact CB-CB 3.59Å; R714-F718 HydrophobicContact CB-CD1 3.47Å; R714-F718 VanDerWaalsContact CB-CD1 3.47Å; R714-F718 HydrophobicContact CB-CD2 4.01Å; R714-F718 HydrophobicContact CB-CE1 4.09Å; R714-F718 HydrophobicContact CB-CG 3.42Å; R714-F718 VanDerWaalsContact CB-CG 3.42Å; R714-F718 HydrophobicContact CG-CD1 3.82Å; R714-F718 HydrophobicContact CG-CD2 4.37Å; R714-F718 HydrophobicContact CG-CE1 3.89Å; R714-F718 HydrophobicContact CG-CE2 4.44Å; R714-F718 HydrophobicContact CG-CG 4.07Å; R714-F718 HydrophobicContact CG-CZ 4.21Å; R714-F718 WeakPolarHBondContact O-CB 3.34Å
715	G	97.9	Very high	98.3	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	14%	0.136	C	C	.	.			trans	74.6	154.8	-175.5	0	0	0	0	0	115.8	G479 E524 K717 F718 E719	G479-G715 CarbonylContact O-C 3.6Å; G479-G715 WeakPolarHBondContact O-CA 3.35Å; E524-G715 PolarHBondContact OE2-N 2.82Å; G715-K717 PolarHBondContact O-N 3.45Å; G715-F718 WeakPolarHBondContact O-CB 3.49Å; G715-F718 PolarHBondContact O-N 3.03Å; G715-E719 PolarHBondContact O-N 2.72Å
716	L	98.2	Very high	98.3	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-50.7	-31.1	-175.1	-167.8	57.4	0	0	0	115.8	V447 W448 E475 G479 F718 G720	V447-L716 HydrophobicContact CB-CD1 3.96Å; V447-L716 HydrophobicContact CB-CD2 3.99Å; V447-L716 HydrophobicContact CB-CG 3.77Å; V447-L716 HydrophobicContact CG1-CD1 3.61Å; V447-L716 HydrophobicContact CG1-CG 3.83Å; V447-L716 HydrophobicContact CG2-CD2 4.44Å; V447-L716 HydrophobicContact CG2-CG 4.16Å; W448-L716 HydrophobicContact CG-CD1 4.34Å; E475-L716 HydrophobicContact CG-CB 3.74Å; E475-L716 HydrophobicContact CG-CD2 4.16Å; E475-L716 PolarHBondContact OE1-N 2.92Å; G479-L716 PolarHBondContact O-N 2.79Å; L716-F718 VanDerWaalsContact C-N 3.31Å; L716-F718 PolarHBondContact O-N 2.92Å; L716-G720 WeakPolarHBondContact O-CA 3.43Å; L716-G720 PolarHBondContact O-N 2.83Å
717	K	97.9	Very high	98.2	Very high	187 Å²	187	27.9 Å²	27.9	81%	0.813	14%	0.136	S	C	*	.	H	α-helix	trans	-70	-28.9	177.2	-172.9	178.3	177.5	-174.8	0	112.6	G715	G715-K717 PolarHBondContact O-N 3.45Å
718	F	98.4	Very high	98.1	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.088	15%	0.152	C	C	.	.	H	α-helix	trans	-82.7	-39	177.1	-173.9	-80.8	0	0	0	111.4	V648 L650 G708 R709 G710 S711 R714 G715 L716 A721	V648-F718 HydrophobicContact CG1-CD2 4.16Å; V648-F718 HydrophobicContact CG1-CE2 3.77Å; L650-F718 HydrophobicContact CD2-CE2 3.64Å; L650-F718 HydrophobicContact CD2-CZ 3.52Å; G708-F718 VanDerWaalsContact O-CE1 3.27Å; G708-F718 WeakPolarHBondContact O-CE1 3.43Å; R709-F718 HydrophobicContact CG-CD2 4.49Å; R709-F718 HydrophobicContact CG-CE2 4.11Å; R709-F718 HydrophobicContact CG-CZ 4.32Å; G710-F718 PolarHBondContact N-O 2.84Å; S711-F718 WeakPolarHBondContact O-CD1 3.24Å; S711-F718 WeakPolarHBondContact OG-CE1 3.4Å; R714-F718 HydrophobicContact CB-CB 3.59Å; R714-F718 HydrophobicContact CB-CD1 3.47Å; R714-F718 VanDerWaalsContact CB-CD1 3.47Å; R714-F718 HydrophobicContact CB-CD2 4.01Å; R714-F718 HydrophobicContact CB-CE1 4.09Å; R714-F718 HydrophobicContact CB-CG 3.42Å; R714-F718 VanDerWaalsContact CB-CG 3.42Å; R714-F718 HydrophobicContact CG-CD1 3.82Å; R714-F718 HydrophobicContact CG-CD2 4.37Å; R714-F718 HydrophobicContact CG-CE1 3.89Å; R714-F718 HydrophobicContact CG-CE2 4.44Å; R714-F718 HydrophobicContact CG-CG 4.07Å; R714-F718 HydrophobicContact CG-CZ 4.21Å; R714-F718 WeakPolarHBondContact O-CB 3.34Å; G715-F718 WeakPolarHBondContact O-CB 3.49Å; G715-F718 PolarHBondContact O-N 3.03Å; L716-F718 VanDerWaalsContact C-N 3.31Å; L716-F718 PolarHBondContact O-N 2.92Å; F718-A721 WeakPolarHBondContact O-CB 3.23Å
719	E	98.5	Very high	98.1	Very high	6 Å²	6	32 Å²	32	3%	0.028	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-45.1	173.7	-147.6	-171.5	-149.7	0	0	111	W448 N450 P676 Q677 G710 G715 A721 L722	W448-E719 WeakPolarHBondContact CH2-O 3.38Å; W448-E719 HydrophobicContact CZ2-CB 4.03Å; W448-E719 HydrophobicContact CZ2-CG 3.89Å; W448-E719 PolarHBondContact NE1-OE2 3.35Å; N450-E719 PolarHBondContact ND2-OE2 2.64Å; P676-E719 HydrophobicContact CB-CG 4.13Å; Q677-E719 PolarHBondContact N-OE1 3.2Å; G710-E719 WeakPolarHBondContact O-CG 3.15Å; G715-E719 PolarHBondContact O-N 2.72Å; E719-A721 PolarHBondContact O-N 2.85Å; E719-L722 PolarHBondContact O-N 2.95Å
720	G	98.3	Very high	98.1	Very high	15 Å²	15	29.5 Å²	29.5	16%	0.155	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.1	-8.9	179.9	0	0	0	0	0	115.8	V447 L716 L722 K723	V447-G720 VanDerWaalsContact CG1-CA 3.49Å; L716-G720 WeakPolarHBondContact O-CA 3.43Å; L716-G720 PolarHBondContact O-N 2.83Å; G720-L722 PolarHBondContact O-N 2.96Å; G720-L722 VanDerWaalsContact O-N 3.12Å; G720-K723 WeakPolarHBondContact O-CB 3.39Å; G720-K723 PolarHBondContact O-N 3.04Å
721	A	98.3	Very high	98.1	Very high	20 Å²	20	29.7 Å²	29.7	17%	0.165	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-58	-21.9	172.4	0	0	0	0	0	113.2	R709 F718 E719 Q725	R709-A721 HydrophobicContact CB-CB 3.75Å; R709-A721 HydrophobicContact CG-CB 4.48Å; F718-A721 WeakPolarHBondContact O-CB 3.23Å; E719-A721 PolarHBondContact O-N 2.85Å; A721-Q725 PolarHBondContact O-NE2 2.81Å
722	L	98.4	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-88.6	-5.2	176.8	-55.1	-172.1	0	0	0	114.4	E719 G720 N724 Q725 M726 V729 E730	E719-L722 PolarHBondContact O-N 2.95Å; G720-L722 PolarHBondContact O-N 2.96Å; G720-L722 VanDerWaalsContact O-N 3.12Å; L722-N724 PolarHBondContact O-N 2.86Å; L722-N724 VanDerWaalsContact O-N 3.15Å; L722-Q725 CarbonylContact O-C 3.22Å; L722-Q725 PolarHBondContact O-N 3.04Å; L722-M726 HydrophobicContact CB-CG 4.21Å; L722-M726 PolarHBondContact O-N 3.22Å; L722-V729 HydrophobicContact CD2-CB 4.2Å; L722-E730 HydrophobicContact CD1-CG 4.36Å; L722-E730 VanDerWaalsContact CD2-CD 3.47Å; L722-E730 HydrophobicContact CD2-CG 3.69Å
723	K	98.7	Very high	98.2	Very high	43 Å²	43	32.9 Å²	32.9	19%	0.187	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	122.3	-173.6	-174.6	162.8	-179.6	168.9	0	111.4	Q402 D446 V447 W448 G720 Q725 Y799	Q402-K723 VanDerWaalsContact NE2-NZ 3.14Å; D446-K723 PolarHBondContact O-NZ 3.06Å; V447-K723 PolarHBondContact O-NZ 2.92Å; W448-K723 HydrophobicContact CE3-CB 4.42Å; W448-K723 HydrophobicContact CE3-CD 4.46Å; W448-K723 HydrophobicContact CZ3-CB 3.71Å; W448-K723 HydrophobicContact CZ3-CG 4.22Å; G720-K723 WeakPolarHBondContact O-CB 3.39Å; G720-K723 PolarHBondContact O-N 3.04Å; K723-Q725 PolarHBondContact O-N 3.21Å; K723-Q725 VanDerWaalsContact O-N 3.15Å; K723-Y799 WeakPolarHBondContact CA-O 3.46Å
724	N	98.7	Very high	98.2	Very high	43 Å²	43	31.7 Å²	31.7	23%	0.23	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	6.2	-178.7	-63.2	15.1	0	0	0	115	L722 Y799 N806 G809	L722-N724 PolarHBondContact O-N 2.86Å; L722-N724 VanDerWaalsContact O-N 3.15Å; N724-Y799 PolarHBondContact N-O 2.96Å; N724-N806 VanDerWaalsContact CA-ND2 3.31Å; N724-N806 WeakPolarHBondContact CA-ND2 3.32Å; N724-N806 VanDerWaalsContact CB-ND2 3.31Å; N724-N806 WeakPolarHBondContact CB-ND2 3.42Å; N724-N806 PolarHBondContact O-ND2 3.47Å; N724-G809 WeakPolarHBondContact O-CA 3.35Å
725	Q	98.4	Very high	98.3	Very high	79 Å²	79	30.2 Å²	30.2	37%	0.369	15%	0.15	S	C	.	.			trans	-139.7	28.3	-171.2	67.6	-173.3	-11.8	0	0	116.1	A721 L722 K723 G727 Q728 V729	A721-Q725 PolarHBondContact O-NE2 2.81Å; L722-Q725 CarbonylContact O-C 3.22Å; L722-Q725 PolarHBondContact O-N 3.04Å; K723-Q725 PolarHBondContact O-N 3.21Å; K723-Q725 VanDerWaalsContact O-N 3.15Å; Q725-G727 PolarHBondContact O-N 3.12Å; Q725-Q728 WeakPolarHBondContact O-CB 3.31Å; Q725-Q728 PolarHBondContact O-N 2.96Å; Q725-Q728 VanDerWaalsContact O-N 3.14Å; Q725-V729 HydrophobicContact CG-CG2 3.94Å
726	M	98.7	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	133.3	175.8	-72.9	-175	143.2	0	0	113.5	P676 L722 Y760 W788 Y795 Y799 M800	P676-M726 HydrophobicContact CG-CE 3.67Å; L722-M726 HydrophobicContact CB-CG 4.21Å; L722-M726 PolarHBondContact O-N 3.22Å; M726-Y760 VanDerWaalsContact CB-OH 3.28Å; M726-Y760 WeakPolarHBondContact CB-OH 3.25Å; M726-Y760 HydrophobicContact CE-CE2 3.62Å; M726-Y760 HydrophobicContact CG-CE2 4.42Å; M726-Y760 VanDerWaalsContact CG-OH 3.26Å; M726-Y760 WeakPolarHBondContact CG-OH 3.44Å; M726-Y760 HydrophobicContact SD-CE2 3.85Å; M726-W788 HydrophobicContact CB-CZ2 4.33Å; M726-W788 HydrophobicContact SD-CH2 4Å; M726-W788 HydrophobicContact SD-CZ2 4.11Å; M726-W788 HydrophobicContact SD-CZ3 4.47Å; M726-Y795 HydrophobicContact CE-CE1 3.91Å; M726-Y795 HydrophobicContact SD-CE1 4.19Å; M726-Y799 HydrophobicContact CE-CD1 4.38Å; M726-Y799 HydrophobicContact CE-CD2 3.59Å; M726-Y799 HydrophobicContact CE-CE2 4.39Å; M726-Y799 HydrophobicContact CE-CG 3.58Å; M726-Y799 HydrophobicContact SD-CD2 4.47Å; M726-Y799 HydrophobicContact SD-CG 4.47Å; M726-M800 HydrophobicContact CB-CE 4.38Å; M726-M800 HydrophobicContact CB-CG 4.42Å; M726-M800 HydrophobicContact CB-SD 3.62Å; M726-M800 HydrophobicContact CG-CG 4.12Å; M726-M800 HydrophobicContact CG-SD 3.62Å; M726-M800 PolarHBondContact N-SD 2.79Å; M726-M800 VanDerWaalsContact N-SD 3.4Å; M726-M800 HydrophobicContact SD-CG 3.88Å; M726-M800 HydrophobicContact SD-SD 4.2Å
727	G	97.9	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-11.1	-177.2	0	0	0	0	0	115.8	Q725 E730 F763 M767	Q725-G727 PolarHBondContact O-N 3.12Å; G727-E730 WeakPolarHBondContact CA-OE1 3.46Å; G727-E730 VanDerWaalsContact CA-OE2 3.23Å; G727-E730 WeakPolarHBondContact CA-OE2 3.49Å; G727-E730 VanDerWaalsContact N-CD 3.29Å; G727-E730 PolarHBondContact N-OE1 3.37Å; G727-E730 PolarHBondContact N-OE2 2.9Å; G727-F763 VanDerWaalsContact CA-CZ 3.46Å; G727-M767 WeakPolarHBondContact O-CE 3.37Å
728	Q	97.1	Very high	98.3	Very high	81 Å²	81	22.9 Å²	22.9	38%	0.379	12%	0.117	S	C	.	.	S	Bend	trans	-93.6	-25.8	-173.6	-59.3	-179.8	68.7	0	0	113.4	Q725 E730 A812	Q725-Q728 WeakPolarHBondContact O-CB 3.31Å; Q725-Q728 PolarHBondContact O-N 2.96Å; Q725-Q728 VanDerWaalsContact O-N 3.14Å; Q728-E730 PolarHBondContact N-OE2 2.76Å; Q728-E730 VanDerWaalsContact N-OE2 3.17Å; Q728-A812 HydrophobicContact CG-CB 4.35Å
729	V	97.3	Very high	98.3	Very high	14 Å²	14	26.6 Å²	26.6	9%	0.085	14%	0.135	C	C	.	.	S	Bend	trans	-103.5	-39.9	-170.9	-177.9	0	0	0	0	111.2	R709 L722 Q725 I731 E732	R709-V729 HydrophobicContact CB-CG1 4.46Å; R709-V729 VanDerWaalsContact CZ-CG1 3.4Å; L722-V729 HydrophobicContact CD2-CB 4.2Å; Q725-V729 HydrophobicContact CG-CG2 3.94Å; V729-I731 VanDerWaalsContact C-N 3.35Å; V729-I731 PolarHBondContact O-N 2.69Å; V729-E732 PolarHBondContact O-N 2.81Å; V729-E732 VanDerWaalsContact O-N 3.13Å
730	E	98.6	Very high	98.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-167.6	-56.1	94.1	124.8	0	0	112	L722 G727 Q728 E732 D733 Q734 Y760 L764	L722-E730 HydrophobicContact CD1-CG 4.36Å; L722-E730 VanDerWaalsContact CD2-CD 3.47Å; L722-E730 HydrophobicContact CD2-CG 3.69Å; G727-E730 WeakPolarHBondContact CA-OE1 3.46Å; G727-E730 VanDerWaalsContact CA-OE2 3.23Å; G727-E730 WeakPolarHBondContact CA-OE2 3.49Å; G727-E730 VanDerWaalsContact N-CD 3.29Å; G727-E730 PolarHBondContact N-OE1 3.37Å; G727-E730 PolarHBondContact N-OE2 2.9Å; Q728-E730 PolarHBondContact N-OE2 2.76Å; Q728-E730 VanDerWaalsContact N-OE2 3.17Å; E730-E732 PolarHBondContact O-N 2.7Å; E730-D733 PolarHBondContact O-N 3.35Å; E730-Q734 WeakPolarHBondContact O-CG 3.31Å; E730-Q734 PolarHBondContact O-N 3.23Å; E730-Y760 WeakPolarHBondContact OE1-CE1 3.44Å; E730-Y760 PolarHBondContact OE1-OH 2.91Å; E730-L764 HydrophobicContact CB-CD1 3.66Å; E730-L764 HydrophobicContact CB-CD2 3.88Å; E730-L764 HydrophobicContact CB-CG 4.45Å; E730-L764 HydrophobicContact CG-CD1 3.99Å; E730-L764 HydrophobicContact CG-CD2 4.11Å
731	I	98.5	Very high	98.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-24	-177.1	-56.5	-56	0	0	0	111.8	V729 V735 I755 L764 M767 K772 F776	V729-I731 VanDerWaalsContact C-N 3.35Å; V729-I731 PolarHBondContact O-N 2.69Å; I731-V735 VanDerWaalsContact O-CG2 3.29Å; I731-V735 WeakPolarHBondContact O-CG2 3.35Å; I731-V735 PolarHBondContact O-N 3.16Å; I731-I755 HydrophobicContact CD1-CD1 4.43Å; I731-L764 HydrophobicContact CD1-CB 4.04Å; I731-L764 HydrophobicContact CD1-CD2 4.11Å; I731-L764 WeakPolarHBondContact CD1-O 3.49Å; I731-M767 HydrophobicContact CD1-CB 4.24Å; I731-M767 HydrophobicContact CG1-CB 3.97Å; I731-K772 HydrophobicContact CG2-CG 3.59Å; I731-F776 HydrophobicContact CG2-CE2 4.22Å
732	E	98.1	Very high	98.2	Very high	92 Å²	92	28.7 Å²	28.7	43%	0.43	14%	0.137	S	C	.	.	H	α-helix	trans	-75	-47.6	177.9	-47.7	-138.8	111.5	0	0	110.2	V729 E730 Q734 V735 E736 K772	V729-E732 PolarHBondContact O-N 2.81Å; V729-E732 VanDerWaalsContact O-N 3.13Å; E730-E732 PolarHBondContact O-N 2.7Å; E732-Q734 VanDerWaalsContact C-N 3.32Å; E732-Q734 PolarHBondContact O-N 3.15Å; E732-V735 PolarHBondContact O-N 3.33Å; E732-E736 PolarHBondContact O-N 3.49Å; E732-K772 IonicContact OE1-NZ 4Å; E732-K772 PolarHBondContact OE1-NZ 2.84Å
733	D	98.5	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-41.1	174.2	-73.2	4.4	0	0	0	112.3	L650 R709 E730 V735 G737	L650-D733 HydrophobicContact CD1-CB 3.66Å; R709-D733 VanDerWaalsContact CB-OD2 3.28Å; R709-D733 WeakPolarHBondContact CB-OD2 3.29Å; R709-D733 VanDerWaalsContact CG-OD2 3.25Å; R709-D733 WeakPolarHBondContact CG-OD2 3.09Å; R709-D733 IonicContact CZ-OD1 2.86Å; R709-D733 VanDerWaalsContact CZ-OD1 3.25Å; R709-D733 IonicContact CZ-OD2 2.7Å; R709-D733 PolarHBondContact N-OD2 2.91Å; R709-D733 IonicContact NE-OD1 3.87Å; R709-D733 PolarHBondContact NE-OD1 3.49Å; R709-D733 IonicContact NE-OD2 3.66Å; R709-D733 PolarHBondContact NE-OD2 3.04Å; R709-D733 IonicContact NH2-OD1 3.7Å; R709-D733 PolarHBondContact NH2-OD1 2.87Å; R709-D733 IonicContact NH2-OD2 3.8Å; E730-D733 PolarHBondContact O-N 3.35Å; D733-V735 VanDerWaalsContact C-N 3.33Å; D733-V735 PolarHBondContact O-N 3.29Å; D733-G737 PolarHBondContact O-N 3.09Å
734	Q	98.8	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-38.5	174.9	-66.9	-54.7	-63.8	0	0	112.2	L670 V672 I706 E730 E732 L738	L670-Q734 HydrophobicContact CD2-CB 3.86Å; L670-Q734 HydrophobicContact CD2-CG 4.19Å; V672-Q734 HydrophobicContact CG2-CG 4.26Å; I706-Q734 WeakPolarHBondContact CD1-O 3.25Å; I706-Q734 PolarHBondContact O-NE2 3.04Å; E730-Q734 WeakPolarHBondContact O-CG 3.31Å; E730-Q734 PolarHBondContact O-N 3.23Å; E732-Q734 VanDerWaalsContact C-N 3.32Å; E732-Q734 PolarHBondContact O-N 3.15Å; Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.28Å; Q734-L738 PolarHBondContact O-N 2.7Å
735	V	98.6	Very high	97.8	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.109	18%	0.183	C	C	.	.	H	α-helix	trans	-77.3	-41.1	-179.1	168.3	0	0	0	0	111.6	I731 E732 D733 G737 L738 H739 K772 V775 F776	I731-V735 VanDerWaalsContact O-CG2 3.29Å; I731-V735 WeakPolarHBondContact O-CG2 3.35Å; I731-V735 PolarHBondContact O-N 3.16Å; E732-V735 PolarHBondContact O-N 3.33Å; D733-V735 VanDerWaalsContact C-N 3.33Å; D733-V735 PolarHBondContact O-N 3.29Å; V735-G737 PolarHBondContact O-N 3.36Å; V735-L738 PolarHBondContact O-N 3.27Å; V735-H739 PolarHBondContact O-CD2 3.23Å; V735-H739 PolarHBondContact O-N 2.69Å; V735-K772 HydrophobicContact CG2-CG 4.27Å; V735-V775 HydrophobicContact CG1-CG2 4.47Å; V735-V775 HydrophobicContact CG2-CG1 4.44Å; V735-V775 HydrophobicContact CG2-CG2 4.5Å; V735-F776 HydrophobicContact CG2-CE2 3.87Å; V735-F776 HydrophobicContact CG2-CZ 3.89Å
736	E	98.4	Very high	97.6	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-48.2	172.7	-74.6	-166.8	-119.8	0	0	111.2	F642 T644 Q645 E732 L738 H739 Y740	F642-E736 HydrophobicContact CE2-CB 4.02Å; T644-E736 VanDerWaalsContact CA-OE2 3.26Å; T644-E736 WeakPolarHBondContact CA-OE2 3.26Å; Q645-E736 PolarHBondContact N-OE2 3.04Å; E732-E736 PolarHBondContact O-N 3.49Å; E736-L738 PolarHBondContact O-N 2.94Å; E736-H739 PolarHBondContact O-N 2.98Å; E736-Y740 PolarHBondContact O-N 3.46Å
737	G	98.2	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-35.9	177.9	0	0	0	0	0	113.4	D733 V735 Y740 V741	D733-G737 PolarHBondContact O-N 3.09Å; V735-G737 PolarHBondContact O-N 3.36Å; G737-Y740 PolarHBondContact O-N 3.15Å; G737-V741 VanDerWaalsContact O-CG2 3.31Å; G737-V741 WeakPolarHBondContact O-CG2 3.35Å; G737-V741 PolarHBondContact O-N 2.94Å
738	L	98.3	Very high	97.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-39.1	175.1	-177.1	66.6	0	0	0	112.1	T668 V704 Q734 V735 E736 V741 A742 L750 V753 V775	T668-L738 HydrophobicContact CG2-CD1 3.99Å; V704-L738 HydrophobicContact CG2-CD1 4.33Å; Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.28Å; Q734-L738 PolarHBondContact O-N 2.7Å; V735-L738 PolarHBondContact O-N 3.27Å; E736-L738 PolarHBondContact O-N 2.94Å; L738-V741 PolarHBondContact O-N 2.88Å; L738-A742 PolarHBondContact O-N 3.01Å; L738-L750 HydrophobicContact CD1-CD2 4.48Å; L738-L750 HydrophobicContact CD2-CD2 4.07Å; L738-L750 HydrophobicContact CG-CD2 3.83Å; L738-V753 HydrophobicContact CD2-CB 4.5Å; L738-V753 HydrophobicContact CD2-CG1 3.72Å; L738-V753 HydrophobicContact CD2-CG2 4.07Å; L738-V775 HydrophobicContact CD2-CG1 3.95Å
739	H	98.2	Very high	97.4	Very high	98 Å²	98	35.2 Å²	35.2	45%	0.454	18%	0.178	S	C	.	.	H	α-helix	trans	-65.1	-43.7	172.9	-80.4	-69.6	0	0	0	112	V735 E736 V741 A742 E743	V735-H739 PolarHBondContact O-CD2 3.23Å; V735-H739 PolarHBondContact O-N 2.69Å; E736-H739 PolarHBondContact O-N 2.98Å; H739-V741 VanDerWaalsContact C-N 3.34Å; H739-V741 PolarHBondContact O-N 2.84Å; H739-A742 WeakPolarHBondContact O-CB 3.34Å; H739-A742 PolarHBondContact O-N 3.32Å; H739-A742 VanDerWaalsContact O-N 3.14Å; H739-E743 PolarHBondContact O-N 2.9Å
740	Y	98.4	Very high	97.4	Very high	68 Å²	68	37.3 Å²	37.3	27%	0.267	19%	0.188	S	C	.	.	H	α-helix	trans	-57.6	-44	173.9	169.6	-88.3	0	0	0	112.3	F640 H641 F642 E736 G737 A742 E743 K744	F640-Y740 HydrophobicContact CB-CE1 4.33Å; F640-Y740 AromaticContact CD2-CD1 3.82Å; F640-Y740 HydrophobicContact CD2-CD1 3.82Å; F640-Y740 AromaticContact CD2-CE1 3.5Å; F640-Y740 HydrophobicContact CD2-CE1 3.5Å; F640-Y740 AromaticContact CE2-CD1 3.93Å; F640-Y740 HydrophobicContact CE2-CD1 3.93Å; F640-Y740 HydrophobicContact CE2-CE1 4.1Å; F640-Y740 HydrophobicContact CG-CE1 4.15Å; H641-Y740 VanDerWaalsContact O-CZ 3.26Å; H641-Y740 PolarHBondContact O-OH 3.18Å; F642-Y740 HydrophobicContact CB-CD1 3.92Å; F642-Y740 HydrophobicContact CB-CD2 3.56Å; F642-Y740 HydrophobicContact CB-CE1 4.12Å; F642-Y740 HydrophobicContact CB-CE2 3.74Å; F642-Y740 HydrophobicContact CB-CG 3.65Å; F642-Y740 HydrophobicContact CD1-CD1 4.48Å; F642-Y740 HydrophobicContact CG-CD1 4.37Å; F642-Y740 HydrophobicContact CG-CD2 4.48Å; F642-Y740 HydrophobicContact CG-CG 4.16Å; E736-Y740 PolarHBondContact O-N 3.46Å; G737-Y740 PolarHBondContact O-N 3.15Å; Y740-A742 VanDerWaalsContact C-N 3.33Å; Y740-A742 PolarHBondContact O-N 3.26Å; Y740-E743 PolarHBondContact O-N 2.86Å; Y740-K744 HydrophobicContact CE1-CD 3.56Å; Y740-K744 HydrophobicContact CE2-CD 4.43Å; Y740-K744 WeakPolarHBondContact O-CB 3.42Å; Y740-K744 PolarHBondContact O-N 3.28Å; Y740-K744 VanDerWaalsContact OH-CD 3.31Å; Y740-K744 WeakPolarHBondContact OH-CD 3.13Å; Y740-K744 PolarHBondContact OH-NZ 2.71Å; Y740-K744 VanDerWaalsContact OH-NZ 3.12Å
741	V	97.8	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-39	176.6	176.7	0	0	0	0	110.9	F640 V654 V704 G737 L738 H739 Y745 I748	F640-V741 HydrophobicContact CD1-CG2 4.34Å; F640-V741 HydrophobicContact CD2-CG2 4.46Å; F640-V741 HydrophobicContact CE1-CG2 3.55Å; F640-V741 HydrophobicContact CE2-CG2 3.7Å; F640-V741 HydrophobicContact CZ-CG2 3.17Å; V654-V741 HydrophobicContact CG2-CG1 4.16Å; V704-V741 HydrophobicContact CG1-CG2 4.36Å; V704-V741 HydrophobicContact CG2-CG1 4.05Å; G737-V741 VanDerWaalsContact O-CG2 3.31Å; G737-V741 WeakPolarHBondContact O-CG2 3.35Å; G737-V741 PolarHBondContact O-N 2.94Å; L738-V741 PolarHBondContact O-N 2.88Å; H739-V741 VanDerWaalsContact C-N 3.34Å; H739-V741 PolarHBondContact O-N 2.84Å; V741-Y745 HydrophobicContact CB-CD2 4.23Å; V741-Y745 HydrophobicContact CG1-CD2 3.64Å; V741-Y745 HydrophobicContact CG1-CE2 4.18Å; V741-Y745 HydrophobicContact CG2-CE2 4.46Å; V741-Y745 WeakPolarHBondContact O-CB 3.5Å; V741-Y745 WeakPolarHBondContact O-CD2 3.33Å; V741-Y745 PolarHBondContact O-N 3.34Å; V741-I748 HydrophobicContact CG1-CD1 3.84Å; V741-I748 HydrophobicContact CG1-CG1 3.82Å
742	A	97.1	Very high	97.4	Very high	17 Å²	17	40.9 Å²	40.9	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-45.1	177.9	0	0	0	0	0	112.9	L738 H739 Y740 G746 I748 L750	L738-A742 PolarHBondContact O-N 3.01Å; H739-A742 WeakPolarHBondContact O-CB 3.34Å; H739-A742 PolarHBondContact O-N 3.32Å; H739-A742 VanDerWaalsContact O-N 3.14Å; Y740-A742 VanDerWaalsContact C-N 3.33Å; Y740-A742 PolarHBondContact O-N 3.26Å; A742-G746 PolarHBondContact O-N 3.16Å; A742-G746 VanDerWaalsContact O-N 3.12Å; A742-I748 HydrophobicContact CB-CB 3.78Å; A742-I748 HydrophobicContact CB-CG1 4.24Å; A742-I748 HydrophobicContact CB-CG2 3.87Å; A742-L750 HydrophobicContact CB-CD1 3.77Å; A742-L750 HydrophobicContact CB-CD2 4.01Å; A742-L750 HydrophobicContact CB-CG 3.86Å
743	E	96.7	Very high	97.4	Very high	174 Å²	174	36.5 Å²	36.5	81%	0.813	19%	0.19	S	C	*	.	H	α-helix	trans	-64.4	-49	176.1	-174.8	179.6	173.5	0	0	111.7	H739 Y740	H739-E743 PolarHBondContact O-N 2.9Å; Y740-E743 PolarHBondContact O-N 2.86Å
744	K	96.6	Very high	97.4	Very high	95 Å²	95	36.5 Å²	36.5	41%	0.413	19%	0.19	S	C	.	.	H	α-helix	trans	-68.9	-39.2	-173.8	178.8	174.4	176.8	-168.1	0	114.3	Y740	Y740-K744 HydrophobicContact CE1-CD 3.56Å; Y740-K744 HydrophobicContact CE2-CD 4.43Å; Y740-K744 WeakPolarHBondContact O-CB 3.42Å; Y740-K744 PolarHBondContact O-N 3.28Å; Y740-K744 VanDerWaalsContact OH-CD 3.31Å; Y740-K744 WeakPolarHBondContact OH-CD 3.13Å; Y740-K744 PolarHBondContact OH-NZ 2.71Å; Y740-K744 VanDerWaalsContact OH-NZ 3.12Å
745	Y	94.6	Very high	97.4	Very high	37 Å²	37	36.5 Å²	36.5	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-107.7	-15.1	-170.3	-62.2	-79.3	0	0	0	114.1	E638 V654 V741 F747	E638-Y745 VanDerWaalsContact OE1-CE1 3.27Å; E638-Y745 WeakPolarHBondContact OE1-CE1 3.11Å; E638-Y745 VanDerWaalsContact OE1-CZ 3.31Å; E638-Y745 PolarHBondContact OE1-OH 2.99Å; V654-Y745 HydrophobicContact CG1-CD2 4.48Å; V654-Y745 HydrophobicContact CG1-CE1 4.23Å; V654-Y745 HydrophobicContact CG1-CE2 3.9Å; V741-Y745 HydrophobicContact CB-CD2 4.23Å; V741-Y745 HydrophobicContact CG1-CD2 3.64Å; V741-Y745 HydrophobicContact CG1-CE2 4.18Å; V741-Y745 HydrophobicContact CG2-CE2 4.46Å; V741-Y745 WeakPolarHBondContact O-CB 3.5Å; V741-Y745 WeakPolarHBondContact O-CD2 3.33Å; V741-Y745 PolarHBondContact O-N 3.34Å; Y745-F747 HydrophobicContact CD1-CE1 4.3Å; Y745-F747 HydrophobicContact CG-CE1 4.19Å; Y745-F747 HydrophobicContact CG-CZ 4.33Å; Y745-F747 WeakPolarHBondContact O-CD1 3.49Å; Y745-F747 PolarHBondContact O-N 3.11Å
746	G	93.8	Very high	97.5	Very high	48 Å²	48	35.8 Å²	35.8	50%	0.495	19%	0.185	S	C	.	.	S	Bend	trans	69	-19.2	171.3	0	0	0	0	0	117.2	A742	A742-G746 PolarHBondContact O-N 3.16Å; A742-G746 VanDerWaalsContact O-N 3.12Å
747	F	95.4	Very high	97.5	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.057	18%	0.176	C	C	.	.			trans	-89.2	2.5	-179.2	63.3	-112.6	0	0	0	114.6	V654 K656 P657 V660 K665 H666 A702 Y745	V654-F747 HydrophobicContact CG2-CE2 4.41Å; V654-F747 HydrophobicContact CG2-CZ 4.09Å; K656-F747 HydrophobicContact CB-CE1 4.26Å; K656-F747 HydrophobicContact CB-CZ 4.05Å; K656-F747 HydrophobicContact CD-CE1 4.22Å; K656-F747 HydrophobicContact CG-CE1 3.99Å; K656-F747 HydrophobicContact CG-CZ 3.81Å; P657-F747 HydrophobicContact CG-CD2 4.32Å; V660-F747 HydrophobicContact CG1-CB 3.91Å; V660-F747 HydrophobicContact CG1-CD1 4.06Å; V660-F747 HydrophobicContact CG1-CG 4.24Å; V660-F747 HydrophobicContact CG2-CD1 4.34Å; K665-F747 CarbonylContact C-O 3.58Å; K665-F747 WeakPolarHBondContact CA-O 3.37Å; H666-F747 PolarHBondContact N-O 3.07Å; A702-F747 HydrophobicContact CB-CD2 4.1Å; A702-F747 HydrophobicContact CB-CE2 3.8Å; Y745-F747 HydrophobicContact CD1-CE1 4.3Å; Y745-F747 HydrophobicContact CG-CE1 4.19Å; Y745-F747 HydrophobicContact CG-CZ 4.33Å; Y745-F747 WeakPolarHBondContact O-CD1 3.49Å; Y745-F747 PolarHBondContact O-N 3.11Å
748	I	97.4	Very high	97.5	Very high	8 Å²	8	36 Å²	36	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.1	-178.9	-59.2	-60.1	0	0	0	110.8	T668 A702 V741 A742 L750	T668-I748 HydrophobicContact CG2-CD1 4.28Å; A702-I748 HydrophobicContact CB-CD1 3.6Å; V741-I748 HydrophobicContact CG1-CD1 3.84Å; V741-I748 HydrophobicContact CG1-CG1 3.82Å; A742-I748 HydrophobicContact CB-CB 3.78Å; A742-I748 HydrophobicContact CB-CG1 4.24Å; A742-I748 HydrophobicContact CB-CG2 3.87Å; I748-L750 HydrophobicContact CG2-CD2 3.81Å; I748-L750 HydrophobicContact CG2-CG 4.1Å
749	D	97.3	Very high	97.5	Very high	10 Å²	10	37 Å²	37	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	92.5	167.4	-164	-15.5	0	0	0	111.4	Q51 K665 H666 S751 R752	Q51-D749 PolarHBondContact NE2-OD2 3.16Å; K665-D749 HydrophobicContact CB-CB 3.92Å; H666-D749 WeakPolarHBondContact O-CB 3.39Å; H666-D749 PolarHBondContact O-N 3.43Å; D749-S751 PolarHBondContact O-N 3Å; D749-S751 VanDerWaalsContact O-N 3.12Å; D749-S751 WeakPolarHBondContact OD1-CB 3.34Å; D749-S751 PolarHBondContact OD1-N 3.35Å; D749-S751 PolarHBondContact OD1-OG 3.5Å; D749-R752 HydrophobicContact CB-CB 4.47Å; D749-R752 CarbonylContact O-C 3.53Å; D749-R752 PolarHBondContact O-N 3.37Å; D749-R752 IonicContact OD2-CZ 3.51Å; D749-R752 VanDerWaalsContact OD2-CZ 3.22Å; D749-R752 IonicContact OD2-NE 2.87Å; D749-R752 PolarHBondContact OD2-NE 3Å; D749-R752 IonicContact OD2-NH2 2.75Å; D749-R752 PolarHBondContact OD2-NH2 2.78Å
750	L	97.3	Very high	97.5	Very high	58 Å²	58	32.5 Å²	32.5	30%	0.304	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-10.9	175.1	-67.2	178.1	0	0	0	113.5	L738 A742 I748 R752 V753	L738-L750 HydrophobicContact CD1-CD2 4.48Å; L738-L750 HydrophobicContact CD2-CD2 4.07Å; L738-L750 HydrophobicContact CG-CD2 3.83Å; A742-L750 HydrophobicContact CB-CD1 3.77Å; A742-L750 HydrophobicContact CB-CD2 4.01Å; A742-L750 HydrophobicContact CB-CG 3.86Å; I748-L750 HydrophobicContact CG2-CD2 3.81Å; I748-L750 HydrophobicContact CG2-CG 4.1Å; L750-R752 VanDerWaalsContact C-N 3.33Å; L750-V753 HydrophobicContact CD2-CG2 4.46Å
751	S	97.4	Very high	97.5	Very high	60 Å²	60	29.3 Å²	29.3	42%	0.42	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-9.7	171.1	93.9	0	0	0	0	113	Q51 D749 K777	Q51-S751 PolarHBondContact NE2-OG 2.8Å; D749-S751 PolarHBondContact O-N 3Å; D749-S751 VanDerWaalsContact O-N 3.12Å; D749-S751 WeakPolarHBondContact OD1-CB 3.34Å; D749-S751 PolarHBondContact OD1-N 3.35Å; D749-S751 PolarHBondContact OD1-OG 3.5Å; S751-K777 WeakPolarHBondContact O-CE 3.35Å; S751-K777 WeakPolarHBondContact O-CG 3.34Å
752	R	98.2	Very high	97.6	Very high	18 Å²	18	29.3 Å²	29.3	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	71.5	-177.4	-71.1	-176.7	-67.6	152.1	3.7	111.1	F52 K665 P667 T668 D749 L750 L892	F52-R752 VanDerWaalsContact O-CZ 3.31Å; F52-R752 PolarHBondContact O-NH1 2.93Å; F52-R752 PolarHBondContact O-NH2 3.28Å; K665-R752 PolarHBondContact O-NH2 2.89Å; P667-R752 WeakPolarHBondContact CA-O 3.39Å; P667-R752 HydrophobicContact CB-CB 4.07Å; T668-R752 PolarHBondContact N-O 3.13Å; D749-R752 HydrophobicContact CB-CB 4.47Å; D749-R752 CarbonylContact O-C 3.53Å; D749-R752 PolarHBondContact O-N 3.37Å; D749-R752 IonicContact OD2-CZ 3.51Å; D749-R752 VanDerWaalsContact OD2-CZ 3.22Å; D749-R752 IonicContact OD2-NE 2.87Å; D749-R752 PolarHBondContact OD2-NE 3Å; D749-R752 IonicContact OD2-NH2 2.75Å; D749-R752 PolarHBondContact OD2-NH2 2.78Å; L750-R752 VanDerWaalsContact C-N 3.33Å; R752-L892 HydrophobicContact CB-CD1 4.2Å; R752-L892 HydrophobicContact CB-CG 4.29Å; R752-L892 WeakPolarHBondContact CD-O 3.26Å; R752-L892 WeakPolarHBondContact CG-O 3.43Å
753	V	98.9	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	178.5	-170.3	0	0	0	0	110.8	T668 L738 L750 F776 K777	T668-V753 CarbonylContact O-C 3.58Å; T668-V753 WeakPolarHBondContact O-CA 3.45Å; L738-V753 HydrophobicContact CD2-CB 4.5Å; L738-V753 HydrophobicContact CD2-CG1 3.72Å; L738-V753 HydrophobicContact CD2-CG2 4.07Å; L750-V753 HydrophobicContact CD2-CG2 4.46Å; V753-F776 HydrophobicContact CB-CD1 4.49Å; V753-F776 HydrophobicContact CG1-CD1 3.79Å; V753-F776 HydrophobicContact CG1-CE1 3.93Å; V753-F776 CarbonylContact O-C 3.43Å; V753-K777 PolarHBondContact O-N 2.74Å
754	A	98.9	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.1	165.9	0	0	0	0	0	110.7	T668 V669 L670 I778 L888 L892	T668-A754 PolarHBondContact O-N 2.76Å; V669-A754 HydrophobicContact CG2-CB 4.49Å; L670-A754 PolarHBondContact N-O 3.47Å; A754-I778 WeakPolarHBondContact CA-O 3.43Å; A754-I778 HydrophobicContact CB-CD1 3.98Å; A754-I778 HydrophobicContact CB-CG1 3.52Å; A754-L888 HydrophobicContact CB-CD2 3.86Å; A754-L892 HydrophobicContact CB-CD1 4.18Å; A754-L892 HydrophobicContact CB-CD2 3.8Å
755	I	98.9	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.9	166	-173.9	165.6	0	0	0	110	L670 V672 I731 F776 I778 A779 I780	L670-I755 HydrophobicContact CD2-CD1 4.06Å; L670-I755 HydrophobicContact CD2-CG1 4.25Å; V672-I755 HydrophobicContact CG1-CD1 4.1Å; V672-I755 HydrophobicContact CG1-CG1 3.92Å; I731-I755 HydrophobicContact CD1-CD1 4.43Å; I755-F776 HydrophobicContact CB-CD1 3.66Å; I755-F776 HydrophobicContact CB-CE1 3.98Å; I755-F776 HydrophobicContact CB-CG 4.18Å; I755-F776 HydrophobicContact CD1-CE1 4.27Å; I755-F776 HydrophobicContact CD1-CZ 4.24Å; I755-F776 HydrophobicContact CG2-CB 4.1Å; I755-F776 HydrophobicContact CG2-CD1 4Å; I755-F776 HydrophobicContact CG2-CG 4Å; I755-I778 PolarHBondContact N-O 2.78Å; I755-A779 HydrophobicContact CG2-CB 3.67Å; I755-A779 WeakPolarHBondContact O-CA 3.38Å; I755-I780 PolarHBondContact O-N 3.29Å
756	H	98.9	Very high	98.1	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.014	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.9	-179.1	171.8	46.3	0	0	0	111.9	L670 F671 V672 W758 S765 I780 Y880	L670-H756 PolarHBondContact O-N 3.05Å; F671-H756 CarbonylContact C-O 3.53Å; F671-H756 VanDerWaalsContact CA-O 3.31Å; F671-H756 WeakPolarHBondContact CA-O 3.35Å; F671-H756 AromaticContact CD2-CD2 3.81Å; V672-H756 PolarHBondContact N-O 3.01Å; H756-W758 AromaticContact CE1-CD1 3.61Å; H756-W758 AromaticContact CE1-NE1 3.51Å; H756-W758 AromaticContact NE2-CD1 3.87Å; H756-W758 AromaticContact NE2-NE1 3.85Å; H756-S765 WeakPolarHBondContact CA-OG 2.97Å; H756-I780 HydrophobicContact CB-CB 4.1Å; H756-I780 PolarHBondContact ND1-O 2.87Å; H756-Y880 PolarHBondContact NE2-OH 2.95Å
757	G	98.6	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	176.9	170.6	0	0	0	0	0	112.4	V672 G761 G762 S765 I780 G782	V672-G757 WeakPolarHBondContact O-CA 3.43Å; G757-G761 VanDerWaalsContact C-C 3.5Å; G757-G761 WeakPolarHBondContact CA-O 3.44Å; G757-G762 WeakPolarHBondContact O-CA 3.38Å; G757-S765 PolarHBondContact N-OG 2.8Å; G757-I780 PolarHBondContact N-O 2.75Å; G757-G782 PolarHBondContact O-N 3.39Å
758	W	98.7	Very high	98.5	Very high	48 Å²	48	11.3 Å²	11.3	18%	0.182	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.7	176.1	-80.4	84	0	0	0	110.7	H756 Y760 G761 G782 A783 L832 Y864 I871 Y880	H756-W758 AromaticContact CE1-CD1 3.61Å; H756-W758 AromaticContact CE1-NE1 3.51Å; H756-W758 AromaticContact NE2-CD1 3.87Å; H756-W758 AromaticContact NE2-NE1 3.85Å; W758-Y760 PolarHBondContact O-N 2.85Å; W758-G761 WeakPolarHBondContact O-CA 3.45Å; W758-G761 PolarHBondContact O-N 2.73Å; W758-G782 CarbonylContact C-O 3.46Å; W758-G782 VanDerWaalsContact CA-O 3.25Å; W758-G782 WeakPolarHBondContact CA-O 3.16Å; W758-A783 HydrophobicContact CE3-CB 3.99Å; W758-A783 HydrophobicContact CZ3-CB 4.13Å; W758-L832 HydrophobicContact CH2-CB 3.96Å; W758-L832 HydrophobicContact CZ2-CB 4.13Å; W758-L832 HydrophobicContact CZ2-CD1 3.9Å; W758-Y864 HydrophobicContact CH2-CE2 4.36Å; W758-I871 HydrophobicContact CH2-CD1 3.82Å; W758-I871 HydrophobicContact CZ2-CD1 3.93Å; W758-Y880 AromaticContact CE2-CE2 3.9Å; W758-Y880 AromaticContact CZ2-CD2 3.8Å; W758-Y880 HydrophobicContact CZ2-CD2 3.8Å; W758-Y880 AromaticContact CZ2-CE2 3.64Å; W758-Y880 HydrophobicContact CZ2-CE2 3.64Å; W758-Y880 HydrophobicContact CZ2-CG 4.39Å; W758-Y880 AromaticContact NE1-CE2 3.53Å; W758-Y880 AromaticContact NE1-CZ 3.33Å; W758-Y880 VanDerWaalsContact NE1-CZ 3.33Å; W758-Y880 PolarHBondContact NE1-OH 2.99Å
759	S	98.4	Very high	98.6	Very high	22 Å²	22	11 Å²	11	15%	0.154	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-124.2	-176.9	-171.5	0	0	0	0	110.2	G761 G762 F763 G782 A783 H869	S759-G761 PolarHBondContact O-N 2.84Å; S759-G762 WeakPolarHBondContact O-CA 3.15Å; S759-G762 PolarHBondContact O-N 2.99Å; S759-F763 PolarHBondContact O-N 3.43Å; S759-F763 VanDerWaalsContact O-N 3.08Å; S759-G782 PolarHBondContact N-O 3.12Å; S759-A783 WeakPolarHBondContact CA-O 3.28Å; S759-H869 VanDerWaalsContact CB-NE2 3.26Å; S759-H869 WeakPolarHBondContact CB-NE2 3.44Å; S759-H869 PolarHBondContact OG-NE2 3.18Å
760	Y	98.9	Very high	98.6	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-52.3	-36.1	170.8	-155.8	-81.4	0	0	0	113.1	Y673 G675 M726 E730 W758 G762 F763 L764 W788 Y795	Y673-Y760 WeakPolarHBondContact O-CD1 3.43Å; G675-Y760 VanDerWaalsContact CA-CE1 3.5Å; G675-Y760 VanDerWaalsContact N-CD1 3.35Å; M726-Y760 VanDerWaalsContact CB-OH 3.28Å; M726-Y760 WeakPolarHBondContact CB-OH 3.25Å; M726-Y760 HydrophobicContact CE-CE2 3.62Å; M726-Y760 HydrophobicContact CG-CE2 4.42Å; M726-Y760 VanDerWaalsContact CG-OH 3.26Å; M726-Y760 WeakPolarHBondContact CG-OH 3.44Å; M726-Y760 HydrophobicContact SD-CE2 3.85Å; E730-Y760 WeakPolarHBondContact OE1-CE1 3.44Å; E730-Y760 PolarHBondContact OE1-OH 2.91Å; W758-Y760 PolarHBondContact O-N 2.85Å; Y760-G762 VanDerWaalsContact C-N 3.28Å; Y760-G762 PolarHBondContact O-N 3.27Å; Y760-F763 HydrophobicContact CD1-CD1 4.05Å; Y760-F763 HydrophobicContact CD2-CD1 4.25Å; Y760-F763 AromaticContact CE1-CD1 3.89Å; Y760-F763 HydrophobicContact CE1-CD1 3.89Å; Y760-F763 AromaticContact CE1-CE1 3.99Å; Y760-F763 HydrophobicContact CE1-CE1 3.99Å; Y760-F763 HydrophobicContact CE2-CD1 4.09Å; Y760-F763 HydrophobicContact CE2-CE1 4.14Å; Y760-F763 HydrophobicContact CG-CD1 4.25Å; Y760-F763 AromaticContact CZ-CD1 3.92Å; Y760-F763 AromaticContact CZ-CE1 3.74Å; Y760-F763 WeakPolarHBondContact O-CB 3.38Å; Y760-F763 PolarHBondContact O-N 3.21Å; Y760-L764 HydrophobicContact CD1-CD1 4Å; Y760-L764 HydrophobicContact CD1-CD2 4.49Å; Y760-L764 HydrophobicContact CD1-CG 3.84Å; Y760-L764 HydrophobicContact CE1-CD1 3.9Å; Y760-L764 HydrophobicContact CE1-CD2 3.95Å; Y760-L764 HydrophobicContact CE1-CG 3.77Å; Y760-L764 PolarHBondContact O-N 2.95Å; Y760-W788 HydrophobicContact CD2-CH2 4.06Å; Y760-W788 AromaticContact CE2-CH2 3.8Å; Y760-W788 HydrophobicContact CE2-CH2 3.8Å; Y760-W788 HydrophobicContact CE2-CZ2 4.03Å; Y760-Y795 VanDerWaalsContact CD2-OH 3.25Å; Y760-Y795 WeakPolarHBondContact CD2-OH 3.41Å
761	G	98.8	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-26.2	173.9	0	0	0	0	0	113.8	V672 Y673 G757 W758 S759 S765	V672-G761 WeakPolarHBondContact CG1-O 3.15Å; V672-G761 WeakPolarHBondContact O-CA 3.16Å; Y673-G761 WeakPolarHBondContact O-CA 3.49Å; Y673-G761 PolarHBondContact O-N 2.98Å; G757-G761 VanDerWaalsContact C-C 3.5Å; G757-G761 WeakPolarHBondContact CA-O 3.44Å; W758-G761 WeakPolarHBondContact O-CA 3.45Å; W758-G761 PolarHBondContact O-N 2.73Å; S759-G761 PolarHBondContact O-N 2.84Å; G761-S765 WeakPolarHBondContact O-CB 3.43Å; G761-S765 PolarHBondContact O-N 3.33Å; G761-S765 PolarHBondContact O-OG 3.24Å
762	G	98.8	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-72.1	-41.8	171	0	0	0	0	0	111.3	G757 S759 Y760 S765 L766 A781	G757-G762 WeakPolarHBondContact O-CA 3.38Å; S759-G762 WeakPolarHBondContact O-CA 3.15Å; S759-G762 PolarHBondContact O-N 2.99Å; Y760-G762 VanDerWaalsContact C-N 3.28Å; Y760-G762 PolarHBondContact O-N 3.27Å; G762-S765 WeakPolarHBondContact O-CB 3.28Å; G762-S765 PolarHBondContact O-N 3.08Å; G762-L766 PolarHBondContact O-N 3.19Å; G762-A781 WeakPolarHBondContact O-CB 3.3Å
763	F	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.8	-50.3	170.2	157.3	-117.3	0	0	0	111.6	G727 S759 Y760 S765 L766 M767 W788 G813 V815	G727-F763 VanDerWaalsContact CA-CZ 3.46Å; S759-F763 PolarHBondContact O-N 3.43Å; S759-F763 VanDerWaalsContact O-N 3.08Å; Y760-F763 HydrophobicContact CD1-CD1 4.05Å; Y760-F763 HydrophobicContact CD2-CD1 4.25Å; Y760-F763 AromaticContact CE1-CD1 3.89Å; Y760-F763 HydrophobicContact CE1-CD1 3.89Å; Y760-F763 AromaticContact CE1-CE1 3.99Å; Y760-F763 HydrophobicContact CE1-CE1 3.99Å; Y760-F763 HydrophobicContact CE2-CD1 4.09Å; Y760-F763 HydrophobicContact CE2-CE1 4.14Å; Y760-F763 HydrophobicContact CG-CD1 4.25Å; Y760-F763 AromaticContact CZ-CD1 3.92Å; Y760-F763 AromaticContact CZ-CE1 3.74Å; Y760-F763 WeakPolarHBondContact O-CB 3.38Å; Y760-F763 PolarHBondContact O-N 3.21Å; F763-S765 VanDerWaalsContact C-N 3.28Å; F763-S765 PolarHBondContact O-N 3.31Å; F763-L766 WeakPolarHBondContact O-CB 3.31Å; F763-L766 PolarHBondContact O-N 3.38Å; F763-M767 HydrophobicContact CD2-CG 3.97Å; F763-M767 HydrophobicContact CE2-CG 3.4Å; F763-M767 HydrophobicContact CE2-SD 3.96Å; F763-M767 HydrophobicContact CZ-CG 3.79Å; F763-M767 HydrophobicContact CZ-SD 4.49Å; F763-M767 PolarHBondContact O-N 2.71Å; F763-W788 AromaticContact CD1-CZ2 3.98Å; F763-W788 HydrophobicContact CD1-CZ2 3.98Å; F763-W788 AromaticContact CE1-CZ2 3.77Å; F763-W788 HydrophobicContact CE1-CZ2 3.77Å; F763-W788 HydrophobicContact CG-CZ2 4.43Å; F763-W788 HydrophobicContact CZ-CZ2 4.05Å; F763-W788 AromaticContact CZ-NE1 3.91Å; F763-G813 WeakPolarHBondContact CE2-O 2.98Å; F763-V815 HydrophobicContact CD2-CG1 4.21Å; F763-V815 HydrophobicContact CE2-CG1 4.16Å
764	L	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-28.6	175.6	-68.5	-170.2	0	0	0	113.5	V672 Y673 E730 I731 Y760 L766 M767 G768	V672-L764 HydrophobicContact CG1-CB 4.26Å; V672-L764 HydrophobicContact CG2-CB 4.4Å; V672-L764 HydrophobicContact CG2-CD1 3.93Å; Y673-L764 WeakPolarHBondContact O-CD1 3.39Å; E730-L764 HydrophobicContact CB-CD1 3.66Å; E730-L764 HydrophobicContact CB-CD2 3.88Å; E730-L764 HydrophobicContact CB-CG 4.45Å; E730-L764 HydrophobicContact CG-CD1 3.99Å; E730-L764 HydrophobicContact CG-CD2 4.11Å; I731-L764 HydrophobicContact CD1-CB 4.04Å; I731-L764 HydrophobicContact CD1-CD2 4.11Å; I731-L764 WeakPolarHBondContact CD1-O 3.49Å; Y760-L764 HydrophobicContact CD1-CD1 4Å; Y760-L764 HydrophobicContact CD1-CD2 4.49Å; Y760-L764 HydrophobicContact CD1-CG 3.84Å; Y760-L764 HydrophobicContact CE1-CD1 3.9Å; Y760-L764 HydrophobicContact CE1-CD2 3.95Å; Y760-L764 HydrophobicContact CE1-CG 3.77Å; Y760-L764 PolarHBondContact O-N 2.95Å; L764-L766 VanDerWaalsContact C-N 3.29Å; L764-L766 PolarHBondContact O-N 3.4Å; L764-M767 PolarHBondContact O-N 2.78Å; L764-G768 PolarHBondContact O-N 3.22Å
765	S	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-36.6	171.5	-60.7	0	0	0	0	111.9	H756 G757 G761 G762 F763 L769 A779	H756-S765 WeakPolarHBondContact CA-OG 2.97Å; G757-S765 PolarHBondContact N-OG 2.8Å; G761-S765 WeakPolarHBondContact O-CB 3.43Å; G761-S765 PolarHBondContact O-N 3.33Å; G761-S765 PolarHBondContact O-OG 3.24Å; G762-S765 WeakPolarHBondContact O-CB 3.28Å; G762-S765 PolarHBondContact O-N 3.08Å; F763-S765 VanDerWaalsContact C-N 3.28Å; F763-S765 PolarHBondContact O-N 3.31Å; S765-L769 PolarHBondContact O-N 3.17Å; S765-A779 VanDerWaalsContact O-CB 3.23Å; S765-A779 WeakPolarHBondContact O-CB 3.42Å
766	L	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-73	-44.9	173.8	-63.3	173.5	0	0	0	111.8	G762 F763 L764 G768 L769 I770 A781 P784 T786 V815 L829 L848	G762-L766 PolarHBondContact O-N 3.19Å; F763-L766 WeakPolarHBondContact O-CB 3.31Å; F763-L766 PolarHBondContact O-N 3.38Å; L764-L766 VanDerWaalsContact C-N 3.29Å; L764-L766 PolarHBondContact O-N 3.4Å; L766-G768 VanDerWaalsContact C-N 3.31Å; L766-G768 PolarHBondContact O-N 2.59Å; L766-L769 PolarHBondContact O-N 2.98Å; L766-I770 WeakPolarHBondContact O-CG1 3.46Å; L766-I770 PolarHBondContact O-N 2.97Å; L766-A781 HydrophobicContact CD1-CB 4.26Å; L766-A781 HydrophobicContact CD2-CB 3.88Å; L766-A781 HydrophobicContact CG-CB 3.75Å; L766-P784 HydrophobicContact CD1-CB 3.75Å; L766-P784 HydrophobicContact CD1-CG 3.97Å; L766-T786 HydrophobicContact CD1-CG2 4.2Å; L766-V815 HydrophobicContact CB-CB 4.3Å; L766-V815 HydrophobicContact CB-CG1 3.95Å; L766-V815 HydrophobicContact CB-CG2 4.26Å; L766-V815 HydrophobicContact CD1-CG2 3.79Å; L766-L829 HydrophobicContact CD2-CD1 3.53Å; L766-L829 HydrophobicContact CD2-CD2 4.48Å; L766-L848 HydrophobicContact CD1-CD2 3.7Å; L766-L848 HydrophobicContact CD2-CD2 4.4Å
767	M	98.8	Very high	98.5	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.034	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-39.3	175.6	-69.8	-61.9	-78	0	0	112	G727 I731 F763 L764 L769 I770 C771 V815	G727-M767 WeakPolarHBondContact O-CE 3.37Å; I731-M767 HydrophobicContact CD1-CB 4.24Å; I731-M767 HydrophobicContact CG1-CB 3.97Å; F763-M767 HydrophobicContact CD2-CG 3.97Å; F763-M767 HydrophobicContact CE2-CG 3.4Å; F763-M767 HydrophobicContact CE2-SD 3.96Å; F763-M767 HydrophobicContact CZ-CG 3.79Å; F763-M767 HydrophobicContact CZ-SD 4.49Å; F763-M767 PolarHBondContact O-N 2.71Å; L764-M767 PolarHBondContact O-N 2.78Å; M767-L769 PolarHBondContact O-N 2.94Å; M767-I770 PolarHBondContact O-N 3.12Å; M767-C771 VanDerWaalsContact O-CB 3.28Å; M767-C771 WeakPolarHBondContact O-CB 3.13Å; M767-C771 PolarHBondContact O-N 2.79Å; M767-C771 PolarHBondContact O-SG 3.04Å; M767-V815 HydrophobicContact CG-CG1 3.8Å; M767-V815 HydrophobicContact SD-CG1 3.29Å; M767-V815 WeakPolarHBondContact SD-CG1 3.28Å
768	G	98.7	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-46	174.3	0	0	0	0	0	112.6	L764 L766 K772 F776	L764-G768 PolarHBondContact O-N 3.22Å; L766-G768 VanDerWaalsContact C-N 3.31Å; L766-G768 PolarHBondContact O-N 2.59Å; G768-K772 CarbonylContact O-C 3.59Å; G768-K772 WeakPolarHBondContact O-CA 3.46Å; G768-K772 PolarHBondContact O-N 3.21Å; G768-F776 WeakPolarHBondContact O-CD2 3.18Å
769	L	98.6	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.3	-26.1	178.9	-164.9	63.6	0	0	0	113.3	S765 L766 M767 P773 F776 A779 L822 P823 R828 L829	S765-L769 PolarHBondContact O-N 3.17Å; L766-L769 PolarHBondContact O-N 2.98Å; M767-L769 PolarHBondContact O-N 2.94Å; L769-P773 WeakPolarHBondContact O-CB 3.02Å; L769-F776 WeakPolarHBondContact CD1-O 3.49Å; L769-A779 HydrophobicContact CB-CB 3.91Å; L769-A779 HydrophobicContact CD2-CB 3.87Å; L769-A779 HydrophobicContact CG-CB 4.34Å; L769-L822 HydrophobicContact CB-CD2 4.13Å; L769-L822 HydrophobicContact CD2-CD2 3.88Å; L769-L822 HydrophobicContact CG-CD2 4.02Å; L769-P823 HydrophobicContact CD1-CG 3.9Å; L769-P823 HydrophobicContact CD2-CG 4.12Å; L769-P823 HydrophobicContact CG-CG 3.91Å; L769-R828 WeakPolarHBondContact CD2-O 3.27Å; L769-L829 HydrophobicContact CD2-CB 4.14Å; L769-L829 HydrophobicContact CD2-CD1 4.49Å
770	I	98.6	Very high	98.5	Very high	14 Å²	14	20.5 Å²	20.5	7%	0.072	11%	0.11	C	C	.	.	H	α-helix	trans	-78.1	-49.6	174.5	-74.4	163.9	0	0	0	111.6	L766 M767 V815 H818 K821 L822	L766-I770 WeakPolarHBondContact O-CG1 3.46Å; L766-I770 PolarHBondContact O-N 2.97Å; M767-I770 PolarHBondContact O-N 3.12Å; I770-V815 HydrophobicContact CD1-CB 3.79Å; I770-V815 HydrophobicContact CD1-CG1 3.68Å; I770-H818 HydrophobicContact CD1-CB 4.45Å; I770-H818 HydrophobicContact CG2-CB 4.47Å; I770-K821 HydrophobicContact CG2-CB 3.98Å; I770-K821 HydrophobicContact CG2-CD 4.05Å; I770-L822 HydrophobicContact CD1-CD2 4.25Å; I770-L822 HydrophobicContact CD1-CG 4.2Å; I770-L822 HydrophobicContact CG1-CD2 3.6Å; I770-L822 HydrophobicContact CG1-CG 3.71Å
771	C	97.6	Very high	98.5	Very high	63 Å²	63	20.3 Å²	20.3	43%	0.426	11%	0.109	S	C	.	.	H	α-helix	trans	-87.3	-31.5	-169.5	-63.7	0	0	0	0	113.3	M767 P773	M767-C771 VanDerWaalsContact O-CB 3.28Å; M767-C771 WeakPolarHBondContact O-CB 3.13Å; M767-C771 PolarHBondContact O-N 2.79Å; M767-C771 PolarHBondContact O-SG 3.04Å; C771-P773 VanDerWaalsContact C-CD 3.46Å
772	K	98.3	Very high	98.5	Very high	62 Å²	62	20.3 Å²	20.3	27%	0.27	11%	0.109	S	C	.	.			trans	-133.6	50.3	-177.5	-44.3	-73.9	-178.2	-179.8	0	112.5	I731 E732 V735 G768 N774 V775 F776	I731-K772 HydrophobicContact CG2-CG 3.59Å; E732-K772 IonicContact OE1-NZ 4Å; E732-K772 PolarHBondContact OE1-NZ 2.84Å; V735-K772 HydrophobicContact CG2-CG 4.27Å; G768-K772 CarbonylContact O-C 3.59Å; G768-K772 WeakPolarHBondContact O-CA 3.46Å; G768-K772 PolarHBondContact O-N 3.21Å; K772-N774 PolarHBondContact O-N 3.36Å; K772-V775 HydrophobicContact CB-CB 4.36Å; K772-V775 HydrophobicContact CB-CG2 4.29Å; K772-V775 PolarHBondContact O-N 2.73Å; K772-F776 HydrophobicContact CB-CD2 4.1Å; K772-F776 HydrophobicContact CB-CE2 4.14Å; K772-F776 PolarHBondContact O-N 2.85Å
773	P	97.4	Very high	98.5	Very high	39 Å²	39	20.3 Å²	20.3	25%	0.253	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.8	-179.2	24.2	-34.3	0	0	0	114.8	L769 C771 R828	L769-P773 WeakPolarHBondContact O-CB 3.02Å; C771-P773 VanDerWaalsContact C-CD 3.46Å; P773-R828 PolarHBondContact O-NH2 3.5Å
774	N	96.6	Very high	98.5	Very high	140 Å²	140	20.3 Å²	20.3	75%	0.749	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-29.1	172.6	-69.5	-15.9	0	0	0	112.3	K772 K777	K772-N774 PolarHBondContact O-N 3.36Å; N774-K777 PolarHBondContact O-NZ 3.27Å
775	V	98.3	Very high	98.5	Very high	29 Å²	29	20.5 Å²	20.5	18%	0.176	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-63.5	175.3	-178.6	0	0	0	0	109.2	V735 L738 K772 K777	V735-V775 HydrophobicContact CG1-CG2 4.47Å; V735-V775 HydrophobicContact CG2-CG1 4.44Å; V735-V775 HydrophobicContact CG2-CG2 4.5Å; L738-V775 HydrophobicContact CD2-CG1 3.95Å; K772-V775 HydrophobicContact CB-CB 4.36Å; K772-V775 HydrophobicContact CB-CG2 4.29Å; K772-V775 PolarHBondContact O-N 2.73Å; V775-K777 PolarHBondContact O-N 3.3Å
776	F	98.7	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	108.6	-173.4	-56.7	-68.1	0	0	0	111.1	L670 I731 V735 V753 I755 G768 L769 K772 R828	L670-F776 HydrophobicContact CB-CE1 4.47Å; L670-F776 HydrophobicContact CD2-CE1 3.67Å; L670-F776 HydrophobicContact CD2-CZ 3.88Å; I731-F776 HydrophobicContact CG2-CE2 4.22Å; V735-F776 HydrophobicContact CG2-CE2 3.87Å; V735-F776 HydrophobicContact CG2-CZ 3.89Å; V753-F776 HydrophobicContact CB-CD1 4.49Å; V753-F776 HydrophobicContact CG1-CD1 3.79Å; V753-F776 HydrophobicContact CG1-CE1 3.93Å; V753-F776 CarbonylContact O-C 3.43Å; I755-F776 HydrophobicContact CB-CD1 3.66Å; I755-F776 HydrophobicContact CB-CE1 3.98Å; I755-F776 HydrophobicContact CB-CG 4.18Å; I755-F776 HydrophobicContact CD1-CE1 4.27Å; I755-F776 HydrophobicContact CD1-CZ 4.24Å; I755-F776 HydrophobicContact CG2-CB 4.1Å; I755-F776 HydrophobicContact CG2-CD1 4Å; I755-F776 HydrophobicContact CG2-CG 4Å; G768-F776 WeakPolarHBondContact O-CD2 3.18Å; L769-F776 WeakPolarHBondContact CD1-O 3.49Å; K772-F776 HydrophobicContact CB-CD2 4.1Å; K772-F776 HydrophobicContact CB-CE2 4.14Å; K772-F776 PolarHBondContact O-N 2.85Å; F776-R828 PolarHBondContact O-NH2 3.18Å
777	K	98.6	Very high	98.5	Very high	69 Å²	69	21 Å²	21	30%	0.3	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-41.8	179.8	-55.7	-45.1	-174.9	-169	0	110.9	S751 V753 N774 V775 R828 L892	S751-K777 WeakPolarHBondContact O-CE 3.35Å; S751-K777 WeakPolarHBondContact O-CG 3.34Å; V753-K777 PolarHBondContact O-N 2.74Å; N774-K777 PolarHBondContact O-NZ 3.27Å; V775-K777 PolarHBondContact O-N 3.3Å; K777-R828 WeakPolarHBondContact O-CG 3.47Å; K777-R828 PolarHBondContact O-NE 3.19Å; K777-R828 PolarHBondContact O-NH2 2.83Å; K777-L892 HydrophobicContact CB-CD1 4.33Å
778	I	98.6	Very high	98.5	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152	175.4	75.3	-174.7	0	0	0	111.5	A754 I755 R828 F887 L888 Y891 L892	A754-I778 WeakPolarHBondContact CA-O 3.43Å; A754-I778 HydrophobicContact CB-CD1 3.98Å; A754-I778 HydrophobicContact CB-CG1 3.52Å; I755-I778 PolarHBondContact N-O 2.78Å; I778-R828 CarbonylContact C-O 3.42Å; I778-R828 VanDerWaalsContact CA-O 3.26Å; I778-R828 WeakPolarHBondContact CA-O 3.47Å; I778-F887 HydrophobicContact CB-CE1 4.14Å; I778-F887 HydrophobicContact CD1-CD1 3.91Å; I778-F887 HydrophobicContact CD1-CE1 3.75Å; I778-F887 HydrophobicContact CG1-CE1 4.25Å; I778-L888 HydrophobicContact CD1-CD2 4.01Å; I778-Y891 WeakPolarHBondContact CG2-O 3.35Å; I778-L892 HydrophobicContact CD1-CB 4.12Å; I778-L892 HydrophobicContact CD1-CD1 4.33Å; I778-L892 HydrophobicContact CG1-CD1 4.38Å
779	A	98.9	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.3	171.1	0	0	0	0	0	112.1	I755 S765 L769 R828 L830	I755-A779 HydrophobicContact CG2-CB 3.67Å; I755-A779 WeakPolarHBondContact O-CA 3.38Å; S765-A779 VanDerWaalsContact O-CB 3.23Å; S765-A779 WeakPolarHBondContact O-CB 3.42Å; L769-A779 HydrophobicContact CB-CB 3.91Å; L769-A779 HydrophobicContact CD2-CB 3.87Å; L769-A779 HydrophobicContact CG-CB 4.34Å; A779-R828 PolarHBondContact N-O 3.41Å; A779-L830 PolarHBondContact O-N 2.77Å
780	I	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	94.5	-179.2	-52.5	176.4	0	0	0	108.3	I755 H756 G757 L830 L832 L884 F887 L888	I755-I780 PolarHBondContact O-N 3.29Å; H756-I780 HydrophobicContact CB-CB 4.1Å; H756-I780 PolarHBondContact ND1-O 2.87Å; G757-I780 PolarHBondContact N-O 2.75Å; I780-L830 CarbonylContact C-O 3.55Å; I780-L830 WeakPolarHBondContact CA-O 3.43Å; I780-L830 HydrophobicContact CG1-CB 4.38Å; I780-L830 HydrophobicContact CG2-CB 4.39Å; I780-L830 HydrophobicContact CG2-CD2 4Å; I780-L830 HydrophobicContact CG2-CG 4.22Å; I780-L832 HydrophobicContact CG2-CD1 3.79Å; I780-L832 HydrophobicContact CG2-CG 4.3Å; I780-L884 HydrophobicContact CD1-CD1 3.44Å; I780-L884 VanDerWaalsContact CD1-CD1 3.44Å; I780-L884 HydrophobicContact CG2-CD1 4.37Å; I780-F887 HydrophobicContact CD1-CD1 3.7Å; I780-F887 HydrophobicContact CD1-CE1 4.25Å; I780-F887 HydrophobicContact CG1-CD1 3.91Å; I780-F887 HydrophobicContact CG1-CE1 3.97Å; I780-L888 HydrophobicContact CD1-CD2 4.2Å; I780-L888 HydrophobicContact CD1-CG 4.25Å
781	A	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.3	-170.1	0	0	0	0	0	111.9	G762 L766 P784 L830 L832	G762-A781 WeakPolarHBondContact O-CB 3.3Å; L766-A781 HydrophobicContact CD1-CB 4.26Å; L766-A781 HydrophobicContact CD2-CB 3.88Å; L766-A781 HydrophobicContact CG-CB 3.75Å; A781-P784 HydrophobicContact CB-CB 4.42Å; A781-P784 HydrophobicContact CB-CG 4.29Å; A781-L830 PolarHBondContact N-O 2.8Å; A781-L832 PolarHBondContact O-N 2.83Å
782	G	98.8	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.6	175.7	0	0	0	0	0	113.6	G757 W758 S759 P784 L832	G757-G782 PolarHBondContact O-N 3.39Å; W758-G782 CarbonylContact C-O 3.46Å; W758-G782 VanDerWaalsContact CA-O 3.25Å; W758-G782 WeakPolarHBondContact CA-O 3.16Å; S759-G782 PolarHBondContact N-O 3.12Å; G782-P784 VanDerWaalsContact C-CD 3.46Å; G782-P784 VanDerWaalsContact C-N 3.35Å; G782-L832 CarbonylContact C-O 3.54Å; G782-L832 WeakPolarHBondContact CA-O 3.41Å
783	A	98.6	Very high	98.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.101	C	C	.	.	S	Bend	trans	38.2	54.9	-177.4	0	0	0	0	0	113.9	W758 S759 L832	W758-A783 HydrophobicContact CE3-CB 3.99Å; W758-A783 HydrophobicContact CZ3-CB 4.13Å; S759-A783 WeakPolarHBondContact CA-O 3.28Å; A783-L832 PolarHBondContact N-O 2.85Å
784	P	98.8	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.			trans	-75.6	137.6	-174.4	31.1	-35	0	0	0	111.8	L766 A781 G782 T786 H844	L766-P784 HydrophobicContact CD1-CB 3.75Å; L766-P784 HydrophobicContact CD1-CG 3.97Å; A781-P784 HydrophobicContact CB-CB 4.42Å; A781-P784 HydrophobicContact CB-CG 4.29Å; G782-P784 VanDerWaalsContact C-CD 3.46Å; G782-P784 VanDerWaalsContact C-N 3.35Å; P784-T786 HydrophobicContact CB-CG2 4.23Å; P784-T786 HydrophobicContact CG-CG2 4.06Å; P784-T786 PolarHBondContact O-N 2.82Å; P784-H844 WeakPolarHBondContact O-CB 3.16Å
785	V	98.8	Very high	98.6	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.024	6%	0.056	C	C	.	.			trans	-68	127.6	156.9	179.3	0	0	0	0	107.7	W788 Y791 V840	V785-W788 HydrophobicContact CB-CH2 4.35Å; V785-W788 HydrophobicContact CB-CZ3 4.44Å; V785-W788 HydrophobicContact CG1-CD2 3.94Å; V785-W788 HydrophobicContact CG1-CE3 3.79Å; V785-W788 HydrophobicContact CG1-CH2 4.18Å; V785-W788 HydrophobicContact CG1-CZ2 4.31Å; V785-W788 HydrophobicContact CG1-CZ3 3.92Å; V785-W788 HydrophobicContact CG2-CZ3 4.41Å; V785-Y791 HydrophobicContact CG2-CD2 4.09Å; V785-Y791 HydrophobicContact CG2-CE2 4.15Å; V785-Y791 HydrophobicContact CG2-CG 4.42Å; V785-V840 HydrophobicContact CG2-CG1 4.05Å; V785-V840 HydrophobicContact CG2-CG2 3.89Å
786	T	98.8	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.			trans	-119.2	-13.4	-176.4	64.6	0	0	0	0	114.9	L766 P784 S814 V815 A816 H844 L848	L766-T786 HydrophobicContact CD1-CG2 4.2Å; P784-T786 HydrophobicContact CB-CG2 4.23Å; P784-T786 HydrophobicContact CG-CG2 4.06Å; P784-T786 PolarHBondContact O-N 2.82Å; T786-S814 CarbonylContact O-C 3.55Å; T786-V815 HydrophobicContact CG2-CG2 4.05Å; T786-V815 PolarHBondContact O-N 2.78Å; T786-A816 WeakPolarHBondContact O-CB 3.38Å; T786-A816 PolarHBondContact O-N 2.81Å; T786-A816 VanDerWaalsContact O-N 3.08Å; T786-H844 HydrophobicContact CG2-CB 4.05Å; T786-H844 WeakPolarHBondContact CG2-O 3.35Å; T786-H844 PolarHBondContact N-ND1 2.9Å; T786-H844 VanDerWaalsContact OG1-C 3.23Å; T786-H844 WeakPolarHBondContact OG1-CA 3.36Å; T786-H844 VanDerWaalsContact OG1-CB 3.28Å; T786-H844 WeakPolarHBondContact OG1-CB 3.37Å; T786-H844 PolarHBondContact OG1-O 2.93Å; T786-L848 HydrophobicContact CG2-CB 3.99Å; T786-L848 HydrophobicContact CG2-CD2 3.8Å; T786-L848 HydrophobicContact CG2-CG 4.44Å
787	V	98.6	Very high	98.7	Very high	11 Å²	11	9.6 Å²	9.6	7%	0.067	5%	0.048	C	C	.	.			trans	-150.3	110	-178.9	178	0	0	0	0	107.1	M789 A790 A816 H844 F847	V787-M789 VanDerWaalsContact C-N 3.3Å; V787-M789 HydrophobicContact CG1-CB 4.15Å; V787-M789 HydrophobicContact CG1-CE 4.24Å; V787-M789 PolarHBondContact O-N 3.47Å; V787-A790 HydrophobicContact CB-CB 4.44Å; V787-A790 HydrophobicContact CG1-CB 4.42Å; V787-A790 PolarHBondContact O-N 2.88Å; V787-A816 HydrophobicContact CG2-CB 3.79Å; V787-H844 PolarHBondContact O-CE1 2.82Å; V787-H844 VanDerWaalsContact O-CE1 3.31Å; V787-F847 HydrophobicContact CG2-CD1 3.59Å; V787-F847 HydrophobicContact CG2-CE1 3.67Å
788	W	98.7	Very high	98.7	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.008	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-65.8	-31.2	-175.9	-73	107.7	0	0	0	113.2	T336 M726 Y760 F763 V785 A790 Y791 Y795 T796 Y810 G813 S814	T336-W788 VanDerWaalsContact CG2-O 3.28Å; T336-W788 WeakPolarHBondContact CG2-O 3.23Å; M726-W788 HydrophobicContact CB-CZ2 4.33Å; M726-W788 HydrophobicContact SD-CH2 4Å; M726-W788 HydrophobicContact SD-CZ2 4.11Å; M726-W788 HydrophobicContact SD-CZ3 4.47Å; Y760-W788 HydrophobicContact CD2-CH2 4.06Å; Y760-W788 AromaticContact CE2-CH2 3.8Å; Y760-W788 HydrophobicContact CE2-CH2 3.8Å; Y760-W788 HydrophobicContact CE2-CZ2 4.03Å; F763-W788 AromaticContact CD1-CZ2 3.98Å; F763-W788 HydrophobicContact CD1-CZ2 3.98Å; F763-W788 AromaticContact CE1-CZ2 3.77Å; F763-W788 HydrophobicContact CE1-CZ2 3.77Å; F763-W788 HydrophobicContact CG-CZ2 4.43Å; F763-W788 HydrophobicContact CZ-CZ2 4.05Å; F763-W788 AromaticContact CZ-NE1 3.91Å; V785-W788 HydrophobicContact CB-CH2 4.35Å; V785-W788 HydrophobicContact CB-CZ3 4.44Å; V785-W788 HydrophobicContact CG1-CD2 3.94Å; V785-W788 HydrophobicContact CG1-CE3 3.79Å; V785-W788 HydrophobicContact CG1-CH2 4.18Å; V785-W788 HydrophobicContact CG1-CZ2 4.31Å; V785-W788 HydrophobicContact CG1-CZ3 3.92Å; V785-W788 HydrophobicContact CG2-CZ3 4.41Å; W788-A790 PolarHBondContact O-N 2.88Å; W788-Y791 HydrophobicContact CE3-CD1 4.43Å; W788-Y791 HydrophobicContact CZ3-CD1 4.12Å; W788-Y791 PolarHBondContact O-N 2.94Å; W788-Y795 AromaticContact CH2-CE1 3.95Å; W788-Y795 HydrophobicContact CH2-CE1 3.95Å; W788-Y795 AromaticContact CZ3-CD1 3.95Å; W788-Y795 HydrophobicContact CZ3-CD1 3.95Å; W788-Y795 AromaticContact CZ3-CE1 3.71Å; W788-Y795 HydrophobicContact CZ3-CE1 3.71Å; W788-T796 HydrophobicContact CB-CG2 4.08Å; W788-T796 HydrophobicContact CD2-CG2 4.42Å; W788-T796 HydrophobicContact CE3-CG2 3.84Å; W788-Y810 HydrophobicContact CB-CD1 3.62Å; W788-Y810 HydrophobicContact CB-CE1 3.8Å; W788-G813 VanDerWaalsContact CD1-C 3.5Å; W788-G813 PolarHBondContact NE1-O 3.22Å; W788-S814 PolarHBondContact N-OG 2.97Å; W788-S814 VanDerWaalsContact N-OG 3.12Å
789	M	98.1	Very high	98.7	Very high	68 Å²	68	6.5 Å²	6.5	34%	0.335	3%	0.034	S	C	.	.	G	3₁₀ helix	trans	-61.7	-10	174.9	-64.2	-179.1	-74.6	0	0	115.2	V787 Y810	V787-M789 VanDerWaalsContact C-N 3.3Å; V787-M789 HydrophobicContact CG1-CB 4.15Å; V787-M789 HydrophobicContact CG1-CE 4.24Å; V787-M789 PolarHBondContact O-N 3.47Å; M789-Y810 HydrophobicContact CG-CD1 3.86Å; M789-Y810 HydrophobicContact CG-CE1 4.42Å
790	A	98.3	Very high	98.7	Very high	18 Å²	18	6.5 Å²	6.5	15%	0.149	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-106.1	0.8	178.2	0	0	0	0	0	113.4	V787 W788 F843	V787-A790 HydrophobicContact CB-CB 4.44Å; V787-A790 HydrophobicContact CG1-CB 4.42Å; V787-A790 PolarHBondContact O-N 2.88Å; W788-A790 PolarHBondContact O-N 2.88Å; A790-F843 HydrophobicContact CB-CD1 4.01Å; A790-F843 HydrophobicContact CB-CE1 3.73Å
791	Y	98.6	Very high	98.7	Very high	9 Å²	9	8 Å²	8	4%	0.035	4%	0.042	C	C	.	.	S	Bend	trans	-100.6	170.3	175.8	-154.8	-116.4	0	0	0	110.4	Y333 R335 T336 V785 W788 Y795 N839 V840	Y333-Y791 WeakPolarHBondContact OH-CA 3.34Å; Y333-Y791 WeakPolarHBondContact OH-CD2 3.41Å; R335-Y791 CarbonylContact C-O 3.42Å; R335-Y791 VanDerWaalsContact CA-O 3.24Å; R335-Y791 WeakPolarHBondContact CA-O 3.44Å; T336-Y791 PolarHBondContact N-O 3.45Å; V785-Y791 HydrophobicContact CG2-CD2 4.09Å; V785-Y791 HydrophobicContact CG2-CE2 4.15Å; V785-Y791 HydrophobicContact CG2-CG 4.42Å; W788-Y791 HydrophobicContact CE3-CD1 4.43Å; W788-Y791 HydrophobicContact CZ3-CD1 4.12Å; W788-Y791 PolarHBondContact O-N 2.94Å; Y791-Y795 AromaticContact CD1-CD1 3.98Å; Y791-Y795 HydrophobicContact CD1-CD1 3.98Å; Y791-Y795 HydrophobicContact CD1-CG 4.1Å; Y791-Y795 AromaticContact CE1-CD1 3.75Å; Y791-Y795 HydrophobicContact CE1-CD1 3.75Å; Y791-Y795 HydrophobicContact CE1-CD2 4.08Å; Y791-Y795 HydrophobicContact CE1-CE1 4.47Å; Y791-Y795 AromaticContact CE1-CG 3.54Å; Y791-Y795 HydrophobicContact CE1-CG 3.54Å; Y791-N839 WeakPolarHBondContact CE2-OD1 3.46Å; Y791-N839 VanDerWaalsContact CZ-OD1 3.3Å; Y791-N839 PolarHBondContact OH-ND2 3.45Å; Y791-N839 PolarHBondContact OH-OD1 3.29Å; Y791-V840 HydrophobicContact CD2-CG2 4.47Å; Y791-V840 HydrophobicContact CE2-CB 4.46Å; Y791-V840 HydrophobicContact CE2-CG2 3.61Å
792	D	98.6	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-76.1	165.2	-164.5	77.9	95.8	0	0	0	115.1	V273 E277 Y333 P334 G794 Y795 T796	V273-D792 HydrophobicContact CG2-CB 4.1Å; E277-D792 WeakPolarHBondContact CG-OD1 3.47Å; Y333-D792 HydrophobicContact CE1-CB 4.23Å; Y333-D792 HydrophobicContact CE2-CB 4.31Å; Y333-D792 PolarHBondContact OH-N 2.97Å; Y333-D792 VanDerWaalsContact OH-N 3.16Å; P334-D792 CarbonylContact O-C 3.55Å; P334-D792 VanDerWaalsContact O-CA 3.32Å; P334-D792 WeakPolarHBondContact O-CA 3.35Å; D792-G794 VanDerWaalsContact OD1-CA 3.31Å; D792-G794 WeakPolarHBondContact OD1-CA 3.28Å; D792-G794 PolarHBondContact OD1-N 2.96Å; D792-Y795 PolarHBondContact OD1-N 3.11Å; D792-Y795 VanDerWaalsContact OD2-CB 3.31Å; D792-Y795 WeakPolarHBondContact OD2-CB 3.18Å; D792-T796 WeakPolarHBondContact O-CB 3.49Å; D792-T796 PolarHBondContact O-N 2.75Å; D792-T796 VanDerWaalsContact O-N 3.15Å; D792-T796 PolarHBondContact O-OG1 3.04Å
793	T	98.7	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-47.1	176.3	55	0	0	0	0	113	P334 R335 N340 Y379 E797	P334-T793 HydrophobicContact CB-CG2 4.05Å; P334-T793 WeakPolarHBondContact O-CG2 3.34Å; P334-T793 PolarHBondContact O-N 2.97Å; R335-T793 WeakPolarHBondContact O-CG2 3.45Å; N340-T793 PolarHBondContact OD1-OG1 3.07Å; Y379-T793 WeakPolarHBondContact OH-CB 3.41Å; Y379-T793 PolarHBondContact OH-OG1 2.86Å; T793-E797 WeakPolarHBondContact CG2-OE1 3.39Å; T793-E797 VanDerWaalsContact O-CB 3.27Å; T793-E797 WeakPolarHBondContact O-CB 3.38Å; T793-E797 WeakPolarHBondContact O-CG 3.4Å; T793-E797 PolarHBondContact O-N 3.27Å
794	G	98.5	Very high	98.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.4	-40.4	-170	0	0	0	0	0	113.3	Q401 D792 R798	Q401-G794 PolarHBondContact NE2-O 3.01Å; D792-G794 VanDerWaalsContact OD1-CA 3.31Å; D792-G794 WeakPolarHBondContact OD1-CA 3.28Å; D792-G794 PolarHBondContact OD1-N 2.96Å; G794-R798 WeakPolarHBondContact O-CB 3.2Å; G794-R798 PolarHBondContact O-NH1 3.12Å; G794-R798 PolarHBondContact O-NH2 3.4Å
795	Y	98.8	Very high	98.5	Very high	15 Å²	15	22.5 Å²	22.5	6%	0.059	12%	0.115	C	C	.	.	H	α-helix	trans	-72.4	-56.9	170.1	-167	-83.1	0	0	0	110.9	E277 P676 M726 Y760 W788 Y791 D792 Y799	E277-Y795 WeakPolarHBondContact OE2-CB 3.48Å; E277-Y795 VanDerWaalsContact OE2-CD2 3.25Å; E277-Y795 WeakPolarHBondContact OE2-CD2 3.29Å; P676-Y795 WeakPolarHBondContact CD-OH 3.47Å; P676-Y795 WeakPolarHBondContact CG-OH 3.34Å; M726-Y795 HydrophobicContact CE-CE1 3.91Å; M726-Y795 HydrophobicContact SD-CE1 4.19Å; Y760-Y795 VanDerWaalsContact CD2-OH 3.25Å; Y760-Y795 WeakPolarHBondContact CD2-OH 3.41Å; W788-Y795 AromaticContact CH2-CE1 3.95Å; W788-Y795 HydrophobicContact CH2-CE1 3.95Å; W788-Y795 AromaticContact CZ3-CD1 3.95Å; W788-Y795 HydrophobicContact CZ3-CD1 3.95Å; W788-Y795 AromaticContact CZ3-CE1 3.71Å; W788-Y795 HydrophobicContact CZ3-CE1 3.71Å; Y791-Y795 AromaticContact CD1-CD1 3.98Å; Y791-Y795 HydrophobicContact CD1-CD1 3.98Å; Y791-Y795 HydrophobicContact CD1-CG 4.1Å; Y791-Y795 AromaticContact CE1-CD1 3.75Å; Y791-Y795 HydrophobicContact CE1-CD1 3.75Å; Y791-Y795 HydrophobicContact CE1-CD2 4.08Å; Y791-Y795 HydrophobicContact CE1-CE1 4.47Å; Y791-Y795 AromaticContact CE1-CG 3.54Å; Y791-Y795 HydrophobicContact CE1-CG 3.54Å; D792-Y795 PolarHBondContact OD1-N 3.11Å; D792-Y795 VanDerWaalsContact OD2-CB 3.31Å; D792-Y795 WeakPolarHBondContact OD2-CB 3.18Å; Y795-Y799 AromaticContact CD1-CD2 3.69Å; Y795-Y799 HydrophobicContact CD1-CD2 3.69Å; Y795-Y799 AromaticContact CD1-CE2 3.9Å; Y795-Y799 HydrophobicContact CD1-CE2 3.9Å; Y795-Y799 HydrophobicContact CD2-CD2 4.45Å; Y795-Y799 AromaticContact CD2-CE2 3.82Å; Y795-Y799 HydrophobicContact CD2-CE2 3.82Å; Y795-Y799 AromaticContact CE1-CD2 3.54Å; Y795-Y799 HydrophobicContact CE1-CD2 3.54Å; Y795-Y799 AromaticContact CE1-CE2 3.76Å; Y795-Y799 HydrophobicContact CE1-CE2 3.76Å; Y795-Y799 HydrophobicContact CE2-CD2 4.32Å; Y795-Y799 AromaticContact CE2-CE2 3.66Å; Y795-Y799 HydrophobicContact CE2-CE2 3.66Å; Y795-Y799 HydrophobicContact CG-CD2 4.14Å; Y795-Y799 AromaticContact CG-CE2 3.91Å; Y795-Y799 HydrophobicContact CG-CE2 3.91Å; Y795-Y799 AromaticContact CZ-CD2 3.87Å; Y795-Y799 AromaticContact CZ-CE2 3.62Å; Y795-Y799 WeakPolarHBondContact O-CD2 3.29Å
796	T	98.8	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-75	-42.3	-160.2	-38.5	0	0	0	0	112	T336 W788 D792 R798 Y799 M800 Y810	T336-T796 HydrophobicContact CG2-CG2 4.22Å; W788-T796 HydrophobicContact CB-CG2 4.08Å; W788-T796 HydrophobicContact CD2-CG2 4.42Å; W788-T796 HydrophobicContact CE3-CG2 3.84Å; D792-T796 WeakPolarHBondContact O-CB 3.49Å; D792-T796 PolarHBondContact O-N 2.75Å; D792-T796 VanDerWaalsContact O-N 3.15Å; D792-T796 PolarHBondContact O-OG1 3.04Å; T796-R798 VanDerWaalsContact C-N 3.3Å; T796-R798 PolarHBondContact O-N 3.31Å; T796-Y799 PolarHBondContact O-N 3.01Å; T796-M800 HydrophobicContact CG2-CB 4.24Å; T796-M800 HydrophobicContact CG2-CG 4.48Å; T796-M800 WeakPolarHBondContact O-CA 3.49Å; T796-M800 WeakPolarHBondContact O-CB 3.34Å; T796-M800 PolarHBondContact O-N 2.8Å; T796-Y810 HydrophobicContact CG2-CE1 3.78Å; T796-Y810 WeakPolarHBondContact CG2-OH 3.21Å
797	E	98.8	Very high	98.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-28.7	-176.5	-59	179.7	-167.9	0	0	112	T336 G337 R399 T793 Y799 D801 I802	T336-E797 WeakPolarHBondContact CA-OE1 3.41Å; T336-E797 VanDerWaalsContact OG1-CG 3.28Å; T336-E797 WeakPolarHBondContact OG1-CG 3.44Å; T336-E797 PolarHBondContact OG1-OE1 3.45Å; G337-E797 PolarHBondContact N-OE1 3.08Å; R399-E797 WeakPolarHBondContact CG-OE2 3.15Å; R399-E797 IonicContact CZ-OE1 3.69Å; R399-E797 IonicContact CZ-OE2 3.87Å; R399-E797 IonicContact NE-OE1 2.76Å; R399-E797 IonicContact NE-OE2 2.69Å; R399-E797 PolarHBondContact NE-OE2 2.95Å; R399-E797 IonicContact NH2-OE1 2.86Å; R399-E797 PolarHBondContact NH2-OE1 2.72Å; R399-E797 IonicContact NH2-OE2 2.81Å; R399-E797 PolarHBondContact NH2-OE2 3.45Å; T793-E797 WeakPolarHBondContact CG2-OE1 3.39Å; T793-E797 VanDerWaalsContact O-CB 3.27Å; T793-E797 WeakPolarHBondContact O-CB 3.38Å; T793-E797 WeakPolarHBondContact O-CG 3.4Å; T793-E797 PolarHBondContact O-N 3.27Å; E797-Y799 PolarHBondContact O-N 2.85Å; E797-D801 WeakPolarHBondContact O-CA 3.44Å; E797-D801 PolarHBondContact O-N 2.72Å; E797-D801 VanDerWaalsContact O-N 3.09Å; E797-I802 HydrophobicContact CG-CG2 4.08Å
798	R	98.8	Very high	98.5	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-42.8	173.5	179.8	169.4	46.4	-138.7	5.3	112.9	E277 Q401 W448 G794 T796	E277-R798 PolarHBondContact O-NH1 3.02Å; E277-R798 IonicContact OE2-CZ 3.29Å; E277-R798 IonicContact OE2-NH2 3.58Å; E277-R798 PolarHBondContact OE2-NH2 3.13Å; Q401-R798 HydrophobicContact CB-CG 4.43Å; Q401-R798 VanDerWaalsContact OE1-CD 3.31Å; W448-R798 HydrophobicContact CB-CG 3.78Å; W448-R798 HydrophobicContact CD2-CG 4.5Å; W448-R798 HydrophobicContact CG-CG 4.03Å; G794-R798 WeakPolarHBondContact O-CB 3.2Å; G794-R798 PolarHBondContact O-NH1 3.12Å; G794-R798 PolarHBondContact O-NH2 3.4Å; T796-R798 VanDerWaalsContact C-N 3.3Å; T796-R798 PolarHBondContact O-N 3.31Å
799	Y	98.8	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-102.6	-24.4	-173.3	-53.2	-59	0	0	0	114	W448 P676 Q677 K723 N724 M726 Y795 T796 E797	W448-Y799 AromaticContact CD2-CD1 3.8Å; W448-Y799 HydrophobicContact CD2-CD1 3.8Å; W448-Y799 HydrophobicContact CD2-CE1 4.08Å; W448-Y799 AromaticContact CE2-CD1 3.78Å; W448-Y799 AromaticContact CE2-CE1 3.76Å; W448-Y799 AromaticContact CE3-CD1 3.74Å; W448-Y799 HydrophobicContact CE3-CD1 3.74Å; W448-Y799 HydrophobicContact CE3-CE1 4.48Å; W448-Y799 AromaticContact CH2-CD1 3.66Å; W448-Y799 HydrophobicContact CH2-CD1 3.66Å; W448-Y799 HydrophobicContact CH2-CE1 4.3Å; W448-Y799 AromaticContact CZ2-CD1 3.73Å; W448-Y799 HydrophobicContact CZ2-CD1 3.73Å; W448-Y799 AromaticContact CZ2-CE1 3.9Å; W448-Y799 HydrophobicContact CZ2-CE1 3.9Å; W448-Y799 AromaticContact CZ3-CD1 3.67Å; W448-Y799 HydrophobicContact CZ3-CD1 3.67Å; W448-Y799 HydrophobicContact CZ3-CG 4.49Å; P676-Y799 HydrophobicContact CB-CD1 4.41Å; P676-Y799 HydrophobicContact CB-CE1 3.74Å; P676-Y799 HydrophobicContact CB-CE2 4.45Å; P676-Y799 HydrophobicContact CG-CD1 4.16Å; P676-Y799 HydrophobicContact CG-CD2 4.07Å; P676-Y799 HydrophobicContact CG-CE1 3.74Å; P676-Y799 HydrophobicContact CG-CE2 3.63Å; P676-Y799 HydrophobicContact CG-CG 4.31Å; P676-Y799 VanDerWaalsContact CG-CZ 3.44Å; Q677-Y799 VanDerWaalsContact CG-OH 3.29Å; Q677-Y799 WeakPolarHBondContact CG-OH 3.45Å; Q677-Y799 PolarHBondContact NE2-OH 2.7Å; K723-Y799 WeakPolarHBondContact CA-O 3.46Å; N724-Y799 PolarHBondContact N-O 2.96Å; M726-Y799 HydrophobicContact CE-CD1 4.38Å; M726-Y799 HydrophobicContact CE-CD2 3.59Å; M726-Y799 HydrophobicContact CE-CE2 4.39Å; M726-Y799 HydrophobicContact CE-CG 3.58Å; M726-Y799 HydrophobicContact SD-CD2 4.47Å; M726-Y799 HydrophobicContact SD-CG 4.47Å; Y795-Y799 AromaticContact CD1-CD2 3.69Å; Y795-Y799 HydrophobicContact CD1-CD2 3.69Å; Y795-Y799 AromaticContact CD1-CE2 3.9Å; Y795-Y799 HydrophobicContact CD1-CE2 3.9Å; Y795-Y799 HydrophobicContact CD2-CD2 4.45Å; Y795-Y799 AromaticContact CD2-CE2 3.82Å; Y795-Y799 HydrophobicContact CD2-CE2 3.82Å; Y795-Y799 AromaticContact CE1-CD2 3.54Å; Y795-Y799 HydrophobicContact CE1-CD2 3.54Å; Y795-Y799 AromaticContact CE1-CE2 3.76Å; Y795-Y799 HydrophobicContact CE1-CE2 3.76Å; Y795-Y799 HydrophobicContact CE2-CD2 4.32Å; Y795-Y799 AromaticContact CE2-CE2 3.66Å; Y795-Y799 HydrophobicContact CE2-CE2 3.66Å; Y795-Y799 HydrophobicContact CG-CD2 4.14Å; Y795-Y799 AromaticContact CG-CE2 3.91Å; Y795-Y799 HydrophobicContact CG-CE2 3.91Å; Y795-Y799 AromaticContact CZ-CD2 3.87Å; Y795-Y799 AromaticContact CZ-CE2 3.62Å; Y795-Y799 WeakPolarHBondContact O-CD2 3.29Å; T796-Y799 PolarHBondContact O-N 3.01Å; E797-Y799 PolarHBondContact O-N 2.85Å
800	M	98.8	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-122	0.9	-172.1	-65.8	-66.3	-74.3	0	0	114.5	M726 T796 N806 G809 Y810	M726-M800 HydrophobicContact CB-CE 4.38Å; M726-M800 HydrophobicContact CB-CG 4.42Å; M726-M800 HydrophobicContact CB-SD 3.62Å; M726-M800 HydrophobicContact CG-CG 4.12Å; M726-M800 HydrophobicContact CG-SD 3.62Å; M726-M800 PolarHBondContact N-SD 2.79Å; M726-M800 VanDerWaalsContact N-SD 3.4Å; M726-M800 HydrophobicContact SD-CG 3.88Å; M726-M800 HydrophobicContact SD-SD 4.2Å; T796-M800 HydrophobicContact CG2-CB 4.24Å; T796-M800 HydrophobicContact CG2-CG 4.48Å; T796-M800 WeakPolarHBondContact O-CA 3.49Å; T796-M800 WeakPolarHBondContact O-CB 3.34Å; T796-M800 PolarHBondContact O-N 2.8Å; M800-N806 WeakPolarHBondContact O-CB 3.38Å; M800-N806 PolarHBondContact O-ND2 3.17Å; M800-G809 VanDerWaalsContact CE-O 3.29Å; M800-G809 WeakPolarHBondContact CE-O 3.41Å; M800-Y810 HydrophobicContact CB-CD2 4.46Å; M800-Y810 HydrophobicContact CB-CE2 3.83Å; M800-Y810 WeakPolarHBondContact O-CE2 3.43Å
801	D	98.6	Very high	98.5	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.171	17%	0.168	C	C	.	.			trans	63.6	-178.8	-169.6	-143.6	-51.2	0	0	0	112.1	E797 N805 N806 Y810	E797-D801 WeakPolarHBondContact O-CA 3.44Å; E797-D801 PolarHBondContact O-N 2.72Å; E797-D801 VanDerWaalsContact O-N 3.09Å; D801-N805 HydrophobicContact CB-CB 4.19Å; D801-N805 WeakPolarHBondContact OD1-CB 3.3Å; D801-N805 PolarHBondContact OD1-ND2 3.44Å; D801-N806 HydrophobicContact CB-CB 4.2Å; D801-Y810 VanDerWaalsContact O-CE2 3.27Å; D801-Y810 WeakPolarHBondContact O-CE2 3.44Å; D801-Y810 PolarHBondContact O-OH 2.98Å
802	I	98.3	Very high	98.5	Very high	46 Å²	46	35.3 Å²	35.3	24%	0.236	18%	0.176	C	C	.	.			trans	-70.6	151.1	169.7	60.1	172.7	0	0	0	110.8	E797 E804 N805 N806	E797-I802 HydrophobicContact CG-CG2 4.08Å; I802-E804 HydrophobicContact CD1-CB 4.14Å; I802-E804 HydrophobicContact CG1-CB 4.37Å; I802-E804 PolarHBondContact O-N 3.34Å; I802-E804 VanDerWaalsContact O-N 3.16Å; I802-N805 HydrophobicContact CG1-CB 3.88Å; I802-N805 WeakPolarHBondContact CG1-ND2 3.47Å; I802-N805 PolarHBondContact O-N 3.3Å; I802-N806 PolarHBondContact O-N 3.12Å
803	P	97.9	Very high	98.5	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.084	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-38	-179.5	-26.7	35	0	0	0	113.7	T336 N805 N806 Q807 Y810	T336-P803 HydrophobicContact CG2-CG 4.29Å; P803-N805 VanDerWaalsContact C-N 3.26Å; P803-N805 PolarHBondContact O-N 2.87Å; P803-N806 CarbonylContact O-C 3.51Å; P803-N806 PolarHBondContact O-N 3.11Å; P803-Q807 PolarHBondContact O-N 2.72Å; P803-Y810 HydrophobicContact CB-CD2 4.5Å; P803-Y810 HydrophobicContact CB-CE1 4.48Å; P803-Y810 HydrophobicContact CB-CE2 4.43Å; P803-Y810 HydrophobicContact CG-CD1 4.38Å; P803-Y810 HydrophobicContact CG-CE1 3.9Å; P803-Y810 HydrophobicContact CG-CE2 4.28Å
804	E	97.9	Very high	98.4	Very high	137 Å²	137	35.3 Å²	35.3	64%	0.64	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.7	178.8	-67.4	73	-164.6	0	0	113.2	I802	I802-E804 HydrophobicContact CD1-CB 4.14Å; I802-E804 HydrophobicContact CG1-CB 4.37Å; I802-E804 PolarHBondContact O-N 3.34Å; I802-E804 VanDerWaalsContact O-N 3.16Å
805	N	98.2	Very high	98.4	Very high	109 Å²	109	35.4 Å²	35.4	58%	0.583	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-26	179.3	-74	-11.1	0	0	0	112.6	D801 I802 P803	D801-N805 HydrophobicContact CB-CB 4.19Å; D801-N805 WeakPolarHBondContact OD1-CB 3.3Å; D801-N805 PolarHBondContact OD1-ND2 3.44Å; I802-N805 HydrophobicContact CG1-CB 3.88Å; I802-N805 WeakPolarHBondContact CG1-ND2 3.47Å; I802-N805 PolarHBondContact O-N 3.3Å; P803-N805 VanDerWaalsContact C-N 3.26Å; P803-N805 PolarHBondContact O-N 2.87Å
806	N	98.4	Very high	98.3	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.107	17%	0.174	C	C	.	.			trans	-134.9	39	-170.3	-171	26.3	0	0	0	114.3	N724 M800 D801 I802 P803 Q808 G809 Y810	N724-N806 VanDerWaalsContact CA-ND2 3.31Å; N724-N806 WeakPolarHBondContact CA-ND2 3.32Å; N724-N806 VanDerWaalsContact CB-ND2 3.31Å; N724-N806 WeakPolarHBondContact CB-ND2 3.42Å; N724-N806 PolarHBondContact O-ND2 3.47Å; M800-N806 WeakPolarHBondContact O-CB 3.38Å; M800-N806 PolarHBondContact O-ND2 3.17Å; D801-N806 HydrophobicContact CB-CB 4.2Å; I802-N806 PolarHBondContact O-N 3.12Å; P803-N806 CarbonylContact O-C 3.51Å; P803-N806 PolarHBondContact O-N 3.11Å; N806-Q808 PolarHBondContact O-N 3.22Å; N806-G809 PolarHBondContact O-N 3.11Å; N806-G809 WeakPolarHBondContact OD1-CA 3.44Å; N806-G809 PolarHBondContact OD1-N 3.12Å; N806-G809 VanDerWaalsContact OD1-N 3.14Å; N806-Y810 HydrophobicContact CB-CD2 4.12Å; N806-Y810 HydrophobicContact CB-CE2 4.37Å; N806-Y810 WeakPolarHBondContact O-CD2 3.38Å; N806-Y810 PolarHBondContact O-N 3.27Å
807	Q	98.2	Very high	98.3	Very high	91 Å²	91	38.2 Å²	38.2	43%	0.425	19%	0.193	S	C	.	.	H	α-helix	trans	-46	-41.8	179.1	-175.5	65.6	27.7	0	0	113.2	P803 E811	P803-Q807 PolarHBondContact O-N 2.72Å; Q807-E811 PolarHBondContact NE2-OE1 3.47Å; Q807-E811 WeakPolarHBondContact O-CB 3.44Å; Q807-E811 WeakPolarHBondContact O-CG 3.28Å; Q807-E811 PolarHBondContact O-N 2.61Å
808	Q	98.1	Very high	98.2	Very high	155 Å²	155	39.8 Å²	39.8	72%	0.724	20%	0.2	S	C	*	.	H	α-helix	trans	-66.1	-42.7	178.7	-177	177.9	-16	0	0	113.1	N806 E811 A812	N806-Q808 PolarHBondContact O-N 3.22Å; Q808-E811 PolarHBondContact O-N 2.99Å; Q808-A812 VanDerWaalsContact O-CB 3.23Å; Q808-A812 WeakPolarHBondContact O-CB 3.44Å; Q808-A812 PolarHBondContact O-N 3.3Å
809	G	98.4	Very high	98.2	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-41.9	176.9	0	0	0	0	0	112.1	N724 M800 N806 E811 A812 G813	N724-G809 WeakPolarHBondContact O-CA 3.35Å; M800-G809 VanDerWaalsContact CE-O 3.29Å; M800-G809 WeakPolarHBondContact CE-O 3.41Å; N806-G809 PolarHBondContact O-N 3.11Å; N806-G809 WeakPolarHBondContact OD1-CA 3.44Å; N806-G809 PolarHBondContact OD1-N 3.12Å; N806-G809 VanDerWaalsContact OD1-N 3.14Å; G809-E811 PolarHBondContact O-N 2.87Å; G809-A812 PolarHBondContact O-N 3.44Å; G809-G813 PolarHBondContact O-N 3.32Å
810	Y	98.8	Very high	98.2	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-43	173.6	-88.3	-95.3	0	0	0	112.3	T336 W788 M789 T796 M800 D801 P803 N806 S814	T336-Y810 HydrophobicContact CG2-CE1 3.81Å; T336-Y810 PolarHBondContact OG1-OH 2.87Å; W788-Y810 HydrophobicContact CB-CD1 3.62Å; W788-Y810 HydrophobicContact CB-CE1 3.8Å; M789-Y810 HydrophobicContact CG-CD1 3.86Å; M789-Y810 HydrophobicContact CG-CE1 4.42Å; T796-Y810 HydrophobicContact CG2-CE1 3.78Å; T796-Y810 WeakPolarHBondContact CG2-OH 3.21Å; M800-Y810 HydrophobicContact CB-CD2 4.46Å; M800-Y810 HydrophobicContact CB-CE2 3.83Å; M800-Y810 WeakPolarHBondContact O-CE2 3.43Å; D801-Y810 VanDerWaalsContact O-CE2 3.27Å; D801-Y810 WeakPolarHBondContact O-CE2 3.44Å; D801-Y810 PolarHBondContact O-OH 2.98Å; P803-Y810 HydrophobicContact CB-CD2 4.5Å; P803-Y810 HydrophobicContact CB-CE1 4.48Å; P803-Y810 HydrophobicContact CB-CE2 4.43Å; P803-Y810 HydrophobicContact CG-CD1 4.38Å; P803-Y810 HydrophobicContact CG-CE1 3.9Å; P803-Y810 HydrophobicContact CG-CE2 4.28Å; N806-Y810 HydrophobicContact CB-CD2 4.12Å; N806-Y810 HydrophobicContact CB-CE2 4.37Å; N806-Y810 WeakPolarHBondContact O-CD2 3.38Å; N806-Y810 PolarHBondContact O-N 3.27Å; Y810-S814 WeakPolarHBondContact O-CB 3.4Å; Y810-S814 PolarHBondContact O-N 3.3Å; Y810-S814 PolarHBondContact O-OG 3.23Å
811	E	98.4	Very high	98.2	Very high	89 Å²	89	49.7 Å²	49.7	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-52.4	174.4	-78.1	178.8	-162.4	0	0	111.4	Q807 Q808 G809 G813 S814 L817 H818	Q807-E811 PolarHBondContact NE2-OE1 3.47Å; Q807-E811 WeakPolarHBondContact O-CB 3.44Å; Q807-E811 WeakPolarHBondContact O-CG 3.28Å; Q807-E811 PolarHBondContact O-N 2.61Å; Q808-E811 PolarHBondContact O-N 2.99Å; G809-E811 PolarHBondContact O-N 2.87Å; E811-G813 VanDerWaalsContact C-N 3.33Å; E811-G813 PolarHBondContact O-N 3.1Å; E811-S814 PolarHBondContact O-N 3.14Å; E811-S814 VanDerWaalsContact O-N 3.1Å; E811-L817 HydrophobicContact CG-CD1 4.21Å; E811-H818 PolarHBondContact O-NE2 2.85Å
812	A	98.4	Very high	98.2	Very high	24 Å²	24	48.4 Å²	48.4	20%	0.198	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-40	-177.6	0	0	0	0	0	113.2	Q728 Q808 G809	Q728-A812 HydrophobicContact CG-CB 4.35Å; Q808-A812 VanDerWaalsContact O-CB 3.23Å; Q808-A812 WeakPolarHBondContact O-CB 3.44Å; Q808-A812 PolarHBondContact O-N 3.3Å; G809-A812 PolarHBondContact O-N 3.44Å
813	G	97.9	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.5	177.1	0	0	0	0	0	115	F763 W788 G809 E811 V815	F763-G813 WeakPolarHBondContact CE2-O 2.98Å; W788-G813 VanDerWaalsContact CD1-C 3.5Å; W788-G813 PolarHBondContact NE1-O 3.22Å; G809-G813 PolarHBondContact O-N 3.32Å; E811-G813 VanDerWaalsContact C-N 3.33Å; E811-G813 PolarHBondContact O-N 3.1Å; G813-V815 PolarHBondContact O-N 3.03Å
814	S	98.6	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.			trans	-95.3	86.6	-177.3	-68	0	0	0	0	111.9	T786 W788 Y810 E811 A816 L817 H818	T786-S814 CarbonylContact O-C 3.55Å; W788-S814 PolarHBondContact N-OG 2.97Å; W788-S814 VanDerWaalsContact N-OG 3.12Å; Y810-S814 WeakPolarHBondContact O-CB 3.4Å; Y810-S814 PolarHBondContact O-N 3.3Å; Y810-S814 PolarHBondContact O-OG 3.23Å; E811-S814 PolarHBondContact O-N 3.14Å; E811-S814 VanDerWaalsContact O-N 3.1Å; S814-A816 PolarHBondContact O-N 3.15Å; S814-L817 WeakPolarHBondContact O-CB 3.48Å; S814-L817 PolarHBondContact O-N 3.24Å; S814-H818 PolarHBondContact O-CD2 3.29Å
815	V	97.7	Very high	98.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-50.8	-28.2	-176.6	-68.5	0	0	0	0	115.7	F763 L766 M767 I770 T786 G813 L817 H818	F763-V815 HydrophobicContact CD2-CG1 4.21Å; F763-V815 HydrophobicContact CE2-CG1 4.16Å; L766-V815 HydrophobicContact CB-CB 4.3Å; L766-V815 HydrophobicContact CB-CG1 3.95Å; L766-V815 HydrophobicContact CB-CG2 4.26Å; L766-V815 HydrophobicContact CD1-CG2 3.79Å; M767-V815 HydrophobicContact CG-CG1 3.8Å; M767-V815 HydrophobicContact SD-CG1 3.29Å; M767-V815 WeakPolarHBondContact SD-CG1 3.28Å; I770-V815 HydrophobicContact CD1-CB 3.79Å; I770-V815 HydrophobicContact CD1-CG1 3.68Å; T786-V815 HydrophobicContact CG2-CG2 4.05Å; T786-V815 PolarHBondContact O-N 2.78Å; G813-V815 PolarHBondContact O-N 3.03Å; V815-L817 PolarHBondContact O-N 3.45Å; V815-H818 PolarHBondContact O-N 2.73Å; V815-H818 VanDerWaalsContact O-N 3.15Å
816	A	97.6	Very high	98.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-68.6	-13.4	175.9	0	0	0	0	0	113.9	T786 V787 S814 F847 L848 Q851	T786-A816 WeakPolarHBondContact O-CB 3.38Å; T786-A816 PolarHBondContact O-N 2.81Å; T786-A816 VanDerWaalsContact O-N 3.08Å; V787-A816 HydrophobicContact CG2-CB 3.79Å; S814-A816 PolarHBondContact O-N 3.15Å; A816-F847 HydrophobicContact CB-CD1 3.61Å; A816-F847 HydrophobicContact CB-CE1 3.76Å; A816-L848 HydrophobicContact CB-CB 4.48Å; A816-L848 HydrophobicContact CB-CD1 4.29Å; A816-Q851 WeakPolarHBondContact O-CG 3.16Å
817	L	97.6	Very high	98.2	Very high	74 Å²	74	50.2 Å²	50.2	39%	0.387	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-91.4	-5.6	174.4	-52.7	-177.7	0	0	0	113.2	E811 S814 V815	E811-L817 HydrophobicContact CG-CD1 4.21Å; S814-L817 WeakPolarHBondContact O-CB 3.48Å; S814-L817 PolarHBondContact O-N 3.24Å; V815-L817 PolarHBondContact O-N 3.45Å
818	H	97.9	Very high	98.2	Very high	34 Å²	34	47.9 Å²	47.9	16%	0.157	24%	0.242	C	C	.	.			trans	-123.3	22	-176	-58.8	-75.3	0	0	0	112.9	I770 E811 S814 V815 E820 K821	I770-H818 HydrophobicContact CD1-CB 4.45Å; I770-H818 HydrophobicContact CG2-CB 4.47Å; E811-H818 PolarHBondContact O-NE2 2.85Å; S814-H818 PolarHBondContact O-CD2 3.29Å; V815-H818 PolarHBondContact O-N 2.73Å; V815-H818 VanDerWaalsContact O-N 3.15Å; H818-E820 VanDerWaalsContact CA-OE2 3.27Å; H818-E820 WeakPolarHBondContact CA-OE2 3.45Å; H818-E820 PolarHBondContact O-N 2.77Å; H818-E820 VanDerWaalsContact O-N 3.14Å; H818-K821 HydrophobicContact CB-CD 4.21Å; H818-K821 PolarHBondContact ND1-NZ 3.4Å; H818-K821 WeakPolarHBondContact O-CB 3.44Å; H818-K821 PolarHBondContact O-N 3.4Å
819	V	98.2	Very high	98.3	Very high	10 Å²	10	40.8 Å²	40.8	6%	0.061	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.8	-23.1	-175.2	-69.7	0	0	0	0	113.7	K821 L822 L848 Q851 L852 A855 K857	V819-K821 PolarHBondContact O-N 2.89Å; V819-L822 HydrophobicContact CG1-CD1 4.42Å; V819-L822 WeakPolarHBondContact O-CB 3.41Å; V819-L822 PolarHBondContact O-N 3.08Å; V819-L848 HydrophobicContact CG1-CD1 3.63Å; V819-Q851 HydrophobicContact CB-CB 4.43Å; V819-Q851 HydrophobicContact CG1-CB 3.83Å; V819-Q851 HydrophobicContact CG2-CB 3.83Å; V819-L852 HydrophobicContact CB-CD2 4.4Å; V819-L852 HydrophobicContact CG1-CD2 4.28Å; V819-L852 HydrophobicContact CG1-CG 4.31Å; V819-A855 HydrophobicContact CB-CB 4.44Å; V819-A855 HydrophobicContact CG2-CB 3.8Å; V819-K857 VanDerWaalsContact O-CE 3.24Å; V819-K857 WeakPolarHBondContact O-CE 3.35Å
820	E	97.9	Very high	98.3	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.9	174.7	75.5	-62.8	152.9	0	0	113	H818 K857	H818-E820 VanDerWaalsContact CA-OE2 3.27Å; H818-E820 WeakPolarHBondContact CA-OE2 3.45Å; H818-E820 PolarHBondContact O-N 2.77Å; H818-E820 VanDerWaalsContact O-N 3.14Å; E820-K857 WeakPolarHBondContact O-CE 3.27Å; E820-K857 PolarHBondContact O-NZ 3.34Å
821	K	98.3	Very high	98.3	Very high	106 Å²	106	40.7 Å²	40.7	46%	0.461	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-84.6	-16.5	177.3	-64.5	166.3	-164.4	153.4	0	113.8	I770 H818 V819	I770-K821 HydrophobicContact CG2-CB 3.98Å; I770-K821 HydrophobicContact CG2-CD 4.05Å; H818-K821 HydrophobicContact CB-CD 4.21Å; H818-K821 PolarHBondContact ND1-NZ 3.4Å; H818-K821 WeakPolarHBondContact O-CB 3.44Å; H818-K821 PolarHBondContact O-N 3.4Å; V819-K821 PolarHBondContact O-N 2.89Å
822	L	98.6	Very high	98.3	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	19%	0.189	C	C	.	.	S	Bend	trans	-64.8	154.4	173.9	-76.1	167.3	0	0	0	110.9	L769 I770 V819 L829 L852 K857	L769-L822 HydrophobicContact CB-CD2 4.13Å; L769-L822 HydrophobicContact CD2-CD2 3.88Å; L769-L822 HydrophobicContact CG-CD2 4.02Å; I770-L822 HydrophobicContact CD1-CD2 4.25Å; I770-L822 HydrophobicContact CD1-CG 4.2Å; I770-L822 HydrophobicContact CG1-CD2 3.6Å; I770-L822 HydrophobicContact CG1-CG 3.71Å; V819-L822 HydrophobicContact CG1-CD1 4.42Å; V819-L822 WeakPolarHBondContact O-CB 3.41Å; V819-L822 PolarHBondContact O-N 3.08Å; L822-L829 HydrophobicContact CD1-CD2 4.31Å; L822-L852 HydrophobicContact CD1-CD2 3.66Å; L822-K857 WeakPolarHBondContact O-CE 3.48Å; L822-K857 PolarHBondContact O-NZ 2.66Å
823	P	98.3	Very high	98.3	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	18%	0.179	C	C	.	.			trans	-56.4	152	-178.2	-26.2	34.3	0	0	0	114.2	L769 E825 R828 K857	L769-P823 HydrophobicContact CD1-CG 3.9Å; L769-P823 HydrophobicContact CD2-CG 4.12Å; L769-P823 HydrophobicContact CG-CG 3.91Å; P823-E825 WeakPolarHBondContact CB-OE2 3.45Å; P823-R828 HydrophobicContact CB-CB 4.25Å; P823-R828 HydrophobicContact CB-CG 4.49Å; P823-R828 HydrophobicContact CG-CB 4.18Å; P823-K857 WeakPolarHBondContact O-CD 3.42Å
824	N	98.6	Very high	98.4	Very high	117 Å²	117	35.5 Å²	35.5	63%	0.626	18%	0.181	S	C	*	.	S	Bend	trans	-87	-15.9	170.2	-67.5	-26.2	0	0	0	111.4	K857 P858	N824-K857 PolarHBondContact OD1-NZ 2.91Å; N824-P858 WeakPolarHBondContact O-CG 3.29Å
825	E	98.4	Very high	98.4	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	19%	0.194	S	C	.	.	S	Bend	trans	-82.4	131.5	-176.4	-43.2	88.9	88.9	0	0	111	P823 R828 P858	P823-E825 WeakPolarHBondContact CB-OE2 3.45Å; E825-R828 HydrophobicContact CB-CG 4.29Å; E825-R828 WeakPolarHBondContact OE1-CD 2.9Å; E825-R828 IonicContact OE1-CZ 3.27Å; E825-R828 IonicContact OE1-NE 2.67Å; E825-R828 IonicContact OE1-NH1 2.95Å; E825-R828 PolarHBondContact OE1-NH1 3.23Å; E825-P858 WeakPolarHBondContact O-CG 3.19Å
826	P	98.2	Very high	98.4	Very high	83 Å²	83	38.8 Å²	38.8	54%	0.539	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	167	178.2	30.3	-36.1	0	0	0	111.9	R828 P858	P826-R828 PolarHBondContact O-N 2.95Å; P826-R828 VanDerWaalsContact O-N 3.11Å; P826-P858 HydrophobicContact CB-CB 4Å; P826-P858 HydrophobicContact CB-CG 4.29Å
827	N	98.3	Very high	98.4	Very high	58 Å²	58	38.9 Å²	38.9	31%	0.31	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	4.8	178.4	-44.3	-32.3	0	0	0	115.2	Q860 F887 Y891	N827-Q860 PolarHBondContact OD1-NE2 3.22Å; N827-F887 WeakPolarHBondContact O-CZ 3.41Å; N827-Y891 HydrophobicContact CB-CD1 3.57Å; N827-Y891 HydrophobicContact CB-CD2 3.9Å; N827-Y891 HydrophobicContact CB-CE1 3.73Å; N827-Y891 HydrophobicContact CB-CE2 4.03Å; N827-Y891 HydrophobicContact CB-CG 3.66Å; N827-Y891 VanDerWaalsContact CG-CE1 3.48Å; N827-Y891 WeakPolarHBondContact ND2-CE1 3.5Å
828	R	98.7	Very high	98.4	Very high	41 Å²	41	35.4 Å²	35.4	16%	0.155	18%	0.177	C	C	.	.	S	Bend	trans	-84.2	-12.4	173	-62.5	-166.9	63.1	-177.2	-1.5	114.5	L769 P773 F776 K777 I778 A779 P823 E825 P826	L769-R828 WeakPolarHBondContact CD2-O 3.27Å; P773-R828 PolarHBondContact O-NH2 3.5Å; F776-R828 PolarHBondContact O-NH2 3.18Å; K777-R828 WeakPolarHBondContact O-CG 3.47Å; K777-R828 PolarHBondContact O-NE 3.19Å; K777-R828 PolarHBondContact O-NH2 2.83Å; I778-R828 CarbonylContact C-O 3.42Å; I778-R828 VanDerWaalsContact CA-O 3.26Å; I778-R828 WeakPolarHBondContact CA-O 3.47Å; A779-R828 PolarHBondContact N-O 3.41Å; P823-R828 HydrophobicContact CB-CB 4.25Å; P823-R828 HydrophobicContact CB-CG 4.49Å; P823-R828 HydrophobicContact CG-CB 4.18Å; E825-R828 HydrophobicContact CB-CG 4.29Å; E825-R828 WeakPolarHBondContact OE1-CD 2.9Å; E825-R828 IonicContact OE1-CZ 3.27Å; E825-R828 IonicContact OE1-NE 2.67Å; E825-R828 IonicContact OE1-NH1 2.95Å; E825-R828 PolarHBondContact OE1-NH1 3.23Å; P826-R828 PolarHBondContact O-N 2.95Å; P826-R828 VanDerWaalsContact O-N 3.11Å
829	L	98.9	Very high	98.3	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.3	-176.8	174.8	57.9	0	0	0	111.6	L766 L769 L822 I831 L852 Q860	L766-L829 HydrophobicContact CD2-CD1 3.53Å; L766-L829 HydrophobicContact CD2-CD2 4.48Å; L769-L829 HydrophobicContact CD2-CB 4.14Å; L769-L829 HydrophobicContact CD2-CD1 4.49Å; L822-L829 HydrophobicContact CD1-CD2 4.31Å; L829-I831 HydrophobicContact CD1-CG1 4.06Å; L829-I831 HydrophobicContact CD2-CD1 4.33Å; L829-I831 HydrophobicContact CD2-CG1 4.44Å; L829-I831 HydrophobicContact CG-CG1 4.14Å; L829-L852 HydrophobicContact CD2-CD1 4.25Å; L829-L852 HydrophobicContact CD2-CD2 4.45Å; L829-Q860 PolarHBondContact O-N 3.47Å
830	L	98.9	Very high	98.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.4	167	174.6	58.5	0	0	0	109.7	A779 I780 A781 L832 Q860 Q862 T883 F887	A779-L830 PolarHBondContact O-N 2.77Å; I780-L830 CarbonylContact C-O 3.55Å; I780-L830 WeakPolarHBondContact CA-O 3.43Å; I780-L830 HydrophobicContact CG1-CB 4.38Å; I780-L830 HydrophobicContact CG2-CB 4.39Å; I780-L830 HydrophobicContact CG2-CD2 4Å; I780-L830 HydrophobicContact CG2-CG 4.22Å; A781-L830 PolarHBondContact N-O 2.8Å; L830-L832 HydrophobicContact CD1-CD2 3.95Å; L830-L832 HydrophobicContact CD2-CD2 4.02Å; L830-L832 HydrophobicContact CG-CD2 3.82Å; L830-L832 HydrophobicContact CG-CG 4.3Å; L830-Q860 WeakPolarHBondContact CA-O 3.38Å; L830-Q860 HydrophobicContact CD1-CB 3.88Å; L830-Q862 HydrophobicContact CD1-CG 4.06Å; L830-T883 HydrophobicContact CD2-CG2 4.21Å; L830-F887 HydrophobicContact CB-CD1 4.28Å; L830-F887 HydrophobicContact CB-CD2 4.05Å; L830-F887 HydrophobicContact CB-CE1 3.91Å; L830-F887 HydrophobicContact CB-CE2 3.69Å; L830-F887 HydrophobicContact CB-CG 4.34Å; L830-F887 HydrophobicContact CB-CZ 3.61Å; L830-F887 HydrophobicContact CD2-CB 3.95Å; L830-F887 HydrophobicContact CD2-CD1 4.12Å; L830-F887 HydrophobicContact CD2-CD2 3.74Å; L830-F887 HydrophobicContact CD2-CE2 4.27Å; L830-F887 HydrophobicContact CD2-CG 3.66Å; L830-F887 HydrophobicContact CG-CD2 4.37Å; L830-F887 HydrophobicContact CG-CE2 4.45Å
831	I	98.9	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.6	175.6	-56.6	170.1	0	0	0	108.5	L829 T845 L848 V849 L852 Q860 L861 Q862	L829-I831 HydrophobicContact CD1-CG1 4.06Å; L829-I831 HydrophobicContact CD2-CD1 4.33Å; L829-I831 HydrophobicContact CD2-CG1 4.44Å; L829-I831 HydrophobicContact CG-CG1 4.14Å; I831-T845 HydrophobicContact CG2-CG2 3.78Å; I831-T845 VanDerWaalsContact CG2-OG1 3.31Å; I831-T845 WeakPolarHBondContact CG2-OG1 3.36Å; I831-L848 HydrophobicContact CD1-CD2 3.9Å; I831-L848 HydrophobicContact CD1-CG 4.46Å; I831-V849 HydrophobicContact CD1-CG2 4.46Å; I831-L852 HydrophobicContact CD1-CD1 4.08Å; I831-Q860 PolarHBondContact N-O 2.83Å; I831-L861 HydrophobicContact CB-CD1 3.98Å; I831-L861 HydrophobicContact CG2-CD1 3.88Å; I831-L861 WeakPolarHBondContact O-CA 3.34Å; I831-Q862 PolarHBondContact O-N 2.88Å
832	L	98.9	Very high	98.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.1	178.6	-52.2	176.3	0	0	0	108.9	W758 I780 A781 G782 A783 L830 Q862 Y864 Y880	W758-L832 HydrophobicContact CH2-CB 3.96Å; W758-L832 HydrophobicContact CZ2-CB 4.13Å; W758-L832 HydrophobicContact CZ2-CD1 3.9Å; I780-L832 HydrophobicContact CG2-CD1 3.79Å; I780-L832 HydrophobicContact CG2-CG 4.3Å; A781-L832 PolarHBondContact O-N 2.83Å; G782-L832 CarbonylContact C-O 3.54Å; G782-L832 WeakPolarHBondContact CA-O 3.41Å; A783-L832 PolarHBondContact N-O 2.85Å; L830-L832 HydrophobicContact CD1-CD2 3.95Å; L830-L832 HydrophobicContact CD2-CD2 4.02Å; L830-L832 HydrophobicContact CG-CD2 3.82Å; L830-L832 HydrophobicContact CG-CG 4.3Å; L832-Q862 WeakPolarHBondContact CA-O 3.26Å; L832-Q862 HydrophobicContact CD2-CB 3.75Å; L832-Q862 HydrophobicContact CD2-CG 4.14Å; L832-Y864 HydrophobicContact CB-CE2 4.18Å; L832-Y864 HydrophobicContact CD2-CE2 4.42Å; L832-Y880 HydrophobicContact CD1-CD2 3.83Å; L832-Y880 HydrophobicContact CD1-CE2 3.68Å
833	H	98.9	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	141.8	178	-137.6	126.4	0	0	0	112.8	D837 V840 F842 T845 Q862 I863 Y864	H833-D837 IonicContact NE2-OD2 3.48Å; H833-V840 PolarHBondContact NE2-O 2.92Å; H833-F842 HydrophobicContact CB-CD2 3.79Å; H833-F842 HydrophobicContact CB-CE2 3.88Å; H833-F842 AromaticContact CG-CD2 3.9Å; H833-T845 WeakPolarHBondContact ND1-CB 3.32Å; H833-T845 PolarHBondContact ND1-OG1 3.44Å; H833-Q862 PolarHBondContact N-O 3.34Å; H833-I863 WeakPolarHBondContact O-CA 3.36Å; H833-Y864 PolarHBondContact O-N 3.01Å
834	G	98.6	Very high	98.4	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.5	162.4	0	0	0	0	0	110.7	E867	G834-E867 CarbonylContact C-O 3.49Å; G834-E867 WeakPolarHBondContact CA-O 3.42Å
835	F	98.6	Very high	98.4	Very high	66 Å²	66	24.3 Å²	24.3	29%	0.289	12%	0.119	S	C	.	.	S	Bend	trans	-83.4	-23.4	-179.5	-168.8	-119.7	0	0	0	113	P319 L323 F842 I863 Y864 E867	P319-F835 HydrophobicContact CB-CD1 3.89Å; P319-F835 HydrophobicContact CB-CE1 3.66Å; P319-F835 HydrophobicContact CB-CZ 4.36Å; P319-F835 HydrophobicContact CG-CD1 3.96Å; P319-F835 HydrophobicContact CG-CE1 3.59Å; P319-F835 HydrophobicContact CG-CE2 4.35Å; P319-F835 HydrophobicContact CG-CG 4.49Å; P319-F835 HydrophobicContact CG-CZ 3.8Å; P319-F835 WeakPolarHBondContact CG-O 3.3Å; L323-F835 HydrophobicContact CD2-CD1 4.2Å; L323-F835 HydrophobicContact CD2-CE1 4.41Å; F835-F842 AromaticContact CD2-CD1 3.99Å; F835-F842 HydrophobicContact CD2-CD1 3.99Å; F835-F842 HydrophobicContact CD2-CD2 4.21Å; F835-F842 HydrophobicContact CD2-CE1 4.17Å; F835-F842 HydrophobicContact CD2-CE2 4.38Å; F835-F842 HydrophobicContact CD2-CG 4.03Å; F835-F842 HydrophobicContact CD2-CZ 4.37Å; F835-F842 HydrophobicContact CE2-CD1 4.01Å; F835-F842 HydrophobicContact CE2-CE1 4.13Å; F835-F842 HydrophobicContact CE2-CG 4.48Å; F835-I863 HydrophobicContact CB-CG2 3.77Å; F835-I863 HydrophobicContact CD2-CG2 4.15Å; F835-I863 HydrophobicContact CG-CG2 4.24Å; F835-Y864 PolarHBondContact N-O 2.96Å; F835-E867 PolarHBondContact N-O 2.9Å
836	L	97.9	Very high	98.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	-94.1	6.8	-177.7	-47.5	-175.5	0	0	0	112.7	V318 P319 P321 L323 E838 P865 E867 R868	V318-L836 VanDerWaalsContact CG1-O 3.3Å; V318-L836 WeakPolarHBondContact CG1-O 3.26Å; P319-L836 HydrophobicContact CB-CD2 3.95Å; P321-L836 HydrophobicContact CB-CD1 4.08Å; P321-L836 HydrophobicContact CG-CD1 4.23Å; L323-L836 HydrophobicContact CD2-CD2 4.06Å; L836-E838 PolarHBondContact O-N 2.8Å; L836-E838 VanDerWaalsContact O-N 3.11Å; L836-P865 WeakPolarHBondContact CD2-O 3.37Å; L836-P865 WeakPolarHBondContact CG-O 3.48Å; L836-E867 WeakPolarHBondContact CB-O 3.38Å; L836-E867 PolarHBondContact N-O 2.85Å; L836-R868 HydrophobicContact CB-CG 3.97Å; L836-R868 PolarHBondContact O-NH1 2.88Å
837	D	98.4	Very high	98.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	11%	0.11	C	C	.	.			trans	-61.2	110	-170.5	-161.9	-24.7	0	0	0	112.1	H833 N839 V840 H869	H833-D837 IonicContact NE2-OD2 3.48Å; D837-N839 WeakPolarHBondContact OD1-CA 3.36Å; D837-N839 PolarHBondContact OD1-N 3.17Å; D837-V840 WeakPolarHBondContact CB-O 3.49Å; D837-V840 PolarHBondContact OD1-N 3.22Å; D837-H869 WeakPolarHBondContact OD1-CB 3.43Å; D837-H869 IonicContact OD1-CG 3.73Å; D837-H869 IonicContact OD1-ND1 2.67Å; D837-H869 WeakPolarHBondContact OD2-CA 3.49Å; D837-H869 WeakPolarHBondContact OD2-CB 3.5Å; D837-H869 IonicContact OD2-CE1 2.89Å; D837-H869 IonicContact OD2-CG 2.89Å; D837-H869 PolarHBondContact OD2-N 3.17Å; D837-H869 IonicContact OD2-ND1 3.21Å; D837-H869 PolarHBondContact OD2-ND1 2.95Å
838	E	96.4	Very high	98.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.8	177.9	81.8	-64.5	166.9	0	0	113.5	L155 R159 V318 Y331 L836 H841 R868	L155-E838 HydrophobicContact CD2-CG 3.99Å; R159-E838 IonicContact CZ-OE1 3.65Å; R159-E838 IonicContact NH1-OE1 3.22Å; R159-E838 PolarHBondContact NH1-OE1 2.9Å; R159-E838 IonicContact NH2-OE1 2.78Å; R159-E838 PolarHBondContact NH2-OE1 3.13Å; V318-E838 HydrophobicContact CG1-CB 4.22Å; V318-E838 HydrophobicContact CG2-CB 4.16Å; Y331-E838 HydrophobicContact CE1-CB 3.97Å; Y331-E838 HydrophobicContact CE1-CG 4Å; Y331-E838 HydrophobicContact CE2-CB 4.31Å; L836-E838 PolarHBondContact O-N 2.8Å; L836-E838 VanDerWaalsContact O-N 3.11Å; E838-H841 PolarHBondContact O-CE1 2.83Å; E838-H841 VanDerWaalsContact O-CE1 3.29Å; E838-R868 VanDerWaalsContact OE2-CD 3.28Å; E838-R868 WeakPolarHBondContact OE2-CD 3.02Å; E838-R868 IonicContact OE2-CZ 2.71Å; E838-R868 IonicContact OE2-NE 3.22Å; E838-R868 IonicContact OE2-NH1 2.78Å; E838-R868 PolarHBondContact OE2-NH1 3.03Å
839	N	96.9	Very high	98.5	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-81.5	171	179.5	-1.4	0	0	0	110.1	E276 Y791 D837 H841 H869	E276-N839 PolarHBondContact OE1-ND2 2.87Å; Y791-N839 WeakPolarHBondContact CE2-OD1 3.46Å; Y791-N839 VanDerWaalsContact CZ-OD1 3.3Å; Y791-N839 PolarHBondContact OH-ND2 3.45Å; Y791-N839 PolarHBondContact OH-OD1 3.29Å; D837-N839 WeakPolarHBondContact OD1-CA 3.36Å; D837-N839 PolarHBondContact OD1-N 3.17Å; N839-H841 PolarHBondContact O-CE1 3.42Å; N839-H841 PolarHBondContact O-N 3.06Å; N839-H841 PolarHBondContact O-ND1 3.48Å; N839-H869 HydrophobicContact CB-CB 4.35Å
840	V	98.3	Very high	98.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	89.8	174.4	-180	0	0	0	0	106.4	V785 Y791 H833 D837 F842 H844 H869	V785-V840 HydrophobicContact CG2-CG1 4.05Å; V785-V840 HydrophobicContact CG2-CG2 3.89Å; Y791-V840 HydrophobicContact CD2-CG2 4.47Å; Y791-V840 HydrophobicContact CE2-CB 4.46Å; Y791-V840 HydrophobicContact CE2-CG2 3.61Å; H833-V840 PolarHBondContact NE2-O 2.92Å; D837-V840 WeakPolarHBondContact CB-O 3.49Å; D837-V840 PolarHBondContact OD1-N 3.22Å; V840-F842 PolarHBondContact O-N 2.97Å; V840-H844 VanDerWaalsContact CG1-CD2 3.45Å; V840-H844 WeakPolarHBondContact CG1-CD2 3.26Å; V840-H869 WeakPolarHBondContact CG2-CE1 3.31Å
841	H	98	Very high	98.5	Very high	19 Å²	19	23.5 Å²	23.5	9%	0.088	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	142.2	-171.1	-51.8	-33.9	0	0	0	112.8	I316 Y333 E838 N839 F843 H844	I316-H841 WeakPolarHBondContact CD1-CE1 3.38Å; I316-H841 WeakPolarHBondContact CD1-NE2 3.44Å; Y333-H841 AromaticContact CD1-NE2 3.62Å; Y333-H841 AromaticContact CD2-CE1 3.61Å; Y333-H841 AromaticContact CD2-NE2 3.57Å; Y333-H841 AromaticContact CE1-NE2 3.4Å; Y333-H841 WeakPolarHBondContact CE1-NE2 3.44Å; Y333-H841 AromaticContact CE2-CE1 3.34Å; Y333-H841 WeakPolarHBondContact CE2-CE1 3.2Å; Y333-H841 AromaticContact CE2-NE2 3.33Å; Y333-H841 VanDerWaalsContact CE2-NE2 3.33Å; Y333-H841 WeakPolarHBondContact CE2-NE2 3.37Å; Y333-H841 AromaticContact CG-NE2 3.69Å; Y333-H841 AromaticContact CZ-CE1 3.7Å; Y333-H841 AromaticContact CZ-NE2 3.23Å; E838-H841 PolarHBondContact O-CE1 2.83Å; E838-H841 VanDerWaalsContact O-CE1 3.29Å; N839-H841 PolarHBondContact O-CE1 3.42Å; N839-H841 PolarHBondContact O-N 3.06Å; N839-H841 PolarHBondContact O-ND1 3.48Å; H841-F843 HydrophobicContact CB-CB 4.04Å; H841-F843 PolarHBondContact O-N 3.31Å; H841-H844 WeakPolarHBondContact O-CB 3.34Å; H841-H844 PolarHBondContact O-CD2 3.07Å; H841-H844 VanDerWaalsContact O-CD2 3.27Å; H841-H844 PolarHBondContact O-N 3.19Å
842	F	98.7	Very high	98.5	Very high	33 Å²	33	23.5 Å²	23.5	15%	0.145	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-20	173.2	-172.1	-97.4	0	0	0	113.3	H833 F835 V840 H844 T845 N846 I863	H833-F842 HydrophobicContact CB-CD2 3.79Å; H833-F842 HydrophobicContact CB-CE2 3.88Å; H833-F842 AromaticContact CG-CD2 3.9Å; F835-F842 AromaticContact CD2-CD1 3.99Å; F835-F842 HydrophobicContact CD2-CD1 3.99Å; F835-F842 HydrophobicContact CD2-CD2 4.21Å; F835-F842 HydrophobicContact CD2-CE1 4.17Å; F835-F842 HydrophobicContact CD2-CE2 4.38Å; F835-F842 HydrophobicContact CD2-CG 4.03Å; F835-F842 HydrophobicContact CD2-CZ 4.37Å; F835-F842 HydrophobicContact CE2-CD1 4.01Å; F835-F842 HydrophobicContact CE2-CE1 4.13Å; F835-F842 HydrophobicContact CE2-CG 4.48Å; V840-F842 PolarHBondContact O-N 2.97Å; F842-H844 PolarHBondContact O-N 3.48Å; F842-T845 HydrophobicContact CE2-CG2 4.04Å; F842-T845 HydrophobicContact CZ-CG2 4.15Å; F842-T845 PolarHBondContact O-N 3.32Å; F842-N846 HydrophobicContact CD1-CB 4.29Å; F842-N846 HydrophobicContact CE1-CB 4.19Å; F842-N846 WeakPolarHBondContact O-CB 3.48Å; F842-N846 PolarHBondContact O-N 3.04Å; F842-I863 HydrophobicContact CE2-CD1 4.16Å; F842-I863 HydrophobicContact CE2-CG1 4Å; F842-I863 HydrophobicContact CE2-CG2 4.25Å; F842-I863 HydrophobicContact CZ-CD1 3.68Å; F842-I863 HydrophobicContact CZ-CG1 4.02Å
843	F	98.6	Very high	98.5	Very high	97 Å²	97	28.7 Å²	28.7	43%	0.425	14%	0.143	S	C	.	.	H	α-helix	trans	-44.3	-43	164.5	171.3	-99.7	0	0	0	113.2	A790 H841 T845 N846 F847	A790-F843 HydrophobicContact CB-CD1 4.01Å; A790-F843 HydrophobicContact CB-CE1 3.73Å; H841-F843 HydrophobicContact CB-CB 4.04Å; H841-F843 PolarHBondContact O-N 3.31Å; F843-T845 PolarHBondContact O-N 3.34Å; F843-N846 PolarHBondContact O-N 3.49Å; F843-F847 HydrophobicContact CD2-CB 4.49Å; F843-F847 HydrophobicContact CE1-CB 4.24Å; F843-F847 HydrophobicContact CE1-CG 4.5Å; F843-F847 HydrophobicContact CE2-CB 4.04Å; F843-F847 HydrophobicContact CE2-CD2 4.15Å; F843-F847 HydrophobicContact CE2-CG 4.38Å; F843-F847 HydrophobicContact CZ-CB 3.9Å; F843-F847 AromaticContact CZ-CD2 3.89Å; F843-F847 HydrophobicContact CZ-CD2 3.89Å; F843-F847 AromaticContact CZ-CG 3.95Å; F843-F847 HydrophobicContact CZ-CG 3.95Å; F843-F847 VanDerWaalsContact O-CB 3.26Å; F843-F847 WeakPolarHBondContact O-CB 3.47Å; F843-F847 PolarHBondContact O-N 3.39Å
844	H	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-46.5	-179.3	-71.8	-66.9	0	0	0	112.5	P784 T786 V787 V840 H841 F842 L848	P784-H844 WeakPolarHBondContact O-CB 3.16Å; T786-H844 HydrophobicContact CG2-CB 4.05Å; T786-H844 WeakPolarHBondContact CG2-O 3.35Å; T786-H844 PolarHBondContact N-ND1 2.9Å; T786-H844 VanDerWaalsContact OG1-C 3.23Å; T786-H844 WeakPolarHBondContact OG1-CA 3.36Å; T786-H844 VanDerWaalsContact OG1-CB 3.28Å; T786-H844 WeakPolarHBondContact OG1-CB 3.37Å; T786-H844 PolarHBondContact OG1-O 2.93Å; V787-H844 PolarHBondContact O-CE1 2.82Å; V787-H844 VanDerWaalsContact O-CE1 3.31Å; V840-H844 VanDerWaalsContact CG1-CD2 3.45Å; V840-H844 WeakPolarHBondContact CG1-CD2 3.26Å; H841-H844 WeakPolarHBondContact O-CB 3.34Å; H841-H844 PolarHBondContact O-CD2 3.07Å; H841-H844 VanDerWaalsContact O-CD2 3.27Å; H841-H844 PolarHBondContact O-N 3.19Å; F842-H844 PolarHBondContact O-N 3.48Å; H844-L848 VanDerWaalsContact O-CB 3.3Å; H844-L848 WeakPolarHBondContact O-CB 3.48Å; H844-L848 PolarHBondContact O-N 2.7Å; H844-L848 VanDerWaalsContact O-N 3.08Å
845	T	98.9	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-42.4	174.7	-82.1	0	0	0	0	111.7	I831 H833 F842 F843 F847 L848 V849 L861	I831-T845 HydrophobicContact CG2-CG2 3.78Å; I831-T845 VanDerWaalsContact CG2-OG1 3.31Å; I831-T845 WeakPolarHBondContact CG2-OG1 3.36Å; H833-T845 WeakPolarHBondContact ND1-CB 3.32Å; H833-T845 PolarHBondContact ND1-OG1 3.44Å; F842-T845 HydrophobicContact CE2-CG2 4.04Å; F842-T845 HydrophobicContact CZ-CG2 4.15Å; F842-T845 PolarHBondContact O-N 3.32Å; F843-T845 PolarHBondContact O-N 3.34Å; T845-F847 PolarHBondContact O-N 2.9Å; T845-L848 PolarHBondContact O-N 3.24Å; T845-V849 HydrophobicContact CG2-CG2 4.43Å; T845-V849 WeakPolarHBondContact O-CB 3.38Å; T845-V849 VanDerWaalsContact O-CG2 3.29Å; T845-V849 WeakPolarHBondContact O-CG2 3.26Å; T845-V849 PolarHBondContact O-N 3.44Å; T845-L861 HydrophobicContact CG2-CD1 3.63Å; T845-L861 HydrophobicContact CG2-CD2 4.44Å
846	N	98.8	Very high	98.4	Very high	98 Å²	98	39.4 Å²	39.4	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-40	-179.9	-173.1	49.6	0	0	0	112.6	F842 F843 S850	F842-N846 HydrophobicContact CD1-CB 4.29Å; F842-N846 HydrophobicContact CE1-CB 4.19Å; F842-N846 WeakPolarHBondContact O-CB 3.48Å; F842-N846 PolarHBondContact O-N 3.04Å; F843-N846 PolarHBondContact O-N 3.49Å; N846-S850 PolarHBondContact O-N 2.95Å
847	F	98.8	Very high	98.5	Very high	58 Å²	58	40.3 Å²	40.3	25%	0.254	21%	0.213	S	C	.	.	H	α-helix	trans	-69.5	-46.8	175.9	-173.9	-99.7	0	0	0	111.3	V787 A816 F843 T845 V849 S850 Q851	V787-F847 HydrophobicContact CG2-CD1 3.59Å; V787-F847 HydrophobicContact CG2-CE1 3.67Å; A816-F847 HydrophobicContact CB-CD1 3.61Å; A816-F847 HydrophobicContact CB-CE1 3.76Å; F843-F847 HydrophobicContact CD2-CB 4.49Å; F843-F847 HydrophobicContact CE1-CB 4.24Å; F843-F847 HydrophobicContact CE1-CG 4.5Å; F843-F847 HydrophobicContact CE2-CB 4.04Å; F843-F847 HydrophobicContact CE2-CD2 4.15Å; F843-F847 HydrophobicContact CE2-CG 4.38Å; F843-F847 HydrophobicContact CZ-CB 3.9Å; F843-F847 AromaticContact CZ-CD2 3.89Å; F843-F847 HydrophobicContact CZ-CD2 3.89Å; F843-F847 AromaticContact CZ-CG 3.95Å; F843-F847 HydrophobicContact CZ-CG 3.95Å; F843-F847 VanDerWaalsContact O-CB 3.26Å; F843-F847 WeakPolarHBondContact O-CB 3.47Å; F843-F847 PolarHBondContact O-N 3.39Å; T845-F847 PolarHBondContact O-N 2.9Å; F847-V849 VanDerWaalsContact C-N 3.3Å; F847-V849 PolarHBondContact O-N 3.43Å; F847-S850 WeakPolarHBondContact O-CA 3.29Å; F847-S850 WeakPolarHBondContact O-CB 3.32Å; F847-S850 PolarHBondContact O-N 2.9Å; F847-Q851 HydrophobicContact CD1-CG 4.22Å; F847-Q851 HydrophobicContact CE1-CG 3.93Å; F847-Q851 HydrophobicContact CZ-CG 4.25Å; F847-Q851 WeakPolarHBondContact O-CG 3.35Å; F847-Q851 PolarHBondContact O-N 3.31Å
848	L	98.9	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.6	-44.8	173.8	175.5	62	0	0	0	111.4	L766 T786 A816 V819 I831 H844 T845 S850 Q851 L852	L766-L848 HydrophobicContact CD1-CD2 3.7Å; L766-L848 HydrophobicContact CD2-CD2 4.4Å; T786-L848 HydrophobicContact CG2-CB 3.99Å; T786-L848 HydrophobicContact CG2-CD2 3.8Å; T786-L848 HydrophobicContact CG2-CG 4.44Å; A816-L848 HydrophobicContact CB-CB 4.48Å; A816-L848 HydrophobicContact CB-CD1 4.29Å; V819-L848 HydrophobicContact CG1-CD1 3.63Å; I831-L848 HydrophobicContact CD1-CD2 3.9Å; I831-L848 HydrophobicContact CD1-CG 4.46Å; H844-L848 VanDerWaalsContact O-CB 3.3Å; H844-L848 WeakPolarHBondContact O-CB 3.48Å; H844-L848 PolarHBondContact O-N 2.7Å; H844-L848 VanDerWaalsContact O-N 3.08Å; T845-L848 PolarHBondContact O-N 3.24Å; L848-S850 VanDerWaalsContact C-N 3.35Å; L848-S850 PolarHBondContact O-N 2.94Å; L848-Q851 PolarHBondContact O-N 3.29Å; L848-L852 HydrophobicContact CD1-CD1 4.23Å; L848-L852 HydrophobicContact CD1-CG 4.2Å; L848-L852 HydrophobicContact CG-CD1 3.9Å; L848-L852 HydrophobicContact CG-CG 4.36Å; L848-L852 WeakPolarHBondContact O-CB 3.35Å; L848-L852 VanDerWaalsContact O-CG 3.27Å; L848-L852 WeakPolarHBondContact O-CG 3.18Å; L848-L852 PolarHBondContact O-N 3.07Å
849	V	98.9	Very high	98.6	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-41.6	174.2	164.1	0	0	0	0	111.9	I831 T845 F847 Q851 L852 I853 Y859 L861	I831-V849 HydrophobicContact CD1-CG2 4.46Å; T845-V849 HydrophobicContact CG2-CG2 4.43Å; T845-V849 WeakPolarHBondContact O-CB 3.38Å; T845-V849 VanDerWaalsContact O-CG2 3.29Å; T845-V849 WeakPolarHBondContact O-CG2 3.26Å; T845-V849 PolarHBondContact O-N 3.44Å; F847-V849 VanDerWaalsContact C-N 3.3Å; F847-V849 PolarHBondContact O-N 3.43Å; V849-Q851 VanDerWaalsContact C-N 3.32Å; V849-Q851 PolarHBondContact O-N 3.16Å; V849-L852 PolarHBondContact O-N 2.92Å; V849-I853 HydrophobicContact CG1-CD1 3.77Å; V849-I853 WeakPolarHBondContact O-CB 3.5Å; V849-I853 WeakPolarHBondContact O-CD1 3.31Å; V849-I853 VanDerWaalsContact O-CG1 3.24Å; V849-I853 WeakPolarHBondContact O-CG1 3.46Å; V849-I853 PolarHBondContact O-N 2.97Å; V849-Y859 HydrophobicContact CG1-CE1 4.23Å; V849-Y859 HydrophobicContact CG1-CE2 4.27Å; V849-Y859 WeakPolarHBondContact CG1-OH 3.15Å; V849-Y859 HydrophobicContact CG2-CD2 4.22Å; V849-Y859 HydrophobicContact CG2-CE2 3.82Å; V849-L861 HydrophobicContact CG2-CD2 4.4Å
850	S	98.8	Very high	98.7	Very high	45 Å²	45	48.6 Å²	48.6	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-41	174.5	-163.9	0	0	0	0	112.3	N846 F847 L848 R854	N846-S850 PolarHBondContact O-N 2.95Å; F847-S850 WeakPolarHBondContact O-CA 3.29Å; F847-S850 WeakPolarHBondContact O-CB 3.32Å; F847-S850 PolarHBondContact O-N 2.9Å; L848-S850 VanDerWaalsContact C-N 3.35Å; L848-S850 PolarHBondContact O-N 2.94Å; S850-R854 WeakPolarHBondContact O-CD 3.32Å; S850-R854 VanDerWaalsContact O-CG 3.23Å; S850-R854 WeakPolarHBondContact O-CG 3.39Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 VanDerWaalsContact O-N 3.13Å; S850-R854 PolarHBondContact OG-NE 3.5Å
851	Q	98.8	Very high	98.7	Very high	48 Å²	48	51 Å²	51	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-73.2	-40.7	179.2	-57.7	-59.5	-3.4	0	0	112.2	A816 V819 F847 L848 V849 I853 R854 A855	A816-Q851 WeakPolarHBondContact O-CG 3.16Å; V819-Q851 HydrophobicContact CB-CB 4.43Å; V819-Q851 HydrophobicContact CG1-CB 3.83Å; V819-Q851 HydrophobicContact CG2-CB 3.83Å; F847-Q851 HydrophobicContact CD1-CG 4.22Å; F847-Q851 HydrophobicContact CE1-CG 3.93Å; F847-Q851 HydrophobicContact CZ-CG 4.25Å; F847-Q851 WeakPolarHBondContact O-CG 3.35Å; F847-Q851 PolarHBondContact O-N 3.31Å; L848-Q851 PolarHBondContact O-N 3.29Å; V849-Q851 VanDerWaalsContact C-N 3.32Å; V849-Q851 PolarHBondContact O-N 3.16Å; Q851-I853 VanDerWaalsContact C-N 3.33Å; Q851-I853 PolarHBondContact O-N 3.14Å; Q851-R854 PolarHBondContact O-N 2.65Å; Q851-R854 VanDerWaalsContact O-N 3.16Å; Q851-R854 VanDerWaalsContact OE1-CD 3.29Å; Q851-A855 WeakPolarHBondContact O-CB 3.19Å; Q851-A855 PolarHBondContact O-N 2.99Å
852	L	98.8	Very high	98.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-55.9	-46.2	172.1	-72.8	166	0	0	0	111.6	V819 L822 L829 I831 L848 V849 R854 A855 G856 K857 Y859	V819-L852 HydrophobicContact CB-CD2 4.4Å; V819-L852 HydrophobicContact CG1-CD2 4.28Å; V819-L852 HydrophobicContact CG1-CG 4.31Å; L822-L852 HydrophobicContact CD1-CD2 3.66Å; L829-L852 HydrophobicContact CD2-CD1 4.25Å; L829-L852 HydrophobicContact CD2-CD2 4.45Å; I831-L852 HydrophobicContact CD1-CD1 4.08Å; L848-L852 HydrophobicContact CD1-CD1 4.23Å; L848-L852 HydrophobicContact CD1-CG 4.2Å; L848-L852 HydrophobicContact CG-CD1 3.9Å; L848-L852 HydrophobicContact CG-CG 4.36Å; L848-L852 WeakPolarHBondContact O-CB 3.35Å; L848-L852 VanDerWaalsContact O-CG 3.27Å; L848-L852 WeakPolarHBondContact O-CG 3.18Å; L848-L852 PolarHBondContact O-N 3.07Å; V849-L852 PolarHBondContact O-N 2.92Å; L852-R854 PolarHBondContact O-N 3.37Å; L852-A855 CarbonylContact O-C 3.53Å; L852-A855 PolarHBondContact O-N 3.35Å; L852-G856 PolarHBondContact O-N 2.97Å; L852-K857 HydrophobicContact CB-CB 4.28Å; L852-K857 HydrophobicContact CD2-CB 3.54Å; L852-K857 HydrophobicContact CD2-CG 4.19Å; L852-K857 PolarHBondContact O-N 3.41Å; L852-Y859 HydrophobicContact CB-CD1 4.18Å; L852-Y859 HydrophobicContact CD1-CD1 4.03Å; L852-Y859 HydrophobicContact CD1-CG 4.09Å
853	I	98.8	Very high	98.8	Very high	109 Å²	109	55.1 Å²	55.1	56%	0.559	29%	0.287	S	S	*	.	H	α-helix	trans	-61.6	-42.7	176.6	-70	166	0	0	0	111.2	V849 Q851 A855 G856 Y859	V849-I853 HydrophobicContact CG1-CD1 3.77Å; V849-I853 WeakPolarHBondContact O-CB 3.5Å; V849-I853 WeakPolarHBondContact O-CD1 3.31Å; V849-I853 VanDerWaalsContact O-CG1 3.24Å; V849-I853 WeakPolarHBondContact O-CG1 3.46Å; V849-I853 PolarHBondContact O-N 2.97Å; Q851-I853 VanDerWaalsContact C-N 3.33Å; Q851-I853 PolarHBondContact O-N 3.14Å; I853-A855 VanDerWaalsContact C-N 3.34Å; I853-A855 PolarHBondContact O-N 2.91Å; I853-G856 PolarHBondContact O-N 3Å; I853-Y859 HydrophobicContact CG1-CE1 4.22Å
854	R	98.6	Very high	98.8	Very high	189 Å²	189	50.7 Å²	50.7	71%	0.713	27%	0.267	S	S	*	.	H	α-helix	trans	-64.7	-36.7	177	-70.7	161.8	-173.8	-83.1	2.4	112.7	S850 Q851 L852 G856	S850-R854 WeakPolarHBondContact O-CD 3.32Å; S850-R854 VanDerWaalsContact O-CG 3.23Å; S850-R854 WeakPolarHBondContact O-CG 3.39Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 VanDerWaalsContact O-N 3.13Å; S850-R854 PolarHBondContact OG-NE 3.5Å; Q851-R854 PolarHBondContact O-N 2.65Å; Q851-R854 VanDerWaalsContact O-N 3.16Å; Q851-R854 VanDerWaalsContact OE1-CD 3.29Å; L852-R854 PolarHBondContact O-N 3.37Å; R854-G856 VanDerWaalsContact C-N 3.32Å
855	A	98.6	Very high	98.7	Very high	41 Å²	41	53.7 Å²	53.7	34%	0.339	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.1	177.9	0	0	0	0	0	114	V819 Q851 L852 I853 K857	V819-A855 HydrophobicContact CB-CB 4.44Å; V819-A855 HydrophobicContact CG2-CB 3.8Å; Q851-A855 WeakPolarHBondContact O-CB 3.19Å; Q851-A855 PolarHBondContact O-N 2.99Å; L852-A855 CarbonylContact O-C 3.53Å; L852-A855 PolarHBondContact O-N 3.35Å; I853-A855 VanDerWaalsContact C-N 3.34Å; I853-A855 PolarHBondContact O-N 2.91Å; A855-K857 VanDerWaalsContact C-N 3.3Å; A855-K857 HydrophobicContact CB-CG 3.78Å; A855-K857 PolarHBondContact O-N 2.9Å
856	G	98.4	Very high	98.5	Very high	65 Å²	65	58.4 Å²	58.4	67%	0.67	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	21.7	-179.3	0	0	0	0	0	114.7	L852 I853 R854	L852-G856 PolarHBondContact O-N 2.97Å; I853-G856 PolarHBondContact O-N 3Å; R854-G856 VanDerWaalsContact C-N 3.32Å
857	K	98.7	Very high	98.5	Very high	22 Å²	22	54 Å²	54	10%	0.096	29%	0.288	C	S	.	.			trans	-89.5	136	-172.2	-59.8	-68.8	179.6	168.6	0	112.1	V819 E820 L822 P823 N824 L852 A855	V819-K857 VanDerWaalsContact O-CE 3.24Å; V819-K857 WeakPolarHBondContact O-CE 3.35Å; E820-K857 WeakPolarHBondContact O-CE 3.27Å; E820-K857 PolarHBondContact O-NZ 3.34Å; L822-K857 WeakPolarHBondContact O-CE 3.48Å; L822-K857 PolarHBondContact O-NZ 2.66Å; P823-K857 WeakPolarHBondContact O-CD 3.42Å; N824-K857 PolarHBondContact OD1-NZ 2.91Å; L852-K857 HydrophobicContact CB-CB 4.28Å; L852-K857 HydrophobicContact CD2-CB 3.54Å; L852-K857 HydrophobicContact CD2-CG 4.19Å; L852-K857 PolarHBondContact O-N 3.41Å; A855-K857 VanDerWaalsContact C-N 3.3Å; A855-K857 HydrophobicContact CB-CG 3.78Å; A855-K857 PolarHBondContact O-N 2.9Å
858	P	98.6	Very high	98.4	Very high	40 Å²	40	52 Å²	52	26%	0.26	28%	0.279	S	S	.	.			trans	-78.1	150.2	175.9	33.6	-35.2	0	0	0	112	N824 E825 P826	N824-P858 WeakPolarHBondContact O-CG 3.29Å; E825-P858 WeakPolarHBondContact O-CG 3.19Å; P826-P858 HydrophobicContact CB-CB 4Å; P826-P858 HydrophobicContact CB-CG 4.29Å
859	Y	98.8	Very high	98.3	Very high	80 Å²	80	53.5 Å²	53.5	31%	0.314	29%	0.286	S	S	.	.			trans	-152.9	158.4	172.9	65.3	-83.8	0	0	0	110.1	V849 L852 I853 L861	V849-Y859 HydrophobicContact CG1-CE1 4.23Å; V849-Y859 HydrophobicContact CG1-CE2 4.27Å; V849-Y859 WeakPolarHBondContact CG1-OH 3.15Å; V849-Y859 HydrophobicContact CG2-CD2 4.22Å; V849-Y859 HydrophobicContact CG2-CE2 3.82Å; L852-Y859 HydrophobicContact CB-CD1 4.18Å; L852-Y859 HydrophobicContact CD1-CD1 4.03Å; L852-Y859 HydrophobicContact CD1-CG 4.09Å; I853-Y859 HydrophobicContact CG1-CE1 4.22Å; Y859-L861 HydrophobicContact CD2-CB 3.99Å; Y859-L861 HydrophobicContact CE2-CB 3.9Å
860	Q	98.9	Very high	98	Very high	59 Å²	59	54.2 Å²	54.2	28%	0.276	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.1	159.6	-60.5	-169.3	12.1	0	0	108.8	N827 L829 L830 I831 F887 Y891	N827-Q860 PolarHBondContact OD1-NE2 3.22Å; L829-Q860 PolarHBondContact O-N 3.47Å; L830-Q860 WeakPolarHBondContact CA-O 3.38Å; L830-Q860 HydrophobicContact CD1-CB 3.88Å; I831-Q860 PolarHBondContact N-O 2.83Å; Q860-F887 HydrophobicContact CB-CE2 4.45Å; Q860-F887 HydrophobicContact CG-CE2 4.34Å; Q860-Y891 PolarHBondContact NE2-OH 3.06Å
861	L	98.9	Very high	97.6	Very high	52 Å²	52	54.8 Å²	54.8	27%	0.272	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.9	-177.3	170.7	64.2	0	0	0	109.8	I831 T845 V849 Y859 I863	I831-L861 HydrophobicContact CB-CD1 3.98Å; I831-L861 HydrophobicContact CG2-CD1 3.88Å; I831-L861 WeakPolarHBondContact O-CA 3.34Å; T845-L861 HydrophobicContact CG2-CD1 3.63Å; T845-L861 HydrophobicContact CG2-CD2 4.44Å; V849-L861 HydrophobicContact CG2-CD2 4.4Å; Y859-L861 HydrophobicContact CD2-CB 3.99Å; Y859-L861 HydrophobicContact CE2-CB 3.9Å; L861-I863 HydrophobicContact CD1-CG1 4.33Å; L861-I863 HydrophobicContact CD2-CD1 4.31Å; L861-I863 HydrophobicContact CD2-CG1 4.32Å; L861-I863 HydrophobicContact CG-CG1 4.16Å
862	Q	98.8	Very high	97.1	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.9	168.6	-60.6	-84.5	64.5	0	0	109.4	L830 I831 L832 H833 T883	L830-Q862 HydrophobicContact CD1-CG 4.06Å; I831-Q862 PolarHBondContact O-N 2.88Å; L832-Q862 WeakPolarHBondContact CA-O 3.26Å; L832-Q862 HydrophobicContact CD2-CB 3.75Å; L832-Q862 HydrophobicContact CD2-CG 4.14Å; H833-Q862 PolarHBondContact N-O 3.34Å; Q862-T883 HydrophobicContact CG-CG2 4.07Å
863	I	98.7	Very high	96.6	Very high	73 Å²	73	58.7 Å²	58.7	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.6	-179.6	-56.1	176.2	0	0	0	107.7	H833 F835 F842 L861 P865	H833-I863 WeakPolarHBondContact O-CA 3.36Å; F835-I863 HydrophobicContact CB-CG2 3.77Å; F835-I863 HydrophobicContact CD2-CG2 4.15Å; F835-I863 HydrophobicContact CG-CG2 4.24Å; F842-I863 HydrophobicContact CE2-CD1 4.16Å; F842-I863 HydrophobicContact CE2-CG1 4Å; F842-I863 HydrophobicContact CE2-CG2 4.25Å; F842-I863 HydrophobicContact CZ-CD1 3.68Å; F842-I863 HydrophobicContact CZ-CG1 4.02Å; L861-I863 HydrophobicContact CD1-CG1 4.33Å; L861-I863 HydrophobicContact CD2-CD1 4.31Å; L861-I863 HydrophobicContact CD2-CG1 4.32Å; L861-I863 HydrophobicContact CG-CG1 4.16Å; I863-P865 WeakPolarHBondContact O-CD 3.47Å
864	Y	98.5	Very high	96.1	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	96.6	172.1	-59.3	-88.2	0	0	0	108.3	W758 L832 H833 F835 N866 E867 Y880	W758-Y864 HydrophobicContact CH2-CE2 4.36Å; L832-Y864 HydrophobicContact CB-CE2 4.18Å; L832-Y864 HydrophobicContact CD2-CE2 4.42Å; H833-Y864 PolarHBondContact O-N 3.01Å; F835-Y864 PolarHBondContact N-O 2.96Å; Y864-N866 PolarHBondContact O-N 3.37Å; Y864-N866 VanDerWaalsContact O-N 3.16Å; Y864-E867 HydrophobicContact CG-CG 4.49Å; Y864-E867 PolarHBondContact O-N 3.34Å; Y864-Y880 VanDerWaalsContact OH-CA 3.32Å; Y864-Y880 WeakPolarHBondContact OH-CA 3.29Å; Y864-Y880 WeakPolarHBondContact OH-CB 3.35Å
865	P	97.6	Very high	95.8	Very high	63 Å²	63	54.1 Å²	54.1	41%	0.409	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.6	-164	-25.2	36.6	0	0	0	115	L323 L836 I863	L323-P865 HydrophobicContact CD1-CB 3.71Å; L836-P865 WeakPolarHBondContact CD2-O 3.37Å; L836-P865 WeakPolarHBondContact CG-O 3.48Å; I863-P865 WeakPolarHBondContact O-CD 3.47Å
866	N	95.8	Very high	95.6	Very high	99 Å²	99	53 Å²	53	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.6	-173.8	-57.3	-16.3	0	0	0	113	L323 Y864	L323-N866 WeakPolarHBondContact CD1-OD1 3.46Å; Y864-N866 PolarHBondContact O-N 3.37Å; Y864-N866 VanDerWaalsContact O-N 3.16Å
867	E	97.3	Very high	95.4	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.028	26%	0.262	C	S	.	.			trans	-106.2	153.7	-173.8	-47.9	-57.4	142	0	0	111.9	G834 F835 L836 Y864 I871 R872 C873 S876	G834-E867 CarbonylContact C-O 3.49Å; G834-E867 WeakPolarHBondContact CA-O 3.42Å; F835-E867 PolarHBondContact N-O 2.9Å; L836-E867 WeakPolarHBondContact CB-O 3.38Å; L836-E867 PolarHBondContact N-O 2.85Å; Y864-E867 HydrophobicContact CG-CG 4.49Å; Y864-E867 PolarHBondContact O-N 3.34Å; E867-I871 HydrophobicContact CG-CG1 4.46Å; E867-I871 HydrophobicContact CG-CG2 4.34Å; E867-I871 WeakPolarHBondContact OE2-CA 3.39Å; E867-R872 PolarHBondContact OE2-N 3.41Å; E867-C873 WeakPolarHBondContact OE1-CB 3.45Å; E867-C873 PolarHBondContact OE2-N 3.17Å; E867-S876 WeakPolarHBondContact OE1-CB 3.24Å; E867-S876 PolarHBondContact OE1-OG 3Å
868	R	97	Very high	95.1	Very high	14 Å²	14	51 Å²	51	5%	0.053	27%	0.266	C	S	.	.			trans	-100.7	-148.8	176.4	-64	-173.9	166.3	-65.6	-27.1	109.1	E158 L836 E838 S870	E158-R868 WeakPolarHBondContact OE1-CD 3.19Å; L836-R868 HydrophobicContact CB-CG 3.97Å; L836-R868 PolarHBondContact O-NH1 2.88Å; E838-R868 VanDerWaalsContact OE2-CD 3.28Å; E838-R868 WeakPolarHBondContact OE2-CD 3.02Å; E838-R868 IonicContact OE2-CZ 2.71Å; E838-R868 IonicContact OE2-NE 3.22Å; E838-R868 IonicContact OE2-NH1 2.78Å; E838-R868 PolarHBondContact OE2-NH1 3.03Å; R868-S870 PolarHBondContact N-O 2.73Å; R868-S870 PolarHBondContact O-N 2.78Å
869	H	97.4	Very high	95.1	Very high	32 Å²	32	52.8 Å²	52.8	15%	0.148	27%	0.271	C	S	.	.	S	Bend	trans	-62.2	-21.1	167.5	-150.8	59.2	0	0	0	113.2	S759 D837 N839 V840	S759-H869 VanDerWaalsContact CB-NE2 3.26Å; S759-H869 WeakPolarHBondContact CB-NE2 3.44Å; S759-H869 PolarHBondContact OG-NE2 3.18Å; D837-H869 WeakPolarHBondContact OD1-CB 3.43Å; D837-H869 IonicContact OD1-CG 3.73Å; D837-H869 IonicContact OD1-ND1 2.67Å; D837-H869 WeakPolarHBondContact OD2-CA 3.49Å; D837-H869 WeakPolarHBondContact OD2-CB 3.5Å; D837-H869 IonicContact OD2-CE1 2.89Å; D837-H869 IonicContact OD2-CG 2.89Å; D837-H869 PolarHBondContact OD2-N 3.17Å; D837-H869 IonicContact OD2-ND1 3.21Å; D837-H869 PolarHBondContact OD2-ND1 2.95Å; N839-H869 HydrophobicContact CB-CB 4.35Å; V840-H869 WeakPolarHBondContact CG2-CE1 3.31Å
870	S	91.3	Very high	95	Very high	32 Å²	32	49.2 Å²	49.2	22%	0.224	26%	0.257	C	S	.	.	S	Bend	trans	-108.4	140.6	171.9	70.1	0	0	0	0	111.7	E158 R868 R872	E158-S870 PolarHBondContact OE1-OG 2.78Å; E158-S870 PolarHBondContact OE2-OG 2.84Å; R868-S870 PolarHBondContact N-O 2.73Å; R868-S870 PolarHBondContact O-N 2.78Å; S870-R872 PolarHBondContact OG-NE 3.43Å; S870-R872 VanDerWaalsContact OG-NE 3.15Å; S870-R872 PolarHBondContact OG-NH2 3.16Å
871	I	91.6	Very high	94.9	Very high	56 Å²	56	47.1 Å²	47.1	29%	0.287	25%	0.247	S	C	.	.			trans	-87.5	113.1	167.3	-58.8	177	0	0	0	107.8	W758 E867 Y880	W758-I871 HydrophobicContact CH2-CD1 3.82Å; W758-I871 HydrophobicContact CZ2-CD1 3.93Å; E867-I871 HydrophobicContact CG-CG1 4.46Å; E867-I871 HydrophobicContact CG-CG2 4.34Å; E867-I871 WeakPolarHBondContact OE2-CA 3.39Å; I871-Y880 HydrophobicContact CD1-CD1 4.28Å; I871-Y880 HydrophobicContact CD1-CG 4.22Å
872	R	87.8	Confident	94.9	Very high	86 Å²	86	45 Å²	45	33%	0.325	24%	0.236	S	C	.	.			trans	-108.5	-35.7	-178.7	-63.2	-176.9	-179.7	-91.8	-6.1	112.6	R157 E158 L162 E867 S870 P874	R157-R872 PolarHBondContact O-NH2 2.91Å; E158-R872 IonicContact OE1-CZ 2.8Å; E158-R872 IonicContact OE1-NE 2.79Å; E158-R872 PolarHBondContact OE1-NE 3.21Å; E158-R872 IonicContact OE1-NH2 3.67Å; E158-R872 PolarHBondContact OE1-NH2 3.26Å; E158-R872 IonicContact OE2-CZ 3.84Å; E158-R872 IonicContact OE2-NE 2.7Å; E158-R872 IonicContact OE2-NH2 3.18Å; E158-R872 PolarHBondContact OE2-NH2 3.22Å; L162-R872 PolarHBondContact O-NH1 3.38Å; E867-R872 PolarHBondContact OE2-N 3.41Å; S870-R872 PolarHBondContact OG-NE 3.43Å; S870-R872 VanDerWaalsContact OG-NE 3.15Å; S870-R872 PolarHBondContact OG-NH2 3.16Å; R872-P874 WeakPolarHBondContact O-CD 3.27Å
873	C	89.2	Confident	94.8	Very high	45 Å²	45	42.4 Å²	42.4	30%	0.304	23%	0.225	S	C	.	.	S	Bend	trans	-69.9	124.2	178.7	-166.5	0	0	0	0	109.6	E867 E875 S876 G877	E867-C873 WeakPolarHBondContact OE1-CB 3.45Å; E867-C873 PolarHBondContact OE2-N 3.17Å; C873-E875 PolarHBondContact O-N 3.42Å; C873-E875 PolarHBondContact SG-OE2 3.45Å; C873-E875 VanDerWaalsContact SG-OE2 3.37Å; C873-S876 PolarHBondContact O-N 3Å; C873-G877 PolarHBondContact O-N 3.04Å; C873-G877 VanDerWaalsContact O-N 3.11Å
874	P	87.6	Confident	94.8	Very high	80 Å²	80	39.2 Å²	39.2	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-53.7	-43.3	179.7	-27.1	34.8	0	0	0	112.6	R70 R872 G877 E878	R70-P874 PolarHBondContact NH1-O 3.01Å; R872-P874 WeakPolarHBondContact O-CD 3.27Å; P874-G877 CarbonylContact O-C 3.53Å; P874-G877 WeakPolarHBondContact O-CA 3.47Å; P874-G877 PolarHBondContact O-N 3.36Å; P874-G877 VanDerWaalsContact O-N 3.12Å; P874-E878 WeakPolarHBondContact O-CG 3.44Å; P874-E878 PolarHBondContact O-N 2.88Å
875	E	92.3	Very high	94.8	Very high	123 Å²	123	39.4 Å²	39.4	58%	0.575	21%	0.209	S	C	*	.	H	α-helix	trans	-61.8	-43.9	-179.9	-68.7	85.3	158.8	0	0	112.2	C873 G877 E878 H879	C873-E875 PolarHBondContact O-N 3.42Å; C873-E875 PolarHBondContact SG-OE2 3.45Å; C873-E875 VanDerWaalsContact SG-OE2 3.37Å; E875-G877 VanDerWaalsContact C-N 3.29Å; E875-G877 PolarHBondContact O-N 3.11Å; E875-E878 PolarHBondContact O-N 3.45Å; E875-H879 WeakPolarHBondContact O-CB 3.49Å; E875-H879 PolarHBondContact O-N 2.77Å
876	S	95.1	Very high	94.9	Very high	18 Å²	18	39.2 Å²	39.2	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-41.1	172.2	-64.8	0	0	0	0	111.2	E867 C873 Y880	E867-S876 WeakPolarHBondContact OE1-CB 3.24Å; E867-S876 PolarHBondContact OE1-OG 3Å; C873-S876 PolarHBondContact O-N 3Å; S876-Y880 VanDerWaalsContact O-CB 3.28Å; S876-Y880 WeakPolarHBondContact O-CB 3.47Å; S876-Y880 PolarHBondContact O-N 2.8Å
877	G	93	Very high	95	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-35.6	176.7	0	0	0	0	0	113.9	R70 C873 P874 E875 E881	R70-G877 PolarHBondContact NH2-O 3.02Å; C873-G877 PolarHBondContact O-N 3.04Å; C873-G877 VanDerWaalsContact O-N 3.11Å; P874-G877 CarbonylContact O-C 3.53Å; P874-G877 WeakPolarHBondContact O-CA 3.47Å; P874-G877 PolarHBondContact O-N 3.36Å; P874-G877 VanDerWaalsContact O-N 3.12Å; E875-G877 VanDerWaalsContact C-N 3.29Å; E875-G877 PolarHBondContact O-N 3.11Å; G877-E881 WeakPolarHBondContact O-CG 3.24Å; G877-E881 PolarHBondContact O-N 2.84Å; G877-E881 VanDerWaalsContact O-N 3.13Å
878	E	93.3	Very high	95.1	Very high	37 Å²	37	34.5 Å²	34.5	17%	0.173	18%	0.178	C	C	.	.	H	α-helix	trans	-70.9	-47.2	173.9	-68.3	-175.3	146.2	0	0	111	I66 H67 R70 P874 E875 Y880 E881 I882	I66-E878 HydrophobicContact CG2-CB 4.37Å; I66-E878 HydrophobicContact CG2-CG 4.16Å; H67-E878 IonicContact CE1-OE1 2.63Å; H67-E878 IonicContact CE1-OE2 2.86Å; H67-E878 PolarHBondContact CE1-OE2 2.89Å; H67-E878 VanDerWaalsContact ND1-CD 3.3Å; H67-E878 IonicContact ND1-OE1 3.19Å; H67-E878 PolarHBondContact ND1-OE1 3.3Å; H67-E878 IonicContact ND1-OE2 2.7Å; H67-E878 PolarHBondContact ND1-OE2 3.27Å; R70-E878 WeakPolarHBondContact CD-OE1 3.35Å; R70-E878 VanDerWaalsContact CZ-CG 3.45Å; R70-E878 IonicContact NH1-OE1 2.8Å; P874-E878 WeakPolarHBondContact O-CG 3.44Å; P874-E878 PolarHBondContact O-N 2.88Å; E875-E878 PolarHBondContact O-N 3.45Å; E878-Y880 VanDerWaalsContact C-N 3.25Å; E878-Y880 PolarHBondContact O-N 3.01Å; E878-E881 PolarHBondContact O-N 3.35Å; E878-E881 VanDerWaalsContact O-N 3.12Å; E878-I882 HydrophobicContact CB-CD1 4.47Å; E878-I882 VanDerWaalsContact O-CD1 3.32Å; E878-I882 WeakPolarHBondContact O-CD1 3.35Å; E878-I882 WeakPolarHBondContact O-CG1 3.47Å; E878-I882 PolarHBondContact O-N 2.99Å
879	H	97.8	Very high	95.1	Very high	78 Å²	78	34.2 Å²	34.2	36%	0.361	18%	0.177	S	C	.	.	H	α-helix	trans	-58	-39.6	176	-175.8	-94.6	0	0	0	112	W59 E875 T883	W59-H879 AromaticContact CH2-NE2 4Å; W59-H879 AromaticContact CZ2-CD2 3.81Å; W59-H879 AromaticContact CZ2-NE2 3.78Å; E875-H879 WeakPolarHBondContact O-CB 3.49Å; E875-H879 PolarHBondContact O-N 2.77Å; H879-T883 VanDerWaalsContact O-CB 3.29Å; H879-T883 WeakPolarHBondContact O-CB 3.25Å; H879-T883 PolarHBondContact O-N 3.5Å; H879-T883 PolarHBondContact O-OG1 3.38Å
880	Y	97.8	Very high	95.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-53.2	170.9	158.5	-115.4	0	0	0	112.8	H756 W758 L832 Y864 I871 S876 E878 I882 T883 L884	H756-Y880 PolarHBondContact NE2-OH 2.95Å; W758-Y880 AromaticContact CE2-CE2 3.9Å; W758-Y880 AromaticContact CZ2-CD2 3.8Å; W758-Y880 HydrophobicContact CZ2-CD2 3.8Å; W758-Y880 AromaticContact CZ2-CE2 3.64Å; W758-Y880 HydrophobicContact CZ2-CE2 3.64Å; W758-Y880 HydrophobicContact CZ2-CG 4.39Å; W758-Y880 AromaticContact NE1-CE2 3.53Å; W758-Y880 AromaticContact NE1-CZ 3.33Å; W758-Y880 VanDerWaalsContact NE1-CZ 3.33Å; W758-Y880 PolarHBondContact NE1-OH 2.99Å; L832-Y880 HydrophobicContact CD1-CD2 3.83Å; L832-Y880 HydrophobicContact CD1-CE2 3.68Å; Y864-Y880 VanDerWaalsContact OH-CA 3.32Å; Y864-Y880 WeakPolarHBondContact OH-CA 3.29Å; Y864-Y880 WeakPolarHBondContact OH-CB 3.35Å; I871-Y880 HydrophobicContact CD1-CD1 4.28Å; I871-Y880 HydrophobicContact CD1-CG 4.22Å; S876-Y880 VanDerWaalsContact O-CB 3.28Å; S876-Y880 WeakPolarHBondContact O-CB 3.47Å; S876-Y880 PolarHBondContact O-N 2.8Å; E878-Y880 VanDerWaalsContact C-N 3.25Å; E878-Y880 PolarHBondContact O-N 3.01Å; Y880-I882 VanDerWaalsContact C-N 3.35Å; Y880-I882 PolarHBondContact O-N 3.31Å; Y880-T883 PolarHBondContact O-N 3.12Å; Y880-L884 HydrophobicContact CE2-CB 4.48Å; Y880-L884 HydrophobicContact CE2-CD2 4.41Å; Y880-L884 WeakPolarHBondContact O-CB 3.19Å; Y880-L884 PolarHBondContact O-N 2.95Å
881	E	96.4	Very high	95.5	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-37.3	-177.4	-74.4	172.2	169.2	0	0	112.3	I66 R70 R692 G877 E878 L884 L885	I66-E881 HydrophobicContact CD1-CB 3.76Å; I66-E881 HydrophobicContact CG1-CB 4.13Å; I66-E881 HydrophobicContact CG2-CB 4.33Å; R70-E881 IonicContact CZ-OE2 3.06Å; R70-E881 VanDerWaalsContact CZ-OE2 3.27Å; R70-E881 IonicContact NE-OE2 2.77Å; R70-E881 PolarHBondContact NE-OE2 3.07Å; R70-E881 VanDerWaalsContact NH2-CD 3.29Å; R70-E881 IonicContact NH2-OE1 3.92Å; R70-E881 IonicContact NH2-OE2 3.34Å; R70-E881 PolarHBondContact NH2-OE2 3.14Å; R692-E881 WeakPolarHBondContact CD-OE1 3.24Å; R692-E881 IonicContact CZ-OE1 2.68Å; R692-E881 IonicContact NE-OE1 3.07Å; R692-E881 IonicContact NH1-OE1 3.15Å; R692-E881 PolarHBondContact NH1-OE1 2.88Å; G877-E881 WeakPolarHBondContact O-CG 3.24Å; G877-E881 PolarHBondContact O-N 2.84Å; G877-E881 VanDerWaalsContact O-N 3.13Å; E878-E881 PolarHBondContact O-N 3.35Å; E878-E881 VanDerWaalsContact O-N 3.12Å; E881-L884 PolarHBondContact O-N 3.44Å; E881-L885 WeakPolarHBondContact O-CG 3.15Å; E881-L885 PolarHBondContact O-N 2.86Å
882	I	97.9	Very high	95.7	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-43.9	174.2	-61.4	157.9	0	0	0	110.7	W59 L62 R63 I66 E878 Y880 L884 L885 H886	W59-I882 HydrophobicContact CD2-CG2 3.67Å; W59-I882 HydrophobicContact CE3-CG2 3.9Å; W59-I882 HydrophobicContact CG-CG2 4.29Å; W59-I882 HydrophobicContact CH2-CG2 3.9Å; W59-I882 HydrophobicContact CZ2-CB 4.32Å; W59-I882 HydrophobicContact CZ2-CG2 3.66Å; W59-I882 HydrophobicContact CZ3-CG2 4.02Å; L62-I882 HydrophobicContact CB-CG2 4.03Å; R63-I882 HydrophobicContact CB-CD1 3.66Å; R63-I882 HydrophobicContact CB-CG1 4.28Å; R63-I882 HydrophobicContact CG-CD1 3.73Å; I66-I882 HydrophobicContact CB-CG1 4.31Å; I66-I882 HydrophobicContact CG1-CG1 4.04Å; E878-I882 HydrophobicContact CB-CD1 4.47Å; E878-I882 VanDerWaalsContact O-CD1 3.32Å; E878-I882 WeakPolarHBondContact O-CD1 3.35Å; E878-I882 WeakPolarHBondContact O-CG1 3.47Å; E878-I882 PolarHBondContact O-N 2.99Å; Y880-I882 VanDerWaalsContact C-N 3.35Å; Y880-I882 PolarHBondContact O-N 3.31Å; I882-L884 PolarHBondContact O-N 3.32Å; I882-L885 PolarHBondContact O-N 2.7Å; I882-H886 VanDerWaalsContact O-CB 3.26Å; I882-H886 WeakPolarHBondContact O-CB 3.37Å; I882-H886 PolarHBondContact O-N 3.21Å
883	T	98.4	Very high	96.1	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-44.8	176.1	-59.4	0	0	0	0	111.3	L830 Q862 H879 Y880 H886 F887	L830-T883 HydrophobicContact CD2-CG2 4.21Å; Q862-T883 HydrophobicContact CG-CG2 4.07Å; H879-T883 VanDerWaalsContact O-CB 3.29Å; H879-T883 WeakPolarHBondContact O-CB 3.25Å; H879-T883 PolarHBondContact O-N 3.5Å; H879-T883 PolarHBondContact O-OG1 3.38Å; Y880-T883 PolarHBondContact O-N 3.12Å; T883-H886 PolarHBondContact O-N 3.03Å; T883-F887 WeakPolarHBondContact O-CB 3.5Å; T883-F887 PolarHBondContact O-N 3.27Å
884	L	98.4	Very high	96.4	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-51.8	178	172.1	59.2	0	0	0	111	I780 Y880 E881 I882 H886 F887 L888	I780-L884 HydrophobicContact CD1-CD1 3.44Å; I780-L884 VanDerWaalsContact CD1-CD1 3.44Å; I780-L884 HydrophobicContact CG2-CD1 4.37Å; Y880-L884 HydrophobicContact CE2-CB 4.48Å; Y880-L884 HydrophobicContact CE2-CD2 4.41Å; Y880-L884 WeakPolarHBondContact O-CB 3.19Å; Y880-L884 PolarHBondContact O-N 2.95Å; E881-L884 PolarHBondContact O-N 3.44Å; I882-L884 PolarHBondContact O-N 3.32Å; L884-H886 VanDerWaalsContact C-N 3.35Å; L884-H886 PolarHBondContact O-N 2.63Å; L884-F887 PolarHBondContact O-N 3.42Å; L884-L888 HydrophobicContact CD1-CD1 3.77Å; L884-L888 HydrophobicContact CD1-CG 4.27Å; L884-L888 HydrophobicContact CG-CD1 4.07Å; L884-L888 WeakPolarHBondContact O-CD1 3.45Å; L884-L888 VanDerWaalsContact O-CG 3.26Å; L884-L888 WeakPolarHBondContact O-CG 3.31Å; L884-L888 PolarHBondContact O-N 3.49Å
885	L	98.3	Very high	96.9	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-40.2	177.7	-67.6	-178.2	0	0	0	112.5	L62 I66 L696 L699 E881 I882 L888 Q889	L62-L885 HydrophobicContact CD1-CB 4.11Å; L62-L885 HydrophobicContact CD2-CB 3.97Å; L62-L885 HydrophobicContact CD2-CD1 4.2Å; I66-L885 HydrophobicContact CD1-CD1 3.74Å; I66-L885 HydrophobicContact CG1-CD1 4.06Å; L696-L885 HydrophobicContact CD2-CD2 3.51Å; L696-L885 HydrophobicContact CG-CD2 4.26Å; L699-L885 HydrophobicContact CD1-CD1 3.77Å; L699-L885 HydrophobicContact CD1-CD2 3.74Å; L699-L885 HydrophobicContact CD1-CG 4.33Å; E881-L885 WeakPolarHBondContact O-CG 3.15Å; E881-L885 PolarHBondContact O-N 2.86Å; I882-L885 PolarHBondContact O-N 2.7Å; L885-L888 PolarHBondContact O-N 2.9Å; L885-Q889 PolarHBondContact O-N 3.47Å
886	H	98.5	Very high	97.2	Very high	60 Å²	60	26.4 Å²	26.4	28%	0.278	13%	0.127	S	C	.	.	H	α-helix	trans	-66.3	-42.7	178.9	-173.4	-77.1	0	0	0	112.3	W59 L62 I882 T883 L884 L888 Q889 E890	W59-H886 HydrophobicContact CE3-CB 4.11Å; W59-H886 AromaticContact CE3-CD2 3.8Å; W59-H886 AromaticContact CE3-CG 3.95Å; W59-H886 HydrophobicContact CZ3-CB 4Å; L62-H886 HydrophobicContact CD1-CB 3.73Å; I882-H886 VanDerWaalsContact O-CB 3.26Å; I882-H886 WeakPolarHBondContact O-CB 3.37Å; I882-H886 PolarHBondContact O-N 3.21Å; T883-H886 PolarHBondContact O-N 3.03Å; L884-H886 VanDerWaalsContact C-N 3.35Å; L884-H886 PolarHBondContact O-N 2.63Å; H886-L888 VanDerWaalsContact C-N 3.35Å; H886-Q889 WeakPolarHBondContact O-CG 3.47Å; H886-E890 WeakPolarHBondContact O-CG 3.1Å; H886-E890 PolarHBondContact O-N 2.99Å
887	F	98.7	Very high	97.3	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.022	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-38.6	178.4	-171.6	-91.2	0	0	0	111.4	I778 I780 N827 L830 Q860 T883 L884 Y891	I778-F887 HydrophobicContact CB-CE1 4.14Å; I778-F887 HydrophobicContact CD1-CD1 3.91Å; I778-F887 HydrophobicContact CD1-CE1 3.75Å; I778-F887 HydrophobicContact CG1-CE1 4.25Å; I780-F887 HydrophobicContact CD1-CD1 3.7Å; I780-F887 HydrophobicContact CD1-CE1 4.25Å; I780-F887 HydrophobicContact CG1-CD1 3.91Å; I780-F887 HydrophobicContact CG1-CE1 3.97Å; N827-F887 WeakPolarHBondContact O-CZ 3.41Å; L830-F887 HydrophobicContact CB-CD1 4.28Å; L830-F887 HydrophobicContact CB-CD2 4.05Å; L830-F887 HydrophobicContact CB-CE1 3.91Å; L830-F887 HydrophobicContact CB-CE2 3.69Å; L830-F887 HydrophobicContact CB-CG 4.34Å; L830-F887 HydrophobicContact CB-CZ 3.61Å; L830-F887 HydrophobicContact CD2-CB 3.95Å; L830-F887 HydrophobicContact CD2-CD1 4.12Å; L830-F887 HydrophobicContact CD2-CD2 3.74Å; L830-F887 HydrophobicContact CD2-CE2 4.27Å; L830-F887 HydrophobicContact CD2-CG 3.66Å; L830-F887 HydrophobicContact CG-CD2 4.37Å; L830-F887 HydrophobicContact CG-CE2 4.45Å; Q860-F887 HydrophobicContact CB-CE2 4.45Å; Q860-F887 HydrophobicContact CG-CE2 4.34Å; T883-F887 WeakPolarHBondContact O-CB 3.5Å; T883-F887 PolarHBondContact O-N 3.27Å; L884-F887 PolarHBondContact O-N 3.42Å; F887-Y891 HydrophobicContact CD1-CD2 4.17Å; F887-Y891 AromaticContact CD2-CD2 3.45Å; F887-Y891 HydrophobicContact CD2-CD2 3.45Å; F887-Y891 VanDerWaalsContact CD2-CD2 3.45Å; F887-Y891 AromaticContact CD2-CE2 3.47Å; F887-Y891 HydrophobicContact CD2-CE2 3.47Å; F887-Y891 VanDerWaalsContact CD2-CE2 3.47Å; F887-Y891 HydrophobicContact CE1-CD2 4.23Å; F887-Y891 AromaticContact CE2-CD2 3.48Å; F887-Y891 HydrophobicContact CE2-CD2 3.48Å; F887-Y891 VanDerWaalsContact CE2-CD2 3.48Å; F887-Y891 AromaticContact CE2-CE2 3.6Å; F887-Y891 HydrophobicContact CE2-CE2 3.6Å; F887-Y891 AromaticContact CG-CD2 3.81Å; F887-Y891 HydrophobicContact CG-CD2 3.81Å; F887-Y891 HydrophobicContact CG-CE2 4.2Å; F887-Y891 AromaticContact CZ-CD2 3.89Å; F887-Y891 HydrophobicContact CZ-CD2 3.89Å; F887-Y891 HydrophobicContact CZ-CE2 4.43Å; F887-Y891 WeakPolarHBondContact O-CB 3.23Å; F887-Y891 VanDerWaalsContact O-CD2 3.25Å; F887-Y891 WeakPolarHBondContact O-CD2 3.42Å; F887-Y891 PolarHBondContact O-N 3.49Å
888	L	98.6	Very high	97.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-52.3	174.7	-69.9	164.6	0	0	0	111.9	V669 L696 Y701 A754 I778 I780 L884 L885 H886 E890 Y891 L892	V669-L888 HydrophobicContact CG2-CD1 4.15Å; V669-L888 HydrophobicContact CG2-CD2 3.87Å; L696-L888 HydrophobicContact CD2-CD1 3.45Å; L696-L888 VanDerWaalsContact CD2-CD1 3.45Å; Y701-L888 HydrophobicContact CE1-CB 4.02Å; Y701-L888 WeakPolarHBondContact OH-CB 3.42Å; A754-L888 HydrophobicContact CB-CD2 3.86Å; I778-L888 HydrophobicContact CD1-CD2 4.01Å; I780-L888 HydrophobicContact CD1-CD2 4.2Å; I780-L888 HydrophobicContact CD1-CG 4.25Å; L884-L888 HydrophobicContact CD1-CD1 3.77Å; L884-L888 HydrophobicContact CD1-CG 4.27Å; L884-L888 HydrophobicContact CG-CD1 4.07Å; L884-L888 WeakPolarHBondContact O-CD1 3.45Å; L884-L888 VanDerWaalsContact O-CG 3.26Å; L884-L888 WeakPolarHBondContact O-CG 3.31Å; L884-L888 PolarHBondContact O-N 3.49Å; L885-L888 PolarHBondContact O-N 2.9Å; H886-L888 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.27Å; L888-E890 VanDerWaalsContact O-N 3.17Å; L888-Y891 PolarHBondContact O-N 2.94Å; L888-L892 HydrophobicContact CD2-CD2 3.91Å; L888-L892 WeakPolarHBondContact O-CB 3.47Å; L888-L892 PolarHBondContact O-N 3.27Å
889	Q	97.9	Very high	97.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-20.5	-174.9	73.2	171.7	10.2	0	0	114.1	V54 K56 H57 Y701 L885 H886	V54-Q889 HydrophobicContact CG2-CB 4.2Å; K56-Q889 WeakPolarHBondContact CE-O 3.26Å; K56-Q889 PolarHBondContact NZ-O 3.48Å; H57-Q889 PolarHBondContact O-NE2 3.13Å; Y701-Q889 WeakPolarHBondContact OH-CA 3.42Å; Y701-Q889 PolarHBondContact OH-N 2.88Å; Y701-Q889 VanDerWaalsContact OH-N 3.13Å; L885-Q889 PolarHBondContact O-N 3.47Å; H886-Q889 WeakPolarHBondContact O-CG 3.47Å
890	E	98	Very high	97.9	Very high	76 Å²	76	23.8 Å²	23.8	36%	0.355	11%	0.109	S	C	.	.	H	α-helix	trans	-92.7	-24.8	179.7	-69.4	-50.3	118.4	0	0	113.7	K56 H886 L888	K56-E890 WeakPolarHBondContact CD-OE1 3.19Å; K56-E890 IonicContact NZ-OE1 2.84Å; K56-E890 PolarHBondContact NZ-OE1 2.96Å; K56-E890 IonicContact NZ-OE2 3.8Å; K56-E890 PolarHBondContact NZ-OE2 3.31Å; H886-E890 WeakPolarHBondContact O-CG 3.1Å; H886-E890 PolarHBondContact O-N 2.99Å; L888-E890 PolarHBondContact O-N 3.27Å; L888-E890 VanDerWaalsContact O-N 3.17Å
891	Y	98.2	Very high	97.9	Very high	80 Å²	80	25.4 Å²	25.4	31%	0.314	12%	0.117	S	C	.	.	H	α-helix	trans	-131.2	4.6	-167.4	-48.7	-48.7	0	0	0	115.6	I778 N827 Q860 F887 L888	I778-Y891 WeakPolarHBondContact CG2-O 3.35Å; N827-Y891 HydrophobicContact CB-CD1 3.57Å; N827-Y891 HydrophobicContact CB-CD2 3.9Å; N827-Y891 HydrophobicContact CB-CE1 3.73Å; N827-Y891 HydrophobicContact CB-CE2 4.03Å; N827-Y891 HydrophobicContact CB-CG 3.66Å; N827-Y891 VanDerWaalsContact CG-CE1 3.48Å; N827-Y891 WeakPolarHBondContact ND2-CE1 3.5Å; Q860-Y891 PolarHBondContact NE2-OH 3.06Å; F887-Y891 HydrophobicContact CD1-CD2 4.17Å; F887-Y891 AromaticContact CD2-CD2 3.45Å; F887-Y891 HydrophobicContact CD2-CD2 3.45Å; F887-Y891 VanDerWaalsContact CD2-CD2 3.45Å; F887-Y891 AromaticContact CD2-CE2 3.47Å; F887-Y891 HydrophobicContact CD2-CE2 3.47Å; F887-Y891 VanDerWaalsContact CD2-CE2 3.47Å; F887-Y891 HydrophobicContact CE1-CD2 4.23Å; F887-Y891 AromaticContact CE2-CD2 3.48Å; F887-Y891 HydrophobicContact CE2-CD2 3.48Å; F887-Y891 VanDerWaalsContact CE2-CD2 3.48Å; F887-Y891 AromaticContact CE2-CE2 3.6Å; F887-Y891 HydrophobicContact CE2-CE2 3.6Å; F887-Y891 AromaticContact CG-CD2 3.81Å; F887-Y891 HydrophobicContact CG-CD2 3.81Å; F887-Y891 HydrophobicContact CG-CE2 4.2Å; F887-Y891 AromaticContact CZ-CD2 3.89Å; F887-Y891 HydrophobicContact CZ-CD2 3.89Å; F887-Y891 HydrophobicContact CZ-CE2 4.43Å; F887-Y891 WeakPolarHBondContact O-CB 3.23Å; F887-Y891 VanDerWaalsContact O-CD2 3.25Å; F887-Y891 WeakPolarHBondContact O-CD2 3.42Å; F887-Y891 PolarHBondContact O-N 3.49Å; L888-Y891 PolarHBondContact O-N 2.94Å
892	L	96.1	Very high	98.1	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.147	12%	0.121	C	C	.	.			trans	-118.2	0	175.8	-164.7	65.1	0	0	0	113.8	P667 V669 Y701 R752 A754 K777 I778 L888	P667-L892 HydrophobicContact CB-CD2 3.95Å; P667-L892 HydrophobicContact CB-CG 3.99Å; V669-L892 HydrophobicContact CG2-CD2 4.47Å; Y701-L892 HydrophobicContact CD1-CD2 4.25Å; Y701-L892 HydrophobicContact CE1-CD2 4.08Å; R752-L892 HydrophobicContact CB-CD1 4.2Å; R752-L892 HydrophobicContact CB-CG 4.29Å; R752-L892 WeakPolarHBondContact CD-O 3.26Å; R752-L892 WeakPolarHBondContact CG-O 3.43Å; A754-L892 HydrophobicContact CB-CD1 4.18Å; A754-L892 HydrophobicContact CB-CD2 3.8Å; K777-L892 HydrophobicContact CB-CD1 4.33Å; I778-L892 HydrophobicContact CD1-CB 4.12Å; I778-L892 HydrophobicContact CD1-CD1 4.33Å; I778-L892 HydrophobicContact CG1-CD1 4.38Å; L888-L892 HydrophobicContact CD2-CD2 3.91Å; L888-L892 WeakPolarHBondContact O-CB 3.47Å; L888-L892 PolarHBondContact O-N 3.27Å

Retrieved 892 of 892 residues in 443.7 ms (Link to these results)

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