A0A077Z4K9_TRITR Loading...

Mannosyl-oligosaccharide glucosidase

Cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor.

AlphaFold DB , UniProt , Accession A0A077Z4K9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 814 aa.

						>A0A077Z4K9_TRITR|A0A077Z4K9
MVCESSAGDSAKQPPRTSKAHPSKAKEGRFPKRFGQPLFFAISVVSAIGMFYYHRTYMFLPSVIVTKCSIPTVMNHSYEAVDPSMFWGTYRANLYIGMGGRSPLSPLFGVMWYLQAPSGKVEMPKIRHWCNQGDHLTRHSWEEHDGKIYGIQQIVDHHLQIKATMVKSPLLNHPGNWAWRIETDILAEEEVTKPPYSFIFYMMLPSGDILKLKQNENVYTIEGETEELKNFRLHIIGPQSIRHSTHIKLRLADAATIDEEILKHMRIFKFSSSDVMLLGLAESEPTENTNFIAVQVTLAGNTRIEVAFESLVGGAKRELLTGELFDSKLSAARAEFEKKFEAAFQLEEKKYAEVFSKVGKHALSSMLGGLSYFHGRAIVQSVYNSAPVLYGPLELFSTVPSKSFFPRGFLWDEGFHQLLLRHWDVDLSLEIMGHWLDLMNVEGWIPREVILGTEALRKVPWEFVTQRNTVANPPVFFYTLNSILKDEAHLTASDKLLLKRMFPRLKLWYRWLNSTQAGSQLGTFRWRGRNETTNMELNPKTLPSGLDDFPRASHPTQDEYHVDLFSWMLASTNSMIRMSKLVNDDASEKLFREYAGMLTKHNLLDQLHWSDRNKRYCDYGLHTGLVALEEFSIPVKSPDGTQRRETEFRRVVKGKPKLRLVSDVFGYVNLFPLFLRLLPRDSPKLEHIFEQMTNPELLWTPYGLRSLSKSSRLYMKRNTEHDPPYWRGAVWINMNYMALSSLHYYSQAEGPYRQKAFDVYNELRNAVVSNVVKQYVRTGYLWEHYNDVTGEGEGSHPFSGWTSLVLLMMAELYE
					

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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	34.8	Very low	30.8	Very low	247 Å²	247	125.7 Å²	125.7	100%	1.217	80%	0.804	S	S	*	*				0	124	0	-88.4	172.7	-178.9	0	0	107.6
2	V	30.1	Very low	31.2	Very low	125 Å²	125	132.7 Å²	132.7	76%	0.758	81%	0.813	S	S	*	*			trans	-73.7	133.6	164.7	177.6	0	0	0	0	107.2	E4	V2-E4 HydrophobicContact CG1-CG 4.21Å
3	C	31.4	Very low	30.9	Very low	119 Å²	119	136.5 Å²	136.5	80%	0.804	82%	0.816	S	S	*	*			trans	-147.1	106.2	149	-82.8	0	0	0	0	103.8
4	E	26.8	Very low	31.4	Very low	164 Å²	164	135.3 Å²	135.3	77%	0.766	81%	0.813	S	S	*	*				49.6	137.1	71.9	-73.1	-170.8	-179.1	0	0	111.6	V2	V2-E4 HydrophobicContact CG1-CG 4.21Å
5	S	26	Very low	31.8	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	81%	0.811	S	S	*	*			cis	178.4	173	-0.5	50.7	0	0	0	0	105.2
6	S	30	Very low	31.9	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	82%	0.818	S	S	*	*			trans	76.6	146.6	157.1	83.3	0	0	0	0	116.8
7	A	30.9	Very low	32.3	Very low	103 Å²	103	140.4 Å²	140.4	85%	0.851	82%	0.816	S	S	*	*			cis	-178.2	164.5	-12.4	0	0	0	0	0	105.8
8	G	30.5	Very low	32.4	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	82%	0.818	S	S	*	*			trans	124.1	92.2	146.3	0	0	0	0	0	118.4
9	D	32.3	Very low	32.6	Very low	154 Å²	154	142.2 Å²	142.2	82%	0.824	82%	0.819	S	S	*	*				69.2	102.8	123.9	-63.9	-17.5	0	0	0	124
10	S	29.6	Very low	32.9	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	82%	0.82	S	S	*	*				84.6	133.3	108.8	87.5	0	0	0	0	122.3
11	A	36.3	Very low	33.1	Very low	87 Å²	87	142.2 Å²	142.2	72%	0.719	82%	0.821	S	S	*	*			trans	111.6	96.8	136.2	0	0	0	0	0	119.9
12	K	36.3	Very low	33.3	Very low	209 Å²	209	136.1 Å²	136.1	91%	0.909	80%	0.8	S	S	*	*			trans	78.3	114.6	131.4	-68.2	-176.3	177.7	177.9	0	121.1
13	Q	27.4	Very low	33.7	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	80%	0.801	S	S	*	*			trans	-73.6	156.9	167.3	-65.7	169.5	-29	0	0	113.9
14	P	37.3	Very low	34.1	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	81%	0.805	S	S	*	*			trans	-118.5	170	134.9	34	-21	0	0	0	111.4
15	P	37.9	Very low	34.8	Very low	122 Å²	122	136.3 Å²	136.3	79%	0.792	81%	0.807	S	S	*	*			trans	-89.5	153.9	-141.1	33.4	-34.8	0	0	0	116.2	T17	P15-T17 PolarHBondContact O-N 3.46Å
16	R	33.4	Very low	35.5	Very low	244 Å²	244	141.5 Å²	141.5	92%	0.921	82%	0.818	S	S	*	*			trans	-58.6	120.6	169.4	-74.6	172.3	166.8	172.1	-4.6	111.6
17	T	37.6	Very low	36	Very low	126 Å²	126	145 Å²	145	77%	0.773	82%	0.822	S	S	*	*			trans	-120.3	120	146.2	53.6	0	0	0	0	108.5	P15 K19	P15-T17 PolarHBondContact O-N 3.46Å; T17-K19 PolarHBondContact O-N 3.21Å
18	S	34.2	Very low	36.5	Very low	123 Å²	123	143.5 Å²	143.5	86%	0.86	82%	0.816	S	S	*	*			trans	-57.6	111.6	175.2	52.3	0	0	0	0	111
19	K	37.5	Very low	37	Very low	193 Å²	193	151.9 Å²	151.9	84%	0.839	83%	0.827	S	S	*	*			trans	-106.2	122.9	157.3	-80.1	-174.8	176.3	178.9	0	107.9	T17	T17-K19 PolarHBondContact O-N 3.21Å
20	A	37.6	Very low	37.6	Very low	100 Å²	100	153.8 Å²	153.8	83%	0.826	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-52.3	133.2	-179.1	0	0	0	0	0	111.7
21	H	36.5	Very low	38.5	Very low	185 Å²	185	153.4 Å²	153.4	86%	0.856	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.8	167.6	-88.3	-67.7	0	0	0	109.9	S23	H21-S23 PolarHBondContact O-N 3.15Å
22	P	40.2	Very low	39.3	Very low	118 Å²	118	158.6 Å²	158.6	77%	0.766	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.6	131	175.4	27.6	-30.6	0	0	0	109.8
23	S	39.2	Very low	40.2	Very low	112 Å²	112	159.2 Å²	159.2	78%	0.783	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-52.9	134.1	172.7	53.4	0	0	0	0	111.4	H21 A25	H21-S23 PolarHBondContact O-N 3.15Å; S23-A25 PolarHBondContact O-N 3.48Å; S23-A25 VanDerWaalsContact O-N 3.15Å
24	K	38.4	Very low	41.4	Very low	203 Å²	203	159.2 Å²	159.2	88%	0.883	82%	0.824	S	S	*	*			trans	-38.6	116.8	168.5	-71.4	178.4	174.5	-179.6	0	111	K26	K24-K26 PolarHBondContact O-N 3.29Å
25	A	41.2	Very low	42.4	Very low	98 Å²	98	155.6 Å²	155.6	81%	0.81	81%	0.809	S	S	*	*			trans	-57.1	124.5	170.1	0	0	0	0	0	109	S23 E27	S23-A25 PolarHBondContact O-N 3.48Å; S23-A25 VanDerWaalsContact O-N 3.15Å; A25-E27 PolarHBondContact O-N 2.99Å
26	K	40.9	Very low	44	Very low	200 Å²	200	156.8 Å²	156.8	87%	0.87	80%	0.803	S	S	*	*			trans	-60.6	122.7	175	-72.8	173.4	174.5	174.5	0	109.1	K24 G28	K24-K26 PolarHBondContact O-N 3.29Å; K26-G28 PolarHBondContact O-N 3.13Å; K26-G28 VanDerWaalsContact O-N 3.12Å
27	E	40.2	Very low	46.2	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	79%	0.787	S	S	*	*			trans	-52.7	115.7	157.9	-73	177.5	157.5	0	0	108.5	A25 R29	A25-E27 PolarHBondContact O-N 2.99Å; E27-R29 PolarHBondContact O-N 3.35Å
28	G	41.3	Very low	48.3	Very low	71 Å²	71	148.5 Å²	148.5	73%	0.732	78%	0.777	S	S	*	*			trans	-64.9	100.9	175.9	0	0	0	0	0	110.2	K26 F30	K26-G28 PolarHBondContact O-N 3.13Å; K26-G28 VanDerWaalsContact O-N 3.12Å; G28-F30 PolarHBondContact O-N 3.12Å; G28-F30 VanDerWaalsContact O-N 3.13Å
29	R	42.7	Very low	50.7	Low	241 Å²	241	149.8 Å²	149.8	91%	0.909	77%	0.767	S	S	*	*			trans	-64.5	105.8	160.8	-77.5	-179.4	175.7	179	-1.6	108.3	E27	E27-R29 PolarHBondContact O-N 3.35Å
30	F	43	Very low	53.2	Low	194 Å²	194	147.5 Å²	147.5	85%	0.851	76%	0.758	S	S	*	*			trans	-56	131.3	163.3	-95.7	-91.3	0	0	0	109.6	G28 K32	G28-F30 PolarHBondContact O-N 3.12Å; G28-F30 VanDerWaalsContact O-N 3.13Å; F30-K32 PolarHBondContact O-N 3.05Å
31	P	48.8	Very low	55.6	Low	105 Å²	105	145.1 Å²	145.1	68%	0.682	74%	0.738	S	S	*	*			trans	-73.9	112.4	-174.1	27.1	-31.8	0	0	0	111.6	R33	P31-R33 PolarHBondContact O-N 3.24Å
32	K	53.6	Low	58.1	Low	196 Å²	196	140.7 Å²	140.7	85%	0.852	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	7.7	178.4	-79.2	-172.5	174.9	-177.1	0	116.2	F30	F30-K32 PolarHBondContact O-N 3.05Å
33	R	55.1	Low	60.6	Low	222 Å²	222	137.5 Å²	137.5	84%	0.838	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-13.5	-169.6	-100.4	-175.8	177.5	179.8	-0.7	117.1	P31	P31-R33 PolarHBondContact O-N 3.24Å
34	F	53.3	Low	63.2	Low	182 Å²	182	135 Å²	135	80%	0.798	68%	0.68	S	S	*	*	S	Bend	trans	-91.7	-12.7	176.8	-86.2	-84.6	0	0	0	114.4
35	G	58.4	Low	65.8	Low	44 Å²	44	130.2 Å²	130.2	45%	0.454	67%	0.667	S	S	.	*	H	α-helix	trans	-79.7	-27.7	-177.1	0	0	0	0	0	115.5	F39	G35-F39 WeakPolarHBondContact O-CB 3.35Å; G35-F39 PolarHBondContact O-N 3.46Å
36	Q	71.2	Confident	68.3	Low	147 Å²	147	128.3 Å²	128.3	69%	0.687	65%	0.648	S	S	*	*	H	α-helix	trans	-69.1	-51.2	-172.4	-73.9	-178.5	-24.8	0	0	115	L38 F39 F40	Q36-L38 VanDerWaalsContact C-N 3.33Å; Q36-L38 PolarHBondContact O-N 3.47Å; Q36-F39 PolarHBondContact O-N 3.33Å; Q36-F40 WeakPolarHBondContact O-CB 3.45Å; Q36-F40 PolarHBondContact O-N 3.43Å
37	P	79.2	Confident	70.9	Confident	87 Å²	87	121.1 Å²	121.1	57%	0.565	63%	0.626	S	S	*	*	H	α-helix	trans	-67.3	-34.6	178.8	23.7	-31.5	0	0	0	112.2	F40 A41	P37-F40 PolarHBondContact O-N 2.74Å; P37-A41 WeakPolarHBondContact O-CB 3.39Å; P37-A41 PolarHBondContact O-N 2.9Å
38	L	82.7	Confident	73.5	Confident	109 Å²	109	117.4 Å²	117.4	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-66.4	-44.2	174.8	-175.2	65.2	0	0	0	111.4	Q36 F40 A41 I42	Q36-L38 VanDerWaalsContact C-N 3.33Å; Q36-L38 PolarHBondContact O-N 3.47Å; L38-F40 VanDerWaalsContact C-N 3.33Å; L38-F40 PolarHBondContact O-N 3.49Å; L38-A41 PolarHBondContact O-N 2.91Å; L38-I42 HydrophobicContact CD1-CD1 4.27Å; L38-I42 HydrophobicContact CG-CD1 3.91Å; L38-I42 WeakPolarHBondContact O-CB 3.37Å; L38-I42 VanDerWaalsContact O-CG1 3.23Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 2.92Å
39	F	84.6	Confident	76.1	Confident	149 Å²	149	115.9 Å²	115.9	65%	0.654	60%	0.595	S	S	*	*	H	α-helix	trans	-62.4	-41.1	175.8	-173.4	-92.1	0	0	0	111.8	G35 Q36 I42 S43	G35-F39 WeakPolarHBondContact O-CB 3.35Å; G35-F39 PolarHBondContact O-N 3.46Å; Q36-F39 PolarHBondContact O-N 3.33Å; F39-I42 PolarHBondContact O-N 3.45Å; F39-S43 WeakPolarHBondContact O-CB 3.23Å; F39-S43 PolarHBondContact O-N 2.87Å; F39-S43 PolarHBondContact O-OG 2.97Å
40	F	88.2	Confident	78.6	Confident	146 Å²	146	110.4 Å²	110.4	64%	0.64	58%	0.582	S	S	*	*	H	α-helix	trans	-63.3	-47.2	175.1	-176.2	-99.3	0	0	0	111.9	Q36 P37 L38 I42 S43 V44	Q36-F40 WeakPolarHBondContact O-CB 3.45Å; Q36-F40 PolarHBondContact O-N 3.43Å; P37-F40 PolarHBondContact O-N 2.74Å; L38-F40 VanDerWaalsContact C-N 3.33Å; L38-F40 PolarHBondContact O-N 3.49Å; F40-I42 PolarHBondContact O-N 2.95Å; F40-S43 WeakPolarHBondContact O-CB 3.15Å; F40-S43 PolarHBondContact O-N 3.4Å; F40-S43 VanDerWaalsContact O-N 3.17Å; F40-V44 HydrophobicContact CD1-CG2 4.2Å; F40-V44 HydrophobicContact CE1-CG2 3.81Å; F40-V44 HydrophobicContact CE2-CG2 4.4Å; F40-V44 HydrophobicContact CZ-CG2 3.91Å; F40-V44 WeakPolarHBondContact O-CG2 3.28Å; F40-V44 PolarHBondContact O-N 3.42Å
41	A	88.3	Confident	81.1	Confident	49 Å²	49	107.3 Å²	107.3	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-60	-44.6	176.6	0	0	0	0	0	112.2	P37 L38 S43 V44 V45	P37-A41 WeakPolarHBondContact O-CB 3.39Å; P37-A41 PolarHBondContact O-N 2.9Å; L38-A41 PolarHBondContact O-N 2.91Å; A41-S43 VanDerWaalsContact C-N 3.31Å; A41-S43 PolarHBondContact O-N 3.37Å; A41-V44 PolarHBondContact O-N 3.35Å; A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.48Å
42	I	90.5	Very high	83.3	Confident	93 Å²	93	109.4 Å²	109.4	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-61.2	-40.6	175.4	-69.3	167.1	0	0	0	110.9	L38 F39 F40 V45 S46	L38-I42 HydrophobicContact CD1-CD1 4.27Å; L38-I42 HydrophobicContact CG-CD1 3.91Å; L38-I42 WeakPolarHBondContact O-CB 3.37Å; L38-I42 VanDerWaalsContact O-CG1 3.23Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 2.92Å; F39-I42 PolarHBondContact O-N 3.45Å; F40-I42 PolarHBondContact O-N 2.95Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-S46 VanDerWaalsContact O-CB 3.28Å; I42-S46 WeakPolarHBondContact O-CB 3.38Å; I42-S46 PolarHBondContact O-N 2.92Å; I42-S46 PolarHBondContact O-OG 2.93Å
43	S	91.3	Very high	85.3	Confident	50 Å²	50	106.8 Å²	106.8	35%	0.35	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-41	178.9	-59.1	0	0	0	0	111.9	F39 F40 A41 S46 A47	F39-S43 WeakPolarHBondContact O-CB 3.23Å; F39-S43 PolarHBondContact O-N 2.87Å; F39-S43 PolarHBondContact O-OG 2.97Å; F40-S43 WeakPolarHBondContact O-CB 3.15Å; F40-S43 PolarHBondContact O-N 3.4Å; F40-S43 VanDerWaalsContact O-N 3.17Å; A41-S43 VanDerWaalsContact C-N 3.31Å; A41-S43 PolarHBondContact O-N 3.37Å; S43-S46 PolarHBondContact O-N 3.17Å; S43-A47 WeakPolarHBondContact O-CB 3.37Å; S43-A47 PolarHBondContact O-N 2.71Å
44	V	93.4	Very high	87.2	Confident	60 Å²	60	101.2 Å²	101.2	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-46.6	175.7	173.2	0	0	0	0	111.1	F40 A41 S46 A47 I48	F40-V44 HydrophobicContact CD1-CG2 4.2Å; F40-V44 HydrophobicContact CE1-CG2 3.81Å; F40-V44 HydrophobicContact CE2-CG2 4.4Å; F40-V44 HydrophobicContact CZ-CG2 3.91Å; F40-V44 WeakPolarHBondContact O-CG2 3.28Å; F40-V44 PolarHBondContact O-N 3.42Å; A41-V44 PolarHBondContact O-N 3.35Å; V44-S46 VanDerWaalsContact C-N 3.3Å; V44-S46 PolarHBondContact O-N 3.19Å; V44-A47 PolarHBondContact O-N 2.87Å; V44-I48 HydrophobicContact CG1-CD1 3.95Å; V44-I48 WeakPolarHBondContact O-CG1 2.8Å; V44-I48 PolarHBondContact O-N 2.63Å
45	V	94.2	Very high	89.2	Confident	102 Å²	102	98.6 Å²	98.6	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-41.5	176.4	172.2	0	0	0	0	110.9	A41 I42 I48 G49	A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.48Å; I42-V45 PolarHBondContact O-N 3.42Å; V45-I48 PolarHBondContact O-N 3.48Å; V45-G49 PolarHBondContact O-N 2.88Å
46	S	93.7	Very high	90.9	Very high	58 Å²	58	98 Å²	98	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.9	-58.3	0	0	0	0	111.7	I42 S43 V44 G49 M50	I42-S46 VanDerWaalsContact O-CB 3.28Å; I42-S46 WeakPolarHBondContact O-CB 3.38Å; I42-S46 PolarHBondContact O-N 2.92Å; I42-S46 PolarHBondContact O-OG 2.93Å; S43-S46 PolarHBondContact O-N 3.17Å; V44-S46 VanDerWaalsContact C-N 3.3Å; V44-S46 PolarHBondContact O-N 3.19Å; S46-G49 PolarHBondContact O-N 2.69Å; S46-M50 WeakPolarHBondContact O-CB 3.45Å; S46-M50 VanDerWaalsContact O-CG 3.29Å; S46-M50 WeakPolarHBondContact O-CG 3.36Å; S46-M50 PolarHBondContact O-N 2.84Å
47	A	94.7	Very high	91.9	Very high	50 Å²	50	98 Å²	98	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176.6	0	0	0	0	0	112.4	S43 V44 M50 F51	S43-A47 WeakPolarHBondContact O-CB 3.37Å; S43-A47 PolarHBondContact O-N 2.71Å; V44-A47 PolarHBondContact O-N 2.87Å; A47-M50 PolarHBondContact O-N 3.35Å; A47-F51 WeakPolarHBondContact O-CB 3.47Å; A47-F51 PolarHBondContact O-N 2.8Å
48	I	95.3	Very high	92.5	Very high	110 Å²	110	98.9 Å²	98.9	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-43.9	174.6	-66.1	167.6	0	0	0	110.3	V44 V45 F51 Y52	V44-I48 HydrophobicContact CG1-CD1 3.95Å; V44-I48 WeakPolarHBondContact O-CG1 2.8Å; V44-I48 PolarHBondContact O-N 2.63Å; V45-I48 PolarHBondContact O-N 3.48Å; I48-F51 PolarHBondContact O-N 2.88Å; I48-Y52 WeakPolarHBondContact O-CB 3.42Å; I48-Y52 PolarHBondContact O-N 2.82Å
49	G	95.6	Very high	93.1	Very high	39 Å²	39	98.8 Å²	98.8	40%	0.402	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-45.2	176	0	0	0	0	0	112.4	V45 S46 Y52 Y53	V45-G49 PolarHBondContact O-N 2.88Å; S46-G49 PolarHBondContact O-N 2.69Å; G49-Y52 PolarHBondContact O-N 2.78Å; G49-Y53 VanDerWaalsContact O-CB 3.26Å; G49-Y53 WeakPolarHBondContact O-CB 3.45Å; G49-Y53 PolarHBondContact O-N 3.04Å
50	M	95.6	Very high	93.6	Very high	127 Å²	127	93.1 Å²	93.1	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-64	-42	175.3	-76.1	-172.5	-70	0	0	112	S46 A47 Y53 H54	S46-M50 WeakPolarHBondContact O-CB 3.45Å; S46-M50 VanDerWaalsContact O-CG 3.29Å; S46-M50 WeakPolarHBondContact O-CG 3.36Å; S46-M50 PolarHBondContact O-N 2.84Å; A47-M50 PolarHBondContact O-N 3.35Å; M50-Y53 PolarHBondContact O-N 3.38Å; M50-H54 VanDerWaalsContact O-CB 3.26Å; M50-H54 WeakPolarHBondContact O-CB 3.4Å; M50-H54 PolarHBondContact O-N 3.25Å
51	F	95.7	Very high	94	Very high	129 Å²	129	87.3 Å²	87.3	57%	0.566	45%	0.446	S	S	*	.	H	α-helix	trans	-62.8	-46.3	175.8	175.5	-97.4	0	0	0	111.5	A47 I48 H54 R55	A47-F51 WeakPolarHBondContact O-CB 3.47Å; A47-F51 PolarHBondContact O-N 2.8Å; I48-F51 PolarHBondContact O-N 2.88Å; F51-H54 PolarHBondContact O-N 3.33Å; F51-R55 VanDerWaalsContact O-CB 3.25Å; F51-R55 WeakPolarHBondContact O-CB 3.42Å; F51-R55 PolarHBondContact O-N 3.19Å
52	Y	95.1	Very high	94.3	Very high	149 Å²	149	87 Å²	87	58%	0.584	44%	0.441	S	S	*	.	H	α-helix	trans	-63.3	-42.9	177.1	-179.2	-94.9	0	0	0	111.6	I48 G49 R55 T56	I48-Y52 WeakPolarHBondContact O-CB 3.42Å; I48-Y52 PolarHBondContact O-N 2.82Å; G49-Y52 PolarHBondContact O-N 2.78Å; Y52-R55 PolarHBondContact O-N 2.85Å; Y52-T56 VanDerWaalsContact O-CB 3.28Å; Y52-T56 WeakPolarHBondContact O-CB 3.47Å; Y52-T56 PolarHBondContact O-N 3.4Å; Y52-T56 PolarHBondContact O-OG1 2.68Å
53	Y	95.4	Very high	94.7	Very high	140 Å²	140	83.2 Å²	83.2	55%	0.549	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-51.3	175.7	178.4	-91.7	0	0	0	111.1	G49 M50 R55 T56 Y57	G49-Y53 VanDerWaalsContact O-CB 3.26Å; G49-Y53 WeakPolarHBondContact O-CB 3.45Å; G49-Y53 PolarHBondContact O-N 3.04Å; M50-Y53 PolarHBondContact O-N 3.38Å; Y53-R55 VanDerWaalsContact C-N 3.34Å; Y53-R55 PolarHBondContact O-N 2.8Å; Y53-T56 PolarHBondContact O-N 3.45Å; Y53-Y57 AromaticContact CD2-CD2 3.39Å; Y53-Y57 HydrophobicContact CD2-CD2 3.39Å; Y53-Y57 AromaticContact CD2-CE2 3.86Å; Y53-Y57 HydrophobicContact CD2-CE2 3.86Å; Y53-Y57 HydrophobicContact CD2-CG 4.27Å; Y53-Y57 AromaticContact CE2-CD2 3.64Å; Y53-Y57 HydrophobicContact CE2-CD2 3.64Å; Y53-Y57 HydrophobicContact CE2-CE2 4.19Å; Y53-Y57 HydrophobicContact CE2-CG 4.1Å; Y53-Y57 HydrophobicContact CG-CD2 4.03Å; Y53-Y57 WeakPolarHBondContact O-CB 3.43Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.27Å; Y53-Y57 PolarHBondContact O-N 2.79Å
54	H	95.7	Very high	94.9	Very high	106 Å²	106	80.9 Å²	80.9	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-44.5	178.3	-178.2	77.1	0	0	0	111.5	M50 F51 M58 F59	M50-H54 VanDerWaalsContact O-CB 3.26Å; M50-H54 WeakPolarHBondContact O-CB 3.4Å; M50-H54 PolarHBondContact O-N 3.25Å; F51-H54 PolarHBondContact O-N 3.33Å; H54-M58 WeakPolarHBondContact O-CA 3.23Å; H54-M58 VanDerWaalsContact O-CB 3.23Å; H54-M58 WeakPolarHBondContact O-CB 3.5Å; H54-M58 PolarHBondContact O-N 2.98Å; H54-F59 PolarHBondContact O-N 3.35Å
55	R	95	Very high	95.1	Very high	126 Å²	126	80.2 Å²	80.2	48%	0.475	40%	0.402	S	S	.	.	I	π-helix	trans	-61.1	-48.5	178	-174.5	178	-179.3	112.9	-0.1	111.8	F51 Y52 Y53 L60	F51-R55 VanDerWaalsContact O-CB 3.25Å; F51-R55 WeakPolarHBondContact O-CB 3.42Å; F51-R55 PolarHBondContact O-N 3.19Å; Y52-R55 PolarHBondContact O-N 2.85Å; Y53-R55 VanDerWaalsContact C-N 3.34Å; Y53-R55 PolarHBondContact O-N 2.8Å; R55-L60 HydrophobicContact CG-CD1 4.35Å; R55-L60 HydrophobicContact CG-CG 4.41Å; R55-L60 WeakPolarHBondContact O-CB 3.32Å; R55-L60 VanDerWaalsContact O-CG 3.26Å; R55-L60 WeakPolarHBondContact O-CG 3.37Å; R55-L60 PolarHBondContact O-N 3.1Å
56	T	92.8	Very high	95.3	Very high	33 Å²	33	78.1 Å²	78.1	20%	0.202	39%	0.389	C	S	.	.	I	π-helix	trans	-78.5	-39.2	-171.9	-55.7	0	0	0	0	113.1	Y52 Y53 P61	Y52-T56 VanDerWaalsContact O-CB 3.28Å; Y52-T56 WeakPolarHBondContact O-CB 3.47Å; Y52-T56 PolarHBondContact O-N 3.4Å; Y52-T56 PolarHBondContact O-OG1 2.68Å; Y53-T56 PolarHBondContact O-N 3.45Å; T56-P61 VanDerWaalsContact O-CD 3.29Å; T56-P61 WeakPolarHBondContact O-CD 3.49Å
57	Y	92.7	Very high	95.5	Very high	145 Å²	145	80.5 Å²	80.5	57%	0.569	39%	0.392	S	S	*	.	I	π-helix	trans	-105.3	-14.6	-172.1	-63.1	-76.4	0	0	0	114.4	Y53	Y53-Y57 AromaticContact CD2-CD2 3.39Å; Y53-Y57 HydrophobicContact CD2-CD2 3.39Å; Y53-Y57 AromaticContact CD2-CE2 3.86Å; Y53-Y57 HydrophobicContact CD2-CE2 3.86Å; Y53-Y57 HydrophobicContact CD2-CG 4.27Å; Y53-Y57 AromaticContact CE2-CD2 3.64Å; Y53-Y57 HydrophobicContact CE2-CD2 3.64Å; Y53-Y57 HydrophobicContact CE2-CE2 4.19Å; Y53-Y57 HydrophobicContact CE2-CG 4.1Å; Y53-Y57 HydrophobicContact CG-CD2 4.03Å; Y53-Y57 WeakPolarHBondContact O-CB 3.43Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.27Å; Y53-Y57 PolarHBondContact O-N 2.79Å
58	M	92.2	Very high	95.6	Very high	107 Å²	107	78.8 Å²	78.8	53%	0.527	38%	0.377	S	S	.	.	I	π-helix	trans	-115	-59.6	178.6	-54.6	-71.6	-74.2	0	0	111.4	H54 S62	H54-M58 WeakPolarHBondContact O-CA 3.23Å; H54-M58 VanDerWaalsContact O-CB 3.23Å; H54-M58 WeakPolarHBondContact O-CB 3.5Å; H54-M58 PolarHBondContact O-N 2.98Å; M58-S62 WeakPolarHBondContact O-CB 3.49Å; M58-S62 PolarHBondContact O-N 3Å; M58-S62 PolarHBondContact O-OG 3.3Å
59	F	95.5	Very high	95.6	Very high	106 Å²	106	78.8 Å²	78.8	47%	0.465	39%	0.387	S	S	.	.	I	π-helix	trans	-70.7	-56.2	-172.5	178.4	-99.1	0	0	0	112.9	H54 S62 V63	H54-F59 PolarHBondContact O-N 3.35Å; F59-S62 PolarHBondContact O-N 3.09Å; F59-S62 PolarHBondContact O-OG 3.22Å; F59-V63 HydrophobicContact CD1-CG2 4.24Å; F59-V63 HydrophobicContact CE1-CG2 3.89Å; F59-V63 HydrophobicContact CZ-CG2 4.1Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.88Å; F59-V63 VanDerWaalsContact O-N 3.12Å
60	L	95.5	Very high	95.7	Very high	31 Å²	31	78.9 Å²	78.9	16%	0.162	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-42.2	-176.8	-72.9	172.6	0	0	0	113.3	R55 S62 V63 Y383	R55-L60 HydrophobicContact CG-CD1 4.35Å; R55-L60 HydrophobicContact CG-CG 4.41Å; R55-L60 WeakPolarHBondContact O-CB 3.32Å; R55-L60 VanDerWaalsContact O-CG 3.26Å; R55-L60 WeakPolarHBondContact O-CG 3.37Å; R55-L60 PolarHBondContact O-N 3.1Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.13Å; L60-V63 PolarHBondContact O-N 3.39Å; L60-Y383 HydrophobicContact CB-CD1 3.98Å; L60-Y383 HydrophobicContact CB-CD2 3.78Å; L60-Y383 HydrophobicContact CB-CE1 4.27Å; L60-Y383 HydrophobicContact CB-CE2 4.08Å; L60-Y383 HydrophobicContact CB-CG 3.72Å; L60-Y383 HydrophobicContact CD1-CD1 4.1Å; L60-Y383 HydrophobicContact CD1-CE1 3.71Å; L60-Y383 HydrophobicContact CD1-CE2 4.44Å; L60-Y383 HydrophobicContact CD2-CD2 4.49Å; L60-Y383 HydrophobicContact CD2-CE2 3.97Å; L60-Y383 HydrophobicContact CG-CE1 4.43Å; L60-Y383 HydrophobicContact CG-CE2 4.39Å
61	P	95.2	Very high	95.8	Very high	24 Å²	24	78 Å²	78	16%	0.156	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-25.5	172.8	-23.6	35.1	0	0	0	114.2	T56 N384	T56-P61 VanDerWaalsContact O-CD 3.29Å; T56-P61 WeakPolarHBondContact O-CD 3.49Å; P61-N384 PolarHBondContact O-ND2 2.89Å; P61-N384 VanDerWaalsContact O-ND2 3.14Å
62	S	96.4	Very high	95.9	Very high	42 Å²	42	75 Å²	75	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-83.8	-20	179.5	78.7	0	0	0	0	113.3	M58 F59 L60 I64 V65 T66	M58-S62 WeakPolarHBondContact O-CB 3.49Å; M58-S62 PolarHBondContact O-N 3Å; M58-S62 PolarHBondContact O-OG 3.3Å; F59-S62 PolarHBondContact O-N 3.09Å; F59-S62 PolarHBondContact O-OG 3.22Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.13Å; S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 3.34Å; S62-V65 VanDerWaalsContact O-CG2 3.22Å; S62-V65 WeakPolarHBondContact O-CG2 3.44Å; S62-V65 PolarHBondContact O-N 2.86Å; S62-V65 VanDerWaalsContact O-N 3.11Å; S62-T66 PolarHBondContact O-N 2.84Å; S62-T66 PolarHBondContact O-OG1 3.42Å
63	V	96.9	Very high	96	Very high	14 Å²	14	67.9 Å²	67.9	9%	0.085	35%	0.346	C	S	.	.	H	α-helix	trans	-53.8	-44.8	-177.8	168.6	0	0	0	0	111.6	F59 L60 V65 T66 V441 E442	F59-V63 HydrophobicContact CD1-CG2 4.24Å; F59-V63 HydrophobicContact CE1-CG2 3.89Å; F59-V63 HydrophobicContact CZ-CG2 4.1Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.88Å; F59-V63 VanDerWaalsContact O-N 3.12Å; L60-V63 PolarHBondContact O-N 3.39Å; V63-V65 VanDerWaalsContact C-N 3.26Å; V63-V65 PolarHBondContact O-N 3.41Å; V63-T66 PolarHBondContact O-N 2.86Å; V63-V441 HydrophobicContact CG1-CG1 3.87Å; V63-E442 HydrophobicContact CG1-CG 3.26Å; V63-E442 WeakPolarHBondContact CG1-OE1 3.15Å
64	I	97.2	Very high	96.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.9	-177.3	-167.8	171.4	0	0	0	113.4	S62 V379 N384 V388 W444 N468	S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 3.34Å; I64-V379 HydrophobicContact CD1-CB 3.79Å; I64-V379 HydrophobicContact CD1-CG2 3.87Å; I64-V379 HydrophobicContact CG1-CB 4.16Å; I64-V379 HydrophobicContact CG1-CG2 3.84Å; I64-V379 HydrophobicContact CG2-CG2 4.2Å; I64-N384 WeakPolarHBondContact CG2-OD1 3.13Å; I64-V388 HydrophobicContact CG2-CG2 4.28Å; I64-W444 HydrophobicContact CD1-CH2 4.3Å; I64-W444 HydrophobicContact CD1-CZ3 3.95Å; I64-W444 HydrophobicContact CG1-CE3 4.16Å; I64-W444 HydrophobicContact CG1-CZ3 3.7Å; I64-N468 HydrophobicContact CD1-CB 3.74Å; I64-N468 HydrophobicContact CG1-CB 3.93Å
65	V	97.6	Very high	96	Very high	47 Å²	47	61.7 Å²	61.7	29%	0.285	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.9	-179.9	-59	0	0	0	0	113.5	S62 V63 K67 V379 V388 L389 Y390	S62-V65 VanDerWaalsContact O-CG2 3.22Å; S62-V65 WeakPolarHBondContact O-CG2 3.44Å; S62-V65 PolarHBondContact O-N 2.86Å; S62-V65 VanDerWaalsContact O-N 3.11Å; V63-V65 VanDerWaalsContact C-N 3.26Å; V63-V65 PolarHBondContact O-N 3.41Å; V65-K67 PolarHBondContact O-N 3.41Å; V65-V379 HydrophobicContact CG1-CG2 3.99Å; V65-V388 HydrophobicContact CG1-CB 4.4Å; V65-V388 HydrophobicContact CG1-CG2 3.56Å; V65-L389 WeakPolarHBondContact CG1-O 3.44Å; V65-Y390 HydrophobicContact CB-CD2 4.27Å; V65-Y390 WeakPolarHBondContact O-CD2 3.05Å
66	T	97.9	Very high	95.9	Very high	58 Å²	58	58 Å²	58	36%	0.356	31%	0.314	S	S	.	.	S	Bend	trans	-80.7	117.6	177.4	-57.3	0	0	0	0	108.8	S62 V63 N440 V441	S62-T66 PolarHBondContact O-N 2.84Å; S62-T66 PolarHBondContact O-OG1 3.42Å; V63-T66 PolarHBondContact O-N 2.86Å; T66-N440 CarbonylContact O-C 3.5Å; T66-N440 VanDerWaalsContact O-CA 3.31Å; T66-N440 WeakPolarHBondContact O-CA 3.28Å; T66-N440 WeakPolarHBondContact O-CB 3.42Å; T66-V441 HydrophobicContact CG2-CB 3.96Å; T66-V441 HydrophobicContact CG2-CG1 4.19Å; T66-V441 HydrophobicContact CG2-CG2 4.38Å; T66-V441 PolarHBondContact O-N 3.03Å
67	K	97.1	Very high	95.9	Very high	108 Å²	108	58.5 Å²	58.5	47%	0.47	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-62.9	152	177.4	-68.1	-175.3	175.4	-171.8	0	111.7	V65 S69 Y390 P392	V65-K67 PolarHBondContact O-N 3.41Å; K67-S69 PolarHBondContact O-N 2.82Å; K67-Y390 HydrophobicContact CG-CE2 3.84Å; K67-P392 WeakPolarHBondContact CE-O 3.26Å; K67-P392 PolarHBondContact NZ-O 3.43Å
68	C	97.1	Very high	95.7	Very high	14 Å²	14	54.4 Å²	54.4	10%	0.095	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-56.9	130.9	172.3	-172.5	0	0	0	0	111.4	I70 M439 N440 L507	C68-I70 VanDerWaalsContact C-N 3.32Å; C68-M439 HydrophobicContact CB-CB 4.1Å; C68-M439 WeakPolarHBondContact CB-O 3.38Å; C68-M439 PolarHBondContact N-O 2.76Å; C68-N440 WeakPolarHBondContact CB-O 3.45Å; C68-L507 VanDerWaalsContact SG-CD2 3.51Å
69	S	95.7	Very high	95.6	Very high	110 Å²	110	55 Å²	55	77%	0.769	30%	0.304	S	S	*	.			trans	-81.4	-9.5	-179.9	63.5	0	0	0	0	114	K67	K67-S69 PolarHBondContact O-N 2.82Å
70	I	97.9	Very high	95.4	Very high	41 Å²	41	52.5 Å²	52.5	21%	0.21	30%	0.302	C	S	.	.	S	Bend	trans	-67.6	140.6	174	-60.4	176.6	0	0	0	107.9	C68 T72 P503 R504 L507	C68-I70 VanDerWaalsContact C-N 3.32Å; I70-T72 PolarHBondContact O-N 3.38Å; I70-P503 HydrophobicContact CD1-CB 4.24Å; I70-P503 HydrophobicContact CG2-CB 3.83Å; I70-R504 HydrophobicContact CB-CG 4.26Å; I70-R504 HydrophobicContact CD1-CG 4.48Å; I70-R504 HydrophobicContact CG2-CG 3.93Å; I70-R504 PolarHBondContact O-NH2 3.41Å; I70-L507 HydrophobicContact CD1-CB 4.14Å; I70-L507 HydrophobicContact CD1-CD2 3.88Å
71	P	97.4	Very high	95.2	Very high	107 Å²	107	51.9 Å²	51.9	70%	0.695	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-48.4	142.6	173.4	-29	36	0	0	0	112.4	R504	P71-R504 PolarHBondContact O-NE 3.33Å
72	T	97.8	Very high	95.1	Very high	67 Å²	67	54.6 Å²	54.6	41%	0.411	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63.8	148.3	175.6	50	0	0	0	0	110.4	I70 M74 D437	I70-T72 PolarHBondContact O-N 3.38Å; T72-M74 VanDerWaalsContact CB-O 3.28Å; T72-M74 WeakPolarHBondContact CB-O 3.29Å; T72-M74 PolarHBondContact OG1-O 2.86Å; T72-D437 WeakPolarHBondContact CA-OD1 3.17Å; T72-D437 WeakPolarHBondContact CB-OD1 3.19Å; T72-D437 WeakPolarHBondContact CB-OD2 3.37Å; T72-D437 HydrophobicContact CG2-CB 4.34Å
73	V	97.6	Very high	94.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-66.4	-47.9	172.3	-175.6	0	0	0	0	108.8	L436 D437 L497 R500 M501	V73-L436 HydrophobicContact CG2-CB 4.12Å; V73-L436 HydrophobicContact CG2-CD1 4.28Å; V73-D437 PolarHBondContact N-OD1 2.9Å; V73-D437 PolarHBondContact N-OD2 3.21Å; V73-L497 HydrophobicContact CG1-CD2 4.3Å; V73-R500 HydrophobicContact CG1-CB 4.17Å; V73-R500 WeakPolarHBondContact O-CD 3.4Å; V73-R500 PolarHBondContact O-NH1 2.93Å; V73-M501 HydrophobicContact CB-CG 4.38Å; V73-M501 HydrophobicContact CG1-CG 3.48Å; V73-M501 VanDerWaalsContact CG1-CG 3.48Å; V73-M501 HydrophobicContact CG2-CB 4.44Å; V73-M501 HydrophobicContact CG2-CG 3.97Å
74	M	96.4	Very high	94.7	Very high	19 Å²	19	54.5 Å²	54.5	9%	0.094	31%	0.312	C	S	.	.	S	Bend	trans	-94.2	150.6	-177.2	-53.5	-49.2	-52.8	0	0	111.1	T72 E430 D437 L497	T72-M74 VanDerWaalsContact CB-O 3.28Å; T72-M74 WeakPolarHBondContact CB-O 3.29Å; T72-M74 PolarHBondContact OG1-O 2.86Å; M74-E430 HydrophobicContact CE-CB 4.22Å; M74-E430 HydrophobicContact CE-CG 3.59Å; M74-E430 HydrophobicContact SD-CG 4.23Å; M74-D437 WeakPolarHBondContact CB-OD2 3.4Å; M74-D437 PolarHBondContact N-OD2 3.47Å; M74-L497 HydrophobicContact CE-CD2 4.34Å; M74-L497 HydrophobicContact SD-CD2 4Å
75	N	94.5	Very high	94.6	Very high	96 Å²	96	54.8 Å²	54.8	51%	0.513	31%	0.314	S	S	.	.			trans	-90.2	114.3	161.5	-175.2	-0.8	0	0	0	107.3	S77 A80	N75-S77 VanDerWaalsContact C-N 3.25Å; N75-S77 PolarHBondContact O-N 2.93Å; N75-S77 PolarHBondContact OD1-N 2.86Å; N75-S77 VanDerWaalsContact OD1-N 3.11Å; N75-A80 HydrophobicContact CB-CB 3.58Å; N75-A80 VanDerWaalsContact CG-CB 3.49Å; N75-A80 WeakPolarHBondContact ND2-CB 3.38Å
76	H	92.7	Very high	94.5	Very high	50 Å²	50	52.7 Å²	52.7	23%	0.231	30%	0.301	C	S	.	.			trans	-83	-0.5	-177.2	-66.5	-89.1	0	0	0	112.8	E394 H434 D437	H76-E394 IonicContact ND1-OE2 3.93Å; H76-H434 AromaticContact CE1-CE1 3.65Å; H76-H434 AromaticContact CE1-ND1 3.65Å; H76-H434 AromaticContact ND1-CE1 3.67Å; H76-D437 IonicContact CD2-OD2 2.9Å; H76-D437 IonicContact CE1-OD2 2.61Å; H76-D437 IonicContact NE2-OD2 3.69Å; H76-D437 PolarHBondContact NE2-OD2 3.05Å
77	S	92.1	Very high	94.5	Very high	42 Å²	42	50.1 Å²	50.1	29%	0.294	28%	0.284	S	S	.	.	S	Bend	trans	-69.1	139	171.8	118	0	0	0	0	110.3	N75 E79 A80	N75-S77 VanDerWaalsContact C-N 3.25Å; N75-S77 PolarHBondContact O-N 2.93Å; N75-S77 PolarHBondContact OD1-N 2.86Å; N75-S77 VanDerWaalsContact OD1-N 3.11Å; S77-E79 VanDerWaalsContact CB-OE2 3.26Å; S77-E79 WeakPolarHBondContact CB-OE2 3.36Å; S77-E79 PolarHBondContact O-N 2.89Å; S77-E79 PolarHBondContact OG-N 3.5Å; S77-E79 PolarHBondContact OG-OE2 2.82Å; S77-A80 WeakPolarHBondContact O-CB 2.98Å; S77-A80 PolarHBondContact O-N 3.48Å
78	Y	88.9	Confident	94.5	Very high	60 Å²	60	45.2 Å²	45.2	24%	0.235	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26	-177.4	70.5	-91.6	0	0	0	112.1	A80 V81 E227	Y78-A80 PolarHBondContact O-N 3.27Å; Y78-V81 WeakPolarHBondContact O-CB 3.25Å; Y78-V81 PolarHBondContact O-N 3.32Å; Y78-E227 HydrophobicContact CD1-CB 4.4Å; Y78-E227 HydrophobicContact CD1-CG 3.59Å; Y78-E227 HydrophobicContact CD2-CB 3.64Å; Y78-E227 HydrophobicContact CD2-CG 3.74Å; Y78-E227 HydrophobicContact CE1-CB 4.33Å; Y78-E227 HydrophobicContact CE1-CG 3.62Å; Y78-E227 HydrophobicContact CE2-CB 3.53Å; Y78-E227 HydrophobicContact CE2-CG 3.77Å; Y78-E227 HydrophobicContact CG-CB 4.09Å; Y78-E227 HydrophobicContact CG-CG 3.66Å
79	E	89.9	Confident	94.5	Very high	120 Å²	120	44.8 Å²	44.8	56%	0.561	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-68.1	-21	175.5	-56.8	91.5	155.6	0	0	113.1	S77	S77-E79 VanDerWaalsContact CB-OE2 3.26Å; S77-E79 WeakPolarHBondContact CB-OE2 3.36Å; S77-E79 PolarHBondContact O-N 2.89Å; S77-E79 PolarHBondContact OG-N 3.5Å; S77-E79 PolarHBondContact OG-OE2 2.82Å
80	A	91.2	Very high	94.6	Very high	52 Å²	52	40 Å²	40	43%	0.43	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-86.4	-11.6	177	0	0	0	0	0	113.4	N75 S77 Y78	N75-A80 HydrophobicContact CB-CB 3.58Å; N75-A80 VanDerWaalsContact CG-CB 3.49Å; N75-A80 WeakPolarHBondContact ND2-CB 3.38Å; S77-A80 WeakPolarHBondContact O-CB 2.98Å; S77-A80 PolarHBondContact O-N 3.48Å; Y78-A80 PolarHBondContact O-N 3.27Å
81	V	91.4	Very high	94.5	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.115	22%	0.218	C	C	.	.	S	Bend	trans	-74.7	130.8	177.8	-178.7	0	0	0	0	108.9	Y78 P83 M85 F86 R101	Y78-V81 WeakPolarHBondContact O-CB 3.25Å; Y78-V81 PolarHBondContact O-N 3.32Å; V81-P83 WeakPolarHBondContact O-CD 3.31Å; V81-M85 HydrophobicContact CG1-CB 4.28Å; V81-F86 HydrophobicContact CG1-CB 4.25Å; V81-R101 HydrophobicContact CG1-CB 4.27Å; V81-R101 HydrophobicContact CG2-CB 4.25Å
82	D	92.5	Very high	94.4	Very high	80 Å²	80	33.5 Å²	33.5	43%	0.428	19%	0.186	S	C	.	.			trans	-51.4	126	170.6	-179	-36.5	0	0	0	109.1	S84 M85 F86	D82-S84 PolarHBondContact O-N 3.23Å; D82-S84 WeakPolarHBondContact OD1-CB 3.33Å; D82-S84 PolarHBondContact OD1-N 2.77Å; D82-S84 PolarHBondContact OD1-OG 3.37Å; D82-S84 PolarHBondContact OD2-OG 2.73Å; D82-M85 HydrophobicContact CB-CB 4.19Å; D82-M85 HydrophobicContact CB-CG 4.26Å; D82-M85 CarbonylContact O-C 3.47Å; D82-M85 WeakPolarHBondContact O-CA 3.29Å; D82-M85 WeakPolarHBondContact O-CB 3.5Å; D82-M85 PolarHBondContact O-N 3.22Å; D82-F86 PolarHBondContact O-N 2.9Å
83	P	93.3	Very high	94.3	Very high	35 Å²	35	31 Å²	31	23%	0.227	17%	0.17	C	C	.	.	H	α-helix	trans	-50.7	-33.8	179.6	-30.8	36.8	0	0	0	114.7	V81 M85 P169	V81-P83 WeakPolarHBondContact O-CD 3.31Å; P83-M85 PolarHBondContact O-N 3.38Å; P83-P169 HydrophobicContact CB-CB 4.2Å
84	S	92.6	Very high	94.3	Very high	19 Å²	19	31.2 Å²	31.2	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-25.7	175.6	68.5	0	0	0	0	113.2	D82 K167	D82-S84 PolarHBondContact O-N 3.23Å; D82-S84 WeakPolarHBondContact OD1-CB 3.33Å; D82-S84 PolarHBondContact OD1-N 2.77Å; D82-S84 PolarHBondContact OD1-OG 3.37Å; D82-S84 PolarHBondContact OD2-OG 2.73Å; S84-K167 PolarHBondContact O-NZ 2.98Å
85	M	94.9	Very high	94.4	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.034	17%	0.168	C	C	.	.	H	α-helix	trans	-101.9	-8.9	-177.3	-68.8	-64	-70	0	0	113.9	V81 D82 P83 Y90 R101 K147 F396 L427	V81-M85 HydrophobicContact CG1-CB 4.28Å; D82-M85 HydrophobicContact CB-CB 4.19Å; D82-M85 HydrophobicContact CB-CG 4.26Å; D82-M85 CarbonylContact O-C 3.47Å; D82-M85 WeakPolarHBondContact O-CA 3.29Å; D82-M85 WeakPolarHBondContact O-CB 3.5Å; D82-M85 PolarHBondContact O-N 3.22Å; P83-M85 PolarHBondContact O-N 3.38Å; M85-Y90 VanDerWaalsContact O-CE2 3.26Å; M85-Y90 WeakPolarHBondContact O-CE2 2.89Å; M85-Y90 PolarHBondContact O-OH 3.16Å; M85-R101 WeakPolarHBondContact O-CD 3.31Å; M85-K147 HydrophobicContact SD-CB 4.36Å; M85-K147 HydrophobicContact SD-CD 4.25Å; M85-K147 HydrophobicContact SD-CG 3.65Å; M85-F396 HydrophobicContact CE-CE1 3.99Å; M85-F396 HydrophobicContact CE-CZ 3.81Å; M85-L427 HydrophobicContact CE-CD1 3.72Å
86	F	96.1	Very high	94.5	Very high	3 Å²	3	26 Å²	26	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-53.7	178.2	176.2	-87.1	0	0	0	111	V81 D82 Y90 G100 R101 P174 L228	V81-F86 HydrophobicContact CG1-CB 4.25Å; D82-F86 PolarHBondContact O-N 2.9Å; F86-Y90 WeakPolarHBondContact O-CE2 3.41Å; F86-G100 CarbonylContact O-C 3.49Å; F86-G100 WeakPolarHBondContact O-CA 3.06Å; F86-R101 PolarHBondContact O-N 3.5Å; F86-P174 HydrophobicContact CB-CB 3.78Å; F86-P174 HydrophobicContact CB-CG 3.66Å; F86-P174 HydrophobicContact CD1-CB 3.43Å; F86-P174 VanDerWaalsContact CD1-CB 3.43Å; F86-P174 HydrophobicContact CD1-CG 3.47Å; F86-P174 VanDerWaalsContact CD1-CG 3.47Å; F86-P174 HydrophobicContact CD2-CG 3.85Å; F86-P174 HydrophobicContact CE1-CB 4.19Å; F86-P174 HydrophobicContact CE1-CG 4.05Å; F86-P174 HydrophobicContact CE2-CG 4.37Å; F86-P174 HydrophobicContact CG-CB 3.69Å; F86-P174 HydrophobicContact CG-CG 3.35Å; F86-P174 HydrophobicContact CZ-CG 4.46Å; F86-L228 HydrophobicContact CD1-CD2 4.48Å; F86-L228 HydrophobicContact CE1-CD1 4.48Å; F86-L228 HydrophobicContact CE1-CD2 3.79Å; F86-L228 HydrophobicContact CE1-CG 4.43Å; F86-L228 HydrophobicContact CZ-CD2 4.13Å; F86-L228 HydrophobicContact CZ-CG 4.45Å
87	W	96.8	Very high	94.8	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.8	175.6	-72.8	120.2	0	0	0	111	Y90 M98 P106 K167 W177 L228 F308	W87-Y90 VanDerWaalsContact C-CE2 3.49Å; W87-M98 HydrophobicContact CB-CE 3.65Å; W87-M98 HydrophobicContact CG-CE 4.21Å; W87-P106 HydrophobicContact CH2-CB 4.05Å; W87-P106 HydrophobicContact CH2-CG 3.96Å; W87-K167 HydrophobicContact CB-CD 3.86Å; W87-K167 PolarHBondContact O-NZ 3.42Å; W87-W177 AromaticContact CD1-CD1 3.61Å; W87-W177 AromaticContact CD2-CD1 3.73Å; W87-W177 AromaticContact CD2-NE1 3.54Å; W87-W177 AromaticContact CE2-CD1 3.77Å; W87-W177 AromaticContact CE2-NE1 3.5Å; W87-W177 AromaticContact CE3-NE1 3.88Å; W87-W177 AromaticContact CG-CD1 3.64Å; W87-W177 AromaticContact CG-NE1 3.98Å; W87-W177 AromaticContact CZ2-NE1 3.8Å; W87-W177 AromaticContact NE1-CD1 3.67Å; W87-W177 AromaticContact NE1-NE1 3.88Å; W87-L228 HydrophobicContact CH2-CD1 3.7Å; W87-L228 HydrophobicContact CZ2-CD1 3.39Å; W87-L228 HydrophobicContact CZ2-CD2 3.83Å; W87-L228 HydrophobicContact CZ2-CG 4.26Å; W87-F308 HydrophobicContact CH2-CE2 4.39Å; W87-F308 HydrophobicContact CH2-CZ 4.37Å; W87-F308 AromaticContact CZ2-CE1 3.91Å; W87-F308 HydrophobicContact CZ2-CE1 3.91Å; W87-F308 HydrophobicContact CZ2-CE2 4.06Å; W87-F308 AromaticContact CZ2-CZ 3.66Å; W87-F308 HydrophobicContact CZ2-CZ 3.66Å
88	G	97.4	Very high	95	Very high	4 Å²	4	22 Å²	22	4%	0.041	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-178.8	169.5	0	0	0	0	0	112.9	Y90 M98 G99	G88-Y90 VanDerWaalsContact N-CE2 3.35Å; G88-Y90 PolarHBondContact O-N 3.31Å; G88-M98 WeakPolarHBondContact O-CA 3.41Å; G88-M98 WeakPolarHBondContact O-CG 3.35Å; G88-G99 PolarHBondContact N-O 3.44Å; G88-G99 PolarHBondContact O-N 3.44Å
89	T	97.2	Very high	95.4	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.031	11%	0.111	C	C	.	.	S	Bend	trans	-75.5	41	174.6	57.6	0	0	0	0	111.2	R91 G97 W141 H144 M165 W179	T89-R91 PolarHBondContact O-N 3.08Å; T89-G97 WeakPolarHBondContact CA-O 3.49Å; T89-W141 HydrophobicContact CG2-CH2 3.5Å; T89-W141 VanDerWaalsContact CG2-CH2 3.5Å; T89-W141 HydrophobicContact CG2-CZ2 3.51Å; T89-H144 PolarHBondContact OG1-NE2 2.96Å; T89-M165 HydrophobicContact CG2-CE 4.04Å; T89-W179 HydrophobicContact CG2-CH2 4.28Å; T89-W179 HydrophobicContact CG2-CZ2 4.06Å
90	Y	97.6	Very high	95.6	Very high	9 Å²	9	13.7 Å²	13.7	4%	0.035	9%	0.086	C	C	.	.			trans	-77.4	16.2	-167	-56.2	-33.2	0	0	0	114.6	M85 F86 W87 G88 G99 R101 L370 S371 Y372 F396	M85-Y90 VanDerWaalsContact O-CE2 3.26Å; M85-Y90 WeakPolarHBondContact O-CE2 2.89Å; M85-Y90 PolarHBondContact O-OH 3.16Å; F86-Y90 WeakPolarHBondContact O-CE2 3.41Å; W87-Y90 VanDerWaalsContact C-CE2 3.49Å; G88-Y90 VanDerWaalsContact N-CE2 3.35Å; G88-Y90 PolarHBondContact O-N 3.31Å; Y90-G99 WeakPolarHBondContact CD2-O 3.5Å; Y90-R101 HydrophobicContact CD2-CG 3.82Å; Y90-R101 HydrophobicContact CE2-CG 3.49Å; Y90-R101 VanDerWaalsContact CE2-CG 3.49Å; Y90-L370 WeakPolarHBondContact CA-O 3.48Å; Y90-L370 HydrophobicContact CD1-CB 4.02Å; Y90-L370 HydrophobicContact CE1-CB 4.01Å; Y90-S371 WeakPolarHBondContact O-CA 3.47Å; Y90-Y372 PolarHBondContact O-N 3.43Å; Y90-F396 AromaticContact CD1-CE2 3.78Å; Y90-F396 HydrophobicContact CD1-CE2 3.78Å; Y90-F396 AromaticContact CE1-CE2 3.47Å; Y90-F396 HydrophobicContact CE1-CE2 3.47Å; Y90-F396 VanDerWaalsContact CE1-CE2 3.47Å; Y90-F396 AromaticContact CE1-CZ 3.79Å; Y90-F396 HydrophobicContact CE1-CZ 3.79Å; Y90-F396 HydrophobicContact CE2-CE2 4.31Å; Y90-F396 HydrophobicContact CG-CE2 4.33Å; Y90-F396 AromaticContact CZ-CE2 3.74Å; Y90-F396 AromaticContact CZ-CZ 3.97Å
91	R	96.7	Very high	95.8	Very high	9 Å²	9	11.7 Å²	11.7	3%	0.034	7%	0.067	C	C	.	.			trans	-120.3	56.5	174.1	-61.1	-174.1	70.6	-168.3	6.8	109	T89 N93 L94 F108 Y201 E454	T89-R91 PolarHBondContact O-N 3.08Å; R91-N93 WeakPolarHBondContact CA-OD1 3.41Å; R91-N93 PolarHBondContact O-N 3.37Å; R91-N93 PolarHBondContact O-OD1 2.92Å; R91-L94 HydrophobicContact CB-CD1 4.3Å; R91-L94 HydrophobicContact CB-CG 4.37Å; R91-L94 PolarHBondContact O-N 3.35Å; R91-F108 PolarHBondContact NH1-O 3.31Å; R91-F108 VanDerWaalsContact NH1-O 3.08Å; R91-Y201 PolarHBondContact NH1-OH 3.37Å; R91-E454 IonicContact CZ-OE1 3.81Å; R91-E454 IonicContact NE-OE1 3.73Å; R91-E454 IonicContact NE-OE2 3.39Å; R91-E454 IonicContact NH2-OE1 2.67Å; R91-E454 PolarHBondContact NH2-OE1 3.18Å; R91-E454 IonicContact NH2-OE2 2.86Å
92	A	95.3	Very high	96	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.033	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.5	-172.6	0	0	0	0	0	113.4	L94 S371 V399 K402	A92-L94 PolarHBondContact O-N 3.4Å; A92-S371 WeakPolarHBondContact CB-OG 3.38Å; A92-V399 HydrophobicContact CB-CG2 4.15Å; A92-K402 HydrophobicContact CB-CD 4.47Å; A92-K402 HydrophobicContact CB-CG 4.18Å; A92-K402 WeakPolarHBondContact O-CB 3.43Å; A92-K402 WeakPolarHBondContact O-CG 3.03Å
93	N	95.7	Very high	96	Very high	13 Å²	13	9.5 Å²	9.5	7%	0.07	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.3	168.7	61.6	-55.4	0	0	0	113.3	R91 W129 C130 P406 E454	R91-N93 WeakPolarHBondContact CA-OD1 3.41Å; R91-N93 PolarHBondContact O-N 3.37Å; R91-N93 PolarHBondContact O-OD1 2.92Å; N93-W129 HydrophobicContact CB-CE3 3.86Å; N93-W129 HydrophobicContact CB-CZ3 3.73Å; N93-W129 VanDerWaalsContact ND2-CH2 3.33Å; N93-W129 WeakPolarHBondContact ND2-CH2 3.33Å; N93-W129 WeakPolarHBondContact ND2-CZ3 3.49Å; N93-W129 CarbonylContact O-C 3.56Å; N93-W129 WeakPolarHBondContact O-CA 3.38Å; N93-C130 PolarHBondContact O-N 3.37Å; N93-P406 HydrophobicContact CB-CB 3.82Å; N93-P406 HydrophobicContact CB-CG 4.26Å; N93-E454 PolarHBondContact ND2-OE1 3.47Å
94	L	97.3	Very high	96	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.031	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-100.3	153.3	179.9	-54.3	-173.4	0	0	0	111.5	R91 A92 H128 W129 C130 Y201	R91-L94 HydrophobicContact CB-CD1 4.3Å; R91-L94 HydrophobicContact CB-CG 4.37Å; R91-L94 PolarHBondContact O-N 3.35Å; A92-L94 PolarHBondContact O-N 3.4Å; L94-H128 WeakPolarHBondContact CA-O 3.49Å; L94-H128 WeakPolarHBondContact CD2-NE2 3.49Å; L94-W129 HydrophobicContact CD2-CD2 4.11Å; L94-W129 HydrophobicContact CD2-CG 4.12Å; L94-C130 VanDerWaalsContact C-SG 3.51Å; L94-C130 PolarHBondContact O-SG 3.32Å; L94-Y201 VanDerWaalsContact CD1-OH 3.26Å; L94-Y201 WeakPolarHBondContact CD1-OH 3.5Å
95	Y	97.5	Very high	96.1	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.016	6%	0.061	C	C	.	.	S	Bend	trans	-63.9	-44.1	173.9	-75.5	-62	0	0	0	112.2	W112 R127 H128 W129 C130 N131 D134 L136 H139 Q152	Y95-W112 HydrophobicContact CD1-CH2 4.48Å; Y95-W112 AromaticContact CD2-CH2 3.73Å; Y95-W112 HydrophobicContact CD2-CH2 3.73Å; Y95-W112 HydrophobicContact CD2-CZ2 4.4Å; Y95-W112 HydrophobicContact CD2-CZ3 4.35Å; Y95-W112 AromaticContact CG-CH2 3.67Å; Y95-W112 HydrophobicContact CG-CH2 3.67Å; Y95-W112 HydrophobicContact CG-CZ3 4.35Å; Y95-R127 HydrophobicContact CD2-CB 4.17Å; Y95-R127 HydrophobicContact CE2-CB 4.23Å; Y95-H128 PolarHBondContact N-O 3.24Å; Y95-W129 WeakPolarHBondContact CE2-O 3.47Å; Y95-C130 HydrophobicContact CE1-CB 4.31Å; Y95-N131 PolarHBondContact OH-N 3.03Å; Y95-N131 VanDerWaalsContact OH-N 3.16Å; Y95-N131 PolarHBondContact OH-O 2.94Å; Y95-D134 PolarHBondContact OH-OD2 3.36Å; Y95-L136 HydrophobicContact CD1-CD2 4.16Å; Y95-L136 HydrophobicContact CE1-CD2 3.57Å; Y95-L136 HydrophobicContact CE2-CD2 4.4Å; Y95-H139 HydrophobicContact CD1-CB 4.16Å; Y95-H139 AromaticContact CD1-CD2 3.97Å; Y95-H139 HydrophobicContact CE1-CB 4.13Å; Y95-H139 AromaticContact CE1-CD2 3.77Å; Y95-H139 AromaticContact CE1-CG 3.71Å; Y95-H139 AromaticContact CE1-ND1 3.94Å; Y95-Q152 PolarHBondContact O-NE2 3.25Å; Y95-Q152 PolarHBondContact O-OE1 2.78Å; Y95-Q152 VanDerWaalsContact O-OE1 3.05Å
96	I	98.2	Very high	96.2	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.06	C	C	.	.	S	Bend	trans	-136.8	111.6	173.9	-56.6	173.2	0	0	0	106.8	G109 V110 W112 I154 A163 W179 I181	I96-G109 WeakPolarHBondContact O-CA 3.45Å; I96-V110 HydrophobicContact CB-CB 4.01Å; I96-V110 HydrophobicContact CB-CG2 4.16Å; I96-V110 HydrophobicContact CD1-CB 4.36Å; I96-V110 HydrophobicContact CG2-CB 4.11Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å; I96-V110 PolarHBondContact O-N 2.91Å; I96-V110 VanDerWaalsContact O-N 3.08Å; I96-W112 HydrophobicContact CD1-CZ3 4.44Å; I96-I154 HydrophobicContact CD1-CD1 4.01Å; I96-I154 HydrophobicContact CG1-CD1 3.88Å; I96-A163 HydrophobicContact CD1-CB 3.71Å; I96-A163 HydrophobicContact CG1-CB 4.23Å; I96-W179 HydrophobicContact CG2-CD2 4.3Å; I96-W179 HydrophobicContact CG2-CE3 4.07Å; I96-W179 HydrophobicContact CG2-CH2 3.9Å; I96-W179 HydrophobicContact CG2-CZ2 4.19Å; I96-W179 HydrophobicContact CG2-CZ3 3.89Å; I96-I181 HydrophobicContact CD1-CD1 4.06Å
97	G	97.5	Very high	96.3	Very high	5 Å²	5	11.4 Å²	11.4	5%	0.052	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.2	-177.6	0	0	0	0	0	111.1	T89	T89-G97 WeakPolarHBondContact CA-O 3.49Å
98	M	97.3	Very high	96.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.015	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.1	177.2	-169.2	158.9	-173.2	0	0	109.5	W87 G88 F108 K167 W177 W179	W87-M98 HydrophobicContact CB-CE 3.65Å; W87-M98 HydrophobicContact CG-CE 4.21Å; G88-M98 WeakPolarHBondContact O-CA 3.41Å; G88-M98 WeakPolarHBondContact O-CG 3.35Å; M98-F108 HydrophobicContact CB-CB 4.2Å; M98-F108 HydrophobicContact CB-CD1 3.91Å; M98-F108 PolarHBondContact N-O 2.85Å; M98-F108 PolarHBondContact O-N 3.39Å; M98-K167 HydrophobicContact CE-CD 3.99Å; M98-K167 HydrophobicContact CE-CG 4.15Å; M98-W177 HydrophobicContact CE-CB 3.53Å; M98-W177 HydrophobicContact CE-CD2 3.52Å; M98-W177 HydrophobicContact CE-CE3 4.19Å; M98-W177 HydrophobicContact CE-CG 3.22Å; M98-W177 HydrophobicContact SD-CB 4.35Å; M98-W177 HydrophobicContact SD-CD2 3.32Å; M98-W177 HydrophobicContact SD-CE3 3.47Å; M98-W177 HydrophobicContact SD-CG 3.76Å; M98-W177 HydrophobicContact SD-CH2 4.18Å; M98-W177 HydrophobicContact SD-CZ2 4.05Å; M98-W177 HydrophobicContact SD-CZ3 3.93Å; M98-W179 PolarHBondContact SD-NE1 3.22Å
99	G	96.4	Very high	96.4	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.4	-179.5	0	0	0	0	0	111	G88 Y90	G88-G99 PolarHBondContact N-O 3.44Å; G88-G99 PolarHBondContact O-N 3.44Å; Y90-G99 WeakPolarHBondContact CD2-O 3.5Å
100	G	95.4	Very high	96.5	Very high	3 Å²	3	10.9 Å²	10.9	3%	0.031	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	162.3	175.6	0	0	0	0	0	112.3	F86 S102 S105	F86-G100 CarbonylContact O-C 3.49Å; F86-G100 WeakPolarHBondContact O-CA 3.06Å; G100-S102 PolarHBondContact O-N 3.07Å; G100-S105 WeakPolarHBondContact CA-OG 3.44Å; G100-S105 PolarHBondContact N-OG 3.41Å; G100-S105 PolarHBondContact O-OG 3.05Å
101	R	95.5	Very high	96.5	Very high	10 Å²	10	10.4 Å²	10.4	4%	0.038	6%	0.06	C	C	.	.	S	Bend	trans	-82.4	55.1	168.1	-66.1	178.8	64.7	-173.5	10.4	111	V81 M85 F86 Y90 Y372 F396 E430 H434	V81-R101 HydrophobicContact CG1-CB 4.27Å; V81-R101 HydrophobicContact CG2-CB 4.25Å; M85-R101 WeakPolarHBondContact O-CD 3.31Å; F86-R101 PolarHBondContact O-N 3.5Å; Y90-R101 HydrophobicContact CD2-CG 3.82Å; Y90-R101 HydrophobicContact CE2-CG 3.49Å; Y90-R101 VanDerWaalsContact CE2-CG 3.49Å; R101-Y372 HydrophobicContact CB-CD2 4.19Å; R101-Y372 HydrophobicContact CB-CE2 4.47Å; R101-Y372 HydrophobicContact CB-CG 4.5Å; R101-Y372 HydrophobicContact CG-CD2 4.23Å; R101-Y372 HydrophobicContact CG-CG 4.42Å; R101-F396 HydrophobicContact CG-CD2 4.38Å; R101-F396 HydrophobicContact CG-CE2 4.45Å; R101-E430 IonicContact CZ-OE1 2.8Å; R101-E430 IonicContact NH1-OE1 3.99Å; R101-E430 PolarHBondContact NH1-OE1 3.43Å; R101-E430 IonicContact NH1-OE2 3.61Å; R101-E430 VanDerWaalsContact NH2-CD 3.32Å; R101-E430 IonicContact NH2-OE1 3.36Å; R101-E430 PolarHBondContact NH2-OE1 2.85Å; R101-E430 IonicContact NH2-OE2 2.96Å; R101-H434 PolarHBondContact NH2-NE2 3.28Å; R101-H434 VanDerWaalsContact NH2-NE2 3.18Å
102	S	94.9	Very high	96.5	Very high	9 Å²	9	10 Å²	10	6%	0.063	6%	0.058	C	C	.	.	S	Bend	trans	-149	140.8	170.7	164.1	0	0	0	0	108.7	G100 L104 S105 E227	G100-S102 PolarHBondContact O-N 3.07Å; S102-L104 PolarHBondContact O-N 2.96Å; S102-L104 VanDerWaalsContact O-N 3.14Å; S102-L104 PolarHBondContact OG-N 3.4Å; S102-S105 WeakPolarHBondContact O-CB 3.41Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact O-OG 3.21Å; S102-E227 PolarHBondContact OG-OE1 3.29Å
103	P	93.3	Very high	96.5	Very high	44 Å²	44	9.9 Å²	9.9	29%	0.286	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.4	174.7	-28.5	40	0	0	0	114.7	Y372 H374	P103-Y372 VanDerWaalsContact CD-OH 3.24Å; P103-Y372 WeakPolarHBondContact CD-OH 3.43Å; P103-H374 HydrophobicContact CB-CB 4.29Å; P103-H374 WeakPolarHBondContact CB-ND1 3.09Å; P103-H374 HydrophobicContact CG-CB 4.09Å
104	L	93	Very high	96.3	Very high	78 Å²	78	13.2 Å²	13.2	41%	0.408	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-0	-174.3	-54.6	180	0	0	0	112.5	S102	S102-L104 PolarHBondContact O-N 2.96Å; S102-L104 VanDerWaalsContact O-N 3.14Å; S102-L104 PolarHBondContact OG-N 3.4Å
105	S	94.5	Very high	95.9	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.074	C	C	.	.	S	Bend	trans	-60.9	146.1	-178.5	62.9	0	0	0	0	112.4	G100 S102 L107 P205	G100-S105 WeakPolarHBondContact CA-OG 3.44Å; G100-S105 PolarHBondContact N-OG 3.41Å; G100-S105 PolarHBondContact O-OG 3.05Å; S102-S105 WeakPolarHBondContact O-CB 3.41Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact O-OG 3.21Å; S105-L107 PolarHBondContact O-N 3.34Å; S105-P205 VanDerWaalsContact O-CD 3.26Å; S105-P205 WeakPolarHBondContact O-CD 3.28Å; S105-P205 WeakPolarHBondContact O-CG 3.29Å
106	P	97	Very high	95.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-54.8	134.8	172.6	-22.8	29.5	0	0	0	112.1	W87 M202 M203 L204 T225 L228 F231	W87-P106 HydrophobicContact CH2-CB 4.05Å; W87-P106 HydrophobicContact CH2-CG 3.96Å; P106-M202 HydrophobicContact CB-CE 4.29Å; P106-M202 HydrophobicContact CB-CG 4.46Å; P106-M202 HydrophobicContact CB-SD 4.38Å; P106-M203 WeakPolarHBondContact CA-O 3.47Å; P106-L204 HydrophobicContact CB-CD2 3.61Å; P106-L204 HydrophobicContact CG-CD2 3.58Å; P106-T225 HydrophobicContact CG-CG2 4.18Å; P106-L228 HydrophobicContact CG-CD1 3.55Å; P106-F231 HydrophobicContact CG-CE1 4.19Å; P106-F231 HydrophobicContact CG-CZ 4.06Å
107	L	97.7	Very high	94.4	Very high	24 Å²	24	17.5 Å²	17.5	13%	0.126	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	176.4	-54.8	179	0	0	0	109.5	S105 M202 M203 P205 A254	S105-L107 PolarHBondContact O-N 3.34Å; L107-M202 CarbonylContact O-C 3.53Å; L107-M202 WeakPolarHBondContact O-CA 3.35Å; L107-M203 HydrophobicContact CB-CB 4.39Å; L107-M203 PolarHBondContact N-O 3.31Å; L107-M203 PolarHBondContact O-N 2.59Å; L107-P205 HydrophobicContact CD1-CG 3.75Å; L107-P205 HydrophobicContact CG-CG 3.75Å; L107-A254 HydrophobicContact CD1-CB 3.68Å
108	F	98.5	Very high	93.1	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.3	174.8	170.7	-98.6	0	0	0	110.5	R91 M98 V110 W177 W179 F200 Y201 L233 V306	R91-F108 PolarHBondContact NH1-O 3.31Å; R91-F108 VanDerWaalsContact NH1-O 3.08Å; M98-F108 HydrophobicContact CB-CB 4.2Å; M98-F108 HydrophobicContact CB-CD1 3.91Å; M98-F108 PolarHBondContact N-O 2.85Å; M98-F108 PolarHBondContact O-N 3.39Å; F108-V110 HydrophobicContact CE1-CG2 3.84Å; F108-V110 HydrophobicContact CZ-CG2 3.64Å; F108-W177 HydrophobicContact CB-CH2 3.98Å; F108-W177 HydrophobicContact CB-CZ2 4.31Å; F108-W177 AromaticContact CD1-CH2 3.95Å; F108-W177 HydrophobicContact CD1-CH2 3.95Å; F108-W177 HydrophobicContact CD1-CZ3 4.31Å; F108-W177 HydrophobicContact CD2-CH2 4.06Å; F108-W177 HydrophobicContact CE1-CH2 4.46Å; F108-W177 HydrophobicContact CE1-CZ3 4.46Å; F108-W177 AromaticContact CG-CH2 3.72Å; F108-W177 HydrophobicContact CG-CH2 3.72Å; F108-W177 HydrophobicContact CG-CZ3 4.47Å; F108-W179 AromaticContact CE1-CD1 3.95Å; F108-W179 HydrophobicContact CE1-CG 4.39Å; F108-F200 HydrophobicContact CE2-CD1 4.44Å; F108-F200 HydrophobicContact CZ-CD1 4.17Å; F108-Y201 WeakPolarHBondContact CA-O 3.37Å; F108-Y201 WeakPolarHBondContact CD2-O 3.29Å; F108-L233 HydrophobicContact CD2-CD2 3.95Å; F108-L233 HydrophobicContact CE2-CD2 4.12Å; F108-V306 HydrophobicContact CE2-CG1 3.84Å; F108-V306 HydrophobicContact CZ-CB 4.41Å; F108-V306 HydrophobicContact CZ-CG1 3.9Å; F108-V306 HydrophobicContact CZ-CG2 4.32Å
109	G	98.4	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165.4	169.3	0	0	0	0	0	112.8	I96 Y201	I96-G109 WeakPolarHBondContact O-CA 3.45Å; G109-Y201 VanDerWaalsContact CA-CZ 3.5Å; G109-Y201 PolarHBondContact N-O 2.91Å; G109-Y201 WeakPolarHBondContact O-CD1 3.15Å; G109-Y201 PolarHBondContact O-N 2.86Å; G109-Y201 VanDerWaalsContact O-N 3.11Å
110	V	98.5	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.5	178.2	-171.2	0	0	0	0	109.1	I96 F108 F198 I199 F200	I96-V110 HydrophobicContact CB-CB 4.01Å; I96-V110 HydrophobicContact CB-CG2 4.16Å; I96-V110 HydrophobicContact CD1-CB 4.36Å; I96-V110 HydrophobicContact CG2-CB 4.11Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å; I96-V110 PolarHBondContact O-N 2.91Å; I96-V110 VanDerWaalsContact O-N 3.08Å; F108-V110 HydrophobicContact CE1-CG2 3.84Å; F108-V110 HydrophobicContact CZ-CG2 3.64Å; V110-F198 HydrophobicContact CG1-CD1 4.26Å; V110-I199 CarbonylContact C-O 3.53Å; V110-I199 WeakPolarHBondContact CA-O 3.25Å; V110-F200 HydrophobicContact CB-CD1 4.47Å; V110-F200 HydrophobicContact CB-CE1 4.47Å; V110-F200 HydrophobicContact CG1-CD1 4.07Å; V110-F200 HydrophobicContact CG1-CE1 3.78Å; V110-F200 HydrophobicContact CG1-CZ 4.23Å; V110-F200 HydrophobicContact CG2-CD1 3.72Å; V110-F200 HydrophobicContact CG2-CE1 3.82Å
111	M	98.1	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	157.6	169.4	-41.9	-177.6	177.6	0	0	110	I126 R127 H128 F198 I199 Y201 I257 I261	M111-I126 HydrophobicContact CB-CG2 3.74Å; M111-I126 HydrophobicContact CG-CG2 4.33Å; M111-I126 HydrophobicContact SD-CG2 3.92Å; M111-R127 WeakPolarHBondContact CA-O 3.26Å; M111-R127 VanDerWaalsContact CB-O 3.32Å; M111-R127 WeakPolarHBondContact CB-O 3.31Å; M111-H128 HydrophobicContact CB-CB 4.4Å; M111-H128 HydrophobicContact CE-CB 4.35Å; M111-H128 HydrophobicContact CG-CB 3.89Å; M111-H128 HydrophobicContact SD-CB 4.18Å; M111-F198 CarbonylContact O-C 3.58Å; M111-F198 WeakPolarHBondContact O-CA 3.28Å; M111-I199 HydrophobicContact CB-CB 4.14Å; M111-I199 PolarHBondContact N-O 2.84Å; M111-I199 PolarHBondContact O-N 3.33Å; M111-Y201 HydrophobicContact CE-CD1 3.9Å; M111-Y201 HydrophobicContact CE-CE1 3.58Å; M111-Y201 HydrophobicContact CG-CD1 4.43Å; M111-Y201 HydrophobicContact CG-CE1 4.22Å; M111-I257 HydrophobicContact CE-CB 4.34Å; M111-I257 HydrophobicContact CE-CG2 3.42Å; M111-I257 VanDerWaalsContact CE-CG2 3.42Å; M111-I261 HydrophobicContact CE-CG1 4.15Å; M111-I261 HydrophobicContact SD-CG1 4.22Å; M111-I261 HydrophobicContact SD-CG2 4.41Å
112	W	96.6	Very high	88.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.2	169	67.5	93.4	0	0	0	112.2	Y95 I96 R127 L136 I154 D156 L159 I161 S197 F198	Y95-W112 HydrophobicContact CD1-CH2 4.48Å; Y95-W112 AromaticContact CD2-CH2 3.73Å; Y95-W112 HydrophobicContact CD2-CH2 3.73Å; Y95-W112 HydrophobicContact CD2-CZ2 4.4Å; Y95-W112 HydrophobicContact CD2-CZ3 4.35Å; Y95-W112 AromaticContact CG-CH2 3.67Å; Y95-W112 HydrophobicContact CG-CH2 3.67Å; Y95-W112 HydrophobicContact CG-CZ3 4.35Å; I96-W112 HydrophobicContact CD1-CZ3 4.44Å; W112-R127 HydrophobicContact CD2-CB 3.68Å; W112-R127 HydrophobicContact CD2-CG 4.15Å; W112-R127 VanDerWaalsContact CE2-CG 3.46Å; W112-R127 HydrophobicContact CE3-CB 4.05Å; W112-R127 HydrophobicContact CG-CB 4.24Å; W112-R127 HydrophobicContact CG-CG 4.41Å; W112-R127 HydrophobicContact CH2-CB 3.86Å; W112-R127 HydrophobicContact CZ2-CB 3.46Å; W112-R127 VanDerWaalsContact CZ2-CB 3.46Å; W112-R127 HydrophobicContact CZ2-CG 3.72Å; W112-R127 HydrophobicContact CZ3-CB 4.14Å; W112-R127 PolarHBondContact N-O 2.91Å; W112-R127 VanDerWaalsContact N-O 3.14Å; W112-R127 VanDerWaalsContact NE1-CG 3.3Å; W112-R127 PolarHBondContact O-N 3.42Å; W112-L136 HydrophobicContact CZ2-CD2 4.48Å; W112-I154 HydrophobicContact CH2-CD1 3.95Å; W112-I154 HydrophobicContact CH2-CG2 4.11Å; W112-I154 HydrophobicContact CZ2-CG2 3.9Å; W112-I154 HydrophobicContact CZ3-CD1 4.49Å; W112-D156 PolarHBondContact NE1-OD2 3.37Å; W112-L159 HydrophobicContact CG-CD2 4.45Å; W112-I161 HydrophobicContact CD2-CD1 3.73Å; W112-I161 HydrophobicContact CE3-CD1 4.14Å; W112-I161 HydrophobicContact CG-CD1 4.17Å; W112-I161 HydrophobicContact CH2-CD1 4.31Å; W112-I161 HydrophobicContact CZ2-CD1 3.92Å; W112-I161 HydrophobicContact CZ3-CD1 4.42Å; W112-S197 CarbonylContact C-O 3.59Å; W112-S197 WeakPolarHBondContact CA-O 3.26Å; W112-S197 WeakPolarHBondContact CB-O 3.4Å; W112-F198 HydrophobicContact CB-CD1 3.73Å; W112-F198 HydrophobicContact CB-CE1 3.77Å; W112-F198 HydrophobicContact CB-CG 4.15Å; W112-F198 HydrophobicContact CB-CZ 4.23Å; W112-F198 HydrophobicContact CG-CE1 4.18Å
113	Y	94.7	Very high	88.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157	173	61.7	-84.8	0	0	0	110.9	Q115 P124 I126 S197 I199 M265 L278 Q295	Y113-Q115 HydrophobicContact CE2-CG 4.38Å; Y113-Q115 PolarHBondContact OH-NE2 3.43Å; Y113-P124 HydrophobicContact CD1-CB 4.46Å; Y113-P124 HydrophobicContact CD2-CB 3.46Å; Y113-P124 VanDerWaalsContact CD2-CB 3.46Å; Y113-P124 HydrophobicContact CD2-CG 4.42Å; Y113-P124 HydrophobicContact CE2-CB 3.99Å; Y113-P124 HydrophobicContact CG-CB 3.73Å; Y113-I126 HydrophobicContact CD1-CG1 4.05Å; Y113-I126 HydrophobicContact CG-CG1 4.35Å; Y113-S197 VanDerWaalsContact CZ-CB 3.42Å; Y113-S197 PolarHBondContact N-O 2.93Å; Y113-S197 PolarHBondContact O-N 2.91Å; Y113-I199 HydrophobicContact CE1-CD1 4.04Å; Y113-I199 HydrophobicContact CE1-CG1 4.43Å; Y113-M265 HydrophobicContact CD1-CE 4.4Å; Y113-M265 HydrophobicContact CE1-CE 3.51Å; Y113-M265 HydrophobicContact CE2-CE 4.1Å; Y113-M265 WeakPolarHBondContact OH-CE 3.49Å; Y113-L278 HydrophobicContact CE2-CB 4.36Å; Y113-L278 HydrophobicContact CE2-CD2 4.1Å; Y113-L278 PolarHBondContact OH-O 3.49Å; Y113-Q295 PolarHBondContact OH-NE2 2.99Å; Y113-Q295 PolarHBondContact OH-OE1 3.36Å
114	L	91.8	Very high	88.1	Confident	83 Å²	83	45.6 Å²	45.6	44%	0.435	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.2	170.4	-176.4	61.1	0	0	0	109.4	P194 Y196	L114-P194 HydrophobicContact CD1-CB 4.23Å; L114-P194 HydrophobicContact CD1-CG 3.85Å; L114-P194 VanDerWaalsContact CD1-O 3.28Å; L114-P194 WeakPolarHBondContact CD1-O 3.18Å; L114-P194 HydrophobicContact CD2-CG 4.26Å; L114-P194 HydrophobicContact CG-CG 4.04Å; L114-Y196 HydrophobicContact CB-CD1 4.14Å; L114-Y196 HydrophobicContact CB-CE1 3.81Å; L114-Y196 HydrophobicContact CD1-CD1 4.04Å; L114-Y196 HydrophobicContact CD1-CD2 4.14Å; L114-Y196 HydrophobicContact CD1-CE1 3.75Å; L114-Y196 HydrophobicContact CD1-CE2 3.82Å; L114-Y196 HydrophobicContact CD1-CG 4.25Å; L114-Y196 HydrophobicContact CG-CE1 4.32Å
115	Q	89.8	Confident	88	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.033	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.7	149.7	172.8	-71.8	-76.9	-12.4	0	0	110.9	Y113 P194 P195 S197 L277 L278 T297	Y113-Q115 HydrophobicContact CE2-CG 4.38Å; Y113-Q115 PolarHBondContact OH-NE2 3.43Å; Q115-P194 HydrophobicContact CB-CB 4.32Å; Q115-P194 WeakPolarHBondContact O-CB 3.23Å; Q115-P194 WeakPolarHBondContact O-CG 3.07Å; Q115-P195 HydrophobicContact CB-CG 4.12Å; Q115-P195 WeakPolarHBondContact CB-O 3.33Å; Q115-P195 HydrophobicContact CG-CG 4.08Å; Q115-P195 VanDerWaalsContact CG-O 3.29Å; Q115-P195 WeakPolarHBondContact CG-O 3.33Å; Q115-P195 PolarHBondContact N-O 2.83Å; Q115-S197 PolarHBondContact NE2-OG 3.41Å; Q115-L277 HydrophobicContact CG-CD2 4.4Å; Q115-L278 PolarHBondContact NE2-O 3.43Å; Q115-T297 HydrophobicContact CG-CG2 4.34Å
116	A	85.7	Confident	88.1	Confident	27 Å²	27	50.9 Å²	50.9	22%	0.223	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.1	149	171.8	0	0	0	0	0	110.1	K120	A116-K120 HydrophobicContact CB-CB 4.43Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å
117	P	77.9	Confident	88.1	Confident	66 Å²	66	52 Å²	52	43%	0.429	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-53.8	146.8	166.7	-23.3	33.4	0	0	0	111.2	G119 K120	P117-G119 PolarHBondContact O-N 2.84Å; P117-K120 PolarHBondContact O-N 3.29Å; P117-K120 VanDerWaalsContact O-N 3.12Å
118	S	70.4	Confident	88	Confident	70 Å²	70	51.1 Å²	51.1	49%	0.49	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.9	-176	-163	0	0	0	0	111.9	D274	S118-D274 PolarHBondContact OG-O 3.47Å; S118-D274 VanDerWaalsContact OG-O 3.1Å
119	G	69.7	Low	87.9	Confident	69 Å²	69	52 Å²	52	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-5.9	179.9	0	0	0	0	0	115.9	P117	P117-G119 PolarHBondContact O-N 2.84Å
120	K	71.7	Confident	87.8	Confident	127 Å²	127	52 Å²	52	55%	0.552	29%	0.287	S	S	*	.			trans	-101.6	133.4	172.7	-67.6	-171.9	176.9	-173.9	0	111.2	A116 P117	A116-K120 HydrophobicContact CB-CB 4.43Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å; P117-K120 PolarHBondContact O-N 3.29Å; P117-K120 VanDerWaalsContact O-N 3.12Å
121	V	72.4	Confident	87.6	Confident	119 Å²	119	55.4 Å²	55.4	72%	0.721	31%	0.305	S	S	*	.			trans	-105.3	102.1	173.2	-177.8	0	0	0	0	108.2	I267	V121-I267 HydrophobicContact CB-CD1 4.18Å; V121-I267 HydrophobicContact CG1-CD1 3.79Å; V121-I267 HydrophobicContact CG2-CD1 3.42Å; V121-I267 VanDerWaalsContact CG2-CD1 3.42Å
122	E	81	Confident	87.3	Confident	122 Å²	122	57.8 Å²	57.8	57%	0.57	32%	0.317	S	S	*	.			trans	-126.3	141.6	175.7	-67.6	179.1	-162.4	0	0	108.9
123	M	83.6	Confident	87.1	Confident	140 Å²	140	59.9 Å²	59.9	69%	0.69	34%	0.339	S	S	*	.			trans	-65.4	131.7	173	-72.9	-62.9	-69.5	0	0	109.2	L262	M123-L262 HydrophobicContact CE-CB 4.44Å; M123-L262 HydrophobicContact CE-CD2 4.01Å
124	P	89.1	Confident	87.1	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.123	34%	0.344	C	S	.	.			trans	-71.7	139.6	-175.3	29.8	-35.1	0	0	0	110.8	Y113 I126 L262 M265 L278	Y113-P124 HydrophobicContact CD1-CB 4.46Å; Y113-P124 HydrophobicContact CD2-CB 3.46Å; Y113-P124 VanDerWaalsContact CD2-CB 3.46Å; Y113-P124 HydrophobicContact CD2-CG 4.42Å; Y113-P124 HydrophobicContact CE2-CB 3.99Å; Y113-P124 HydrophobicContact CG-CB 3.73Å; P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 HydrophobicContact CB-CG1 4.12Å; P124-I126 HydrophobicContact CG-CD1 4.23Å; P124-I126 HydrophobicContact CG-CG1 3.97Å; P124-I126 PolarHBondContact O-N 3.24Å; P124-I126 VanDerWaalsContact O-N 3.1Å; P124-L262 HydrophobicContact CG-CD2 4Å; P124-M265 HydrophobicContact CG-CE 3.88Å; P124-M265 HydrophobicContact CG-SD 3.46Å; P124-M265 WeakPolarHBondContact CG-SD 3.25Å; P124-L278 HydrophobicContact CB-CD2 4.05Å; P124-L278 HydrophobicContact CG-CD2 3.5Å; P124-L278 VanDerWaalsContact CG-CD2 3.5Å
125	K	91.6	Very high	87.1	Confident	164 Å²	164	63.7 Å²	63.7	71%	0.713	35%	0.354	S	S	*	.			trans	-80.8	83.9	166.6	-64.3	-177.1	-177.8	179.1	0	108.7
126	I	95.4	Very high	87.2	Confident	28 Å²	28	63.9 Å²	63.9	14%	0.144	36%	0.356	C	S	.	.			trans	-70.4	129.5	-179.8	-61.1	-177.2	0	0	0	110.3	M111 Y113 P124 H128 I261 L262 M265	M111-I126 HydrophobicContact CB-CG2 3.74Å; M111-I126 HydrophobicContact CG-CG2 4.33Å; M111-I126 HydrophobicContact SD-CG2 3.92Å; Y113-I126 HydrophobicContact CD1-CG1 4.05Å; Y113-I126 HydrophobicContact CG-CG1 4.35Å; P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 HydrophobicContact CB-CG1 4.12Å; P124-I126 HydrophobicContact CG-CD1 4.23Å; P124-I126 HydrophobicContact CG-CG1 3.97Å; P124-I126 PolarHBondContact O-N 3.24Å; P124-I126 VanDerWaalsContact O-N 3.1Å; I126-H128 HydrophobicContact CG2-CB 4.4Å; I126-I261 HydrophobicContact CD1-CG2 3.88Å; I126-L262 HydrophobicContact CD1-CD2 3.54Å; I126-L262 HydrophobicContact CD1-CG 4.05Å; I126-L262 HydrophobicContact CG1-CD2 4.15Å; I126-M265 HydrophobicContact CD1-CE 4.45Å; I126-M265 HydrophobicContact CD1-SD 3.87Å
127	R	96.9	Very high	87.5	Confident	24 Å²	24	66.7 Å²	66.7	9%	0.091	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-88.2	124.3	166	-52.8	-49.5	177.6	-154.4	13.3	108.9	Y95 M111 W112 D134 D156	Y95-R127 HydrophobicContact CD2-CB 4.17Å; Y95-R127 HydrophobicContact CE2-CB 4.23Å; M111-R127 WeakPolarHBondContact CA-O 3.26Å; M111-R127 VanDerWaalsContact CB-O 3.32Å; M111-R127 WeakPolarHBondContact CB-O 3.31Å; W112-R127 HydrophobicContact CD2-CB 3.68Å; W112-R127 HydrophobicContact CD2-CG 4.15Å; W112-R127 VanDerWaalsContact CE2-CG 3.46Å; W112-R127 HydrophobicContact CE3-CB 4.05Å; W112-R127 HydrophobicContact CG-CB 4.24Å; W112-R127 HydrophobicContact CG-CG 4.41Å; W112-R127 HydrophobicContact CH2-CB 3.86Å; W112-R127 HydrophobicContact CZ2-CB 3.46Å; W112-R127 VanDerWaalsContact CZ2-CB 3.46Å; W112-R127 HydrophobicContact CZ2-CG 3.72Å; W112-R127 HydrophobicContact CZ3-CB 4.14Å; W112-R127 PolarHBondContact N-O 2.91Å; W112-R127 VanDerWaalsContact N-O 3.14Å; W112-R127 VanDerWaalsContact NE1-CG 3.3Å; W112-R127 PolarHBondContact O-N 3.42Å; R127-D134 IonicContact CZ-OD1 2.94Å; R127-D134 VanDerWaalsContact NH1-CG 3.32Å; R127-D134 IonicContact NH1-OD1 3.75Å; R127-D134 PolarHBondContact NH1-OD1 3.33Å; R127-D134 IonicContact NH1-OD2 2.69Å; R127-D156 VanDerWaalsContact CG-OD2 3.31Å; R127-D156 WeakPolarHBondContact CG-OD2 3.48Å; R127-D156 IonicContact NE-OD1 3.33Å; R127-D156 IonicContact NE-OD2 2.75Å; R127-D156 PolarHBondContact NE-OD2 3.4Å; R127-D156 IonicContact NH2-OD1 3.94Å
128	H	97.1	Very high	88.1	Confident	5 Å²	5	67.1 Å²	67.1	2%	0.023	36%	0.363	C	S	.	.			trans	-149.4	-66.4	177.6	176.9	-142.5	0	0	0	110	L94 Y95 M111 I126 Y201	L94-H128 WeakPolarHBondContact CA-O 3.49Å; L94-H128 WeakPolarHBondContact CD2-NE2 3.49Å; Y95-H128 PolarHBondContact N-O 3.24Å; M111-H128 HydrophobicContact CB-CB 4.4Å; M111-H128 HydrophobicContact CE-CB 4.35Å; M111-H128 HydrophobicContact CG-CB 3.89Å; M111-H128 HydrophobicContact SD-CB 4.18Å; I126-H128 HydrophobicContact CG2-CB 4.4Å; H128-Y201 AromaticContact NE2-CE1 3.59Å; H128-Y201 AromaticContact NE2-CZ 3.62Å; H128-Y201 PolarHBondContact NE2-OH 2.76Å
129	W	95.6	Very high	89.2	Confident	19 Å²	19	64.3 Å²	64.3	7%	0.072	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-76.9	140.3	173.4	-71.2	74.1	0	0	0	111.1	N93 L94 Y95 N131 E454 R457 K458	N93-W129 HydrophobicContact CB-CE3 3.86Å; N93-W129 HydrophobicContact CB-CZ3 3.73Å; N93-W129 VanDerWaalsContact ND2-CH2 3.33Å; N93-W129 WeakPolarHBondContact ND2-CH2 3.33Å; N93-W129 WeakPolarHBondContact ND2-CZ3 3.49Å; N93-W129 CarbonylContact O-C 3.56Å; N93-W129 WeakPolarHBondContact O-CA 3.38Å; L94-W129 HydrophobicContact CD2-CD2 4.11Å; L94-W129 HydrophobicContact CD2-CG 4.12Å; Y95-W129 WeakPolarHBondContact CE2-O 3.47Å; W129-N131 PolarHBondContact O-N 2.99Å; W129-N131 VanDerWaalsContact O-N 3.14Å; W129-E454 HydrophobicContact CH2-CB 3.81Å; W129-E454 HydrophobicContact CH2-CG 4.13Å; W129-E454 VanDerWaalsContact CH2-O 3.28Å; W129-E454 WeakPolarHBondContact CH2-O 3.34Å; W129-E454 HydrophobicContact CZ2-CB 4.48Å; W129-E454 HydrophobicContact CZ2-CG 4.31Å; W129-R457 HydrophobicContact CH2-CB 4.38Å; W129-K458 HydrophobicContact CE3-CG 4.21Å; W129-K458 HydrophobicContact CZ3-CG 3.88Å
130	C	95.7	Very high	90.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.007	31%	0.309	C	S	.	.			trans	-57.8	119.9	165.8	-70.1	0	0	0	0	109.4	N93 L94 Y95 K402 K458	N93-C130 PolarHBondContact O-N 3.37Å; L94-C130 VanDerWaalsContact C-SG 3.51Å; L94-C130 PolarHBondContact O-SG 3.32Å; Y95-C130 HydrophobicContact CE1-CB 4.31Å; C130-K402 HydrophobicContact CB-CB 4.11Å; C130-K402 WeakPolarHBondContact CB-O 3.25Å; C130-K458 PolarHBondContact O-NZ 3.33Å; C130-K458 VanDerWaalsContact O-NZ 3.15Å
131	N	94.7	Very high	91.3	Very high	71 Å²	71	55.4 Å²	55.4	38%	0.38	28%	0.284	S	S	.	.			trans	-143.2	128.5	179.3	-168.4	-10.6	0	0	0	110.8	Y95 W129 G133 D134	Y95-N131 PolarHBondContact OH-N 3.03Å; Y95-N131 VanDerWaalsContact OH-N 3.16Å; Y95-N131 PolarHBondContact OH-O 2.94Å; W129-N131 PolarHBondContact O-N 2.99Å; W129-N131 VanDerWaalsContact O-N 3.14Å; N131-G133 PolarHBondContact O-N 2.75Å; N131-G133 PolarHBondContact OD1-N 3.4Å; N131-D134 WeakPolarHBondContact O-CB 3.24Å; N131-D134 PolarHBondContact O-N 3.04Å
132	Q	92	Very high	92.4	Very high	50 Å²	50	52.2 Å²	52.2	23%	0.234	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.1	-28.4	176.3	-68.1	-179.3	43.4	0	0	111.9	D134 H135 S403 H796	Q132-D134 PolarHBondContact O-N 2.77Å; Q132-H135 PolarHBondContact O-N 3.16Å; Q132-H135 VanDerWaalsContact O-N 3.15Å; Q132-S403 WeakPolarHBondContact CG-OG 3.4Å; Q132-S403 PolarHBondContact NE2-OG 3.08Å; Q132-H796 WeakPolarHBondContact CG-O 3.33Å; Q132-H796 PolarHBondContact OE1-CE1 3.37Å; Q132-H796 PolarHBondContact OE1-ND1 3.46Å
133	G	93	Very high	93.2	Very high	45 Å²	45	47.7 Å²	47.7	46%	0.464	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-68.8	-8.9	175.8	0	0	0	0	0	114.5	N131 H135	N131-G133 PolarHBondContact O-N 2.75Å; N131-G133 PolarHBondContact OD1-N 3.4Å; G133-H135 VanDerWaalsContact C-N 3.26Å; G133-H135 PolarHBondContact O-CD2 3.49Å
134	D	93.5	Very high	93.8	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.123	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-77.8	-14.7	172.6	-71.1	-28	0	0	0	112.7	Y95 R127 N131 Q132 L136	Y95-D134 PolarHBondContact OH-OD2 3.36Å; R127-D134 IonicContact CZ-OD1 2.94Å; R127-D134 VanDerWaalsContact NH1-CG 3.32Å; R127-D134 IonicContact NH1-OD1 3.75Å; R127-D134 PolarHBondContact NH1-OD1 3.33Å; R127-D134 IonicContact NH1-OD2 2.69Å; N131-D134 WeakPolarHBondContact O-CB 3.24Å; N131-D134 PolarHBondContact O-N 3.04Å; Q132-D134 PolarHBondContact O-N 2.77Å; D134-L136 HydrophobicContact CB-CD1 3.4Å; D134-L136 PolarHBondContact O-N 3.14Å
135	H	91.7	Very high	94.2	Very high	141 Å²	141	41.2 Å²	41.2	65%	0.653	21%	0.207	S	C	*	.			trans	52.7	37	177.2	-56.7	-63.8	0	0	0	114	Q132 G133 T137	Q132-H135 PolarHBondContact O-N 3.16Å; Q132-H135 VanDerWaalsContact O-N 3.15Å; G133-H135 VanDerWaalsContact C-N 3.26Å; G133-H135 PolarHBondContact O-CD2 3.49Å; H135-T137 PolarHBondContact O-N 2.81Å
136	L	93.4	Very high	94.4	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.063	18%	0.175	C	C	.	.			trans	-59.9	133.6	172.1	-87.1	62.7	0	0	0	109.8	Y95 W112 D134 R138 H139 I154 D156 Y780	Y95-L136 HydrophobicContact CD1-CD2 4.16Å; Y95-L136 HydrophobicContact CE1-CD2 3.57Å; Y95-L136 HydrophobicContact CE2-CD2 4.4Å; W112-L136 HydrophobicContact CZ2-CD2 4.48Å; D134-L136 HydrophobicContact CB-CD1 3.4Å; D134-L136 PolarHBondContact O-N 3.14Å; L136-R138 PolarHBondContact O-N 3.34Å; L136-H139 HydrophobicContact CD2-CB 4.08Å; L136-I154 HydrophobicContact CD2-CG2 3.58Å; L136-D156 HydrophobicContact CD1-CB 4.48Å; L136-D156 HydrophobicContact CG-CB 4.08Å; L136-Y780 PolarHBondContact O-OH 3.05Å; L136-Y780 VanDerWaalsContact O-OH 3.06Å
137	T	91	Very high	94.4	Very high	85 Å²	85	34.5 Å²	34.5	52%	0.521	18%	0.178	S	C	.	.	S	Bend	trans	-62.5	-35.7	175.9	-52.4	0	0	0	0	111.3	H135 V155	H135-T137 PolarHBondContact O-N 2.81Å; T137-V155 HydrophobicContact CG2-CG1 4.32Å; T137-V155 PolarHBondContact N-O 3.34Å
138	R	91	Very high	94.4	Very high	76 Å²	76	35.6 Å²	35.6	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.3	176.5	-172.9	171.1	-69.3	172	1.7	110.3	L136 S140 I154 V155 Y780	L136-R138 PolarHBondContact O-N 3.34Å; R138-S140 WeakPolarHBondContact CG-OG 3.49Å; R138-I154 CarbonylContact O-C 3.5Å; R138-I154 WeakPolarHBondContact O-CA 3.33Å; R138-V155 HydrophobicContact CB-CB 4.03Å; R138-V155 HydrophobicContact CB-CG2 4.03Å; R138-V155 PolarHBondContact N-O 2.89Å; R138-V155 PolarHBondContact O-N 3.43Å; R138-Y780 VanDerWaalsContact C-OH 3.23Å; R138-Y780 WeakPolarHBondContact CA-OH 3.29Å; R138-Y780 PolarHBondContact N-OH 2.92Å
139	H	93.1	Very high	94.4	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	107.2	159.2	69.5	-85	0	0	0	107.9	Y95 L136 Q153 I154 Y780 P797	Y95-H139 HydrophobicContact CD1-CB 4.16Å; Y95-H139 AromaticContact CD1-CD2 3.97Å; Y95-H139 HydrophobicContact CE1-CB 4.13Å; Y95-H139 AromaticContact CE1-CD2 3.77Å; Y95-H139 AromaticContact CE1-CG 3.71Å; Y95-H139 AromaticContact CE1-ND1 3.94Å; L136-H139 HydrophobicContact CD2-CB 4.08Å; H139-Q153 WeakPolarHBondContact CA-O 3.25Å; H139-I154 HydrophobicContact CB-CG1 4.35Å; H139-I154 HydrophobicContact CB-CG2 4.24Å; H139-Y780 PolarHBondContact N-OH 3.05Å; H139-Y780 AromaticContact ND1-CE1 3.89Å; H139-Y780 AromaticContact ND1-CZ 3.89Å; H139-Y780 PolarHBondContact ND1-OH 2.94Å; H139-P797 WeakPolarHBondContact CE1-CD 3.37Å; H139-P797 WeakPolarHBondContact NE2-CD 2.97Å; H139-P797 VanDerWaalsContact NE2-CG 3.29Å; H139-P797 WeakPolarHBondContact NE2-CG 3.49Å
140	S	89.6	Confident	94.6	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.3	-168.7	53.6	0	0	0	0	112.1	R138 Q152 Q153 H361	R138-S140 WeakPolarHBondContact CG-OG 3.49Å; S140-Q152 WeakPolarHBondContact O-CA 3.44Å; S140-Q152 VanDerWaalsContact O-CG 3.29Å; S140-Q152 WeakPolarHBondContact O-CG 3.49Å; S140-Q153 PolarHBondContact N-O 3.17Å; S140-Q153 PolarHBondContact O-N 2.63Å; S140-H361 WeakPolarHBondContact CB-CE1 3.48Å
141	W	95.7	Very high	94.7	Very high	6 Å²	6	34.6 Å²	34.6	2%	0.023	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.4	164.9	-66.4	106.5	0	0	0	108.9	T89 H144 Q152 W179 H361 G368	T89-W141 HydrophobicContact CG2-CH2 3.5Å; T89-W141 VanDerWaalsContact CG2-CH2 3.5Å; T89-W141 HydrophobicContact CG2-CZ2 3.51Å; W141-H144 HydrophobicContact CB-CB 4.37Å; W141-H144 HydrophobicContact CD2-CB 4.36Å; W141-H144 AromaticContact CD2-CD2 3.79Å; W141-H144 AromaticContact CE2-CD2 3.94Å; W141-H144 HydrophobicContact CE3-CB 4.21Å; W141-H144 AromaticContact CE3-CD2 3.59Å; W141-H144 HydrophobicContact CG-CB 4.45Å; W141-H144 AromaticContact CH2-CD2 3.75Å; W141-H144 AromaticContact CZ2-CD2 3.95Å; W141-H144 AromaticContact CZ3-CD2 3.59Å; W141-Q152 HydrophobicContact CD2-CB 4.08Å; W141-Q152 HydrophobicContact CD2-CG 4.37Å; W141-Q152 HydrophobicContact CE3-CB 3.72Å; W141-Q152 HydrophobicContact CE3-CG 4.49Å; W141-Q152 HydrophobicContact CH2-CB 4.36Å; W141-Q152 HydrophobicContact CZ3-CB 3.86Å; W141-W179 AromaticContact CH2-CH2 3.66Å; W141-W179 HydrophobicContact CH2-CH2 3.66Å; W141-W179 HydrophobicContact CH2-CZ3 4.3Å; W141-W179 HydrophobicContact CZ2-CH2 4.44Å; W141-W179 HydrophobicContact CZ3-CH2 4.49Å; W141-H361 PolarHBondContact O-ND1 3.35Å; W141-G368 PolarHBondContact NE1-O 2.71Å
142	E	94.9	Very high	94.8	Very high	53 Å²	53	31.4 Å²	31.4	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-41.8	170.6	-64.4	-166.9	132	0	0	110.3	I151 Q153	E142-I151 PolarHBondContact N-O 3.07Å; E142-Q153 HydrophobicContact CG-CB 4.34Å; E142-Q153 HydrophobicContact CG-CG 3.77Å; E142-Q153 WeakPolarHBondContact OE1-CG 3.3Å; E142-Q153 WeakPolarHBondContact OE2-CG 3.22Å; E142-Q153 PolarHBondContact OE2-NE2 3.06Å
143	E	97.8	Very high	95	Very high	27 Å²	27	29.9 Å²	29.9	13%	0.126	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.4	176.2	-63.7	178.2	-145.6	0	0	108.4	Y149 G150 I151 R333 F336 S364	E143-Y149 HydrophobicContact CB-CE2 3.87Å; E143-Y149 WeakPolarHBondContact OE2-CE2 3.02Å; E143-Y149 PolarHBondContact OE2-OH 2.98Å; E143-G150 CarbonylContact O-C 3.56Å; E143-G150 WeakPolarHBondContact O-CA 3.3Å; E143-I151 HydrophobicContact CB-CB 4.26Å; E143-I151 HydrophobicContact CB-CD1 4.28Å; E143-I151 HydrophobicContact CB-CG1 4.29Å; E143-I151 HydrophobicContact CG-CD1 4.47Å; E143-I151 PolarHBondContact N-O 2.75Å; E143-I151 PolarHBondContact O-N 3.3Å; E143-R333 IonicContact OE1-CZ 3.86Å; E143-R333 IonicContact OE1-NE 3.06Å; E143-R333 PolarHBondContact OE1-NE 2.81Å; E143-R333 VanDerWaalsContact OE1-NE 3.17Å; E143-R333 IonicContact OE1-NH2 2.87Å; E143-R333 PolarHBondContact OE1-NH2 2.76Å; E143-R333 WeakPolarHBondContact OE2-CG 3.27Å; E143-R333 IonicContact OE2-NE 3.33Å; E143-R333 PolarHBondContact OE2-NE 3.04Å; E143-F336 HydrophobicContact CB-CE1 4.49Å; E143-F336 HydrophobicContact CG-CE1 4.26Å; E143-S364 WeakPolarHBondContact CA-OG 3.44Å
144	H	98.1	Very high	95.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	125.8	176	-166.1	-74.3	0	0	0	106.8	T89 W141 G146 M165 S364 L367	T89-H144 PolarHBondContact OG1-NE2 2.96Å; W141-H144 HydrophobicContact CB-CB 4.37Å; W141-H144 HydrophobicContact CD2-CB 4.36Å; W141-H144 AromaticContact CD2-CD2 3.79Å; W141-H144 AromaticContact CE2-CD2 3.94Å; W141-H144 HydrophobicContact CE3-CB 4.21Å; W141-H144 AromaticContact CE3-CD2 3.59Å; W141-H144 HydrophobicContact CG-CB 4.45Å; W141-H144 AromaticContact CH2-CD2 3.75Å; W141-H144 AromaticContact CZ2-CD2 3.95Å; W141-H144 AromaticContact CZ3-CD2 3.59Å; H144-G146 PolarHBondContact CE1-N 2.95Å; H144-G146 WeakPolarHBondContact ND1-CA 3.37Å; H144-G146 PolarHBondContact ND1-N 3.28Å; H144-M165 WeakPolarHBondContact NE2-CE 3.28Å; H144-S364 WeakPolarHBondContact CB-O 3.49Å; H144-S364 VanDerWaalsContact N-CB 3.3Å; H144-S364 PolarHBondContact N-OG 3.24Å; H144-S364 PolarHBondContact O-OG 2.94Å; H144-L367 WeakPolarHBondContact O-CD1 3.38Å
145	D	97.3	Very high	95.2	Very high	19 Å²	19	27.6 Å²	27.6	10%	0.102	14%	0.135	C	C	.	.			trans	-97.1	-11.7	-177.4	70.3	-18.8	0	0	0	113.6	K147 I148 Y149 F336 W423	D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact OD1-N 3.02Å; D145-I148 VanDerWaalsContact CG-N 3.34Å; D145-I148 PolarHBondContact OD1-N 2.93Å; D145-I148 WeakPolarHBondContact OD2-CG1 3.23Å; D145-I148 PolarHBondContact OD2-N 3.1Å; D145-Y149 HydrophobicContact CB-CD1 3.98Å; D145-Y149 HydrophobicContact CB-CE1 3.79Å; D145-Y149 PolarHBondContact N-O 2.96Å; D145-Y149 PolarHBondContact OD1-N 3.48Å; D145-F336 HydrophobicContact CB-CD2 4.14Å; D145-W423 HydrophobicContact CB-CZ2 4.15Å; D145-W423 PolarHBondContact O-NE1 3.16Å
146	G	95.4	Very high	95.3	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	89.2	-10.3	-176.2	0	0	0	0	0	113.6	H144	H144-G146 PolarHBondContact CE1-N 2.95Å; H144-G146 WeakPolarHBondContact ND1-CA 3.37Å; H144-G146 PolarHBondContact ND1-N 3.28Å
147	K	95.6	Very high	95.1	Very high	49 Å²	49	25.2 Å²	25.2	21%	0.213	12%	0.124	C	C	.	.	S	Bend	trans	-132.6	-46.2	-162.9	-64.9	-158.6	159.6	169.3	0	115.7	M85 D145 K167 D424	M85-K147 HydrophobicContact SD-CB 4.36Å; M85-K147 HydrophobicContact SD-CD 4.25Å; M85-K147 HydrophobicContact SD-CG 3.65Å; D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact OD1-N 3.02Å; K147-K167 WeakPolarHBondContact O-CE 3.24Å; K147-K167 PolarHBondContact O-NZ 3.33Å; K147-D424 WeakPolarHBondContact CE-OD2 3.35Å; K147-D424 IonicContact NZ-OD1 2.77Å; K147-D424 IonicContact NZ-OD2 2.85Å; K147-D424 PolarHBondContact NZ-OD2 3.22Å
148	I	96	Very high	94.9	Very high	47 Å²	47	25.1 Å²	25.1	24%	0.241	12%	0.117	C	C	.	.	S	Bend	trans	-132.7	-16	-175	56.6	162	0	0	0	114.1	D145 V166 K167 A332	D145-I148 VanDerWaalsContact CG-N 3.34Å; D145-I148 PolarHBondContact OD1-N 2.93Å; D145-I148 WeakPolarHBondContact OD2-CG1 3.23Å; D145-I148 PolarHBondContact OD2-N 3.1Å; I148-V166 CarbonylContact O-C 3.54Å; I148-V166 WeakPolarHBondContact O-CA 3.38Å; I148-K167 PolarHBondContact O-N 2.87Å; I148-A332 HydrophobicContact CD1-CB 3.84Å; I148-A332 HydrophobicContact CG1-CB 4.36Å
149	Y	98	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165.2	179.5	91.7	-72.3	0	0	0	113.9	E143 D145 I151 M165 L329 A332 R333 F336	E143-Y149 HydrophobicContact CB-CE2 3.87Å; E143-Y149 WeakPolarHBondContact OE2-CE2 3.02Å; E143-Y149 PolarHBondContact OE2-OH 2.98Å; D145-Y149 HydrophobicContact CB-CD1 3.98Å; D145-Y149 HydrophobicContact CB-CE1 3.79Å; D145-Y149 PolarHBondContact N-O 2.96Å; D145-Y149 PolarHBondContact OD1-N 3.48Å; Y149-I151 HydrophobicContact CD2-CG1 4.3Å; Y149-I151 HydrophobicContact CE2-CD1 4.26Å; Y149-I151 HydrophobicContact CE2-CG1 4.19Å; Y149-M165 VanDerWaalsContact C-SD 3.53Å; Y149-M165 VanDerWaalsContact CA-O 3.23Å; Y149-M165 WeakPolarHBondContact CA-O 3.44Å; Y149-M165 VanDerWaalsContact CA-SD 3.56Å; Y149-M165 WeakPolarHBondContact CB-O 3.38Å; Y149-M165 WeakPolarHBondContact O-CE 3.49Å; Y149-L329 HydrophobicContact CD2-CD1 3.88Å; Y149-A332 HydrophobicContact CD1-CB 3.59Å; Y149-A332 HydrophobicContact CD2-CB 4.49Å; Y149-A332 HydrophobicContact CE1-CB 4.18Å; Y149-A332 HydrophobicContact CG-CB 3.75Å; Y149-R333 HydrophobicContact CD2-CG 4.25Å; Y149-R333 HydrophobicContact CE2-CG 3.66Å; Y149-F336 HydrophobicContact CE1-CB 3.7Å; Y149-F336 HydrophobicContact CE1-CD2 4.31Å; Y149-F336 HydrophobicContact CE1-CG 4.17Å; Y149-F336 AromaticContact CZ-CG 3.99Å; Y149-F336 WeakPolarHBondContact OH-CB 3.23Å; Y149-F336 VanDerWaalsContact OH-CD1 3.25Å; Y149-F336 WeakPolarHBondContact OH-CD1 3.35Å; Y149-F336 WeakPolarHBondContact OH-CG 3.28Å
150	G	98.3	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	150.9	172	0	0	0	0	0	112.4	E143 T164 M165	E143-G150 CarbonylContact O-C 3.56Å; E143-G150 WeakPolarHBondContact O-CA 3.3Å; G150-T164 CarbonylContact O-C 3.56Å; G150-T164 WeakPolarHBondContact O-CA 3.43Å; G150-M165 PolarHBondContact N-O 3.12Å; G150-M165 PolarHBondContact N-SD 2.78Å; G150-M165 PolarHBondContact O-N 3.37Å
151	I	98.5	Very high	95.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.3	179.1	-52.1	178.6	0	0	0	107.8	E142 E143 Y149 K162 T164 L329 R333	E142-I151 PolarHBondContact N-O 3.07Å; E143-I151 HydrophobicContact CB-CB 4.26Å; E143-I151 HydrophobicContact CB-CD1 4.28Å; E143-I151 HydrophobicContact CB-CG1 4.29Å; E143-I151 HydrophobicContact CG-CD1 4.47Å; E143-I151 PolarHBondContact N-O 2.75Å; E143-I151 PolarHBondContact O-N 3.3Å; Y149-I151 HydrophobicContact CD2-CG1 4.3Å; Y149-I151 HydrophobicContact CE2-CD1 4.26Å; Y149-I151 HydrophobicContact CE2-CG1 4.19Å; I151-K162 HydrophobicContact CG2-CG 4.41Å; I151-T164 HydrophobicContact CG1-CG2 3.96Å; I151-L329 HydrophobicContact CD1-CD1 4.34Å; I151-L329 HydrophobicContact CG1-CD1 4.46Å; I151-R333 HydrophobicContact CD1-CG 4.25Å
152	Q	96.5	Very high	95.5	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.1	177.6	-170.1	-177.5	3.7	0	0	110	Y95 S140 W141 I154 K162 A163	Y95-Q152 PolarHBondContact O-NE2 3.25Å; Y95-Q152 PolarHBondContact O-OE1 2.78Å; Y95-Q152 VanDerWaalsContact O-OE1 3.05Å; S140-Q152 WeakPolarHBondContact O-CA 3.44Å; S140-Q152 VanDerWaalsContact O-CG 3.29Å; S140-Q152 WeakPolarHBondContact O-CG 3.49Å; W141-Q152 HydrophobicContact CD2-CB 4.08Å; W141-Q152 HydrophobicContact CD2-CG 4.37Å; W141-Q152 HydrophobicContact CE3-CB 3.72Å; W141-Q152 HydrophobicContact CE3-CG 4.49Å; W141-Q152 HydrophobicContact CH2-CB 4.36Å; W141-Q152 HydrophobicContact CZ3-CB 3.86Å; Q152-I154 HydrophobicContact CG-CD1 4.46Å; Q152-I154 HydrophobicContact CG-CG1 4.01Å; Q152-K162 WeakPolarHBondContact O-CA 3.43Å; Q152-A163 HydrophobicContact CB-CB 4.42Å; Q152-A163 PolarHBondContact N-O 3.05Å; Q152-A163 PolarHBondContact O-N 3.28Å
153	Q	95.8	Very high	95.7	Very high	18 Å²	18	24.2 Å²	24.2	8%	0.084	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.9	166.9	-68.3	-72.6	-20.9	0	0	109.4	H139 S140 E142	H139-Q153 WeakPolarHBondContact CA-O 3.25Å; S140-Q153 PolarHBondContact N-O 3.17Å; S140-Q153 PolarHBondContact O-N 2.63Å; E142-Q153 HydrophobicContact CG-CB 4.34Å; E142-Q153 HydrophobicContact CG-CG 3.77Å; E142-Q153 WeakPolarHBondContact OE1-CG 3.3Å; E142-Q153 WeakPolarHBondContact OE2-CG 3.22Å; E142-Q153 PolarHBondContact OE2-NE2 3.06Å
154	I	96.5	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.1	175.9	-51.9	177	0	0	0	106.8	I96 W112 L136 R138 H139 Q152 Q160 I161	I96-I154 HydrophobicContact CD1-CD1 4.01Å; I96-I154 HydrophobicContact CG1-CD1 3.88Å; W112-I154 HydrophobicContact CH2-CD1 3.95Å; W112-I154 HydrophobicContact CH2-CG2 4.11Å; W112-I154 HydrophobicContact CZ2-CG2 3.9Å; W112-I154 HydrophobicContact CZ3-CD1 4.49Å; L136-I154 HydrophobicContact CD2-CG2 3.58Å; R138-I154 CarbonylContact O-C 3.5Å; R138-I154 WeakPolarHBondContact O-CA 3.33Å; H139-I154 HydrophobicContact CB-CG1 4.35Å; H139-I154 HydrophobicContact CB-CG2 4.24Å; Q152-I154 HydrophobicContact CG-CD1 4.46Å; Q152-I154 HydrophobicContact CG-CG1 4.01Å; I154-Q160 CarbonylContact O-C 3.56Å; I154-Q160 WeakPolarHBondContact O-CA 3.47Å; I154-I161 HydrophobicContact CB-CB 4.18Å; I154-I161 PolarHBondContact N-O 3.14Å; I154-I161 PolarHBondContact O-N 3.16Å
155	V	94.9	Very high	95.7	Very high	20 Å²	20	22.9 Å²	22.9	12%	0.121	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	100.9	175	-177.3	0	0	0	0	106.8	T137 R138 L159 Q160 L186	T137-V155 HydrophobicContact CG2-CG1 4.32Å; T137-V155 PolarHBondContact N-O 3.34Å; R138-V155 HydrophobicContact CB-CB 4.03Å; R138-V155 HydrophobicContact CB-CG2 4.03Å; R138-V155 PolarHBondContact N-O 2.89Å; R138-V155 PolarHBondContact O-N 3.43Å; V155-L159 CarbonylContact C-O 3.49Å; V155-L159 WeakPolarHBondContact CA-O 3.31Å; V155-Q160 HydrophobicContact CG2-CG 4.24Å; V155-L186 HydrophobicContact CG1-CD1 4.36Å
156	D	93.3	Very high	95.7	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.053	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	86.6	175.7	-173.6	4.5	0	0	0	108.5	W112 R127 L136 H158 L159	W112-D156 PolarHBondContact NE1-OD2 3.37Å; R127-D156 VanDerWaalsContact CG-OD2 3.31Å; R127-D156 WeakPolarHBondContact CG-OD2 3.48Å; R127-D156 IonicContact NE-OD1 3.33Å; R127-D156 IonicContact NE-OD2 2.75Å; R127-D156 PolarHBondContact NE-OD2 3.4Å; R127-D156 IonicContact NH2-OD1 3.94Å; L136-D156 HydrophobicContact CD1-CB 4.48Å; L136-D156 HydrophobicContact CG-CB 4.08Å; D156-H158 PolarHBondContact O-N 3.48Å; D156-L159 PolarHBondContact N-O 2.73Å; D156-L159 PolarHBondContact O-N 3.13Å
157	H	88.9	Confident	95.8	Very high	93 Å²	93	22.7 Å²	22.7	43%	0.431	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-104.2	-176.7	-53.7	75	0	0	0	111.2
158	H	88.2	Confident	95.7	Very high	82 Å²	82	22 Å²	22	38%	0.38	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.7	179.9	-54.8	-66.7	0	0	0	114.1	D156 I185 L186	D156-H158 PolarHBondContact O-N 3.48Å; H158-I185 CarbonylContact O-C 3.57Å; H158-I185 WeakPolarHBondContact O-CA 3.36Å; H158-L186 PolarHBondContact O-N 3.02Å
159	L	92.4	Very high	95.6	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.6	177.9	178.1	67.2	0	0	0	109.6	W112 V155 D156 I161 T183 Y196 F198	W112-L159 HydrophobicContact CG-CD2 4.45Å; V155-L159 CarbonylContact C-O 3.49Å; V155-L159 WeakPolarHBondContact CA-O 3.31Å; D156-L159 PolarHBondContact N-O 2.73Å; D156-L159 PolarHBondContact O-N 3.13Å; L159-I161 HydrophobicContact CD1-CG1 4.35Å; L159-I161 HydrophobicContact CD2-CD1 3.74Å; L159-I161 HydrophobicContact CD2-CG1 3.79Å; L159-I161 HydrophobicContact CG-CD1 4.28Å; L159-I161 HydrophobicContact CG-CG1 3.77Å; L159-T183 HydrophobicContact CD1-CG2 4.4Å; L159-Y196 HydrophobicContact CB-CE1 3.86Å; L159-Y196 HydrophobicContact CB-CE2 4.03Å; L159-Y196 HydrophobicContact CD1-CD2 4.14Å; L159-Y196 HydrophobicContact CD1-CE2 4.21Å; L159-Y196 HydrophobicContact CD1-CG 4.38Å; L159-Y196 HydrophobicContact CD2-CD1 3.68Å; L159-Y196 HydrophobicContact CD2-CE1 3.74Å; L159-Y196 HydrophobicContact CD2-CG 4.09Å; L159-Y196 HydrophobicContact CG-CE1 4.31Å; L159-F198 HydrophobicContact CD2-CZ 4.04Å
160	Q	94.5	Very high	95.2	Very high	61 Å²	61	23.5 Å²	23.5	29%	0.285	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.3	164.9	-178.3	171.9	-18.6	0	0	109.3	I154 V155 T183 D184	I154-Q160 CarbonylContact O-C 3.56Å; I154-Q160 WeakPolarHBondContact O-CA 3.47Å; V155-Q160 HydrophobicContact CG2-CG 4.24Å; Q160-T183 CarbonylContact O-C 3.51Å; Q160-T183 WeakPolarHBondContact O-CA 3.21Å; Q160-D184 HydrophobicContact CB-CB 4.31Å; Q160-D184 PolarHBondContact N-O 3.16Å; Q160-D184 PolarHBondContact O-N 3.27Å
161	I	96.8	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.9	174.8	-49.4	168.7	0	0	0	107.7	W112 I154 L159 I181 E182 F198	W112-I161 HydrophobicContact CD2-CD1 3.73Å; W112-I161 HydrophobicContact CE3-CD1 4.14Å; W112-I161 HydrophobicContact CG-CD1 4.17Å; W112-I161 HydrophobicContact CH2-CD1 4.31Å; W112-I161 HydrophobicContact CZ2-CD1 3.92Å; W112-I161 HydrophobicContact CZ3-CD1 4.42Å; I154-I161 HydrophobicContact CB-CB 4.18Å; I154-I161 PolarHBondContact N-O 3.14Å; I154-I161 PolarHBondContact O-N 3.16Å; L159-I161 HydrophobicContact CD1-CG1 4.35Å; L159-I161 HydrophobicContact CD2-CD1 3.74Å; L159-I161 HydrophobicContact CD2-CG1 3.79Å; L159-I161 HydrophobicContact CG-CD1 4.28Å; L159-I161 HydrophobicContact CG-CG1 3.77Å; I161-I181 HydrophobicContact CG2-CG2 3.67Å; I161-E182 CarbonylContact C-O 3.56Å; I161-E182 WeakPolarHBondContact CA-O 3.42Å; I161-F198 HydrophobicContact CD1-CE1 3.91Å; I161-F198 HydrophobicContact CD1-CZ 4.18Å; I161-F198 HydrophobicContact CG1-CE1 4.42Å; I161-F198 HydrophobicContact CG1-CZ 4.36Å
162	K	97.8	Very high	94.3	Very high	66 Å²	66	37.8 Å²	37.8	29%	0.287	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.8	164.1	-179.1	-178	178	-165.8	0	108.3	I151 Q152 E182	I151-K162 HydrophobicContact CG2-CG 4.41Å; Q152-K162 WeakPolarHBondContact O-CA 3.43Å; K162-E182 HydrophobicContact CB-CB 4.32Å; K162-E182 PolarHBondContact N-O 2.63Å; K162-E182 IonicContact NZ-OE2 2.68Å; K162-E182 PolarHBondContact O-N 3.17Å
163	A	98.2	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113	178.1	0	0	0	0	0	108.9	I96 Q152 W179 I181	I96-A163 HydrophobicContact CD1-CB 3.71Å; I96-A163 HydrophobicContact CG1-CB 4.23Å; Q152-A163 HydrophobicContact CB-CB 4.42Å; Q152-A163 PolarHBondContact N-O 3.05Å; Q152-A163 PolarHBondContact O-N 3.28Å; A163-W179 HydrophobicContact CB-CE3 4.05Å; A163-W179 HydrophobicContact CB-CZ3 3.76Å; A163-I181 HydrophobicContact CB-CD1 3.65Å
164	T	98.5	Very high	93.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.2	-178.5	-53.1	0	0	0	0	109.8	G150 I151 W179 R180 F325 L329	G150-T164 CarbonylContact O-C 3.56Å; G150-T164 WeakPolarHBondContact O-CA 3.43Å; I151-T164 HydrophobicContact CG1-CG2 3.96Å; T164-W179 CarbonylContact O-C 3.56Å; T164-W179 VanDerWaalsContact O-CA 3.3Å; T164-W179 WeakPolarHBondContact O-CA 3.33Å; T164-R180 PolarHBondContact N-O 3.39Å; T164-R180 PolarHBondContact O-N 3.34Å; T164-F325 HydrophobicContact CG2-CE1 4.15Å; T164-F325 HydrophobicContact CG2-CZ 3.87Å; T164-L329 HydrophobicContact CG2-CD1 3.59Å; T164-L329 HydrophobicContact CG2-CD2 3.66Å; T164-L329 HydrophobicContact CG2-CG 4.27Å
165	M	98.1	Very high	93.7	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.5	178.2	71.7	85.6	169.1	0	0	111.8	T89 H144 Y149 G150 A178 W179	T89-M165 HydrophobicContact CG2-CE 4.04Å; H144-M165 WeakPolarHBondContact NE2-CE 3.28Å; Y149-M165 VanDerWaalsContact C-SD 3.53Å; Y149-M165 VanDerWaalsContact CA-O 3.23Å; Y149-M165 WeakPolarHBondContact CA-O 3.44Å; Y149-M165 VanDerWaalsContact CA-SD 3.56Å; Y149-M165 WeakPolarHBondContact CB-O 3.38Å; Y149-M165 WeakPolarHBondContact O-CE 3.49Å; G150-M165 PolarHBondContact N-O 3.12Å; G150-M165 PolarHBondContact N-SD 2.78Å; G150-M165 PolarHBondContact O-N 3.37Å; M165-A178 VanDerWaalsContact CA-O 3.24Å; M165-A178 WeakPolarHBondContact CA-O 3.48Å; M165-W179 HydrophobicContact CB-CD2 3.62Å; M165-W179 HydrophobicContact CB-CE3 3.8Å; M165-W179 HydrophobicContact CB-CG 4.21Å; M165-W179 HydrophobicContact CB-CH2 4.06Å; M165-W179 HydrophobicContact CB-CZ2 3.84Å; M165-W179 HydrophobicContact CB-CZ3 4Å; M165-W179 HydrophobicContact CG-CH2 4.14Å; M165-W179 HydrophobicContact CG-CZ2 4.05Å; M165-W179 HydrophobicContact CG-CZ3 4.41Å
166	V	98.1	Very high	93.7	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.4	174.3	-179.6	0	0	0	0	108.6	I148 W177 A178 L320 F325 K328 L329	I148-V166 CarbonylContact O-C 3.54Å; I148-V166 WeakPolarHBondContact O-CA 3.38Å; V166-W177 CarbonylContact O-C 3.56Å; V166-W177 WeakPolarHBondContact O-CA 3.08Å; V166-A178 PolarHBondContact N-O 3.1Å; V166-A178 PolarHBondContact O-N 3.23Å; V166-L320 HydrophobicContact CB-CD2 4.13Å; V166-L320 HydrophobicContact CG1-CD2 4.02Å; V166-L320 WeakPolarHBondContact O-CD2 3.3Å; V166-F325 HydrophobicContact CB-CD2 4.31Å; V166-F325 HydrophobicContact CB-CE2 4.06Å; V166-F325 HydrophobicContact CG2-CD2 4.23Å; V166-F325 HydrophobicContact CG2-CE1 4.39Å; V166-F325 HydrophobicContact CG2-CE2 3.81Å; V166-F325 HydrophobicContact CG2-CZ 3.91Å; V166-K328 HydrophobicContact CG1-CB 3.69Å; V166-L329 HydrophobicContact CG2-CB 3.93Å; V166-L329 HydrophobicContact CG2-CD1 4.06Å
167	K	96.6	Very high	93.9	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.5	173.1	-61.2	-173.6	-83.7	163.3	0	110.3	S84 W87 M98 K147 I148 W177	S84-K167 PolarHBondContact O-NZ 2.98Å; W87-K167 HydrophobicContact CB-CD 3.86Å; W87-K167 PolarHBondContact O-NZ 3.42Å; M98-K167 HydrophobicContact CE-CD 3.99Å; M98-K167 HydrophobicContact CE-CG 4.15Å; K147-K167 WeakPolarHBondContact O-CE 3.24Å; K147-K167 PolarHBondContact O-NZ 3.33Å; I148-K167 PolarHBondContact O-N 2.87Å; K167-W177 HydrophobicContact CB-CB 4.48Å; K167-W177 HydrophobicContact CG-CB 3.89Å
168	S	94.5	Very high	94.4	Very high	33 Å²	33	33.2 Å²	33.2	23%	0.231	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	80.5	173.5	-175.7	0	0	0	0	108.2	N176	S168-N176 PolarHBondContact N-O 3.17Å; S168-N176 PolarHBondContact O-N 3Å
169	P	92.9	Very high	94.9	Very high	45 Å²	45	29.4 Å²	29.4	29%	0.292	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	152.9	176.3	27.7	-34.9	0	0	0	110.9	P83 P174	P83-P169 HydrophobicContact CB-CB 4.2Å; P169-P174 WeakPolarHBondContact CA-O 3.38Å
170	L	90.2	Very high	95.1	Very high	35 Å²	35	29.9 Å²	29.9	18%	0.183	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	165.7	176.3	-62.3	170.8	0	0	0	109.3	N172 H173	L170-N172 PolarHBondContact O-N 3.08Å; L170-N172 VanDerWaalsContact O-N 3.09Å; L170-H173 CarbonylContact C-O 3.59Å; L170-H173 HydrophobicContact CB-CB 4.12Å; L170-H173 PolarHBondContact N-O 2.91Å; L170-H173 PolarHBondContact O-N 3.05Å
171	L	87.8	Confident	95.3	Very high	160 Å²	160	27 Å²	27	84%	0.838	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	118.6	172.5	-176.4	65	0	0	0	109.7	H173	L171-H173 PolarHBondContact O-N 3.36Å; L171-H173 VanDerWaalsContact O-N 3.15Å
172	N	88.7	Confident	95.2	Very high	144 Å²	144	29.2 Å²	29.2	77%	0.77	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	23.8	-179.2	-54.1	-28.5	0	0	0	114.9	L170	L170-N172 PolarHBondContact O-N 3.08Å; L170-N172 VanDerWaalsContact O-N 3.09Å
173	H	92.4	Very high	95.1	Very high	20 Å²	20	26.6 Å²	26.6	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.4	177.3	-177.9	-83	0	0	0	110.7	L170 L171 G175 S310	L170-H173 CarbonylContact C-O 3.59Å; L170-H173 HydrophobicContact CB-CB 4.12Å; L170-H173 PolarHBondContact N-O 2.91Å; L170-H173 PolarHBondContact O-N 3.05Å; L171-H173 PolarHBondContact O-N 3.36Å; L171-H173 VanDerWaalsContact O-N 3.15Å; H173-G175 PolarHBondContact ND1-N 3.16Å; H173-G175 PolarHBondContact O-N 2.74Å; H173-S310 PolarHBondContact CE1-OG 3.11Å; H173-S310 PolarHBondContact ND1-OG 3.24Å
174	P	92.9	Very high	94.7	Very high	17 Å²	17	29.7 Å²	29.7	11%	0.11	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	-25.7	-176.1	-32	38.3	0	0	0	115.7	F86 P169 L228	F86-P174 HydrophobicContact CB-CB 3.78Å; F86-P174 HydrophobicContact CB-CG 3.66Å; F86-P174 HydrophobicContact CD1-CB 3.43Å; F86-P174 VanDerWaalsContact CD1-CB 3.43Å; F86-P174 HydrophobicContact CD1-CG 3.47Å; F86-P174 VanDerWaalsContact CD1-CG 3.47Å; F86-P174 HydrophobicContact CD2-CG 3.85Å; F86-P174 HydrophobicContact CE1-CB 4.19Å; F86-P174 HydrophobicContact CE1-CG 4.05Å; F86-P174 HydrophobicContact CE2-CG 4.37Å; F86-P174 HydrophobicContact CG-CB 3.69Å; F86-P174 HydrophobicContact CG-CG 3.35Å; F86-P174 HydrophobicContact CZ-CG 4.46Å; P169-P174 WeakPolarHBondContact CA-O 3.38Å; P174-L228 HydrophobicContact CB-CD2 4.12Å; P174-L228 HydrophobicContact CG-CD2 4Å
175	G	92.9	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-147.5	169.4	0	0	0	0	0	113.7	H173	H173-G175 PolarHBondContact ND1-N 3.16Å; H173-G175 PolarHBondContact O-N 2.74Å
176	N	94.9	Very high	93.4	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.043	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	155.5	-170.2	-62.6	-8.5	0	0	0	110.6	S168 F308 S310	S168-N176 PolarHBondContact N-O 3.17Å; S168-N176 PolarHBondContact O-N 3Å; N176-F308 WeakPolarHBondContact CA-O 3.5Å; N176-F308 VanDerWaalsContact CB-O 3.32Å; N176-F308 WeakPolarHBondContact CB-O 3.4Å; N176-S310 PolarHBondContact OD1-N 3.41Å
177	W	97	Very high	92	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.7	170	57.1	-101.6	0	0	0	110.7	W87 M98 F108 V166 K167 W179 M202 L233 V306 F308	W87-W177 AromaticContact CD1-CD1 3.61Å; W87-W177 AromaticContact CD2-CD1 3.73Å; W87-W177 AromaticContact CD2-NE1 3.54Å; W87-W177 AromaticContact CE2-CD1 3.77Å; W87-W177 AromaticContact CE2-NE1 3.5Å; W87-W177 AromaticContact CE3-NE1 3.88Å; W87-W177 AromaticContact CG-CD1 3.64Å; W87-W177 AromaticContact CG-NE1 3.98Å; W87-W177 AromaticContact CZ2-NE1 3.8Å; W87-W177 AromaticContact NE1-CD1 3.67Å; W87-W177 AromaticContact NE1-NE1 3.88Å; M98-W177 HydrophobicContact CE-CB 3.53Å; M98-W177 HydrophobicContact CE-CD2 3.52Å; M98-W177 HydrophobicContact CE-CE3 4.19Å; M98-W177 HydrophobicContact CE-CG 3.22Å; M98-W177 HydrophobicContact SD-CB 4.35Å; M98-W177 HydrophobicContact SD-CD2 3.32Å; M98-W177 HydrophobicContact SD-CE3 3.47Å; M98-W177 HydrophobicContact SD-CG 3.76Å; M98-W177 HydrophobicContact SD-CH2 4.18Å; M98-W177 HydrophobicContact SD-CZ2 4.05Å; M98-W177 HydrophobicContact SD-CZ3 3.93Å; F108-W177 HydrophobicContact CB-CH2 3.98Å; F108-W177 HydrophobicContact CB-CZ2 4.31Å; F108-W177 AromaticContact CD1-CH2 3.95Å; F108-W177 HydrophobicContact CD1-CH2 3.95Å; F108-W177 HydrophobicContact CD1-CZ3 4.31Å; F108-W177 HydrophobicContact CD2-CH2 4.06Å; F108-W177 HydrophobicContact CE1-CH2 4.46Å; F108-W177 HydrophobicContact CE1-CZ3 4.46Å; F108-W177 AromaticContact CG-CH2 3.72Å; F108-W177 HydrophobicContact CG-CH2 3.72Å; F108-W177 HydrophobicContact CG-CZ3 4.47Å; V166-W177 CarbonylContact O-C 3.56Å; V166-W177 WeakPolarHBondContact O-CA 3.08Å; K167-W177 HydrophobicContact CB-CB 4.48Å; K167-W177 HydrophobicContact CG-CB 3.89Å; W177-W179 AromaticContact CE3-CD1 3.74Å; W177-W179 AromaticContact CZ3-CD1 3.59Å; W177-M202 HydrophobicContact CZ2-CE 4.4Å; W177-L233 HydrophobicContact CH2-CD1 3.39Å; W177-L233 HydrophobicContact CZ2-CD1 3.98Å; W177-L233 HydrophobicContact CZ3-CD1 3.91Å; W177-V306 HydrophobicContact CZ3-CG1 4.21Å; W177-F308 AromaticContact CD1-CD1 3.83Å; W177-F308 AromaticContact CD1-CG 3.84Å; W177-F308 HydrophobicContact CD2-CB 3.39Å; W177-F308 HydrophobicContact CD2-CG 4.17Å; W177-F308 AromaticContact CE2-CD2 3.85Å; W177-F308 AromaticContact CE2-CG 3.54Å; W177-F308 HydrophobicContact CE3-CB 3.91Å; W177-F308 HydrophobicContact CG-CB 3.77Å; W177-F308 HydrophobicContact CG-CG 4.37Å; W177-F308 HydrophobicContact CH2-CB 4.11Å; W177-F308 HydrophobicContact CZ2-CB 3.62Å; W177-F308 AromaticContact CZ2-CD2 3.77Å; W177-F308 HydrophobicContact CZ2-CD2 3.77Å; W177-F308 AromaticContact CZ2-CG 3.92Å; W177-F308 HydrophobicContact CZ2-CG 3.92Å; W177-F308 HydrophobicContact CZ3-CB 4.21Å; W177-F308 PolarHBondContact N-O 3.46Å; W177-F308 AromaticContact NE1-CD1 3.63Å; W177-F308 AromaticContact NE1-CD2 3.75Å; W177-F308 AromaticContact NE1-CG 3.31Å; W177-F308 VanDerWaalsContact NE1-CG 3.31Å; W177-F308 PolarHBondContact O-N 2.89Å
178	A	98.3	Very high	89.9	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.3	177.3	0	0	0	0	0	112	M165 V166 V306 A307 L320 F325	M165-A178 VanDerWaalsContact CA-O 3.24Å; M165-A178 WeakPolarHBondContact CA-O 3.48Å; V166-A178 PolarHBondContact N-O 3.1Å; V166-A178 PolarHBondContact O-N 3.23Å; A178-V306 CarbonylContact C-O 3.52Å; A178-V306 WeakPolarHBondContact CA-O 3.46Å; A178-V306 WeakPolarHBondContact CB-O 3.43Å; A178-A307 HydrophobicContact CB-CB 4.21Å; A178-L320 HydrophobicContact CB-CB 3.95Å; A178-L320 HydrophobicContact CB-CD2 3.91Å; A178-L320 HydrophobicContact CB-CG 3.88Å; A178-L320 WeakPolarHBondContact CB-O 3.32Å; A178-F325 HydrophobicContact CB-CD2 3.92Å; A178-F325 HydrophobicContact CB-CE2 4.06Å
179	W	98.4	Very high	87.8	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	168.4	-76.5	84.4	0	0	0	109.7	T89 I96 M98 F108 W141 A163 T164 M165 W177 I181 E305 V306	T89-W179 HydrophobicContact CG2-CH2 4.28Å; T89-W179 HydrophobicContact CG2-CZ2 4.06Å; I96-W179 HydrophobicContact CG2-CD2 4.3Å; I96-W179 HydrophobicContact CG2-CE3 4.07Å; I96-W179 HydrophobicContact CG2-CH2 3.9Å; I96-W179 HydrophobicContact CG2-CZ2 4.19Å; I96-W179 HydrophobicContact CG2-CZ3 3.89Å; M98-W179 PolarHBondContact SD-NE1 3.22Å; F108-W179 AromaticContact CE1-CD1 3.95Å; F108-W179 HydrophobicContact CE1-CG 4.39Å; W141-W179 AromaticContact CH2-CH2 3.66Å; W141-W179 HydrophobicContact CH2-CH2 3.66Å; W141-W179 HydrophobicContact CH2-CZ3 4.3Å; W141-W179 HydrophobicContact CZ2-CH2 4.44Å; W141-W179 HydrophobicContact CZ3-CH2 4.49Å; A163-W179 HydrophobicContact CB-CE3 4.05Å; A163-W179 HydrophobicContact CB-CZ3 3.76Å; T164-W179 CarbonylContact O-C 3.56Å; T164-W179 VanDerWaalsContact O-CA 3.3Å; T164-W179 WeakPolarHBondContact O-CA 3.33Å; M165-W179 HydrophobicContact CB-CD2 3.62Å; M165-W179 HydrophobicContact CB-CE3 3.8Å; M165-W179 HydrophobicContact CB-CG 4.21Å; M165-W179 HydrophobicContact CB-CH2 4.06Å; M165-W179 HydrophobicContact CB-CZ2 3.84Å; M165-W179 HydrophobicContact CB-CZ3 4Å; M165-W179 HydrophobicContact CG-CH2 4.14Å; M165-W179 HydrophobicContact CG-CZ2 4.05Å; M165-W179 HydrophobicContact CG-CZ3 4.41Å; W177-W179 AromaticContact CE3-CD1 3.74Å; W177-W179 AromaticContact CZ3-CD1 3.59Å; W179-I181 HydrophobicContact CB-CD1 4.42Å; W179-I181 HydrophobicContact CE3-CD1 4.16Å; W179-E305 CarbonylContact O-C 3.58Å; W179-E305 WeakPolarHBondContact O-CA 3.5Å; W179-V306 HydrophobicContact CB-CB 4.27Å; W179-V306 PolarHBondContact N-O 2.86Å; W179-V306 PolarHBondContact O-N 3.03Å
180	R	98.1	Very high	85.6	Confident	12 Å²	12	59.4 Å²	59.4	5%	0.045	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.3	165	-176.7	-178.1	-72.8	169.9	0.2	108.5	T164 E182 R303 I304 E305 G322 F325 D326	T164-R180 PolarHBondContact N-O 3.39Å; T164-R180 PolarHBondContact O-N 3.34Å; R180-E182 HydrophobicContact CG-CG 3.97Å; R180-R303 HydrophobicContact CG-CG 3.78Å; R180-I304 WeakPolarHBondContact CA-O 3.32Å; R180-E305 HydrophobicContact CG-CG 4.21Å; R180-E305 IonicContact CZ-OE1 3.66Å; R180-E305 VanDerWaalsContact CZ-OE1 3.27Å; R180-E305 IonicContact NE-OE1 3.91Å; R180-E305 PolarHBondContact NE-OE1 3.34Å; R180-E305 IonicContact NH2-OE1 2.83Å; R180-E305 PolarHBondContact NH2-OE1 3.1Å; R180-G322 PolarHBondContact NH2-O 3.19Å; R180-F325 HydrophobicContact CB-CE1 3.92Å; R180-F325 HydrophobicContact CB-CE2 4.23Å; R180-F325 HydrophobicContact CB-CZ 3.65Å; R180-F325 VanDerWaalsContact CZ-CD1 3.44Å; R180-D326 IonicContact CZ-OD1 2.72Å; R180-D326 IonicContact NH1-OD1 3.93Å; R180-D326 PolarHBondContact NH1-OD1 3.47Å; R180-D326 IonicContact NH1-OD2 2.78Å; R180-D326 IonicContact NH2-OD1 3.29Å; R180-D326 PolarHBondContact NH2-OD1 3.11Å; R180-D326 IonicContact NH2-OD2 3.51Å
181	I	97.4	Very high	83.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.1	178.2	-51.7	-54.8	0	0	0	107.7	I96 I161 A163 W179 T183 F198 F200 R303 I304	I96-I181 HydrophobicContact CD1-CD1 4.06Å; I161-I181 HydrophobicContact CG2-CG2 3.67Å; A163-I181 HydrophobicContact CB-CD1 3.65Å; W179-I181 HydrophobicContact CB-CD1 4.42Å; W179-I181 HydrophobicContact CE3-CD1 4.16Å; I181-T183 HydrophobicContact CG2-CG2 4.41Å; I181-F198 HydrophobicContact CG2-CE1 4.24Å; I181-F200 HydrophobicContact CG1-CE1 4.1Å; I181-F200 HydrophobicContact CG1-CZ 4.47Å; I181-R303 WeakPolarHBondContact O-CA 3.29Å; I181-I304 HydrophobicContact CB-CB 4.39Å; I181-I304 PolarHBondContact N-O 2.86Å; I181-I304 PolarHBondContact O-N 3.45Å
182	E	96.4	Very high	82	Confident	46 Å²	46	61.7 Å²	61.7	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.6	175.6	-55.4	-176.6	105.6	0	0	108.8	I161 K162 R180 T302 R303	I161-E182 CarbonylContact C-O 3.56Å; I161-E182 WeakPolarHBondContact CA-O 3.42Å; K162-E182 HydrophobicContact CB-CB 4.32Å; K162-E182 PolarHBondContact N-O 2.63Å; K162-E182 IonicContact NZ-OE2 2.68Å; K162-E182 PolarHBondContact O-N 3.17Å; R180-E182 HydrophobicContact CG-CG 3.97Å; E182-T302 WeakPolarHBondContact CA-O 3.29Å; E182-R303 HydrophobicContact CG-CG 4.18Å; E182-R303 IonicContact OE1-CZ 3.82Å; E182-R303 IonicContact OE1-NE 3.18Å; E182-R303 PolarHBondContact OE1-NE 2.79Å; E182-R303 IonicContact OE1-NH2 2.64Å; E182-R303 PolarHBondContact OE1-NH2 3.15Å
183	T	94	Very high	80.9	Confident	11 Å²	11	58 Å²	58	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.4	-176.2	56.3	0	0	0	0	110.1	L159 Q160 I181 F198 N301 T302	L159-T183 HydrophobicContact CD1-CG2 4.4Å; Q160-T183 CarbonylContact O-C 3.51Å; Q160-T183 WeakPolarHBondContact O-CA 3.21Å; I181-T183 HydrophobicContact CG2-CG2 4.41Å; T183-F198 HydrophobicContact CG2-CE1 4.21Å; T183-F198 HydrophobicContact CG2-CE2 3.86Å; T183-F198 HydrophobicContact CG2-CZ 3.43Å; T183-F198 VanDerWaalsContact CG2-CZ 3.43Å; T183-N301 WeakPolarHBondContact O-CA 3.24Å; T183-N301 WeakPolarHBondContact O-CB 3.34Å; T183-T302 PolarHBondContact N-O 3.37Å; T183-T302 PolarHBondContact O-N 3.48Å; T183-T302 WeakPolarHBondContact OG1-CG2 3.47Å; T183-T302 PolarHBondContact OG1-N 2.79Å; T183-T302 PolarHBondContact OG1-O 2.92Å; T183-T302 VanDerWaalsContact OG1-O 3.08Å
184	D	91.1	Very high	80.2	Confident	66 Å²	66	58.5 Å²	58.5	35%	0.353	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.8	174.6	-167.3	-3.2	0	0	0	109.1	Q160 N301	Q160-D184 HydrophobicContact CB-CB 4.31Å; Q160-D184 PolarHBondContact N-O 3.16Å; Q160-D184 PolarHBondContact O-N 3.27Å; D184-N301 WeakPolarHBondContact CA-OD1 3.45Å; D184-N301 VanDerWaalsContact OD1-CG 3.23Å; D184-N301 PolarHBondContact OD1-ND2 3.49Å; D184-N301 PolarHBondContact OD1-OD1 3.45Å; D184-N301 VanDerWaalsContact OD1-OD1 3.13Å
185	I	85.7	Confident	79.9	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.195	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109	178.5	-56.7	-176.7	0	0	0	108.4	H158 A187 K193 Y196 N301	H158-I185 CarbonylContact O-C 3.57Å; H158-I185 WeakPolarHBondContact O-CA 3.36Å; I185-A187 PolarHBondContact O-N 3.3Å; I185-K193 HydrophobicContact CG2-CD 4.13Å; I185-Y196 HydrophobicContact CD1-CD2 4.18Å; I185-Y196 HydrophobicContact CD1-CE2 4.3Å; I185-Y196 HydrophobicContact CG1-CE2 4.46Å; I185-N301 PolarHBondContact N-OD1 3.41Å
186	L	82.8	Confident	79.9	Confident	65 Å²	65	59.1 Å²	59.1	34%	0.34	32%	0.317	S	S	.	.			trans	-64.9	120.4	179.9	-55.9	177.3	0	0	0	109.8	V155 H158 E188 K193	V155-L186 HydrophobicContact CG1-CD1 4.36Å; H158-L186 PolarHBondContact O-N 3.02Å; L186-E188 PolarHBondContact O-N 3Å; L186-K193 PolarHBondContact O-NZ 2.76Å
187	A	68.5	Low	79.9	Confident	97 Å²	97	58.8 Å²	58.8	80%	0.802	32%	0.315	S	S	*	.			trans	-72.7	122.9	-175.6	0	0	0	0	0	111.6	I185	I185-A187 PolarHBondContact O-N 3.3Å
188	E	53.3	Low	79.9	Confident	146 Å²	146	58.8 Å²	58.8	68%	0.682	32%	0.315	S	S	*	.	S	Bend	trans	-138.7	110	150.7	-87.6	-175.7	170.2	0	0	103.8	L186 K193	L186-E188 PolarHBondContact O-N 3Å; E188-K193 VanDerWaalsContact O-CE 3.31Å; E188-K193 WeakPolarHBondContact O-CE 3.25Å; E188-K193 PolarHBondContact O-NZ 2.87Å
189	E	49.3	Very low	79.9	Confident	172 Å²	172	58.7 Å²	58.7	80%	0.804	31%	0.314	S	S	*	.	S	Bend	trans	58.2	137.8	175.7	-61.4	-177.6	167	0	0	118.3	V191	E189-V191 PolarHBondContact O-N 3.39Å
190	E	46.9	Very low	79.9	Confident	205 Å²	205	58.6 Å²	58.6	96%	0.958	31%	0.314	S	S	*	.	S	Bend	trans	-64.4	22.5	-176	-72.7	-177.3	142	0	0	115.6	T192	E190-T192 PolarHBondContact O-N 2.73Å
191	V	47.6	Very low	79.9	Confident	106 Å²	106	58 Å²	58	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-72.4	126.2	170.8	-175.7	0	0	0	0	107.5	E189 K193	E189-V191 PolarHBondContact O-N 3.39Å; V191-K193 VanDerWaalsContact C-N 3.31Å; V191-K193 WeakPolarHBondContact O-CG 3.33Å; V191-K193 PolarHBondContact O-N 2.82Å
192	T	55.8	Low	79.9	Confident	137 Å²	137	58 Å²	58	84%	0.84	31%	0.312	S	S	*	.			trans	-48.4	89.2	176.3	49.3	0	0	0	0	111.1	E190	E190-T192 PolarHBondContact O-N 2.73Å
193	K	65.6	Low	80	Confident	66 Å²	66	56 Å²	56	29%	0.287	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-65.6	138.3	-178.4	-64.7	-171.4	-176.9	-173.6	0	108.4	I185 L186 E188 V191	I185-K193 HydrophobicContact CG2-CD 4.13Å; L186-K193 PolarHBondContact O-NZ 2.76Å; E188-K193 VanDerWaalsContact O-CE 3.31Å; E188-K193 WeakPolarHBondContact O-CE 3.25Å; E188-K193 PolarHBondContact O-NZ 2.87Å; V191-K193 VanDerWaalsContact C-N 3.31Å; V191-K193 WeakPolarHBondContact O-CG 3.33Å; V191-K193 PolarHBondContact O-N 2.82Å
194	P	77	Confident	80.1	Confident	31 Å²	31	55.5 Å²	55.5	20%	0.201	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-58.7	145.8	175.4	18.2	-23.8	0	0	0	110.3	L114 Q115	L114-P194 HydrophobicContact CD1-CB 4.23Å; L114-P194 HydrophobicContact CD1-CG 3.85Å; L114-P194 VanDerWaalsContact CD1-O 3.28Å; L114-P194 WeakPolarHBondContact CD1-O 3.18Å; L114-P194 HydrophobicContact CD2-CG 4.26Å; L114-P194 HydrophobicContact CG-CG 4.04Å; Q115-P194 HydrophobicContact CB-CB 4.32Å; Q115-P194 WeakPolarHBondContact O-CB 3.23Å; Q115-P194 WeakPolarHBondContact O-CG 3.07Å
195	P	87.8	Confident	80.3	Confident	12 Å²	12	54.7 Å²	54.7	8%	0.078	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.3	159.9	-178.3	26.7	-31.7	0	0	0	111.8	Q115 L277 T297 L298 A299	Q115-P195 HydrophobicContact CB-CG 4.12Å; Q115-P195 WeakPolarHBondContact CB-O 3.33Å; Q115-P195 HydrophobicContact CG-CG 4.08Å; Q115-P195 VanDerWaalsContact CG-O 3.29Å; Q115-P195 WeakPolarHBondContact CG-O 3.33Å; Q115-P195 PolarHBondContact N-O 2.83Å; P195-L277 HydrophobicContact CG-CD2 3.96Å; P195-T297 HydrophobicContact CB-CG2 3.83Å; P195-T297 HydrophobicContact CG-CG2 3.88Å; P195-L298 WeakPolarHBondContact CA-O 3.34Å; P195-L298 WeakPolarHBondContact CB-O 3.44Å; P195-A299 HydrophobicContact CB-CB 4.34Å
196	Y	92.1	Very high	80.6	Confident	18 Å²	18	54.9 Å²	54.9	7%	0.071	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.2	170.8	-74.6	-88.1	0	0	0	110.1	L114 L159 I185 T297 L298	L114-Y196 HydrophobicContact CB-CD1 4.14Å; L114-Y196 HydrophobicContact CB-CE1 3.81Å; L114-Y196 HydrophobicContact CD1-CD1 4.04Å; L114-Y196 HydrophobicContact CD1-CD2 4.14Å; L114-Y196 HydrophobicContact CD1-CE1 3.75Å; L114-Y196 HydrophobicContact CD1-CE2 3.82Å; L114-Y196 HydrophobicContact CD1-CG 4.25Å; L114-Y196 HydrophobicContact CG-CE1 4.32Å; L159-Y196 HydrophobicContact CB-CE1 3.86Å; L159-Y196 HydrophobicContact CB-CE2 4.03Å; L159-Y196 HydrophobicContact CD1-CD2 4.14Å; L159-Y196 HydrophobicContact CD1-CE2 4.21Å; L159-Y196 HydrophobicContact CD1-CG 4.38Å; L159-Y196 HydrophobicContact CD2-CD1 3.68Å; L159-Y196 HydrophobicContact CD2-CE1 3.74Å; L159-Y196 HydrophobicContact CD2-CG 4.09Å; L159-Y196 HydrophobicContact CG-CE1 4.31Å; I185-Y196 HydrophobicContact CD1-CD2 4.18Å; I185-Y196 HydrophobicContact CD1-CE2 4.3Å; I185-Y196 HydrophobicContact CG1-CE2 4.46Å; Y196-T297 WeakPolarHBondContact O-CA 3.33Å; Y196-L298 PolarHBondContact N-O 2.63Å; Y196-L298 VanDerWaalsContact N-O 3.07Å; Y196-L298 PolarHBondContact O-N 2.7Å
197	S	94.6	Very high	81	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.9	171.1	-70.6	0	0	0	0	110.1	W112 Y113 Q115 Q295 V296 T297	W112-S197 CarbonylContact C-O 3.59Å; W112-S197 WeakPolarHBondContact CA-O 3.26Å; W112-S197 WeakPolarHBondContact CB-O 3.4Å; Y113-S197 VanDerWaalsContact CZ-CB 3.42Å; Y113-S197 PolarHBondContact N-O 2.93Å; Y113-S197 PolarHBondContact O-N 2.91Å; Q115-S197 PolarHBondContact NE2-OG 3.41Å; S197-Q295 PolarHBondContact OG-NE2 2.79Å; S197-V296 CarbonylContact C-O 3.5Å; S197-V296 WeakPolarHBondContact CA-O 3.5Å; S197-T297 WeakPolarHBondContact OG-CG2 3.34Å; S197-T297 PolarHBondContact OG-OG1 3.12Å
198	F	97	Very high	82.2	Confident	2 Å²	2	51 Å²	51	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.6	175.1	-73	-98.5	0	0	0	109	V110 M111 W112 L159 I161 I181 T183 F200 Q295 V296 L298 I304	V110-F198 HydrophobicContact CG1-CD1 4.26Å; M111-F198 CarbonylContact O-C 3.58Å; M111-F198 WeakPolarHBondContact O-CA 3.28Å; W112-F198 HydrophobicContact CB-CD1 3.73Å; W112-F198 HydrophobicContact CB-CE1 3.77Å; W112-F198 HydrophobicContact CB-CG 4.15Å; W112-F198 HydrophobicContact CB-CZ 4.23Å; W112-F198 HydrophobicContact CG-CE1 4.18Å; L159-F198 HydrophobicContact CD2-CZ 4.04Å; I161-F198 HydrophobicContact CD1-CE1 3.91Å; I161-F198 HydrophobicContact CD1-CZ 4.18Å; I161-F198 HydrophobicContact CG1-CE1 4.42Å; I161-F198 HydrophobicContact CG1-CZ 4.36Å; I181-F198 HydrophobicContact CG2-CE1 4.24Å; T183-F198 HydrophobicContact CG2-CE1 4.21Å; T183-F198 HydrophobicContact CG2-CE2 3.86Å; T183-F198 HydrophobicContact CG2-CZ 3.43Å; T183-F198 VanDerWaalsContact CG2-CZ 3.43Å; F198-F200 HydrophobicContact CB-CD2 4.48Å; F198-F200 HydrophobicContact CB-CE2 3.66Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F198-Q295 CarbonylContact O-C 3.54Å; F198-Q295 WeakPolarHBondContact O-CA 3.28Å; F198-V296 HydrophobicContact CB-CG2 4.05Å; F198-V296 PolarHBondContact N-O 2.82Å; F198-V296 PolarHBondContact O-N 3.31Å; F198-L298 HydrophobicContact CD2-CD1 4.04Å; F198-I304 HydrophobicContact CB-CD1 4.49Å; F198-I304 HydrophobicContact CG-CD1 4.39Å
199	I	97.9	Very high	84.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.2	176.1	-56.6	173.7	0	0	0	107.9	V110 M111 Y113 I261 L280 A293 V294 Q295	V110-I199 CarbonylContact C-O 3.53Å; V110-I199 WeakPolarHBondContact CA-O 3.25Å; M111-I199 HydrophobicContact CB-CB 4.14Å; M111-I199 PolarHBondContact N-O 2.84Å; M111-I199 PolarHBondContact O-N 3.33Å; Y113-I199 HydrophobicContact CE1-CD1 4.04Å; Y113-I199 HydrophobicContact CE1-CG1 4.43Å; I199-I261 HydrophobicContact CD1-CG2 3.69Å; I199-I261 HydrophobicContact CG2-CD1 4.32Å; I199-L280 HydrophobicContact CD1-CD2 4.33Å; I199-L280 HydrophobicContact CG2-CD1 4.26Å; I199-A293 HydrophobicContact CG2-CB 3.82Å; I199-V294 CarbonylContact C-O 3.42Å; I199-V294 WeakPolarHBondContact CA-O 3.25Å; I199-Q295 HydrophobicContact CG1-CB 4Å; I199-Q295 HydrophobicContact CG1-CG 3.89Å
200	F	98.4	Very high	86.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130	174.2	-60.7	-88.5	0	0	0	108.2	F108 V110 I181 F198 I235 A293 V294 V296 I304 V306	F108-F200 HydrophobicContact CE2-CD1 4.44Å; F108-F200 HydrophobicContact CZ-CD1 4.17Å; V110-F200 HydrophobicContact CB-CD1 4.47Å; V110-F200 HydrophobicContact CB-CE1 4.47Å; V110-F200 HydrophobicContact CG1-CD1 4.07Å; V110-F200 HydrophobicContact CG1-CE1 3.78Å; V110-F200 HydrophobicContact CG1-CZ 4.23Å; V110-F200 HydrophobicContact CG2-CD1 3.72Å; V110-F200 HydrophobicContact CG2-CE1 3.82Å; I181-F200 HydrophobicContact CG1-CE1 4.1Å; I181-F200 HydrophobicContact CG1-CZ 4.47Å; F198-F200 HydrophobicContact CB-CD2 4.48Å; F198-F200 HydrophobicContact CB-CE2 3.66Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F200-I235 HydrophobicContact CB-CD1 3.67Å; F200-I235 HydrophobicContact CB-CG1 4.16Å; F200-I235 HydrophobicContact CB-CG2 4.42Å; F200-I235 HydrophobicContact CD2-CG2 3.98Å; F200-I235 HydrophobicContact CE2-CG2 4.5Å; F200-I235 HydrophobicContact CG-CG2 4.13Å; F200-A293 CarbonylContact O-C 3.47Å; F200-A293 VanDerWaalsContact O-CA 3.29Å; F200-A293 WeakPolarHBondContact O-CA 3.47Å; F200-V294 PolarHBondContact N-O 3.48Å; F200-V294 PolarHBondContact O-N 3.01Å; F200-V296 HydrophobicContact CD2-CG2 4.38Å; F200-V296 HydrophobicContact CE2-CG2 3.79Å; F200-I304 HydrophobicContact CE1-CG2 4.42Å; F200-I304 HydrophobicContact CE2-CD1 3.89Å; F200-I304 HydrophobicContact CE2-CG2 4.06Å; F200-I304 HydrophobicContact CZ-CB 4.28Å; F200-I304 HydrophobicContact CZ-CD1 3.64Å; F200-I304 HydrophobicContact CZ-CG2 3.76Å; F200-V306 HydrophobicContact CD1-CG2 3.65Å; F200-V306 HydrophobicContact CE1-CG2 3.76Å; F200-V306 HydrophobicContact CG-CG2 4.46Å
201	Y	98.3	Very high	88.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.5	-179.4	71.3	-99	0	0	0	113.2	R91 L94 F108 G109 M111 H128 I257 F291 I292	R91-Y201 PolarHBondContact NH1-OH 3.37Å; L94-Y201 VanDerWaalsContact CD1-OH 3.26Å; L94-Y201 WeakPolarHBondContact CD1-OH 3.5Å; F108-Y201 WeakPolarHBondContact CA-O 3.37Å; F108-Y201 WeakPolarHBondContact CD2-O 3.29Å; G109-Y201 VanDerWaalsContact CA-CZ 3.5Å; G109-Y201 PolarHBondContact N-O 2.91Å; G109-Y201 WeakPolarHBondContact O-CD1 3.15Å; G109-Y201 PolarHBondContact O-N 2.86Å; G109-Y201 VanDerWaalsContact O-N 3.11Å; M111-Y201 HydrophobicContact CE-CD1 3.9Å; M111-Y201 HydrophobicContact CE-CE1 3.58Å; M111-Y201 HydrophobicContact CG-CD1 4.43Å; M111-Y201 HydrophobicContact CG-CE1 4.22Å; H128-Y201 AromaticContact NE2-CE1 3.59Å; H128-Y201 AromaticContact NE2-CZ 3.62Å; H128-Y201 PolarHBondContact NE2-OH 2.76Å; Y201-I257 HydrophobicContact CD1-CG2 4.44Å; Y201-I257 HydrophobicContact CD2-CD1 4.31Å; Y201-I257 HydrophobicContact CE1-CG2 4.34Å; Y201-I257 HydrophobicContact CE2-CD1 3.73Å; Y201-F291 HydrophobicContact CD2-CD2 4.49Å; Y201-F291 AromaticContact CD2-CE2 3.67Å; Y201-F291 HydrophobicContact CD2-CE2 3.67Å; Y201-F291 HydrophobicContact CD2-CZ 4.43Å; Y201-F291 AromaticContact CG-CE2 3.81Å; Y201-F291 HydrophobicContact CG-CE2 3.81Å; Y201-F291 HydrophobicContact CG-CZ 4.11Å; Y201-I292 CarbonylContact C-O 2.89Å; Y201-I292 WeakPolarHBondContact CA-O 3.44Å; Y201-I292 WeakPolarHBondContact CB-O 3.45Å
202	M	98.3	Very high	91	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.5	167.7	-178.8	165.4	-84.9	0	0	109.9	P106 L107 W177 L210 I221 F231 L233 F291 I292 F308	P106-M202 HydrophobicContact CB-CE 4.29Å; P106-M202 HydrophobicContact CB-CG 4.46Å; P106-M202 HydrophobicContact CB-SD 4.38Å; L107-M202 CarbonylContact O-C 3.53Å; L107-M202 WeakPolarHBondContact O-CA 3.35Å; W177-M202 HydrophobicContact CZ2-CE 4.4Å; M202-L210 HydrophobicContact CB-CD1 4.42Å; M202-L210 HydrophobicContact CG-CD1 4.22Å; M202-L210 WeakPolarHBondContact O-CD1 3.29Å; M202-I221 HydrophobicContact CB-CD1 4.29Å; M202-I221 HydrophobicContact SD-CG2 4.37Å; M202-F231 HydrophobicContact SD-CE2 3.66Å; M202-F231 HydrophobicContact SD-CZ 4.38Å; M202-L233 HydrophobicContact CB-CD2 4.26Å; M202-L233 HydrophobicContact CE-CB 3.93Å; M202-L233 HydrophobicContact CE-CD1 3.95Å; M202-L233 HydrophobicContact CE-CD2 3.86Å; M202-L233 HydrophobicContact CE-CG 4.13Å; M202-L233 HydrophobicContact SD-CB 4.19Å; M202-L233 HydrophobicContact SD-CD2 4.43Å; M202-F291 WeakPolarHBondContact O-CA 3.49Å; M202-I292 PolarHBondContact N-O 2.72Å; M202-I292 PolarHBondContact O-N 3.27Å; M202-F308 HydrophobicContact CE-CD2 4.02Å; M202-F308 HydrophobicContact CE-CE2 4.18Å
203	M	97.7	Very high	92.9	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.7	175.6	-173.4	178.9	163.4	0	0	110.3	P106 L107 P205 L251 A254 I257 N290 F291	P106-M203 WeakPolarHBondContact CA-O 3.47Å; L107-M203 HydrophobicContact CB-CB 4.39Å; L107-M203 PolarHBondContact N-O 3.31Å; L107-M203 PolarHBondContact O-N 2.59Å; M203-P205 WeakPolarHBondContact O-CD 3.32Å; M203-L251 HydrophobicContact CE-CB 4.21Å; M203-L251 HydrophobicContact SD-CB 4.43Å; M203-A254 HydrophobicContact CE-CB 4.32Å; M203-A254 HydrophobicContact SD-CB 3.79Å; M203-I257 HydrophobicContact SD-CD1 4.07Å; M203-I257 HydrophobicContact SD-CG1 4.47Å; M203-N290 CarbonylContact C-O 3.57Å; M203-N290 VanDerWaalsContact CA-O 3.28Å; M203-N290 WeakPolarHBondContact CA-O 3.09Å; M203-F291 HydrophobicContact CB-CD2 3.99Å; M203-F291 HydrophobicContact CG-CD2 4.32Å
204	L	97.4	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.			trans	-103.6	106.6	167.7	-59.1	-171.9	0	0	0	110.1	P106 S206 G207 D208 L210 T225 F231 N290	P106-L204 HydrophobicContact CB-CD2 3.61Å; P106-L204 HydrophobicContact CG-CD2 3.58Å; L204-S206 PolarHBondContact O-N 3.37Å; L204-G207 PolarHBondContact O-N 2.95Å; L204-D208 HydrophobicContact CD1-CB 3.73Å; L204-L210 HydrophobicContact CD1-CD2 3.51Å; L204-L210 HydrophobicContact CD1-CG 3.86Å; L204-L210 HydrophobicContact CD2-CD2 4.26Å; L204-L210 HydrophobicContact CG-CD1 4.18Å; L204-L210 HydrophobicContact CG-CD2 3.71Å; L204-L210 HydrophobicContact CG-CG 3.86Å; L204-T225 HydrophobicContact CD1-CG2 4.41Å; L204-T225 HydrophobicContact CD2-CG2 4.12Å; L204-F231 HydrophobicContact CD1-CZ 4.39Å; L204-F231 HydrophobicContact CD2-CZ 4Å; L204-N290 HydrophobicContact CB-CB 4.43Å; L204-N290 PolarHBondContact N-O 3.22Å; L204-N290 PolarHBondContact O-ND2 3.5Å; L204-N290 VanDerWaalsContact O-ND2 3.07Å
205	P	94.6	Very high	95	Very high	48 Å²	48	37.3 Å²	37.3	31%	0.312	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.6	177.5	-23.6	34.8	0	0	0	113.5	S105 L107 M203 G207	S105-P205 VanDerWaalsContact O-CD 3.26Å; S105-P205 WeakPolarHBondContact O-CD 3.28Å; S105-P205 WeakPolarHBondContact O-CG 3.29Å; L107-P205 HydrophobicContact CD1-CG 3.75Å; L107-P205 HydrophobicContact CG-CG 3.75Å; M203-P205 WeakPolarHBondContact O-CD 3.32Å; P205-G207 PolarHBondContact O-N 3.41Å
206	S	91.5	Very high	95.1	Very high	43 Å²	43	44.2 Å²	44.2	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.9	172.7	58.1	0	0	0	0	113	L204 D208	L204-S206 PolarHBondContact O-N 3.37Å; S206-D208 VanDerWaalsContact CB-OD2 3.24Å; S206-D208 WeakPolarHBondContact CB-OD2 3.39Å; S206-D208 PolarHBondContact OG-N 3.19Å; S206-D208 PolarHBondContact OG-OD2 2.68Å
207	G	90.6	Very high	95.1	Very high	14 Å²	14	45.6 Å²	45.6	14%	0.144	23%	0.232	C	C	.	.			trans	82.9	13	-172	0	0	0	0	0	113.9	L204 P205 R250	L204-G207 PolarHBondContact O-N 2.95Å; P205-G207 PolarHBondContact O-N 3.41Å; G207-R250 VanDerWaalsContact C-NH1 3.35Å; G207-R250 VanDerWaalsContact CA-NH1 3.28Å; G207-R250 VanDerWaalsContact CA-NH2 3.26Å; G207-R250 PolarHBondContact O-NH1 2.98Å
208	D	93.6	Very high	95.1	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-63.9	162	170.8	-63.5	-45.5	0	0	0	111.5	L204 S206 N290	L204-D208 HydrophobicContact CD1-CB 3.73Å; S206-D208 VanDerWaalsContact CB-OD2 3.24Å; S206-D208 WeakPolarHBondContact CB-OD2 3.39Å; S206-D208 PolarHBondContact OG-N 3.19Å; S206-D208 PolarHBondContact OG-OD2 2.68Å; D208-N290 WeakPolarHBondContact O-CA 3.44Å; D208-N290 WeakPolarHBondContact O-CB 3.43Å
209	I	95.5	Very high	95.1	Very high	83 Å²	83	47.8 Å²	47.8	43%	0.426	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-87.6	129.9	-170.8	-59.7	173.7	0	0	0	110.8	T289	I209-T289 CarbonylContact C-O 3.59Å; I209-T289 WeakPolarHBondContact CA-O 3.28Å
210	L	96.9	Very high	95.1	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-99.1	143.1	167.7	-66.7	177.7	0	0	0	110.9	M202 L204 I221 E222 F231 T289 N290 I292	M202-L210 HydrophobicContact CB-CD1 4.42Å; M202-L210 HydrophobicContact CG-CD1 4.22Å; M202-L210 WeakPolarHBondContact O-CD1 3.29Å; L204-L210 HydrophobicContact CD1-CD2 3.51Å; L204-L210 HydrophobicContact CD1-CG 3.86Å; L204-L210 HydrophobicContact CD2-CD2 4.26Å; L204-L210 HydrophobicContact CG-CD1 4.18Å; L204-L210 HydrophobicContact CG-CD2 3.71Å; L204-L210 HydrophobicContact CG-CG 3.86Å; L210-I221 HydrophobicContact CB-CG2 4.24Å; L210-I221 HydrophobicContact CD1-CG2 4.24Å; L210-I221 HydrophobicContact CD2-CG2 3.86Å; L210-I221 HydrophobicContact CG-CG2 4.36Å; L210-E222 CarbonylContact C-O 3.49Å; L210-E222 WeakPolarHBondContact CA-O 3.29Å; L210-F231 HydrophobicContact CD2-CZ 4.32Å; L210-T289 PolarHBondContact N-O 3.07Å; L210-N290 WeakPolarHBondContact CD1-O 3.43Å; L210-I292 HydrophobicContact CB-CD1 3.56Å; L210-I292 HydrophobicContact CB-CG1 3.84Å; L210-I292 HydrophobicContact CD1-CG1 4.19Å
211	K	95.8	Very high	95.1	Very high	134 Å²	134	48.8 Å²	48.8	58%	0.583	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	140.5	174	-62.6	175.8	-176.1	170.8	0	109.4	I221 E222	K211-I221 CarbonylContact O-C 3.6Å; K211-I221 VanDerWaalsContact O-CA 3.25Å; K211-I221 WeakPolarHBondContact O-CA 3.5Å; K211-E222 HydrophobicContact CB-CB 4.41Å; K211-E222 PolarHBondContact N-O 3.37Å; K211-E222 PolarHBondContact O-N 2.99Å
212	L	95.5	Very high	95	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.12	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.3	174.1	-177.6	68.3	0	0	0	110.1	Y219 T220 I221 H246 I292 V294	L212-Y219 HydrophobicContact CD1-CD1 4.2Å; L212-Y219 HydrophobicContact CD2-CD1 4.44Å; L212-T220 WeakPolarHBondContact CA-O 3.48Å; L212-I221 HydrophobicContact CD1-CG1 3.72Å; L212-H246 HydrophobicContact CD2-CB 3.82Å; L212-H246 WeakPolarHBondContact CD2-CD2 3.35Å; L212-H246 VanDerWaalsContact CD2-CG 3.49Å; L212-I292 HydrophobicContact CB-CD1 3.9Å; L212-I292 HydrophobicContact CB-CG2 4.28Å; L212-I292 HydrophobicContact CD1-CG2 4.17Å; L212-I292 HydrophobicContact CD2-CG2 4.16Å; L212-I292 HydrophobicContact CG-CG2 4.45Å; L212-V294 HydrophobicContact CD1-CG2 4.21Å
213	K	95.5	Very high	94.9	Very high	112 Å²	112	50.8 Å²	50.8	49%	0.487	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.8	165.2	-64.9	173.2	-177.5	163.2	0	108.4	T220 E222	K213-T220 PolarHBondContact N-O 2.89Å; K213-T220 PolarHBondContact O-N 3.46Å; K213-E222 WeakPolarHBondContact CE-OE2 3.41Å; K213-E222 IonicContact NZ-OE1 3.37Å; K213-E222 PolarHBondContact NZ-OE1 2.99Å; K213-E222 IonicContact NZ-OE2 2.79Å; K213-E222 PolarHBondContact NZ-OE2 2.88Å
214	Q	93.5	Very high	94.8	Very high	99 Å²	99	55.7 Å²	55.7	46%	0.463	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.4	174.3	-177.1	-175.2	-14.9	0	0	108.8	E216 V218 Y219	Q214-E216 PolarHBondContact NE2-O 3.38Å; Q214-V218 WeakPolarHBondContact CA-O 3.49Å; Q214-Y219 HydrophobicContact CB-CD1 4.01Å; Q214-Y219 HydrophobicContact CB-CE1 4.02Å; Q214-Y219 VanDerWaalsContact CD-CZ 3.44Å; Q214-Y219 VanDerWaalsContact CD-OH 3.31Å; Q214-Y219 HydrophobicContact CG-CD1 3.86Å; Q214-Y219 HydrophobicContact CG-CE1 3.55Å; Q214-Y219 HydrophobicContact CG-CE2 4.47Å; Q214-Y219 HydrophobicContact CG-CG 4.44Å; Q214-Y219 PolarHBondContact NE2-OH 2.98Å; Q214-Y219 VanDerWaalsContact OE1-CE1 3.23Å; Q214-Y219 PolarHBondContact OE1-OH 3.18Å
215	N	92.8	Very high	94.7	Very high	119 Å²	119	55.9 Å²	55.9	64%	0.636	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	114.7	169.7	-176.4	27.9	0	0	0	108.7	N217 V218	N215-N217 PolarHBondContact O-N 3.47Å; N215-N217 VanDerWaalsContact O-N 3.16Å; N215-V218 PolarHBondContact N-O 3.04Å; N215-V218 WeakPolarHBondContact O-CB 3.37Å; N215-V218 PolarHBondContact O-N 2.81Å
216	E	89.7	Confident	94.5	Very high	157 Å²	157	60 Å²	60	73%	0.734	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	-118.7	-172.1	-58.4	-177.4	167.9	0	0	111.6	Q214	Q214-E216 PolarHBondContact NE2-O 3.38Å
217	N	91.1	Very high	94.5	Very high	46 Å²	46	58.8 Å²	58.8	25%	0.246	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	11.2	179.7	-63.7	-31.2	0	0	0	113.5	N215 G237 P238 I241	N215-N217 PolarHBondContact O-N 3.47Å; N215-N217 VanDerWaalsContact O-N 3.16Å; N217-G237 PolarHBondContact O-N 3.16Å; N217-P238 PolarHBondContact ND2-O 2.76Å; N217-I241 HydrophobicContact CB-CD1 4.11Å
218	V	95.6	Very high	94.6	Very high	46 Å²	46	58.2 Å²	58.2	28%	0.279	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	179.8	-175.2	0	0	0	0	109.7	Q214 N215 I235 I236	Q214-V218 WeakPolarHBondContact CA-O 3.49Å; N215-V218 PolarHBondContact N-O 3.04Å; N215-V218 WeakPolarHBondContact O-CB 3.37Å; N215-V218 PolarHBondContact O-N 2.81Å; V218-I235 WeakPolarHBondContact CA-O 3.3Å; V218-I236 HydrophobicContact CG1-CG1 4.12Å; V218-I236 HydrophobicContact CG2-CG1 4.32Å; V218-I236 HydrophobicContact CG2-CG2 4.3Å
219	Y	97.1	Very high	94.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128	172.4	-65.7	-95.3	0	0	0	109.3	L212 Q214 H234 I235 S244 V294	L212-Y219 HydrophobicContact CD1-CD1 4.2Å; L212-Y219 HydrophobicContact CD2-CD1 4.44Å; Q214-Y219 HydrophobicContact CB-CD1 4.01Å; Q214-Y219 HydrophobicContact CB-CE1 4.02Å; Q214-Y219 VanDerWaalsContact CD-CZ 3.44Å; Q214-Y219 VanDerWaalsContact CD-OH 3.31Å; Q214-Y219 HydrophobicContact CG-CD1 3.86Å; Q214-Y219 HydrophobicContact CG-CE1 3.55Å; Q214-Y219 HydrophobicContact CG-CE2 4.47Å; Q214-Y219 HydrophobicContact CG-CG 4.44Å; Q214-Y219 PolarHBondContact NE2-OH 2.98Å; Q214-Y219 VanDerWaalsContact OE1-CE1 3.23Å; Q214-Y219 PolarHBondContact OE1-OH 3.18Å; Y219-H234 CarbonylContact O-C 3.56Å; Y219-H234 WeakPolarHBondContact O-CA 3.38Å; Y219-I235 PolarHBondContact N-O 2.89Å; Y219-I235 PolarHBondContact O-N 3.1Å; Y219-S244 WeakPolarHBondContact OH-CB 3.49Å; Y219-S244 PolarHBondContact OH-OG 3.26Å; Y219-V294 HydrophobicContact CD1-CG1 3.82Å; Y219-V294 HydrophobicContact CD1-CG2 3.89Å; Y219-V294 HydrophobicContact CD2-CG1 3.6Å; Y219-V294 HydrophobicContact CE1-CG1 3.96Å; Y219-V294 HydrophobicContact CE2-CG1 3.76Å; Y219-V294 HydrophobicContact CG-CB 4.45Å; Y219-V294 HydrophobicContact CG-CG1 3.63Å; Y219-V294 HydrophobicContact CG-CG2 3.99Å
220	T	97.8	Very high	94.5	Very high	22 Å²	22	59.5 Å²	59.5	14%	0.135	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.9	178.7	-56.4	0	0	0	0	109.2	L212 K213 E222 R232 L233 H234	L212-T220 WeakPolarHBondContact CA-O 3.48Å; K213-T220 PolarHBondContact N-O 2.89Å; K213-T220 PolarHBondContact O-N 3.46Å; T220-E222 HydrophobicContact CG2-CG 4.12Å; T220-R232 HydrophobicContact CG2-CB 4.05Å; T220-R232 HydrophobicContact CG2-CG 4.2Å; T220-L233 CarbonylContact C-O 3.58Å; T220-L233 WeakPolarHBondContact CA-O 3.35Å; T220-H234 PolarHBondContact OG1-ND1 3.17Å
221	I	97.8	Very high	94.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.6	170.9	-61.8	169.4	0	0	0	107.7	M202 L210 K211 L212 R232 L233 I235 I292	M202-I221 HydrophobicContact CB-CD1 4.29Å; M202-I221 HydrophobicContact SD-CG2 4.37Å; L210-I221 HydrophobicContact CB-CG2 4.24Å; L210-I221 HydrophobicContact CD1-CG2 4.24Å; L210-I221 HydrophobicContact CD2-CG2 3.86Å; L210-I221 HydrophobicContact CG-CG2 4.36Å; K211-I221 CarbonylContact O-C 3.6Å; K211-I221 VanDerWaalsContact O-CA 3.25Å; K211-I221 WeakPolarHBondContact O-CA 3.5Å; L212-I221 HydrophobicContact CD1-CG1 3.72Å; I221-R232 CarbonylContact O-C 3.52Å; I221-R232 VanDerWaalsContact O-CA 3.26Å; I221-R232 WeakPolarHBondContact O-CA 3.36Å; I221-L233 HydrophobicContact CB-CB 4.25Å; I221-L233 HydrophobicContact CD1-CD2 4.26Å; I221-L233 PolarHBondContact N-O 2.87Å; I221-L233 PolarHBondContact O-N 3.16Å; I221-I235 HydrophobicContact CD1-CD1 4.24Å; I221-I292 HydrophobicContact CD1-CB 3.94Å; I221-I292 HydrophobicContact CD1-CG2 3.77Å; I221-I292 HydrophobicContact CG1-CB 4.28Å; I221-I292 HydrophobicContact CG1-CG2 3.95Å; I221-I292 HydrophobicContact CG2-CD1 4.27Å
222	E	97	Very high	94.5	Very high	33 Å²	33	56.7 Å²	56.7	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.5	176.7	-50.2	-173	140.3	0	0	109.5	L210 K211 K213 T220 R232	L210-E222 CarbonylContact C-O 3.49Å; L210-E222 WeakPolarHBondContact CA-O 3.29Å; K211-E222 HydrophobicContact CB-CB 4.41Å; K211-E222 PolarHBondContact N-O 3.37Å; K211-E222 PolarHBondContact O-N 2.99Å; K213-E222 WeakPolarHBondContact CE-OE2 3.41Å; K213-E222 IonicContact NZ-OE1 3.37Å; K213-E222 PolarHBondContact NZ-OE1 2.99Å; K213-E222 IonicContact NZ-OE2 2.79Å; K213-E222 PolarHBondContact NZ-OE2 2.88Å; T220-E222 HydrophobicContact CG2-CG 4.12Å; E222-R232 HydrophobicContact CG-CG 4.09Å; E222-R232 IonicContact OE1-CZ 2.9Å; E222-R232 IonicContact OE1-NE 3.27Å; E222-R232 PolarHBondContact OE1-NE 3.37Å; E222-R232 IonicContact OE1-NH2 2.81Å; E222-R232 PolarHBondContact OE1-NH2 3.45Å
223	G	96.4	Very high	94.6	Very high	9 Å²	9	55.6 Å²	55.6	9%	0.093	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	170.2	176.7	0	0	0	0	0	112.1	F231	G223-F231 PolarHBondContact N-O 3.43Å; G223-F231 WeakPolarHBondContact O-CD1 3.48Å; G223-F231 WeakPolarHBondContact O-CE1 3.2Å; G223-F231 PolarHBondContact O-N 3.29Å
224	E	95.2	Very high	94.7	Very high	107 Å²	107	51.4 Å²	51.4	50%	0.5	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.7	176.2	-177.4	171.4	-161.1	0	0	108.7	K229	E224-K229 WeakPolarHBondContact CA-O 3.48Å
225	T	94.4	Very high	94.9	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	164.4	165.3	76.8	0	0	0	0	110.2	P106 L204 E227 L228 K229 F231	P106-T225 HydrophobicContact CG-CG2 4.18Å; L204-T225 HydrophobicContact CD1-CG2 4.41Å; L204-T225 HydrophobicContact CD2-CG2 4.12Å; T225-E227 VanDerWaalsContact C-N 3.29Å; T225-E227 WeakPolarHBondContact CB-OE2 3.25Å; T225-E227 PolarHBondContact O-N 3.09Å; T225-E227 PolarHBondContact OG1-OE2 3Å; T225-L228 PolarHBondContact OG1-N 3.41Å; T225-K229 PolarHBondContact N-O 3.32Å; T225-K229 VanDerWaalsContact O-CA 3.24Å; T225-K229 WeakPolarHBondContact O-CA 3.25Å; T225-K229 PolarHBondContact O-N 2.7Å; T225-F231 HydrophobicContact CG2-CE1 4.06Å
226	E	91.1	Very high	95.1	Very high	135 Å²	135	43.1 Å²	43.1	63%	0.631	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-43.9	176.6	-175.6	175.3	178.4	0	0	111.9	K229	E226-K229 WeakPolarHBondContact O-CE 3.43Å; E226-K229 PolarHBondContact O-NZ 2.95Å
227	E	91	Very high	95.2	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-37.3	-173	-46.3	102	140.7	0	0	112.9	Y78 S102 T225	Y78-E227 HydrophobicContact CD1-CB 4.4Å; Y78-E227 HydrophobicContact CD1-CG 3.59Å; Y78-E227 HydrophobicContact CD2-CB 3.64Å; Y78-E227 HydrophobicContact CD2-CG 3.74Å; Y78-E227 HydrophobicContact CE1-CB 4.33Å; Y78-E227 HydrophobicContact CE1-CG 3.62Å; Y78-E227 HydrophobicContact CE2-CB 3.53Å; Y78-E227 HydrophobicContact CE2-CG 3.77Å; Y78-E227 HydrophobicContact CG-CB 4.09Å; Y78-E227 HydrophobicContact CG-CG 3.66Å; S102-E227 PolarHBondContact OG-OE1 3.29Å; T225-E227 VanDerWaalsContact C-N 3.29Å; T225-E227 WeakPolarHBondContact CB-OE2 3.25Å; T225-E227 PolarHBondContact O-N 3.09Å; T225-E227 PolarHBondContact OG1-OE2 3Å
228	L	92.6	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-10.3	-171.8	-64.1	168	0	0	0	113.3	F86 W87 P106 P174 T225 F231 F308	F86-L228 HydrophobicContact CD1-CD2 4.48Å; F86-L228 HydrophobicContact CE1-CD1 4.48Å; F86-L228 HydrophobicContact CE1-CD2 3.79Å; F86-L228 HydrophobicContact CE1-CG 4.43Å; F86-L228 HydrophobicContact CZ-CD2 4.13Å; F86-L228 HydrophobicContact CZ-CG 4.45Å; W87-L228 HydrophobicContact CH2-CD1 3.7Å; W87-L228 HydrophobicContact CZ2-CD1 3.39Å; W87-L228 HydrophobicContact CZ2-CD2 3.83Å; W87-L228 HydrophobicContact CZ2-CG 4.26Å; P106-L228 HydrophobicContact CG-CD1 3.55Å; P174-L228 HydrophobicContact CB-CD2 4.12Å; P174-L228 HydrophobicContact CG-CD2 4Å; T225-L228 PolarHBondContact OG1-N 3.41Å; L228-F231 HydrophobicContact CB-CD1 4.2Å; L228-F308 HydrophobicContact CD1-CZ 4.19Å
229	K	93.1	Very high	94.7	Very high	101 Å²	101	42 Å²	42	44%	0.439	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	-145.7	-167.9	-49.1	-54.1	179.7	-159.5	0	109.6	E224 T225 E226 F231 V312	E224-K229 WeakPolarHBondContact CA-O 3.48Å; T225-K229 PolarHBondContact N-O 3.32Å; T225-K229 VanDerWaalsContact O-CA 3.24Å; T225-K229 WeakPolarHBondContact O-CA 3.25Å; T225-K229 PolarHBondContact O-N 2.7Å; E226-K229 WeakPolarHBondContact O-CE 3.43Å; E226-K229 PolarHBondContact O-NZ 2.95Å; K229-F231 WeakPolarHBondContact O-CD1 3.35Å; K229-V312 HydrophobicContact CB-CG2 3.97Å; K229-V312 HydrophobicContact CG-CG2 4.1Å
230	N	94.6	Very high	94.1	Very high	76 Å²	76	44.8 Å²	44.8	41%	0.406	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.4	178.4	-70.7	-76.9	0	0	0	111.2	L311	N230-L311 HydrophobicContact CB-CB 4.1Å; N230-L311 HydrophobicContact CB-CD1 4.06Å; N230-L311 VanDerWaalsContact O-CB 3.29Å; N230-L311 WeakPolarHBondContact O-CB 3.44Å; N230-L311 PolarHBondContact O-N 2.86Å
231	F	95.4	Very high	93.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167	176.2	64.9	-94	0	0	0	111.8	P106 M202 L204 L210 G223 T225 L228 K229 F308 E309	P106-F231 HydrophobicContact CG-CE1 4.19Å; P106-F231 HydrophobicContact CG-CZ 4.06Å; M202-F231 HydrophobicContact SD-CE2 3.66Å; M202-F231 HydrophobicContact SD-CZ 4.38Å; L204-F231 HydrophobicContact CD1-CZ 4.39Å; L204-F231 HydrophobicContact CD2-CZ 4Å; L210-F231 HydrophobicContact CD2-CZ 4.32Å; G223-F231 PolarHBondContact N-O 3.43Å; G223-F231 WeakPolarHBondContact O-CD1 3.48Å; G223-F231 WeakPolarHBondContact O-CE1 3.2Å; G223-F231 PolarHBondContact O-N 3.29Å; T225-F231 HydrophobicContact CG2-CE1 4.06Å; L228-F231 HydrophobicContact CB-CD1 4.2Å; K229-F231 WeakPolarHBondContact O-CD1 3.35Å; F231-F308 HydrophobicContact CB-CE1 4.02Å; F231-F308 HydrophobicContact CB-CE2 3.91Å; F231-F308 HydrophobicContact CB-CZ 3.41Å; F231-F308 VanDerWaalsContact CB-CZ 3.41Å; F231-F308 HydrophobicContact CD1-CE2 4.46Å; F231-F308 HydrophobicContact CD1-CZ 4.17Å; F231-F308 HydrophobicContact CD2-CD2 4.22Å; F231-F308 AromaticContact CD2-CE2 3.32Å; F231-F308 HydrophobicContact CD2-CE2 3.32Å; F231-F308 AromaticContact CD2-CZ 3.73Å; F231-F308 HydrophobicContact CD2-CZ 3.73Å; F231-F308 AromaticContact CE2-CE2 3.98Å; F231-F308 HydrophobicContact CE2-CE2 3.98Å; F231-F308 AromaticContact CG-CE2 3.63Å; F231-F308 HydrophobicContact CG-CE2 3.63Å; F231-F308 AromaticContact CG-CZ 3.48Å; F231-F308 HydrophobicContact CG-CZ 3.48Å; F231-F308 VanDerWaalsContact CG-CZ 3.48Å; F231-E309 CarbonylContact C-O 3.53Å; F231-E309 VanDerWaalsContact CA-O 3.24Å; F231-E309 WeakPolarHBondContact CA-O 3.47Å; F231-E309 WeakPolarHBondContact CB-O 3.47Å
232	R	96.9	Very high	92.9	Very high	79 Å²	79	50.9 Å²	50.9	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.8	170.6	-60	-174.5	172.3	129.2	3.9	111	T220 I221 E222 F308 E309 L311	T220-R232 HydrophobicContact CG2-CB 4.05Å; T220-R232 HydrophobicContact CG2-CG 4.2Å; I221-R232 CarbonylContact O-C 3.52Å; I221-R232 VanDerWaalsContact O-CA 3.26Å; I221-R232 WeakPolarHBondContact O-CA 3.36Å; E222-R232 HydrophobicContact CG-CG 4.09Å; E222-R232 IonicContact OE1-CZ 2.9Å; E222-R232 IonicContact OE1-NE 3.27Å; E222-R232 PolarHBondContact OE1-NE 3.37Å; E222-R232 IonicContact OE1-NH2 2.81Å; E222-R232 PolarHBondContact OE1-NH2 3.45Å; R232-F308 CarbonylContact O-C 3.54Å; R232-F308 WeakPolarHBondContact O-CA 3.42Å; R232-E309 HydrophobicContact CB-CB 4.4Å; R232-E309 PolarHBondContact N-O 2.9Å; R232-E309 PolarHBondContact O-N 3.2Å; R232-L311 HydrophobicContact CG-CD1 4.02Å; R232-L311 HydrophobicContact CG-CD2 4.5Å; R232-L311 HydrophobicContact CG-CG 4.49Å
233	L	97.9	Very high	92.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.1	164.2	-174.1	81.2	0	0	0	108.6	F108 W177 M202 T220 I221 I235 V306 F308	F108-L233 HydrophobicContact CD2-CD2 3.95Å; F108-L233 HydrophobicContact CE2-CD2 4.12Å; W177-L233 HydrophobicContact CH2-CD1 3.39Å; W177-L233 HydrophobicContact CZ2-CD1 3.98Å; W177-L233 HydrophobicContact CZ3-CD1 3.91Å; M202-L233 HydrophobicContact CB-CD2 4.26Å; M202-L233 HydrophobicContact CE-CB 3.93Å; M202-L233 HydrophobicContact CE-CD1 3.95Å; M202-L233 HydrophobicContact CE-CD2 3.86Å; M202-L233 HydrophobicContact CE-CG 4.13Å; M202-L233 HydrophobicContact SD-CB 4.19Å; M202-L233 HydrophobicContact SD-CD2 4.43Å; T220-L233 CarbonylContact C-O 3.58Å; T220-L233 WeakPolarHBondContact CA-O 3.35Å; I221-L233 HydrophobicContact CB-CB 4.25Å; I221-L233 HydrophobicContact CD1-CD2 4.26Å; I221-L233 PolarHBondContact N-O 2.87Å; I221-L233 PolarHBondContact O-N 3.16Å; L233-I235 HydrophobicContact CD2-CD1 4.45Å; L233-I235 HydrophobicContact CD2-CG1 4.37Å; L233-V306 HydrophobicContact CD1-CG1 3.63Å; L233-V306 HydrophobicContact CD2-CG1 4.27Å; L233-V306 HydrophobicContact CG-CG1 4Å; L233-F308 HydrophobicContact CD1-CB 4.06Å; L233-F308 HydrophobicContact CD1-CD2 4.27Å
234	H	97.8	Very high	92.3	Very high	23 Å²	23	52.3 Å²	52.3	11%	0.106	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.3	175.8	-56.2	-88.3	0	0	0	109.1	Y219 T220 I236 V306 A307 E309 L319	Y219-H234 CarbonylContact O-C 3.56Å; Y219-H234 WeakPolarHBondContact O-CA 3.38Å; T220-H234 PolarHBondContact OG1-ND1 3.17Å; H234-I236 HydrophobicContact CB-CD1 4.45Å; H234-I236 HydrophobicContact CB-CG1 4.35Å; H234-V306 CarbonylContact O-C 3.47Å; H234-V306 WeakPolarHBondContact O-CA 3.41Å; H234-A307 PolarHBondContact CD2-O 3.34Å; H234-A307 PolarHBondContact N-O 2.81Å; H234-A307 PolarHBondContact O-N 2.95Å; H234-E309 IonicContact CD2-OE2 3.48Å; H234-E309 IonicContact CE1-OE2 3.45Å; H234-E309 IonicContact NE2-OE2 3.81Å; H234-E309 PolarHBondContact NE2-OE2 2.83Å; H234-L319 HydrophobicContact CB-CD2 4.21Å; H234-L319 VanDerWaalsContact CD2-CD1 3.49Å; H234-L319 WeakPolarHBondContact CD2-CD1 3.44Å
235	I	97.8	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.3	170.9	-58.3	156.2	0	0	0	106.1	F200 V218 Y219 I221 L233 V294 I304 V306	F200-I235 HydrophobicContact CB-CD1 3.67Å; F200-I235 HydrophobicContact CB-CG1 4.16Å; F200-I235 HydrophobicContact CB-CG2 4.42Å; F200-I235 HydrophobicContact CD2-CG2 3.98Å; F200-I235 HydrophobicContact CE2-CG2 4.5Å; F200-I235 HydrophobicContact CG-CG2 4.13Å; V218-I235 WeakPolarHBondContact CA-O 3.3Å; Y219-I235 PolarHBondContact N-O 2.89Å; Y219-I235 PolarHBondContact O-N 3.1Å; I221-I235 HydrophobicContact CD1-CD1 4.24Å; L233-I235 HydrophobicContact CD2-CD1 4.45Å; L233-I235 HydrophobicContact CD2-CG1 4.37Å; I235-V294 HydrophobicContact CD1-CB 3.99Å; I235-V294 HydrophobicContact CD1-CG2 3.95Å; I235-I304 HydrophobicContact CG2-CG2 4.44Å; I235-V306 HydrophobicContact CG1-CG1 4.38Å; I235-V306 HydrophobicContact CG1-CG2 4.38Å; I235-V306 HydrophobicContact CG2-CG2 4.46Å
236	I	96.5	Very high	92.2	Very high	44 Å²	44	49 Å²	49	23%	0.226	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.3	-172.1	-58.4	163.5	0	0	0	107.5	V218 H234 E305 L319 T321	V218-I236 HydrophobicContact CG1-CG1 4.12Å; V218-I236 HydrophobicContact CG2-CG1 4.32Å; V218-I236 HydrophobicContact CG2-CG2 4.3Å; H234-I236 HydrophobicContact CB-CD1 4.45Å; H234-I236 HydrophobicContact CB-CG1 4.35Å; I236-E305 HydrophobicContact CB-CB 4.43Å; I236-E305 PolarHBondContact N-O 3.42Å; I236-E305 PolarHBondContact O-N 3.43Å; I236-L319 HydrophobicContact CD1-CD2 3.91Å; I236-T321 HydrophobicContact CD1-CG2 3.78Å
237	G	92.2	Very high	92.4	Very high	11 Å²	11	42.7 Å²	42.7	11%	0.113	21%	0.209	C	C	.	.			trans	-88.2	159	177.5	0	0	0	0	0	113.4	N217	N217-G237 PolarHBondContact O-N 3.16Å
238	P	90.4	Very high	92.7	Very high	23 Å²	23	45.3 Å²	45.3	15%	0.149	22%	0.22	C	C	.	.			trans	-71.7	162.3	176.1	35.1	-40.8	0	0	0	111.5	N217 S240 I241 L298 T302	N217-P238 PolarHBondContact ND2-O 2.76Å; P238-S240 PolarHBondContact O-N 3.4Å; P238-S240 VanDerWaalsContact O-N 3.16Å; P238-I241 HydrophobicContact CG-CG1 4.07Å; P238-I241 WeakPolarHBondContact O-CG1 3.37Å; P238-I241 PolarHBondContact O-N 3Å; P238-L298 HydrophobicContact CG-CD2 3.62Å; P238-T302 VanDerWaalsContact CB-OG1 3.24Å; P238-T302 WeakPolarHBondContact CB-OG1 3.36Å; P238-T302 HydrophobicContact CG-CG2 4.26Å; P238-T302 WeakPolarHBondContact CG-OG1 3.43Å
239	Q	86.2	Confident	92.8	Very high	192 Å²	192	46 Å²	46	90%	0.897	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.3	170.9	-69.6	-174	-12.5	0	0	113.6	I241	Q239-I241 VanDerWaalsContact C-N 3.27Å; Q239-I241 PolarHBondContact O-N 3.27Å
240	S	84.3	Confident	92.8	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	6.3	179.7	59.8	0	0	0	0	114.8	P238 R242	P238-S240 PolarHBondContact O-N 3.4Å; P238-S240 VanDerWaalsContact O-N 3.16Å; S240-R242 PolarHBondContact O-N 2.95Å; S240-R242 VanDerWaalsContact O-N 3.1Å
241	I	86	Confident	92.8	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.118	21%	0.207	C	C	.	.			trans	-55	119.7	173	-72.1	165.1	0	0	0	109.4	N217 P238 Q239 V296 L298	N217-I241 HydrophobicContact CB-CD1 4.11Å; P238-I241 HydrophobicContact CG-CG1 4.07Å; P238-I241 WeakPolarHBondContact O-CG1 3.37Å; P238-I241 PolarHBondContact O-N 3Å; Q239-I241 VanDerWaalsContact C-N 3.27Å; Q239-I241 PolarHBondContact O-N 3.27Å; I241-V296 HydrophobicContact CD1-CB 4.36Å; I241-V296 HydrophobicContact CD1-CG1 4.03Å; I241-V296 HydrophobicContact CG1-CB 4.4Å; I241-L298 HydrophobicContact CB-CD2 4.34Å; I241-L298 HydrophobicContact CG1-CD2 3.57Å
242	R	83.9	Confident	92.7	Very high	127 Å²	127	48.7 Å²	48.7	48%	0.479	25%	0.249	S	C	.	.			trans	-76.5	-45.2	174.4	-70.2	-170.2	173.3	175.9	2.4	110.5	S240 F270 T297	S240-R242 PolarHBondContact O-N 2.95Å; S240-R242 VanDerWaalsContact O-N 3.1Å; R242-F270 WeakPolarHBondContact O-CE2 3.45Å; R242-F270 WeakPolarHBondContact O-CZ 3.48Å; R242-T297 PolarHBondContact N-O 3.08Å
243	H	87.6	Confident	92.5	Very high	39 Å²	39	47 Å²	47	18%	0.181	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	143.2	-176.4	-174.9	57.6	0	0	0	110.3	T245 F270 L277 T297	H243-T245 VanDerWaalsContact NE2-CG2 3.3Å; H243-T245 WeakPolarHBondContact NE2-CG2 3.35Å; H243-F270 HydrophobicContact CB-CD2 4.18Å; H243-F270 HydrophobicContact CB-CE2 4.27Å; H243-L277 HydrophobicContact CB-CD1 3.8Å; H243-T297 WeakPolarHBondContact O-CB 3.43Å; H243-T297 PolarHBondContact O-N 2.98Å; H243-T297 PolarHBondContact O-OG1 2.86Å
244	S	92.8	Very high	92.4	Very high	32 Å²	32	47.5 Å²	47.5	22%	0.224	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.6	175.5	53.2	0	0	0	0	110.9	Y219 Q295	Y219-S244 WeakPolarHBondContact OH-CB 3.49Å; Y219-S244 PolarHBondContact OH-OG 3.26Å; S244-Q295 CarbonylContact C-O 3.5Å; S244-Q295 WeakPolarHBondContact CA-O 3.37Å; S244-Q295 WeakPolarHBondContact CB-O 3.48Å
245	T	94.2	Very high	92.2	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.08	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.1	178.4	48.3	0	0	0	0	108.8	H243 F268 L280 Q295	H243-T245 VanDerWaalsContact NE2-CG2 3.3Å; H243-T245 WeakPolarHBondContact NE2-CG2 3.35Å; T245-F268 HydrophobicContact CG2-CE2 4.24Å; T245-F268 HydrophobicContact CG2-CZ 4.37Å; T245-L280 VanDerWaalsContact CB-O 3.27Å; T245-L280 WeakPolarHBondContact CB-O 3.41Å; T245-L280 PolarHBondContact OG1-N 3.5Å; T245-Q295 PolarHBondContact N-O 3.15Å; T245-Q295 PolarHBondContact O-N 3.21Å; T245-Q295 WeakPolarHBondContact OG1-CB 3.32Å
246	H	94.7	Very high	92.1	Very high	29 Å²	29	48.6 Å²	48.6	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162	177.6	68.1	-84.6	0	0	0	110.4	L212 E282 A293 V294	L212-H246 HydrophobicContact CD2-CB 3.82Å; L212-H246 WeakPolarHBondContact CD2-CD2 3.35Å; L212-H246 VanDerWaalsContact CD2-CG 3.49Å; H246-E282 IonicContact CE1-OE1 2.95Å; H246-E282 IonicContact NE2-OE1 3.4Å; H246-A293 CarbonylContact C-O 3.53Å; H246-A293 WeakPolarHBondContact CA-O 3.38Å; H246-A293 WeakPolarHBondContact CB-O 3.22Å; H246-V294 HydrophobicContact CB-CG2 4.21Å
247	I	95.5	Very high	92.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.1	176.3	-163.6	170.2	0	0	0	111	L249 I261 H264 L280 A281 F291 I292 A293	I247-L249 HydrophobicContact CD1-CD1 4.07Å; I247-L249 HydrophobicContact CD1-CD2 3.8Å; I247-L249 HydrophobicContact CD1-CG 4Å; I247-L249 HydrophobicContact CG1-CD1 4.46Å; I247-L249 HydrophobicContact CG1-CD2 3.95Å; I247-L249 HydrophobicContact CG1-CG 3.96Å; I247-I261 HydrophobicContact CG2-CD1 4.47Å; I247-H264 HydrophobicContact CD1-CB 3.24Å; I247-H264 VanDerWaalsContact CD1-CD2 3.48Å; I247-H264 WeakPolarHBondContact CD1-CD2 3.46Å; I247-L280 HydrophobicContact CB-CB 4.28Å; I247-L280 HydrophobicContact CG2-CD1 3.99Å; I247-A281 WeakPolarHBondContact CD1-O 3.43Å; I247-A281 WeakPolarHBondContact CG1-O 3.46Å; I247-F291 HydrophobicContact CG2-CE1 4.36Å; I247-I292 WeakPolarHBondContact O-CA 3.22Å; I247-A293 HydrophobicContact CG2-CB 3.92Å; I247-A293 PolarHBondContact N-O 2.7Å; I247-A293 PolarHBondContact O-N 2.99Å
248	K	95.5	Very high	92.2	Very high	74 Å²	74	47.3 Å²	47.3	32%	0.322	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.5	179.2	-68	171.5	-174.1	165.8	0	108	S283 T289 F291 I292	K248-S283 PolarHBondContact O-OG 3.2Å; K248-T289 HydrophobicContact CB-CG2 3.65Å; K248-T289 HydrophobicContact CG-CG2 4.15Å; K248-F291 WeakPolarHBondContact CA-O 3.4Å; K248-I292 HydrophobicContact CG-CD1 4.34Å; K248-I292 HydrophobicContact CG-CG1 4.26Å
249	L	95.2	Very high	92.4	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.6	-177	-59.6	175.3	0	0	0	111.4	I247 L251 E260 T289 N290 F291	I247-L249 HydrophobicContact CD1-CD1 4.07Å; I247-L249 HydrophobicContact CD1-CD2 3.8Å; I247-L249 HydrophobicContact CD1-CG 4Å; I247-L249 HydrophobicContact CG1-CD1 4.46Å; I247-L249 HydrophobicContact CG1-CD2 3.95Å; I247-L249 HydrophobicContact CG1-CG 3.96Å; L249-L251 HydrophobicContact CB-CD2 3.99Å; L249-L251 HydrophobicContact CB-CG 4.2Å; L249-L251 HydrophobicContact CD1-CD2 4.09Å; L249-E260 HydrophobicContact CD1-CB 4.44Å; L249-T289 WeakPolarHBondContact O-CA 3.49Å; L249-N290 PolarHBondContact O-N 2.92Å; L249-N290 VanDerWaalsContact O-N 3.13Å; L249-N290 PolarHBondContact O-OD1 2.89Å; L249-F291 HydrophobicContact CB-CB 4.31Å; L249-F291 HydrophobicContact CB-CD1 3.94Å; L249-F291 HydrophobicContact CD1-CD1 4.07Å; L249-F291 HydrophobicContact CD1-CE1 4.25Å; L249-F291 HydrophobicContact CG-CD1 4.22Å; L249-F291 PolarHBondContact N-O 3.45Å; L249-F291 PolarHBondContact O-N 2.91Å
250	R	94.3	Very high	92.8	Very high	120 Å²	120	43 Å²	43	45%	0.453	23%	0.228	S	C	.	.			trans	-101.6	112	159.2	179.5	74.2	-170.7	-177.2	-4.7	108.5	G207 N288 N290	G207-R250 VanDerWaalsContact C-NH1 3.35Å; G207-R250 VanDerWaalsContact CA-NH1 3.28Å; G207-R250 VanDerWaalsContact CA-NH2 3.26Å; G207-R250 PolarHBondContact O-NH1 2.98Å; R250-N288 WeakPolarHBondContact CD-O 3.07Å; R250-N288 PolarHBondContact NH1-O 3.19Å; R250-N290 VanDerWaalsContact CA-OD1 3.3Å; R250-N290 WeakPolarHBondContact CA-OD1 3.34Å
251	L	94.3	Very high	93.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	21%	0.208	C	C	.	.			trans	-110.2	136.2	176	-59.5	-170.1	0	0	0	110.9	M203 L249 I257 E260 N290 F291	M203-L251 HydrophobicContact CE-CB 4.21Å; M203-L251 HydrophobicContact SD-CB 4.43Å; L249-L251 HydrophobicContact CB-CD2 3.99Å; L249-L251 HydrophobicContact CB-CG 4.2Å; L249-L251 HydrophobicContact CD1-CD2 4.09Å; L251-I257 HydrophobicContact CD1-CG1 3.88Å; L251-E260 HydrophobicContact CD2-CB 4.04Å; L251-E260 HydrophobicContact CD2-CG 3.71Å; L251-N290 PolarHBondContact N-OD1 2.87Å; L251-N290 PolarHBondContact O-ND2 2.87Å; L251-F291 HydrophobicContact CB-CB 4.35Å; L251-F291 HydrophobicContact CD1-CB 3.9Å; L251-F291 HydrophobicContact CD1-CD1 3.95Å; L251-F291 HydrophobicContact CD1-CD2 3.49Å; L251-F291 VanDerWaalsContact CD1-CD2 3.49Å; L251-F291 HydrophobicContact CD1-CE1 4.33Å; L251-F291 HydrophobicContact CD1-CE2 3.93Å; L251-F291 HydrophobicContact CD1-CG 3.49Å; L251-F291 VanDerWaalsContact CD1-CG 3.49Å; L251-F291 HydrophobicContact CD1-CZ 4.32Å; L251-F291 HydrophobicContact CG-CB 3.77Å; L251-F291 HydrophobicContact CG-CD1 4.36Å; L251-F291 HydrophobicContact CG-CD2 4.32Å; L251-F291 HydrophobicContact CG-CG 3.9Å
252	A	92.6	Very high	93.7	Very high	109 Å²	109	41.6 Å²	41.6	90%	0.901	22%	0.216	S	C	*	.	S	Bend	trans	-86.5	-27.4	175.5	0	0	0	0	0	112.6
253	D	93.9	Very high	94.2	Very high	43 Å²	43	41 Å²	41	23%	0.23	22%	0.216	C	C	.	.			trans	-143.3	124.6	-171.1	-175.4	1.3	0	0	0	111.9	A255 T256 T453	D253-A255 PolarHBondContact O-N 2.81Å; D253-A255 WeakPolarHBondContact OD1-CB 3.37Å; D253-A255 PolarHBondContact OD1-N 2.87Å; D253-T256 HydrophobicContact CB-CG2 4.15Å; D253-T256 PolarHBondContact O-N 3Å; D253-T256 PolarHBondContact O-OG1 3.38Å; D253-T453 VanDerWaalsContact CG-OG1 3.3Å; D253-T453 WeakPolarHBondContact OD1-CB 3.22Å; D253-T453 PolarHBondContact OD1-OG1 2.82Å; D253-T453 VanDerWaalsContact OD2-CB 3.23Å; D253-T453 WeakPolarHBondContact OD2-CB 3.44Å; D253-T453 VanDerWaalsContact OD2-CG2 3.29Å; D253-T453 WeakPolarHBondContact OD2-CG2 3.16Å; D253-T453 PolarHBondContact OD2-OG1 3.38Å
254	A	94.5	Very high	94.5	Very high	10 Å²	10	41.3 Å²	41.3	8%	0.083	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.2	177.2	0	0	0	0	0	113.2	L107 M203 T256 I257 E454	L107-A254 HydrophobicContact CD1-CB 3.68Å; M203-A254 HydrophobicContact CE-CB 4.32Å; M203-A254 HydrophobicContact SD-CB 3.79Å; A254-T256 PolarHBondContact O-N 3.33Å; A254-I257 HydrophobicContact CB-CD1 4.16Å; A254-I257 VanDerWaalsContact O-CD1 3.3Å; A254-I257 WeakPolarHBondContact O-CD1 3.35Å; A254-I257 VanDerWaalsContact O-CG1 3.22Å; A254-I257 WeakPolarHBondContact O-CG1 3.18Å; A254-E454 HydrophobicContact CB-CG 4.5Å
255	A	94.4	Very high	94.5	Very high	7 Å²	7	40.4 Å²	40.4	6%	0.058	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-70.4	-14.7	177.9	0	0	0	0	0	113.5	D253 E454 R457	D253-A255 PolarHBondContact O-N 2.81Å; D253-A255 WeakPolarHBondContact OD1-CB 3.37Å; D253-A255 PolarHBondContact OD1-N 2.87Å; A255-E454 HydrophobicContact CB-CG 4.15Å; A255-R457 PolarHBondContact O-NH1 3.11Å
256	T	95.1	Very high	94.3	Very high	40 Å²	40	46 Å²	46	25%	0.245	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-100	0.3	-175.9	65.4	0	0	0	0	114.1	D253 A254 D258 E259 E260	D253-T256 HydrophobicContact CB-CG2 4.15Å; D253-T256 PolarHBondContact O-N 3Å; D253-T256 PolarHBondContact O-OG1 3.38Å; A254-T256 PolarHBondContact O-N 3.33Å; T256-D258 VanDerWaalsContact C-N 3.32Å; T256-D258 PolarHBondContact O-N 3.03Å; T256-E259 PolarHBondContact O-N 3.36Å; T256-E259 VanDerWaalsContact O-N 3.12Å; T256-E260 WeakPolarHBondContact O-CG 3.45Å; T256-E260 PolarHBondContact O-N 3.42Å
257	I	96.4	Very high	94.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-42	-169.7	-65.4	169.9	0	0	0	112.3	M111 Y201 M203 L251 A254 E260 I261 F291	M111-I257 HydrophobicContact CE-CB 4.34Å; M111-I257 HydrophobicContact CE-CG2 3.42Å; M111-I257 VanDerWaalsContact CE-CG2 3.42Å; Y201-I257 HydrophobicContact CD1-CG2 4.44Å; Y201-I257 HydrophobicContact CD2-CD1 4.31Å; Y201-I257 HydrophobicContact CE1-CG2 4.34Å; Y201-I257 HydrophobicContact CE2-CD1 3.73Å; M203-I257 HydrophobicContact SD-CD1 4.07Å; M203-I257 HydrophobicContact SD-CG1 4.47Å; L251-I257 HydrophobicContact CD1-CG1 3.88Å; A254-I257 HydrophobicContact CB-CD1 4.16Å; A254-I257 VanDerWaalsContact O-CD1 3.3Å; A254-I257 WeakPolarHBondContact O-CD1 3.35Å; A254-I257 VanDerWaalsContact O-CG1 3.22Å; A254-I257 WeakPolarHBondContact O-CG1 3.18Å; I257-E260 PolarHBondContact O-N 2.71Å; I257-I261 HydrophobicContact CG2-CG1 4.24Å; I257-I261 WeakPolarHBondContact O-CB 3.38Å; I257-I261 VanDerWaalsContact O-CG1 3.23Å; I257-I261 WeakPolarHBondContact O-CG1 3.28Å; I257-I261 PolarHBondContact O-N 3.31Å; I257-F291 HydrophobicContact CB-CE2 4.49Å; I257-F291 HydrophobicContact CD1-CE2 4.15Å; I257-F291 HydrophobicContact CG1-CE2 4.11Å; I257-F291 HydrophobicContact CG2-CE2 3.55Å; I257-F291 HydrophobicContact CG2-CZ 3.66Å
258	D	94.1	Very high	93.6	Very high	28 Å²	28	51.4 Å²	51.4	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-44.5	178.1	58	-30.8	0	0	0	112.3	T256 I261 L262 R457	T256-D258 VanDerWaalsContact C-N 3.32Å; T256-D258 PolarHBondContact O-N 3.03Å; D258-I261 PolarHBondContact O-N 3.42Å; D258-L262 VanDerWaalsContact O-CG 3.29Å; D258-L262 WeakPolarHBondContact O-CG 3.43Å; D258-L262 PolarHBondContact O-N 3.32Å; D258-R457 IonicContact OD1-CZ 3.58Å; D258-R457 IonicContact OD1-NH1 3.27Å; D258-R457 PolarHBondContact OD1-NH1 3.33Å; D258-R457 IonicContact OD1-NH2 3.57Å; D258-R457 PolarHBondContact OD1-NH2 3.12Å; D258-R457 IonicContact OD2-CZ 3.9Å; D258-R457 IonicContact OD2-NH1 3.82Å; D258-R457 PolarHBondContact OD2-NH1 3.42Å; D258-R457 IonicContact OD2-NH2 3.62Å; D258-R457 PolarHBondContact OD2-NH2 2.81Å
259	E	94.5	Very high	93	Very high	85 Å²	85	53.6 Å²	53.6	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-41.4	176.4	-66.5	170.3	-159	0	0	111.4	T256 L262 K263 R457	T256-E259 PolarHBondContact O-N 3.36Å; T256-E259 VanDerWaalsContact O-N 3.12Å; E259-L262 PolarHBondContact O-N 3.21Å; E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.26Å; E259-K263 PolarHBondContact O-N 3.23Å; E259-K263 VanDerWaalsContact O-N 3.07Å; E259-R457 IonicContact OE1-CZ 3.6Å; E259-R457 IonicContact OE1-NH2 2.84Å; E259-R457 PolarHBondContact OE1-NH2 3.41Å
260	E	94.8	Very high	91.9	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-39.9	177	-68.9	-59.2	138.8	0	0	112.3	L249 L251 T256 I257 K263 H264	L249-E260 HydrophobicContact CD1-CB 4.44Å; L251-E260 HydrophobicContact CD2-CB 4.04Å; L251-E260 HydrophobicContact CD2-CG 3.71Å; T256-E260 WeakPolarHBondContact O-CG 3.45Å; T256-E260 PolarHBondContact O-N 3.42Å; I257-E260 PolarHBondContact O-N 2.71Å; E260-K263 PolarHBondContact O-N 3.16Å; E260-K263 IonicContact OE1-NZ 3.68Å; E260-K263 PolarHBondContact OE1-NZ 3.27Å; E260-H264 PolarHBondContact O-N 3.44Å; E260-H264 PolarHBondContact O-ND1 3.06Å; E260-H264 IonicContact OE2-CE1 3.44Å
261	I	95.6	Very high	90.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-49.6	172.9	-73.9	-66.8	0	0	0	110.3	M111 I126 I199 I247 I257 D258 K263 H264 M265 L280 F291 A293	M111-I261 HydrophobicContact CE-CG1 4.15Å; M111-I261 HydrophobicContact SD-CG1 4.22Å; M111-I261 HydrophobicContact SD-CG2 4.41Å; I126-I261 HydrophobicContact CD1-CG2 3.88Å; I199-I261 HydrophobicContact CD1-CG2 3.69Å; I199-I261 HydrophobicContact CG2-CD1 4.32Å; I247-I261 HydrophobicContact CG2-CD1 4.47Å; I257-I261 HydrophobicContact CG2-CG1 4.24Å; I257-I261 WeakPolarHBondContact O-CB 3.38Å; I257-I261 VanDerWaalsContact O-CG1 3.23Å; I257-I261 WeakPolarHBondContact O-CG1 3.28Å; I257-I261 PolarHBondContact O-N 3.31Å; D258-I261 PolarHBondContact O-N 3.42Å; I261-K263 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 3.17Å; I261-H264 PolarHBondContact O-N 3.16Å; I261-H264 VanDerWaalsContact O-N 3.09Å; I261-M265 WeakPolarHBondContact O-CG 3.32Å; I261-M265 PolarHBondContact O-N 2.74Å; I261-L280 HydrophobicContact CD1-CD1 4.43Å; I261-L280 HydrophobicContact CD1-CD2 4.04Å; I261-L280 HydrophobicContact CG2-CD2 4.08Å; I261-F291 HydrophobicContact CD1-CE1 4.12Å; I261-F291 HydrophobicContact CD1-CZ 4.08Å; I261-F291 HydrophobicContact CG1-CZ 4.46Å; I261-A293 HydrophobicContact CD1-CB 3.83Å
262	L	94.4	Very high	88.7	Confident	54 Å²	54	60 Å²	60	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-40	-179.5	-73.1	169.9	0	0	0	112.8	M123 P124 I126 D258 E259 H264 M265	M123-L262 HydrophobicContact CE-CB 4.44Å; M123-L262 HydrophobicContact CE-CD2 4.01Å; P124-L262 HydrophobicContact CG-CD2 4Å; I126-L262 HydrophobicContact CD1-CD2 3.54Å; I126-L262 HydrophobicContact CD1-CG 4.05Å; I126-L262 HydrophobicContact CG1-CD2 4.15Å; D258-L262 VanDerWaalsContact O-CG 3.29Å; D258-L262 WeakPolarHBondContact O-CG 3.43Å; D258-L262 PolarHBondContact O-N 3.32Å; E259-L262 PolarHBondContact O-N 3.21Å; L262-H264 PolarHBondContact O-N 3.26Å; L262-M265 HydrophobicContact CD2-SD 3.95Å; L262-M265 PolarHBondContact O-N 2.93Å
263	K	93	Very high	87.3	Confident	113 Å²	113	56.9 Å²	56.9	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-30.6	177.4	-73.3	169.4	-165.7	172.3	0	113.1	E259 E260 I261 R266	E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.26Å; E259-K263 PolarHBondContact O-N 3.23Å; E259-K263 VanDerWaalsContact O-N 3.07Å; E260-K263 PolarHBondContact O-N 3.16Å; E260-K263 IonicContact OE1-NZ 3.68Å; E260-K263 PolarHBondContact OE1-NZ 3.27Å; I261-K263 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 3.17Å; K263-R266 PolarHBondContact O-NH1 3.11Å
264	H	93.9	Very high	86.1	Confident	47 Å²	47	60.6 Å²	60.6	22%	0.218	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	7.9	-175.3	-63.6	90	0	0	0	114.1	I247 E260 I261 L262 A281	I247-H264 HydrophobicContact CD1-CB 3.24Å; I247-H264 VanDerWaalsContact CD1-CD2 3.48Å; I247-H264 WeakPolarHBondContact CD1-CD2 3.46Å; E260-H264 PolarHBondContact O-N 3.44Å; E260-H264 PolarHBondContact O-ND1 3.06Å; E260-H264 IonicContact OE2-CE1 3.44Å; I261-H264 PolarHBondContact O-N 3.16Å; I261-H264 VanDerWaalsContact O-N 3.09Å; L262-H264 PolarHBondContact O-N 3.26Å; H264-A281 PolarHBondContact O-N 3.21Å
265	M	93.1	Very high	85.3	Confident	13 Å²	13	62.9 Å²	62.9	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.6	175.7	-55.7	-168.5	86.4	0	0	111.4	Y113 P124 I126 I261 L262 L278 G279 L280	Y113-M265 HydrophobicContact CD1-CE 4.4Å; Y113-M265 HydrophobicContact CE1-CE 3.51Å; Y113-M265 HydrophobicContact CE2-CE 4.1Å; Y113-M265 WeakPolarHBondContact OH-CE 3.49Å; P124-M265 HydrophobicContact CG-CE 3.88Å; P124-M265 HydrophobicContact CG-SD 3.46Å; P124-M265 WeakPolarHBondContact CG-SD 3.25Å; I126-M265 HydrophobicContact CD1-CE 4.45Å; I126-M265 HydrophobicContact CD1-SD 3.87Å; I261-M265 WeakPolarHBondContact O-CG 3.32Å; I261-M265 PolarHBondContact O-N 2.74Å; L262-M265 HydrophobicContact CD2-SD 3.95Å; L262-M265 PolarHBondContact O-N 2.93Å; M265-L278 HydrophobicContact CB-CD1 4.02Å; M265-L278 HydrophobicContact CB-CD2 4.26Å; M265-L278 HydrophobicContact CB-CG 4.1Å; M265-L278 HydrophobicContact CE-CD2 3.4Å; M265-L278 HydrophobicContact CE-CG 3.77Å; M265-L278 HydrophobicContact SD-CD2 3.87Å; M265-L278 HydrophobicContact SD-CG 4.5Å; M265-G279 CarbonylContact C-O 3.59Å; M265-G279 VanDerWaalsContact CA-O 3.27Å; M265-G279 WeakPolarHBondContact CA-O 3.45Å; M265-L280 HydrophobicContact CG-CD2 4.44Å
266	R	91.7	Very high	84.8	Confident	130 Å²	130	66.3 Å²	66.3	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.4	176.6	-63.2	-63.8	179.9	-85.2	-4.6	110.5	K263 F268 L278 G279 A281	K263-R266 PolarHBondContact O-NH1 3.11Å; R266-F268 HydrophobicContact CB-CE2 4.04Å; R266-F268 HydrophobicContact CB-CZ 4.32Å; R266-F268 VanDerWaalsContact O-CD2 3.29Å; R266-F268 WeakPolarHBondContact O-CD2 3.33Å; R266-F268 WeakPolarHBondContact O-CE2 3.41Å; R266-L278 CarbonylContact O-C 3.52Å; R266-L278 WeakPolarHBondContact O-CA 3.45Å; R266-G279 PolarHBondContact N-O 3.22Å; R266-G279 PolarHBondContact O-N 3.28Å; R266-A281 HydrophobicContact CB-CB 4.06Å; R266-A281 HydrophobicContact CG-CB 3.48Å; R266-A281 VanDerWaalsContact CG-CB 3.48Å
267	I	89	Confident	84.5	Confident	80 Å²	80	64.7 Å²	64.7	41%	0.41	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	176.9	-60.7	170.2	0	0	0	108.9	V121 M276 L277 L278	V121-I267 HydrophobicContact CB-CD1 4.18Å; V121-I267 HydrophobicContact CG1-CD1 3.79Å; V121-I267 HydrophobicContact CG2-CD1 3.42Å; V121-I267 VanDerWaalsContact CG2-CD1 3.42Å; I267-M276 HydrophobicContact CG2-CB 3.7Å; I267-M276 HydrophobicContact CG2-CG 4.19Å; I267-M276 HydrophobicContact CG2-SD 4.03Å; I267-L277 WeakPolarHBondContact CA-O 3.21Å; I267-L278 HydrophobicContact CG1-CD1 4.07Å
268	F	86.2	Confident	84.2	Confident	64 Å²	64	66 Å²	66	28%	0.281	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.2	176.3	-63.9	-91.9	0	0	0	109.7	T245 R266 M276 L277 A281	T245-F268 HydrophobicContact CG2-CE2 4.24Å; T245-F268 HydrophobicContact CG2-CZ 4.37Å; R266-F268 HydrophobicContact CB-CE2 4.04Å; R266-F268 HydrophobicContact CB-CZ 4.32Å; R266-F268 VanDerWaalsContact O-CD2 3.29Å; R266-F268 WeakPolarHBondContact O-CD2 3.33Å; R266-F268 WeakPolarHBondContact O-CE2 3.41Å; F268-M276 WeakPolarHBondContact O-CA 3.26Å; F268-L277 PolarHBondContact N-O 2.93Å; F268-L277 PolarHBondContact O-N 3.06Å; F268-A281 HydrophobicContact CZ-CB 4.37Å
269	K	81.3	Confident	84.2	Confident	121 Å²	121	64.7 Å²	64.7	53%	0.526	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.8	169.4	-173.2	170	-175.5	160.8	0	109	S273 D274 M276	K269-S273 VanDerWaalsContact CE-O 3.26Å; K269-S273 WeakPolarHBondContact CE-O 3.2Å; K269-D274 IonicContact NZ-OD1 3.58Å; K269-D274 PolarHBondContact NZ-OD1 2.74Å; K269-M276 HydrophobicContact CB-CE 4.19Å; K269-M276 HydrophobicContact CB-SD 3.83Å; K269-M276 HydrophobicContact CD-CE 4.17Å; K269-M276 HydrophobicContact CG-CE 4.14Å; K269-M276 HydrophobicContact CG-SD 4.16Å
270	F	72.1	Confident	84.1	Confident	67 Å²	67	60.7 Å²	60.7	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.3	-177.3	-176.4	-106.2	0	0	0	112.3	R242 H243 S273 V275 L277	R242-F270 WeakPolarHBondContact O-CE2 3.45Å; R242-F270 WeakPolarHBondContact O-CZ 3.48Å; H243-F270 HydrophobicContact CB-CD2 4.18Å; H243-F270 HydrophobicContact CB-CE2 4.27Å; F270-S273 PolarHBondContact O-OG 3.27Å; F270-V275 PolarHBondContact N-O 2.94Å; F270-L277 HydrophobicContact CB-CD1 4.04Å; F270-L277 HydrophobicContact CB-CG 4.36Å; F270-L277 HydrophobicContact CD2-CD1 4.38Å; F270-L277 HydrophobicContact CG-CD1 4.09Å
271	S	63.7	Low	83.9	Confident	86 Å²	86	59.8 Å²	59.8	60%	0.601	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-164.9	178.3	-166.6	0	0	0	0	113.5	S273	S271-S273 PolarHBondContact O-N 3.36Å
272	S	59.4	Low	83	Confident	122 Å²	122	67 Å²	67	85%	0.853	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-5.1	170.8	54.8	0	0	0	0	113.6
273	S	61.9	Low	82	Confident	45 Å²	45	66 Å²	66	32%	0.315	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	154.1	177.2	63	0	0	0	0	112.6	K269 F270 S271 V275	K269-S273 VanDerWaalsContact CE-O 3.26Å; K269-S273 WeakPolarHBondContact CE-O 3.2Å; F270-S273 PolarHBondContact O-OG 3.27Å; S271-S273 PolarHBondContact O-N 3.36Å; S273-V275 PolarHBondContact O-N 3.1Å; S273-V275 VanDerWaalsContact O-N 3.08Å
274	D	69.6	Low	81	Confident	121 Å²	121	68.8 Å²	68.8	65%	0.647	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	22.4	171.8	-71.6	-33.3	0	0	0	113.3	S118 K269 M276	S118-D274 PolarHBondContact OG-O 3.47Å; S118-D274 VanDerWaalsContact OG-O 3.1Å; K269-D274 IonicContact NZ-OD1 3.58Å; K269-D274 PolarHBondContact NZ-OD1 2.74Å; D274-M276 PolarHBondContact O-N 3.15Å
275	V	77.6	Confident	79.7	Confident	58 Å²	58	73 Å²	73	35%	0.352	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.1	176.9	-177.7	0	0	0	0	109.2	F270 S273 L277	F270-V275 PolarHBondContact N-O 2.94Å; S273-V275 PolarHBondContact O-N 3.1Å; S273-V275 VanDerWaalsContact O-N 3.08Å; V275-L277 HydrophobicContact CG1-CD2 4.12Å; V275-L277 HydrophobicContact CG1-CG 4.26Å
276	M	84.8	Confident	78.6	Confident	78 Å²	78	75 Å²	75	38%	0.384	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.3	175.3	-65	-64.3	-178.9	0	0	109.1	I267 F268 K269 D274	I267-M276 HydrophobicContact CG2-CB 3.7Å; I267-M276 HydrophobicContact CG2-CG 4.19Å; I267-M276 HydrophobicContact CG2-SD 4.03Å; F268-M276 WeakPolarHBondContact O-CA 3.26Å; K269-M276 HydrophobicContact CB-CE 4.19Å; K269-M276 HydrophobicContact CB-SD 3.83Å; K269-M276 HydrophobicContact CD-CE 4.17Å; K269-M276 HydrophobicContact CG-CE 4.14Å; K269-M276 HydrophobicContact CG-SD 4.16Å; D274-M276 PolarHBondContact O-N 3.15Å
277	L	87.7	Confident	77.7	Confident	6 Å²	6	77.3 Å²	77.3	3%	0.031	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.1	178.8	-64.1	177.3	0	0	0	110.4	Q115 P195 H243 I267 F268 F270 V275 T297	Q115-L277 HydrophobicContact CG-CD2 4.4Å; P195-L277 HydrophobicContact CG-CD2 3.96Å; H243-L277 HydrophobicContact CB-CD1 3.8Å; I267-L277 WeakPolarHBondContact CA-O 3.21Å; F268-L277 PolarHBondContact N-O 2.93Å; F268-L277 PolarHBondContact O-N 3.06Å; F270-L277 HydrophobicContact CB-CD1 4.04Å; F270-L277 HydrophobicContact CB-CG 4.36Å; F270-L277 HydrophobicContact CD2-CD1 4.38Å; F270-L277 HydrophobicContact CG-CD1 4.09Å; V275-L277 HydrophobicContact CG1-CD2 4.12Å; V275-L277 HydrophobicContact CG1-CG 4.26Å; L277-T297 HydrophobicContact CD1-CG2 4.39Å
278	L	91	Very high	77.7	Confident	28 Å²	28	78 Å²	78	15%	0.147	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.1	171.6	-165.8	71.4	0	0	0	109.7	Y113 Q115 P124 M265 R266 I267 Q295	Y113-L278 HydrophobicContact CE2-CB 4.36Å; Y113-L278 HydrophobicContact CE2-CD2 4.1Å; Y113-L278 PolarHBondContact OH-O 3.49Å; Q115-L278 PolarHBondContact NE2-O 3.43Å; P124-L278 HydrophobicContact CB-CD2 4.05Å; P124-L278 HydrophobicContact CG-CD2 3.5Å; P124-L278 VanDerWaalsContact CG-CD2 3.5Å; M265-L278 HydrophobicContact CB-CD1 4.02Å; M265-L278 HydrophobicContact CB-CD2 4.26Å; M265-L278 HydrophobicContact CB-CG 4.1Å; M265-L278 HydrophobicContact CE-CD2 3.4Å; M265-L278 HydrophobicContact CE-CG 3.77Å; M265-L278 HydrophobicContact SD-CD2 3.87Å; M265-L278 HydrophobicContact SD-CG 4.5Å; R266-L278 CarbonylContact O-C 3.52Å; R266-L278 WeakPolarHBondContact O-CA 3.45Å; I267-L278 HydrophobicContact CG1-CD1 4.07Å; L278-Q295 PolarHBondContact O-NE2 2.85Å
279	G	92.7	Very high	78.2	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	173.1	-178.8	0	0	0	0	0	112.6	M265 R266	M265-G279 CarbonylContact C-O 3.59Å; M265-G279 VanDerWaalsContact CA-O 3.27Å; M265-G279 WeakPolarHBondContact CA-O 3.45Å; R266-G279 PolarHBondContact N-O 3.22Å; R266-G279 PolarHBondContact O-N 3.28Å
280	L	93.9	Very high	78.9	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.7	173.9	-59.3	174.8	0	0	0	109.2	I199 T245 I247 I261 M265 A293 Q295	I199-L280 HydrophobicContact CD1-CD2 4.33Å; I199-L280 HydrophobicContact CG2-CD1 4.26Å; T245-L280 VanDerWaalsContact CB-O 3.27Å; T245-L280 WeakPolarHBondContact CB-O 3.41Å; T245-L280 PolarHBondContact OG1-N 3.5Å; I247-L280 HydrophobicContact CB-CB 4.28Å; I247-L280 HydrophobicContact CG2-CD1 3.99Å; I261-L280 HydrophobicContact CD1-CD1 4.43Å; I261-L280 HydrophobicContact CD1-CD2 4.04Å; I261-L280 HydrophobicContact CG2-CD2 4.08Å; M265-L280 HydrophobicContact CG-CD2 4.44Å; L280-A293 HydrophobicContact CD1-CB 4.12Å; L280-Q295 HydrophobicContact CD1-CB 3.85Å; L280-Q295 HydrophobicContact CG-CB 4.03Å
281	A	90.1	Very high	80.1	Confident	20 Å²	20	66.6 Å²	66.6	17%	0.165	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-82.6	140.2	173	0	0	0	0	0	111.2	I247 H264 R266 F268 S283	I247-A281 WeakPolarHBondContact CD1-O 3.43Å; I247-A281 WeakPolarHBondContact CG1-O 3.46Å; H264-A281 PolarHBondContact O-N 3.21Å; R266-A281 HydrophobicContact CB-CB 4.06Å; R266-A281 HydrophobicContact CG-CB 3.48Å; R266-A281 VanDerWaalsContact CG-CB 3.48Å; F268-A281 HydrophobicContact CZ-CB 4.37Å; A281-S283 PolarHBondContact O-N 3.48Å
282	E	77	Confident	81.7	Confident	151 Å²	151	62.5 Å²	62.5	71%	0.706	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-58.8	128.4	170	-70.2	-175.3	173.6	0	0	109.5	H246	H246-E282 IonicContact CE1-OE1 2.95Å; H246-E282 IonicContact NE2-OE1 3.4Å
283	S	73.3	Confident	83.5	Confident	34 Å²	34	56.7 Å²	56.7	24%	0.238	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.6	159.3	167.8	43.1	0	0	0	0	109.9	K248 A281	K248-S283 PolarHBondContact O-OG 3.2Å; A281-S283 PolarHBondContact O-N 3.48Å
284	E	71.8	Confident	85.2	Confident	171 Å²	171	54.6 Å²	54.6	80%	0.799	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-54.4	146.5	168.2	-71.2	-173.1	175.5	0	0	110.5	T286	E284-T286 PolarHBondContact O-N 2.69Å
285	P	66.1	Low	86.5	Confident	135 Å²	135	48.8 Å²	48.8	88%	0.877	26%	0.26	S	S	*	.			trans	-56	109.5	-179.8	-21.6	30.9	0	0	0	111.5
286	T	69.2	Low	87.3	Confident	56 Å²	56	46.1 Å²	46.1	34%	0.344	24%	0.244	S	C	.	.			trans	-89.9	116.2	170.9	43.6	0	0	0	0	110.1	E284 N288 T289	E284-T286 PolarHBondContact O-N 2.69Å; T286-N288 PolarHBondContact O-N 2.97Å; T286-N288 VanDerWaalsContact O-N 3.08Å; T286-T289 PolarHBondContact O-N 2.93Å; T286-T289 PolarHBondContact O-OG1 2.8Å; T286-T289 PolarHBondContact OG1-OG1 3.36Å
287	E	73.9	Confident	87.7	Confident	179 Å²	179	42.4 Å²	42.4	84%	0.836	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.8	176.7	-70	-171.5	160.7	0	0	112.7
288	N	89.5	Confident	87.7	Confident	95 Å²	95	42.2 Å²	42.2	51%	0.508	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	43.4	-174.4	-63.5	-33	0	0	0	113.6	R250 T286 N290	R250-N288 WeakPolarHBondContact CD-O 3.07Å; R250-N288 PolarHBondContact NH1-O 3.19Å; T286-N288 PolarHBondContact O-N 2.97Å; T286-N288 VanDerWaalsContact O-N 3.08Å; N288-N290 PolarHBondContact O-N 3.07Å; N288-N290 VanDerWaalsContact O-N 3.13Å
289	T	95.1	Very high	87.1	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.055	23%	0.23	C	C	.	.			trans	-61.5	111.8	-179.7	-60.4	0	0	0	0	111.1	I209 L210 K248 L249 T286 F291 I292	I209-T289 CarbonylContact C-O 3.59Å; I209-T289 WeakPolarHBondContact CA-O 3.28Å; L210-T289 PolarHBondContact N-O 3.07Å; K248-T289 HydrophobicContact CB-CG2 3.65Å; K248-T289 HydrophobicContact CG-CG2 4.15Å; L249-T289 WeakPolarHBondContact O-CA 3.49Å; T286-T289 PolarHBondContact O-N 2.93Å; T286-T289 PolarHBondContact O-OG1 2.8Å; T286-T289 PolarHBondContact OG1-OG1 3.36Å; T289-F291 VanDerWaalsContact CG2-O 3.31Å; T289-F291 WeakPolarHBondContact CG2-O 3.18Å; T289-I292 HydrophobicContact CG2-CD1 4.13Å; T289-I292 HydrophobicContact CG2-CG1 3.7Å
290	N	96.2	Very high	86.5	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.244	C	C	.	.			trans	-111	0.8	172.1	72.9	-30.8	0	0	0	113	M203 L204 D208 L210 L249 R250 L251 N288	M203-N290 CarbonylContact C-O 3.57Å; M203-N290 VanDerWaalsContact CA-O 3.28Å; M203-N290 WeakPolarHBondContact CA-O 3.09Å; L204-N290 HydrophobicContact CB-CB 4.43Å; L204-N290 PolarHBondContact N-O 3.22Å; L204-N290 PolarHBondContact O-ND2 3.5Å; L204-N290 VanDerWaalsContact O-ND2 3.07Å; D208-N290 WeakPolarHBondContact O-CA 3.44Å; D208-N290 WeakPolarHBondContact O-CB 3.43Å; L210-N290 WeakPolarHBondContact CD1-O 3.43Å; L249-N290 PolarHBondContact O-N 2.92Å; L249-N290 VanDerWaalsContact O-N 3.13Å; L249-N290 PolarHBondContact O-OD1 2.89Å; R250-N290 VanDerWaalsContact CA-OD1 3.3Å; R250-N290 WeakPolarHBondContact CA-OD1 3.34Å; L251-N290 PolarHBondContact N-OD1 2.87Å; L251-N290 PolarHBondContact O-ND2 2.87Å; N288-N290 PolarHBondContact O-N 3.07Å; N288-N290 VanDerWaalsContact O-N 3.13Å
291	F	97.2	Very high	86.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129	177.8	176.1	-90.7	0	0	0	109.8	Y201 M202 M203 I247 K248 L249 L251 I257 I261 T289 A293	Y201-F291 HydrophobicContact CD2-CD2 4.49Å; Y201-F291 AromaticContact CD2-CE2 3.67Å; Y201-F291 HydrophobicContact CD2-CE2 3.67Å; Y201-F291 HydrophobicContact CD2-CZ 4.43Å; Y201-F291 AromaticContact CG-CE2 3.81Å; Y201-F291 HydrophobicContact CG-CE2 3.81Å; Y201-F291 HydrophobicContact CG-CZ 4.11Å; M202-F291 WeakPolarHBondContact O-CA 3.49Å; M203-F291 HydrophobicContact CB-CD2 3.99Å; M203-F291 HydrophobicContact CG-CD2 4.32Å; I247-F291 HydrophobicContact CG2-CE1 4.36Å; K248-F291 WeakPolarHBondContact CA-O 3.4Å; L249-F291 HydrophobicContact CB-CB 4.31Å; L249-F291 HydrophobicContact CB-CD1 3.94Å; L249-F291 HydrophobicContact CD1-CD1 4.07Å; L249-F291 HydrophobicContact CD1-CE1 4.25Å; L249-F291 HydrophobicContact CG-CD1 4.22Å; L249-F291 PolarHBondContact N-O 3.45Å; L249-F291 PolarHBondContact O-N 2.91Å; L251-F291 HydrophobicContact CB-CB 4.35Å; L251-F291 HydrophobicContact CD1-CB 3.9Å; L251-F291 HydrophobicContact CD1-CD1 3.95Å; L251-F291 HydrophobicContact CD1-CD2 3.49Å; L251-F291 VanDerWaalsContact CD1-CD2 3.49Å; L251-F291 HydrophobicContact CD1-CE1 4.33Å; L251-F291 HydrophobicContact CD1-CE2 3.93Å; L251-F291 HydrophobicContact CD1-CG 3.49Å; L251-F291 VanDerWaalsContact CD1-CG 3.49Å; L251-F291 HydrophobicContact CD1-CZ 4.32Å; L251-F291 HydrophobicContact CG-CB 3.77Å; L251-F291 HydrophobicContact CG-CD1 4.36Å; L251-F291 HydrophobicContact CG-CD2 4.32Å; L251-F291 HydrophobicContact CG-CG 3.9Å; I257-F291 HydrophobicContact CB-CE2 4.49Å; I257-F291 HydrophobicContact CD1-CE2 4.15Å; I257-F291 HydrophobicContact CG1-CE2 4.11Å; I257-F291 HydrophobicContact CG2-CE2 3.55Å; I257-F291 HydrophobicContact CG2-CZ 3.66Å; I261-F291 HydrophobicContact CD1-CE1 4.12Å; I261-F291 HydrophobicContact CD1-CZ 4.08Å; I261-F291 HydrophobicContact CG1-CZ 4.46Å; T289-F291 VanDerWaalsContact CG2-O 3.31Å; T289-F291 WeakPolarHBondContact CG2-O 3.18Å; F291-A293 HydrophobicContact CE1-CB 3.67Å; F291-A293 HydrophobicContact CZ-CB 3.78Å
292	I	97.4	Very high	86.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.3	172.5	-58.3	-171.6	0	0	0	108.6	Y201 M202 L210 L212 I221 I247 K248 T289	Y201-I292 CarbonylContact C-O 2.89Å; Y201-I292 WeakPolarHBondContact CA-O 3.44Å; Y201-I292 WeakPolarHBondContact CB-O 3.45Å; M202-I292 PolarHBondContact N-O 2.72Å; M202-I292 PolarHBondContact O-N 3.27Å; L210-I292 HydrophobicContact CB-CD1 3.56Å; L210-I292 HydrophobicContact CB-CG1 3.84Å; L210-I292 HydrophobicContact CD1-CG1 4.19Å; L212-I292 HydrophobicContact CB-CD1 3.9Å; L212-I292 HydrophobicContact CB-CG2 4.28Å; L212-I292 HydrophobicContact CD1-CG2 4.17Å; L212-I292 HydrophobicContact CD2-CG2 4.16Å; L212-I292 HydrophobicContact CG-CG2 4.45Å; I221-I292 HydrophobicContact CD1-CB 3.94Å; I221-I292 HydrophobicContact CD1-CG2 3.77Å; I221-I292 HydrophobicContact CG1-CB 4.28Å; I221-I292 HydrophobicContact CG1-CG2 3.95Å; I221-I292 HydrophobicContact CG2-CD1 4.27Å; I247-I292 WeakPolarHBondContact O-CA 3.22Å; K248-I292 HydrophobicContact CG-CD1 4.34Å; K248-I292 HydrophobicContact CG-CG1 4.26Å; T289-I292 HydrophobicContact CG2-CD1 4.13Å; T289-I292 HydrophobicContact CG2-CG1 3.7Å
293	A	97.9	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.8	171.2	0	0	0	0	0	111	I199 F200 H246 I247 I261 L280 F291	I199-A293 HydrophobicContact CG2-CB 3.82Å; F200-A293 CarbonylContact O-C 3.47Å; F200-A293 VanDerWaalsContact O-CA 3.29Å; F200-A293 WeakPolarHBondContact O-CA 3.47Å; H246-A293 CarbonylContact C-O 3.53Å; H246-A293 WeakPolarHBondContact CA-O 3.38Å; H246-A293 WeakPolarHBondContact CB-O 3.22Å; I247-A293 HydrophobicContact CG2-CB 3.92Å; I247-A293 PolarHBondContact N-O 2.7Å; I247-A293 PolarHBondContact O-N 2.99Å; I261-A293 HydrophobicContact CD1-CB 3.83Å; L280-A293 HydrophobicContact CD1-CB 4.12Å; F291-A293 HydrophobicContact CE1-CB 3.67Å; F291-A293 HydrophobicContact CZ-CB 3.78Å
294	V	97.1	Very high	88.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.8	177.6	177.6	0	0	0	0	107.6	I199 F200 L212 Y219 I235 H246 V296	I199-V294 CarbonylContact C-O 3.42Å; I199-V294 WeakPolarHBondContact CA-O 3.25Å; F200-V294 PolarHBondContact N-O 3.48Å; F200-V294 PolarHBondContact O-N 3.01Å; L212-V294 HydrophobicContact CD1-CG2 4.21Å; Y219-V294 HydrophobicContact CD1-CG1 3.82Å; Y219-V294 HydrophobicContact CD1-CG2 3.89Å; Y219-V294 HydrophobicContact CD2-CG1 3.6Å; Y219-V294 HydrophobicContact CE1-CG1 3.96Å; Y219-V294 HydrophobicContact CE2-CG1 3.76Å; Y219-V294 HydrophobicContact CG-CB 4.45Å; Y219-V294 HydrophobicContact CG-CG1 3.63Å; Y219-V294 HydrophobicContact CG-CG2 3.99Å; I235-V294 HydrophobicContact CD1-CB 3.99Å; I235-V294 HydrophobicContact CD1-CG2 3.95Å; H246-V294 HydrophobicContact CB-CG2 4.21Å; V294-V296 HydrophobicContact CG1-CG1 4.34Å
295	Q	96.3	Very high	89.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133	171.8	-174	-174.6	-68.7	0	0	110	Y113 S197 F198 I199 S244 T245 L278 L280 T297	Y113-Q295 PolarHBondContact OH-NE2 2.99Å; Y113-Q295 PolarHBondContact OH-OE1 3.36Å; S197-Q295 PolarHBondContact OG-NE2 2.79Å; F198-Q295 CarbonylContact O-C 3.54Å; F198-Q295 WeakPolarHBondContact O-CA 3.28Å; I199-Q295 HydrophobicContact CG1-CB 4Å; I199-Q295 HydrophobicContact CG1-CG 3.89Å; S244-Q295 CarbonylContact C-O 3.5Å; S244-Q295 WeakPolarHBondContact CA-O 3.37Å; S244-Q295 WeakPolarHBondContact CB-O 3.48Å; T245-Q295 PolarHBondContact N-O 3.15Å; T245-Q295 PolarHBondContact O-N 3.21Å; T245-Q295 WeakPolarHBondContact OG1-CB 3.32Å; L278-Q295 PolarHBondContact O-NE2 2.85Å; L280-Q295 HydrophobicContact CD1-CB 3.85Å; L280-Q295 HydrophobicContact CG-CB 4.03Å; Q295-T297 PolarHBondContact NE2-OG1 3.48Å
296	V	95.1	Very high	90.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.5	169	-62.3	0	0	0	0	109.6	S197 F198 F200 I241 V294 L298 I304	S197-V296 CarbonylContact C-O 3.5Å; S197-V296 WeakPolarHBondContact CA-O 3.5Å; F198-V296 HydrophobicContact CB-CG2 4.05Å; F198-V296 PolarHBondContact N-O 2.82Å; F198-V296 PolarHBondContact O-N 3.31Å; F200-V296 HydrophobicContact CD2-CG2 4.38Å; F200-V296 HydrophobicContact CE2-CG2 3.79Å; I241-V296 HydrophobicContact CD1-CB 4.36Å; I241-V296 HydrophobicContact CD1-CG1 4.03Å; I241-V296 HydrophobicContact CG1-CB 4.4Å; V294-V296 HydrophobicContact CG1-CG1 4.34Å; V296-L298 HydrophobicContact CG2-CD1 4.06Å; V296-L298 HydrophobicContact CG2-CG 4.44Å; V296-I304 HydrophobicContact CG2-CD1 4.12Å
297	T	93	Very high	92.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.7	-178.2	-51.6	0	0	0	0	109.3	Q115 P195 Y196 S197 R242 H243 L277 Q295	Q115-T297 HydrophobicContact CG-CG2 4.34Å; P195-T297 HydrophobicContact CB-CG2 3.83Å; P195-T297 HydrophobicContact CG-CG2 3.88Å; Y196-T297 WeakPolarHBondContact O-CA 3.33Å; S197-T297 WeakPolarHBondContact OG-CG2 3.34Å; S197-T297 PolarHBondContact OG-OG1 3.12Å; R242-T297 PolarHBondContact N-O 3.08Å; H243-T297 WeakPolarHBondContact O-CB 3.43Å; H243-T297 PolarHBondContact O-N 2.98Å; H243-T297 PolarHBondContact O-OG1 2.86Å; L277-T297 HydrophobicContact CD1-CG2 4.39Å; Q295-T297 PolarHBondContact NE2-OG1 3.48Å
298	L	88.3	Confident	93.4	Very high	3 Å²	3	21 Å²	21	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.3	-164.6	-58.1	163.3	0	0	0	109.3	P195 Y196 F198 P238 I241 V296 T302 I304	P195-L298 WeakPolarHBondContact CA-O 3.34Å; P195-L298 WeakPolarHBondContact CB-O 3.44Å; Y196-L298 PolarHBondContact N-O 2.63Å; Y196-L298 VanDerWaalsContact N-O 3.07Å; Y196-L298 PolarHBondContact O-N 2.7Å; F198-L298 HydrophobicContact CD2-CD1 4.04Å; P238-L298 HydrophobicContact CG-CD2 3.62Å; I241-L298 HydrophobicContact CB-CD2 4.34Å; I241-L298 HydrophobicContact CG1-CD2 3.57Å; V296-L298 HydrophobicContact CG2-CD1 4.06Å; V296-L298 HydrophobicContact CG2-CG 4.44Å; L298-T302 HydrophobicContact CB-CG2 4.08Å; L298-T302 HydrophobicContact CD1-CG2 3.66Å; L298-T302 HydrophobicContact CD2-CG2 4.1Å; L298-T302 HydrophobicContact CG-CG2 4.14Å; L298-I304 HydrophobicContact CD1-CD1 3.43Å; L298-I304 VanDerWaalsContact CD1-CD1 3.43Å; L298-I304 HydrophobicContact CD1-CG1 3.97Å
299	A	78.6	Confident	93.7	Very high	31 Å²	31	17.4 Å²	17.4	26%	0.256	10%	0.095	S	C	.	.			trans	-126.9	125.3	172.9	0	0	0	0	0	109.9	P195	P195-A299 HydrophobicContact CB-CB 4.34Å
300	G	79	Confident	93.6	Very high	29 Å²	29	17.2 Å²	17.2	30%	0.299	9%	0.094	S	C	.	.	S	Bend	trans	81.7	-169.6	-177.7	0	0	0	0	0	113.3	T302	G300-T302 PolarHBondContact O-N 3.49Å
301	N	87	Confident	93.4	Very high	102 Å²	102	19.7 Å²	19.7	55%	0.545	11%	0.107	S	C	.	.	S	Bend	trans	-75.1	128.2	-170.3	-60.9	5.5	0	0	0	109.9	T183 D184 I185	T183-N301 WeakPolarHBondContact O-CA 3.24Å; T183-N301 WeakPolarHBondContact O-CB 3.34Å; D184-N301 WeakPolarHBondContact CA-OD1 3.45Å; D184-N301 VanDerWaalsContact OD1-CG 3.23Å; D184-N301 PolarHBondContact OD1-ND2 3.49Å; D184-N301 PolarHBondContact OD1-OD1 3.45Å; D184-N301 VanDerWaalsContact OD1-OD1 3.13Å; I185-N301 PolarHBondContact N-OD1 3.41Å
302	T	91.2	Very high	93	Very high	20 Å²	20	22.1 Å²	22.1	12%	0.123	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	170.8	-177.5	-160	0	0	0	0	113.2	E182 T183 P238 L298 G300	E182-T302 WeakPolarHBondContact CA-O 3.29Å; T183-T302 PolarHBondContact N-O 3.37Å; T183-T302 PolarHBondContact O-N 3.48Å; T183-T302 WeakPolarHBondContact OG1-CG2 3.47Å; T183-T302 PolarHBondContact OG1-N 2.79Å; T183-T302 PolarHBondContact OG1-O 2.92Å; T183-T302 VanDerWaalsContact OG1-O 3.08Å; P238-T302 VanDerWaalsContact CB-OG1 3.24Å; P238-T302 WeakPolarHBondContact CB-OG1 3.36Å; P238-T302 HydrophobicContact CG-CG2 4.26Å; P238-T302 WeakPolarHBondContact CG-OG1 3.43Å; L298-T302 HydrophobicContact CB-CG2 4.08Å; L298-T302 HydrophobicContact CD1-CG2 3.66Å; L298-T302 HydrophobicContact CD2-CG2 4.1Å; L298-T302 HydrophobicContact CG-CG2 4.14Å; G300-T302 PolarHBondContact O-N 3.49Å
303	R	94.5	Very high	92.1	Very high	119 Å²	119	25.3 Å²	25.3	45%	0.449	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.3	-176.9	-179.9	-177	-65.3	170.2	1.3	109.4	R180 I181 E182	R180-R303 HydrophobicContact CG-CG 3.78Å; I181-R303 WeakPolarHBondContact O-CA 3.29Å; E182-R303 HydrophobicContact CG-CG 4.18Å; E182-R303 IonicContact OE1-CZ 3.82Å; E182-R303 IonicContact OE1-NE 3.18Å; E182-R303 PolarHBondContact OE1-NE 2.79Å; E182-R303 IonicContact OE1-NH2 2.64Å; E182-R303 PolarHBondContact OE1-NH2 3.15Å
304	I	96.5	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.1	173.6	-51.2	159.5	0	0	0	107	R180 I181 F198 F200 I235 V296 L298	R180-I304 WeakPolarHBondContact CA-O 3.32Å; I181-I304 HydrophobicContact CB-CB 4.39Å; I181-I304 PolarHBondContact N-O 2.86Å; I181-I304 PolarHBondContact O-N 3.45Å; F198-I304 HydrophobicContact CB-CD1 4.49Å; F198-I304 HydrophobicContact CG-CD1 4.39Å; F200-I304 HydrophobicContact CE1-CG2 4.42Å; F200-I304 HydrophobicContact CE2-CD1 3.89Å; F200-I304 HydrophobicContact CE2-CG2 4.06Å; F200-I304 HydrophobicContact CZ-CB 4.28Å; F200-I304 HydrophobicContact CZ-CD1 3.64Å; F200-I304 HydrophobicContact CZ-CG2 3.76Å; I235-I304 HydrophobicContact CG2-CG2 4.44Å; V296-I304 HydrophobicContact CG2-CD1 4.12Å; L298-I304 HydrophobicContact CD1-CD1 3.43Å; L298-I304 VanDerWaalsContact CD1-CD1 3.43Å; L298-I304 HydrophobicContact CD1-CG1 3.97Å
305	E	97.5	Very high	88.6	Confident	28 Å²	28	32.2 Å²	32.2	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.6	173.6	-64.7	-169.6	131.8	0	0	109.7	W179 R180 I236 T321 G322	W179-E305 CarbonylContact O-C 3.58Å; W179-E305 WeakPolarHBondContact O-CA 3.5Å; R180-E305 HydrophobicContact CG-CG 4.21Å; R180-E305 IonicContact CZ-OE1 3.66Å; R180-E305 VanDerWaalsContact CZ-OE1 3.27Å; R180-E305 IonicContact NE-OE1 3.91Å; R180-E305 PolarHBondContact NE-OE1 3.34Å; R180-E305 IonicContact NH2-OE1 2.83Å; R180-E305 PolarHBondContact NH2-OE1 3.1Å; I236-E305 HydrophobicContact CB-CB 4.43Å; I236-E305 PolarHBondContact N-O 3.42Å; I236-E305 PolarHBondContact O-N 3.43Å; E305-T321 HydrophobicContact CB-CG2 4.25Å; E305-T321 WeakPolarHBondContact OE2-CB 3.5Å; E305-G322 PolarHBondContact OE1-N 3.41Å; E305-G322 PolarHBondContact OE2-N 2.85Å
306	V	98.2	Very high	86.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.9	173.3	-179.2	0	0	0	0	107.2	F108 W177 A178 W179 F200 L233 H234 I235	F108-V306 HydrophobicContact CE2-CG1 3.84Å; F108-V306 HydrophobicContact CZ-CB 4.41Å; F108-V306 HydrophobicContact CZ-CG1 3.9Å; F108-V306 HydrophobicContact CZ-CG2 4.32Å; W177-V306 HydrophobicContact CZ3-CG1 4.21Å; A178-V306 CarbonylContact C-O 3.52Å; A178-V306 WeakPolarHBondContact CA-O 3.46Å; A178-V306 WeakPolarHBondContact CB-O 3.43Å; W179-V306 HydrophobicContact CB-CB 4.27Å; W179-V306 PolarHBondContact N-O 2.86Å; W179-V306 PolarHBondContact O-N 3.03Å; F200-V306 HydrophobicContact CD1-CG2 3.65Å; F200-V306 HydrophobicContact CE1-CG2 3.76Å; F200-V306 HydrophobicContact CG-CG2 4.46Å; L233-V306 HydrophobicContact CD1-CG1 3.63Å; L233-V306 HydrophobicContact CD2-CG1 4.27Å; L233-V306 HydrophobicContact CG-CG1 4Å; H234-V306 CarbonylContact O-C 3.47Å; H234-V306 WeakPolarHBondContact O-CA 3.41Å; I235-V306 HydrophobicContact CG1-CG1 4.38Å; I235-V306 HydrophobicContact CG1-CG2 4.38Å; I235-V306 HydrophobicContact CG2-CG2 4.46Å
307	A	98	Very high	85.6	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.9	-177.1	0	0	0	0	0	111.4	A178 H234 L319 T321	A178-A307 HydrophobicContact CB-CB 4.21Å; H234-A307 PolarHBondContact CD2-O 3.34Å; H234-A307 PolarHBondContact N-O 2.81Å; H234-A307 PolarHBondContact O-N 2.95Å; A307-L319 HydrophobicContact CB-CD1 3.52Å; A307-L319 HydrophobicContact CB-CD2 4.05Å; A307-L319 HydrophobicContact CB-CG 3.63Å; A307-T321 HydrophobicContact CB-CG2 3.79Å
308	F	97.5	Very high	84.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125	171.7	-175.4	-85.2	0	0	0	110.2	W87 N176 W177 M202 L228 F231 R232 L233	W87-F308 HydrophobicContact CH2-CE2 4.39Å; W87-F308 HydrophobicContact CH2-CZ 4.37Å; W87-F308 AromaticContact CZ2-CE1 3.91Å; W87-F308 HydrophobicContact CZ2-CE1 3.91Å; W87-F308 HydrophobicContact CZ2-CE2 4.06Å; W87-F308 AromaticContact CZ2-CZ 3.66Å; W87-F308 HydrophobicContact CZ2-CZ 3.66Å; N176-F308 WeakPolarHBondContact CA-O 3.5Å; N176-F308 VanDerWaalsContact CB-O 3.32Å; N176-F308 WeakPolarHBondContact CB-O 3.4Å; W177-F308 AromaticContact CD1-CD1 3.83Å; W177-F308 AromaticContact CD1-CG 3.84Å; W177-F308 HydrophobicContact CD2-CB 3.39Å; W177-F308 HydrophobicContact CD2-CG 4.17Å; W177-F308 AromaticContact CE2-CD2 3.85Å; W177-F308 AromaticContact CE2-CG 3.54Å; W177-F308 HydrophobicContact CE3-CB 3.91Å; W177-F308 HydrophobicContact CG-CB 3.77Å; W177-F308 HydrophobicContact CG-CG 4.37Å; W177-F308 HydrophobicContact CH2-CB 4.11Å; W177-F308 HydrophobicContact CZ2-CB 3.62Å; W177-F308 AromaticContact CZ2-CD2 3.77Å; W177-F308 HydrophobicContact CZ2-CD2 3.77Å; W177-F308 AromaticContact CZ2-CG 3.92Å; W177-F308 HydrophobicContact CZ2-CG 3.92Å; W177-F308 HydrophobicContact CZ3-CB 4.21Å; W177-F308 PolarHBondContact N-O 3.46Å; W177-F308 AromaticContact NE1-CD1 3.63Å; W177-F308 AromaticContact NE1-CD2 3.75Å; W177-F308 AromaticContact NE1-CG 3.31Å; W177-F308 VanDerWaalsContact NE1-CG 3.31Å; W177-F308 PolarHBondContact O-N 2.89Å; M202-F308 HydrophobicContact CE-CD2 4.02Å; M202-F308 HydrophobicContact CE-CE2 4.18Å; L228-F308 HydrophobicContact CD1-CZ 4.19Å; F231-F308 HydrophobicContact CB-CE1 4.02Å; F231-F308 HydrophobicContact CB-CE2 3.91Å; F231-F308 HydrophobicContact CB-CZ 3.41Å; F231-F308 VanDerWaalsContact CB-CZ 3.41Å; F231-F308 HydrophobicContact CD1-CE2 4.46Å; F231-F308 HydrophobicContact CD1-CZ 4.17Å; F231-F308 HydrophobicContact CD2-CD2 4.22Å; F231-F308 AromaticContact CD2-CE2 3.32Å; F231-F308 HydrophobicContact CD2-CE2 3.32Å; F231-F308 AromaticContact CD2-CZ 3.73Å; F231-F308 HydrophobicContact CD2-CZ 3.73Å; F231-F308 AromaticContact CE2-CE2 3.98Å; F231-F308 HydrophobicContact CE2-CE2 3.98Å; F231-F308 AromaticContact CG-CE2 3.63Å; F231-F308 HydrophobicContact CG-CE2 3.63Å; F231-F308 AromaticContact CG-CZ 3.48Å; F231-F308 HydrophobicContact CG-CZ 3.48Å; F231-F308 VanDerWaalsContact CG-CZ 3.48Å; R232-F308 CarbonylContact O-C 3.54Å; R232-F308 WeakPolarHBondContact O-CA 3.42Å; L233-F308 HydrophobicContact CD1-CB 4.06Å; L233-F308 HydrophobicContact CD1-CD2 4.27Å
309	E	95.5	Very high	85	Confident	19 Å²	19	56.1 Å²	56.1	9%	0.089	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.1	-176.6	-177.7	-169.3	-167.6	0	0	109.5	F231 R232 H234 L311 L319	F231-E309 CarbonylContact C-O 3.53Å; F231-E309 VanDerWaalsContact CA-O 3.24Å; F231-E309 WeakPolarHBondContact CA-O 3.47Å; F231-E309 WeakPolarHBondContact CB-O 3.47Å; R232-E309 HydrophobicContact CB-CB 4.4Å; R232-E309 PolarHBondContact N-O 2.9Å; R232-E309 PolarHBondContact O-N 3.2Å; H234-E309 IonicContact CD2-OE2 3.48Å; H234-E309 IonicContact CE1-OE2 3.45Å; H234-E309 IonicContact NE2-OE2 3.81Å; H234-E309 PolarHBondContact NE2-OE2 2.83Å; E309-L311 HydrophobicContact CG-CD2 3.99Å; E309-L319 HydrophobicContact CB-CD1 4.02Å
310	S	93.5	Very high	85.7	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.028	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.4	167.4	174.8	0	0	0	0	110.6	H173 N176 V312	H173-S310 PolarHBondContact CE1-OG 3.11Å; H173-S310 PolarHBondContact ND1-OG 3.24Å; N176-S310 PolarHBondContact OD1-N 3.41Å; S310-V312 VanDerWaalsContact C-N 3.32Å; S310-V312 WeakPolarHBondContact OG-CG2 3.13Å; S310-V312 PolarHBondContact OG-N 3.31Å
311	L	92.6	Very high	86.5	Confident	56 Å²	56	55 Å²	55	29%	0.293	31%	0.308	S	S	.	.			trans	-93	13.7	-179.6	-55.3	179.7	0	0	0	113.2	N230 R232 E309 G313	N230-L311 HydrophobicContact CB-CB 4.1Å; N230-L311 HydrophobicContact CB-CD1 4.06Å; N230-L311 VanDerWaalsContact O-CB 3.29Å; N230-L311 WeakPolarHBondContact O-CB 3.44Å; N230-L311 PolarHBondContact O-N 2.86Å; R232-L311 HydrophobicContact CG-CD1 4.02Å; R232-L311 HydrophobicContact CG-CD2 4.5Å; R232-L311 HydrophobicContact CG-CG 4.49Å; E309-L311 HydrophobicContact CG-CD2 3.99Å; L311-G313 PolarHBondContact O-N 2.83Å
312	V	87.8	Confident	86.9	Confident	51 Å²	51	51.5 Å²	51.5	31%	0.309	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	125.2	179.8	178.1	0	0	0	0	110.9	K229 S310 R317	K229-V312 HydrophobicContact CB-CG2 3.97Å; K229-V312 HydrophobicContact CG-CG2 4.1Å; S310-V312 VanDerWaalsContact C-N 3.32Å; S310-V312 WeakPolarHBondContact OG-CG2 3.13Å; S310-V312 PolarHBondContact OG-N 3.31Å; V312-R317 PolarHBondContact O-NH1 2.99Å
313	G	79.4	Confident	87.1	Confident	67 Å²	67	58.7 Å²	58.7	69%	0.691	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	4.5	176.6	0	0	0	0	0	115.7	L311 A315	L311-G313 PolarHBondContact O-N 2.83Å; G313-A315 PolarHBondContact O-N 3.11Å
314	G	66.3	Low	87.2	Confident	78 Å²	78	55.5 Å²	55.5	80%	0.804	32%	0.32	S	S	*	.	S	Bend	trans	71.2	-14.4	167	0	0	0	0	0	117.3
315	A	55.6	Low	87.2	Confident	67 Å²	67	55.6 Å²	55.6	55%	0.554	32%	0.321	S	S	*	.			trans	-77.8	131.8	174.6	0	0	0	0	0	111.1	G313 R317	G313-A315 PolarHBondContact O-N 3.11Å; A315-R317 PolarHBondContact O-N 2.76Å
316	K	59.1	Low	87.2	Confident	210 Å²	210	57.1 Å²	57.1	91%	0.913	33%	0.33	S	S	*	.			trans	-58	99.2	161.8	-111	-176.6	175.3	-177	0	107.4
317	R	68.5	Low	87.2	Confident	101 Å²	101	60.8 Å²	60.8	38%	0.381	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-85.4	153.8	172.6	-71.5	-175.6	175.5	126.3	-2	109.1	V312 A315 L319	V312-R317 PolarHBondContact O-NH1 2.99Å; A315-R317 PolarHBondContact O-N 2.76Å; R317-L319 PolarHBondContact O-N 3.1Å
318	E	77.7	Confident	87.2	Confident	151 Å²	151	65.2 Å²	65.2	71%	0.706	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.6	130.3	175.7	-69.1	-179.5	169.6	0	0	110.2	L324	E318-L324 HydrophobicContact CB-CD2 3.69Å
319	L	91.1	Very high	87.2	Confident	43 Å²	43	66 Å²	66	23%	0.225	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.7	176.1	-168.2	65.6	0	0	0	109.1	H234 I236 A307 E309 R317 T321	H234-L319 HydrophobicContact CB-CD2 4.21Å; H234-L319 VanDerWaalsContact CD2-CD1 3.49Å; H234-L319 WeakPolarHBondContact CD2-CD1 3.44Å; I236-L319 HydrophobicContact CD1-CD2 3.91Å; A307-L319 HydrophobicContact CB-CD1 3.52Å; A307-L319 HydrophobicContact CB-CD2 4.05Å; A307-L319 HydrophobicContact CB-CG 3.63Å; E309-L319 HydrophobicContact CB-CD1 4.02Å; R317-L319 PolarHBondContact O-N 3.1Å; L319-T321 HydrophobicContact CD2-CG2 3.91Å; L319-T321 HydrophobicContact CG-CG2 3.92Å; L319-T321 PolarHBondContact O-N 3Å; L319-T321 PolarHBondContact O-OG1 3.03Å
320	L	94.3	Very high	87.4	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	40%	0.4	C	S	.	.	S	Bend	trans	-75.3	69.4	-176.3	-172	63.2	0	0	0	111.2	V166 A178 L324 F325 K328	V166-L320 HydrophobicContact CB-CD2 4.13Å; V166-L320 HydrophobicContact CG1-CD2 4.02Å; V166-L320 WeakPolarHBondContact O-CD2 3.3Å; A178-L320 HydrophobicContact CB-CB 3.95Å; A178-L320 HydrophobicContact CB-CD2 3.91Å; A178-L320 HydrophobicContact CB-CG 3.88Å; A178-L320 WeakPolarHBondContact CB-O 3.32Å; L320-L324 HydrophobicContact CD1-CD2 4.37Å; L320-L324 HydrophobicContact CD1-CG 4.03Å; L320-F325 HydrophobicContact CG-CD2 4.41Å; L320-K328 HydrophobicContact CD1-CB 4.37Å; L320-K328 HydrophobicContact CD1-CG 3.99Å
321	T	95.6	Very high	87.6	Confident	32 Å²	32	71.5 Å²	71.5	20%	0.196	42%	0.423	C	S	.	.			trans	-139.5	165.8	-174.3	49.6	0	0	0	0	110	I236 E305 A307 L319 E323 L324 F325	I236-T321 HydrophobicContact CD1-CG2 3.78Å; E305-T321 HydrophobicContact CB-CG2 4.25Å; E305-T321 WeakPolarHBondContact OE2-CB 3.5Å; A307-T321 HydrophobicContact CB-CG2 3.79Å; L319-T321 HydrophobicContact CD2-CG2 3.91Å; L319-T321 HydrophobicContact CG-CG2 3.92Å; L319-T321 PolarHBondContact O-N 3Å; L319-T321 PolarHBondContact O-OG1 3.03Å; T321-E323 PolarHBondContact O-N 3.31Å; T321-L324 PolarHBondContact O-N 2.9Å; T321-F325 PolarHBondContact O-N 2.87Å
322	G	94.5	Very high	87.9	Confident	30 Å²	30	69 Å²	69	31%	0.309	41%	0.411	S	S	.	.	H	α-helix	trans	54.3	-133.6	175.5	0	0	0	0	0	113.9	R180 E305 L324 F325 D326	R180-G322 PolarHBondContact NH2-O 3.19Å; E305-G322 PolarHBondContact OE1-N 3.41Å; E305-G322 PolarHBondContact OE2-N 2.85Å; G322-L324 VanDerWaalsContact C-N 3.31Å; G322-L324 PolarHBondContact O-N 3.46Å; G322-F325 WeakPolarHBondContact O-CB 3.39Å; G322-F325 PolarHBondContact O-N 3.03Å; G322-F325 VanDerWaalsContact O-N 3.15Å; G322-D326 PolarHBondContact O-N 3.29Å
323	E	95.7	Very high	88.4	Confident	171 Å²	171	71.9 Å²	71.9	80%	0.799	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-34.7	-175.9	-64.8	-174.7	173.5	0	0	113.6	T321 F325 D326 S327	T321-E323 PolarHBondContact O-N 3.31Å; E323-F325 VanDerWaalsContact C-N 3.34Å; E323-D326 PolarHBondContact O-N 2.91Å; E323-S327 WeakPolarHBondContact O-CB 3.46Å; E323-S327 PolarHBondContact O-N 3.3Å
324	L	95.8	Very high	89.3	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.267	41%	0.409	S	S	.	.	H	α-helix	trans	-65.4	-41.5	177.5	-179.9	60.7	0	0	0	110.7	E318 L320 T321 G322 K328	E318-L324 HydrophobicContact CB-CD2 3.69Å; L320-L324 HydrophobicContact CD1-CD2 4.37Å; L320-L324 HydrophobicContact CD1-CG 4.03Å; T321-L324 PolarHBondContact O-N 2.9Å; G322-L324 VanDerWaalsContact C-N 3.31Å; G322-L324 PolarHBondContact O-N 3.46Å; L324-K328 HydrophobicContact CD1-CG 4.3Å; L324-K328 WeakPolarHBondContact O-CB 3.49Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.44Å; L324-K328 PolarHBondContact O-N 3.08Å; L324-K328 VanDerWaalsContact O-N 3.09Å
325	F	97.6	Very high	90.8	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.009	40%	0.398	C	S	.	.	H	α-helix	trans	-60.4	-47	173.2	-178.9	-81.9	0	0	0	110.9	T164 V166 A178 R180 L320 T321 G322 E323 S327 K328 L329	T164-F325 HydrophobicContact CG2-CE1 4.15Å; T164-F325 HydrophobicContact CG2-CZ 3.87Å; V166-F325 HydrophobicContact CB-CD2 4.31Å; V166-F325 HydrophobicContact CB-CE2 4.06Å; V166-F325 HydrophobicContact CG2-CD2 4.23Å; V166-F325 HydrophobicContact CG2-CE1 4.39Å; V166-F325 HydrophobicContact CG2-CE2 3.81Å; V166-F325 HydrophobicContact CG2-CZ 3.91Å; A178-F325 HydrophobicContact CB-CD2 3.92Å; A178-F325 HydrophobicContact CB-CE2 4.06Å; R180-F325 HydrophobicContact CB-CE1 3.92Å; R180-F325 HydrophobicContact CB-CE2 4.23Å; R180-F325 HydrophobicContact CB-CZ 3.65Å; R180-F325 VanDerWaalsContact CZ-CD1 3.44Å; L320-F325 HydrophobicContact CG-CD2 4.41Å; T321-F325 PolarHBondContact O-N 2.87Å; G322-F325 WeakPolarHBondContact O-CB 3.39Å; G322-F325 PolarHBondContact O-N 3.03Å; G322-F325 VanDerWaalsContact O-N 3.15Å; E323-F325 VanDerWaalsContact C-N 3.34Å; F325-S327 PolarHBondContact O-N 2.57Å; F325-K328 PolarHBondContact O-N 2.61Å; F325-L329 HydrophobicContact CE1-CB 4.48Å; F325-L329 HydrophobicContact CE1-CD2 3.99Å; F325-L329 VanDerWaalsContact O-CB 3.29Å; F325-L329 WeakPolarHBondContact O-CB 3.42Å; F325-L329 PolarHBondContact O-N 3.02Å
326	D	98	Very high	92.8	Very high	61 Å²	61	70.9 Å²	70.9	33%	0.326	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-41.8	-178.4	-69.6	-39.4	0	0	0	112.9	R180 G322 E323 S330	R180-D326 IonicContact CZ-OD1 2.72Å; R180-D326 IonicContact NH1-OD1 3.93Å; R180-D326 PolarHBondContact NH1-OD1 3.47Å; R180-D326 IonicContact NH1-OD2 2.78Å; R180-D326 IonicContact NH2-OD1 3.29Å; R180-D326 PolarHBondContact NH2-OD1 3.11Å; R180-D326 IonicContact NH2-OD2 3.51Å; G322-D326 PolarHBondContact O-N 3.29Å; E323-D326 PolarHBondContact O-N 2.91Å; D326-S330 WeakPolarHBondContact O-CB 3.42Å; D326-S330 PolarHBondContact O-N 2.89Å; D326-S330 PolarHBondContact O-OG 3.2Å
327	S	97.9	Very high	94.6	Very high	77 Å²	77	63.8 Å²	63.8	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-48.6	176.4	177	0	0	0	0	111.5	E323 F325 S330 A331	E323-S327 WeakPolarHBondContact O-CB 3.46Å; E323-S327 PolarHBondContact O-N 3.3Å; F325-S327 PolarHBondContact O-N 2.57Å; S327-S330 PolarHBondContact O-N 3.43Å; S327-A331 PolarHBondContact O-N 2.96Å
328	K	97.3	Very high	96	Very high	93 Å²	93	66.8 Å²	66.8	40%	0.404	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-42.7	178.9	-69.1	-69.4	-176	-180	0	112.1	V166 L320 L324 F325 A331 A332	V166-K328 HydrophobicContact CG1-CB 3.69Å; L320-K328 HydrophobicContact CD1-CB 4.37Å; L320-K328 HydrophobicContact CD1-CG 3.99Å; L324-K328 HydrophobicContact CD1-CG 4.3Å; L324-K328 WeakPolarHBondContact O-CB 3.49Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.44Å; L324-K328 PolarHBondContact O-N 3.08Å; L324-K328 VanDerWaalsContact O-N 3.09Å; F325-K328 PolarHBondContact O-N 2.61Å; K328-A331 PolarHBondContact O-N 3.18Å; K328-A332 WeakPolarHBondContact O-CB 3.31Å; K328-A332 PolarHBondContact O-N 3.42Å
329	L	98.3	Very high	97	Very high	18 Å²	18	63 Å²	63	9%	0.094	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-49.2	175.4	179.1	62	0	0	0	110.9	Y149 I151 T164 V166 F325 A331 A332 R333	Y149-L329 HydrophobicContact CD2-CD1 3.88Å; I151-L329 HydrophobicContact CD1-CD1 4.34Å; I151-L329 HydrophobicContact CG1-CD1 4.46Å; T164-L329 HydrophobicContact CG2-CD1 3.59Å; T164-L329 HydrophobicContact CG2-CD2 3.66Å; T164-L329 HydrophobicContact CG2-CG 4.27Å; V166-L329 HydrophobicContact CG2-CB 3.93Å; V166-L329 HydrophobicContact CG2-CD1 4.06Å; F325-L329 HydrophobicContact CE1-CB 4.48Å; F325-L329 HydrophobicContact CE1-CD2 3.99Å; F325-L329 VanDerWaalsContact O-CB 3.29Å; F325-L329 WeakPolarHBondContact O-CB 3.42Å; F325-L329 PolarHBondContact O-N 3.02Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.31Å; L329-A332 PolarHBondContact O-N 3.48Å; L329-R333 HydrophobicContact CD1-CG 4.02Å; L329-R333 HydrophobicContact CG-CG 4.33Å; L329-R333 VanDerWaalsContact O-CG 3.25Å; L329-R333 WeakPolarHBondContact O-CG 3.43Å; L329-R333 PolarHBondContact O-N 3.04Å
330	S	98.5	Very high	97.3	Very high	76 Å²	76	60.9 Å²	60.9	53%	0.531	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-41.9	-177.8	-60.5	0	0	0	0	112.2	D326 S327 A334	D326-S330 WeakPolarHBondContact O-CB 3.42Å; D326-S330 PolarHBondContact O-N 2.89Å; D326-S330 PolarHBondContact O-OG 3.2Å; S327-S330 PolarHBondContact O-N 3.43Å; S330-A334 PolarHBondContact O-N 3.44Å; S330-A334 VanDerWaalsContact O-N 3.16Å
331	A	98.2	Very high	97.4	Very high	62 Å²	62	62.2 Å²	62.2	51%	0.512	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-47	175.3	0	0	0	0	0	112.1	S327 K328 L329 R333 A334 E335	S327-A331 PolarHBondContact O-N 2.96Å; K328-A331 PolarHBondContact O-N 3.18Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.31Å; A331-R333 PolarHBondContact O-N 3.01Å; A331-A334 PolarHBondContact O-N 2.77Å; A331-E335 PolarHBondContact O-N 2.97Å
332	A	98	Very high	97.5	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-39.7	-178.9	0	0	0	0	0	112.4	I148 Y149 K328 L329 E335 F336	I148-A332 HydrophobicContact CD1-CB 3.84Å; I148-A332 HydrophobicContact CG1-CB 4.36Å; Y149-A332 HydrophobicContact CD1-CB 3.59Å; Y149-A332 HydrophobicContact CD2-CB 4.49Å; Y149-A332 HydrophobicContact CE1-CB 4.18Å; Y149-A332 HydrophobicContact CG-CB 3.75Å; K328-A332 WeakPolarHBondContact O-CB 3.31Å; K328-A332 PolarHBondContact O-N 3.42Å; L329-A332 PolarHBondContact O-N 3.48Å; A332-E335 PolarHBondContact O-N 3.5Å; A332-F336 WeakPolarHBondContact O-CB 3.3Å; A332-F336 PolarHBondContact O-N 3.21Å
333	R	98.2	Very high	97.6	Very high	110 Å²	110	64 Å²	64	42%	0.415	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176.1	-66.6	-178.4	74.7	-153.9	-1.9	112.5	E143 Y149 I151 L329 A331 E335 F336 E337	E143-R333 IonicContact OE1-CZ 3.86Å; E143-R333 IonicContact OE1-NE 3.06Å; E143-R333 PolarHBondContact OE1-NE 2.81Å; E143-R333 VanDerWaalsContact OE1-NE 3.17Å; E143-R333 IonicContact OE1-NH2 2.87Å; E143-R333 PolarHBondContact OE1-NH2 2.76Å; E143-R333 WeakPolarHBondContact OE2-CG 3.27Å; E143-R333 IonicContact OE2-NE 3.33Å; E143-R333 PolarHBondContact OE2-NE 3.04Å; Y149-R333 HydrophobicContact CD2-CG 4.25Å; Y149-R333 HydrophobicContact CE2-CG 3.66Å; I151-R333 HydrophobicContact CD1-CG 4.25Å; L329-R333 HydrophobicContact CD1-CG 4.02Å; L329-R333 HydrophobicContact CG-CG 4.33Å; L329-R333 VanDerWaalsContact O-CG 3.25Å; L329-R333 WeakPolarHBondContact O-CG 3.43Å; L329-R333 PolarHBondContact O-N 3.04Å; A331-R333 PolarHBondContact O-N 3.01Å; R333-E335 VanDerWaalsContact C-N 3.32Å; R333-E335 PolarHBondContact O-N 2.75Å; R333-F336 PolarHBondContact O-N 3.17Å; R333-E337 PolarHBondContact O-N 3.44Å
334	A	98.4	Very high	97.7	Very high	65 Å²	65	55.9 Å²	55.9	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-39	176.9	0	0	0	0	0	111.8	S330 A331 K338	S330-A334 PolarHBondContact O-N 3.44Å; S330-A334 VanDerWaalsContact O-N 3.16Å; A331-A334 PolarHBondContact O-N 2.77Å; A334-K338 WeakPolarHBondContact O-CB 3.42Å; A334-K338 PolarHBondContact O-N 2.87Å; A334-K338 VanDerWaalsContact O-N 3.17Å
335	E	97.9	Very high	97.7	Very high	122 Å²	122	57.6 Å²	57.6	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-43.9	175	-175.8	176.2	-174.2	0	0	112.1	A331 A332 R333 K338 K339	A331-E335 PolarHBondContact O-N 2.97Å; A332-E335 PolarHBondContact O-N 3.5Å; R333-E335 VanDerWaalsContact C-N 3.32Å; R333-E335 PolarHBondContact O-N 2.75Å; E335-K338 PolarHBondContact O-N 3.03Å; E335-K339 WeakPolarHBondContact O-CB 3.48Å; E335-K339 PolarHBondContact O-N 3.36Å
336	F	98.1	Very high	97.7	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-46.8	176.2	174.4	-95.8	0	0	0	112.3	E143 D145 Y149 A332 R333 K338 K339 F340 K360 L363 W423	E143-F336 HydrophobicContact CB-CE1 4.49Å; E143-F336 HydrophobicContact CG-CE1 4.26Å; D145-F336 HydrophobicContact CB-CD2 4.14Å; Y149-F336 HydrophobicContact CE1-CB 3.7Å; Y149-F336 HydrophobicContact CE1-CD2 4.31Å; Y149-F336 HydrophobicContact CE1-CG 4.17Å; Y149-F336 AromaticContact CZ-CG 3.99Å; Y149-F336 WeakPolarHBondContact OH-CB 3.23Å; Y149-F336 VanDerWaalsContact OH-CD1 3.25Å; Y149-F336 WeakPolarHBondContact OH-CD1 3.35Å; Y149-F336 WeakPolarHBondContact OH-CG 3.28Å; A332-F336 WeakPolarHBondContact O-CB 3.3Å; A332-F336 PolarHBondContact O-N 3.21Å; R333-F336 PolarHBondContact O-N 3.17Å; F336-K338 VanDerWaalsContact C-N 3.32Å; F336-K338 PolarHBondContact O-N 3.47Å; F336-K339 PolarHBondContact O-N 2.93Å; F336-F340 HydrophobicContact CZ-CD2 4.33Å; F336-F340 VanDerWaalsContact O-CB 3.22Å; F336-F340 WeakPolarHBondContact O-CB 3.41Å; F336-F340 PolarHBondContact O-N 3.29Å; F336-K360 HydrophobicContact CE1-CB 4.49Å; F336-K360 HydrophobicContact CE1-CD 4.27Å; F336-K360 HydrophobicContact CE1-CG 4.13Å; F336-K360 HydrophobicContact CZ-CG 4.46Å; F336-L363 HydrophobicContact CE2-CD2 4.22Å; F336-L363 HydrophobicContact CZ-CD2 4.44Å; F336-W423 AromaticContact CD2-CH2 3.47Å; F336-W423 HydrophobicContact CD2-CH2 3.47Å; F336-W423 VanDerWaalsContact CD2-CH2 3.47Å; F336-W423 AromaticContact CD2-CZ2 3.77Å; F336-W423 HydrophobicContact CD2-CZ2 3.77Å; F336-W423 AromaticContact CE2-CH2 3.68Å; F336-W423 HydrophobicContact CE2-CH2 3.68Å; F336-W423 AromaticContact CE2-CZ2 3.96Å; F336-W423 HydrophobicContact CE2-CZ2 3.96Å; F336-W423 HydrophobicContact CE2-CZ3 4.48Å; F336-W423 HydrophobicContact CG-CH2 4.37Å
337	E	96.9	Very high	97.5	Very high	61 Å²	61	60.7 Å²	60.7	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-49.3	178.4	-170.1	61.9	-148.4	0	0	110.8	R333 K339 F340 E341 K360	R333-E337 PolarHBondContact O-N 3.44Å; E337-K339 PolarHBondContact O-N 3.04Å; E337-F340 PolarHBondContact O-N 3.24Å; E337-E341 PolarHBondContact O-N 3.18Å; E337-K360 WeakPolarHBondContact OE1-CE 3.5Å; E337-K360 IonicContact OE1-NZ 2.9Å; E337-K360 PolarHBondContact OE1-NZ 3.34Å; E337-K360 WeakPolarHBondContact OE2-CE 3.36Å; E337-K360 IonicContact OE2-NZ 3.43Å; E337-K360 PolarHBondContact OE2-NZ 2.82Å
338	K	97.9	Very high	97.2	Very high	165 Å²	165	63.6 Å²	63.6	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-45.4	177.5	-179	-176.4	176.4	-174.9	0	111.9	A334 E335 F336 A342	A334-K338 WeakPolarHBondContact O-CB 3.42Å; A334-K338 PolarHBondContact O-N 2.87Å; A334-K338 VanDerWaalsContact O-N 3.17Å; E335-K338 PolarHBondContact O-N 3.03Å; F336-K338 VanDerWaalsContact C-N 3.32Å; F336-K338 PolarHBondContact O-N 3.47Å; K338-A342 VanDerWaalsContact O-CB 3.29Å; K338-A342 WeakPolarHBondContact O-CB 3.4Å; K338-A342 PolarHBondContact O-N 3.48Å
339	K	97.9	Very high	97.1	Very high	70 Å²	70	62.6 Å²	62.6	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-69.2	-39.9	-179.2	-173.7	179.6	172.5	-171.2	0	111.5	E335 F336 E337 A342 A343 W423	E335-K339 WeakPolarHBondContact O-CB 3.48Å; E335-K339 PolarHBondContact O-N 3.36Å; F336-K339 PolarHBondContact O-N 2.93Å; E337-K339 PolarHBondContact O-N 3.04Å; K339-A342 PolarHBondContact O-N 3.05Å; K339-A343 VanDerWaalsContact O-CB 3.31Å; K339-A343 WeakPolarHBondContact O-CB 3.16Å; K339-A343 PolarHBondContact O-N 2.85Å; K339-W423 HydrophobicContact CB-CH2 3.91Å; K339-W423 HydrophobicContact CB-CZ3 3.99Å; K339-W423 HydrophobicContact CD-CD2 4.4Å; K339-W423 HydrophobicContact CD-CE3 4.2Å; K339-W423 HydrophobicContact CD-CH2 3.6Å; K339-W423 HydrophobicContact CD-CZ2 3.79Å; K339-W423 HydrophobicContact CD-CZ3 3.81Å; K339-W423 WeakPolarHBondContact CE-O 3.39Å; K339-W423 HydrophobicContact CG-CE3 4.17Å; K339-W423 HydrophobicContact CG-CH2 3.77Å; K339-W423 HydrophobicContact CG-CZ2 4.45Å; K339-W423 HydrophobicContact CG-CZ3 3.6Å; K339-W423 PolarHBondContact NZ-O 3.21Å
340	F	98	Very high	96.8	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-50.2	178.3	-178.4	-88.5	0	0	0	110.8	F336 E337 A342 A343 F344 L346 K360 L363 W423 L806	F336-F340 HydrophobicContact CZ-CD2 4.33Å; F336-F340 VanDerWaalsContact O-CB 3.22Å; F336-F340 WeakPolarHBondContact O-CB 3.41Å; F336-F340 PolarHBondContact O-N 3.29Å; E337-F340 PolarHBondContact O-N 3.24Å; F340-A342 VanDerWaalsContact C-N 3.34Å; F340-A342 PolarHBondContact O-N 3.34Å; F340-A343 PolarHBondContact O-N 2.92Å; F340-F344 AromaticContact CD2-CD2 3.66Å; F340-F344 HydrophobicContact CD2-CD2 3.66Å; F340-F344 AromaticContact CD2-CE2 3.96Å; F340-F344 HydrophobicContact CD2-CE2 3.96Å; F340-F344 AromaticContact CE2-CD2 3.67Å; F340-F344 HydrophobicContact CE2-CD2 3.67Å; F340-F344 HydrophobicContact CE2-CE2 4.06Å; F340-F344 HydrophobicContact CG-CD2 4.12Å; F340-F344 HydrophobicContact CZ-CD2 4.12Å; F340-F344 WeakPolarHBondContact O-CD2 3.38Å; F340-F344 PolarHBondContact O-N 2.95Å; F340-L346 HydrophobicContact CE1-CD1 4Å; F340-L346 HydrophobicContact CE1-CG 4.46Å; F340-L346 HydrophobicContact CZ-CD1 4.04Å; F340-K360 HydrophobicContact CD1-CG 4.06Å; F340-K360 HydrophobicContact CD2-CG 3.94Å; F340-K360 HydrophobicContact CE1-CG 3.84Å; F340-K360 HydrophobicContact CE2-CB 4.38Å; F340-K360 HydrophobicContact CE2-CG 3.72Å; F340-K360 HydrophobicContact CG-CG 4.12Å; F340-K360 HydrophobicContact CZ-CG 3.67Å; F340-L363 HydrophobicContact CD2-CD2 3.76Å; F340-L363 HydrophobicContact CE2-CD2 4.11Å; F340-W423 HydrophobicContact CB-CZ3 4.24Å; F340-L806 HydrophobicContact CE2-CD1 4.32Å; F340-L806 HydrophobicContact CE2-CD2 3.96Å; F340-L806 HydrophobicContact CZ-CD1 3.94Å; F340-L806 HydrophobicContact CZ-CD2 4.4Å
341	E	97.1	Very high	96.5	Very high	32 Å²	32	69.7 Å²	69.7	15%	0.15	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-37.6	179	-173.4	54.8	-155.2	0	0	111.7	E337 A343 Q345 L346 E347 E348	E337-E341 PolarHBondContact O-N 3.18Å; E341-A343 VanDerWaalsContact C-N 3.29Å; E341-A343 PolarHBondContact O-N 3.28Å; E341-Q345 VanDerWaalsContact O-CA 3.29Å; E341-Q345 WeakPolarHBondContact O-CA 3.42Å; E341-Q345 PolarHBondContact O-N 3.3Å; E341-Q345 VanDerWaalsContact OE1-CA 3.22Å; E341-Q345 WeakPolarHBondContact OE1-CA 3.37Å; E341-L346 PolarHBondContact OE1-N 3.41Å; E341-L346 PolarHBondContact OE2-N 2.86Å; E341-L346 VanDerWaalsContact OE2-N 3.11Å; E341-E347 HydrophobicContact CG-CB 4.47Å; E341-E347 HydrophobicContact CG-CG 4.4Å; E341-E347 WeakPolarHBondContact OE1-CB 3.41Å; E341-E347 PolarHBondContact OE1-N 2.76Å; E341-E347 PolarHBondContact OE2-N 2.95Å; E341-E348 PolarHBondContact OE1-N 3.4Å
342	A	97	Very high	96.3	Very high	75 Å²	75	69.4 Å²	69.4	62%	0.62	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-34.3	174.1	0	0	0	0	0	113.3	K338 K339 F340	K338-A342 VanDerWaalsContact O-CB 3.29Å; K338-A342 WeakPolarHBondContact O-CB 3.4Å; K338-A342 PolarHBondContact O-N 3.48Å; K339-A342 PolarHBondContact O-N 3.05Å; F340-A342 VanDerWaalsContact C-N 3.34Å; F340-A342 PolarHBondContact O-N 3.34Å
343	A	96.4	Very high	96.2	Very high	24 Å²	24	77.3 Å²	77.3	20%	0.198	39%	0.385	C	S	.	.	H	α-helix	trans	-83.3	-35.5	-177.7	0	0	0	0	0	113.5	K339 F340 E341 L812	K339-A343 VanDerWaalsContact O-CB 3.31Å; K339-A343 WeakPolarHBondContact O-CB 3.16Å; K339-A343 PolarHBondContact O-N 2.85Å; F340-A343 PolarHBondContact O-N 2.92Å; E341-A343 VanDerWaalsContact C-N 3.29Å; E341-A343 PolarHBondContact O-N 3.28Å; A343-L812 WeakPolarHBondContact O-CD1 3.49Å
344	F	97.8	Very high	96.1	Very high	1 Å²	1	74.9 Å²	74.9	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-119.5	-15.6	-169.2	-57.9	-69.9	0	0	0	115	F340 L346 L363 L419 H422 W423 L806 L807 A810 L812	F340-F344 AromaticContact CD2-CD2 3.66Å; F340-F344 HydrophobicContact CD2-CD2 3.66Å; F340-F344 AromaticContact CD2-CE2 3.96Å; F340-F344 HydrophobicContact CD2-CE2 3.96Å; F340-F344 AromaticContact CE2-CD2 3.67Å; F340-F344 HydrophobicContact CE2-CD2 3.67Å; F340-F344 HydrophobicContact CE2-CE2 4.06Å; F340-F344 HydrophobicContact CG-CD2 4.12Å; F340-F344 HydrophobicContact CZ-CD2 4.12Å; F340-F344 WeakPolarHBondContact O-CD2 3.38Å; F340-F344 PolarHBondContact O-N 2.95Å; F344-L346 VanDerWaalsContact C-N 3.33Å; F344-L346 HydrophobicContact CB-CG 4.22Å; F344-L346 PolarHBondContact O-N 3.45Å; F344-L363 HydrophobicContact CE2-CD2 3.86Å; F344-L363 HydrophobicContact CZ-CD2 4.45Å; F344-L419 HydrophobicContact CE1-CD1 3.82Å; F344-L419 HydrophobicContact CZ-CD1 3.87Å; F344-H422 HydrophobicContact CE1-CB 4.05Å; F344-H422 HydrophobicContact CZ-CB 4.43Å; F344-W423 HydrophobicContact CE2-CE3 4.08Å; F344-L806 HydrophobicContact CB-CD1 4.13Å; F344-L806 HydrophobicContact CD1-CD1 4.01Å; F344-L806 HydrophobicContact CD1-CD2 4.02Å; F344-L806 HydrophobicContact CD1-CG 3.79Å; F344-L806 HydrophobicContact CD2-CD1 4.43Å; F344-L806 HydrophobicContact CD2-CD2 4.09Å; F344-L806 HydrophobicContact CE1-CD2 3.82Å; F344-L806 HydrophobicContact CE1-CG 3.93Å; F344-L806 HydrophobicContact CE2-CD2 3.91Å; F344-L806 HydrophobicContact CG-CD1 3.92Å; F344-L806 HydrophobicContact CG-CD2 4.17Å; F344-L806 HydrophobicContact CG-CG 4.13Å; F344-L806 HydrophobicContact CZ-CD2 3.76Å; F344-L806 HydrophobicContact CZ-CG 4.39Å; F344-L807 HydrophobicContact CE1-CD2 3.99Å; F344-A810 HydrophobicContact CB-CB 4.08Å; F344-A810 HydrophobicContact CD1-CB 4.11Å; F344-A810 VanDerWaalsContact O-CB 3.29Å; F344-A810 WeakPolarHBondContact O-CB 3.46Å; F344-L812 HydrophobicContact CD1-CD1 3.93Å; F344-L812 HydrophobicContact CE1-CD1 4.46Å
345	Q	97.2	Very high	96	Very high	87 Å²	87	74.1 Å²	74.1	41%	0.407	37%	0.367	S	S	.	.			trans	51.6	44.4	170.4	-61	176	-28.3	0	0	113.9	E341 E348 K349	E341-Q345 VanDerWaalsContact O-CA 3.29Å; E341-Q345 WeakPolarHBondContact O-CA 3.42Å; E341-Q345 PolarHBondContact O-N 3.3Å; E341-Q345 VanDerWaalsContact OE1-CA 3.22Å; E341-Q345 WeakPolarHBondContact OE1-CA 3.37Å; Q345-E348 HydrophobicContact CB-CB 4.31Å; Q345-K349 WeakPolarHBondContact O-CB 3.45Å; Q345-K349 VanDerWaalsContact O-CG 3.27Å; Q345-K349 WeakPolarHBondContact O-CG 3.43Å; Q345-K349 PolarHBondContact O-N 2.88Å
346	L	96.5	Very high	95.8	Very high	2 Å²	2	69 Å²	69	1%	0.01	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-32.2	-174.7	-63.4	-170.8	0	0	0	112	F340 E341 F344 K349 K350 Y351 L806 M809 A810	F340-L346 HydrophobicContact CE1-CD1 4Å; F340-L346 HydrophobicContact CE1-CG 4.46Å; F340-L346 HydrophobicContact CZ-CD1 4.04Å; E341-L346 PolarHBondContact OE1-N 3.41Å; E341-L346 PolarHBondContact OE2-N 2.86Å; E341-L346 VanDerWaalsContact OE2-N 3.11Å; F344-L346 VanDerWaalsContact C-N 3.33Å; F344-L346 HydrophobicContact CB-CG 4.22Å; F344-L346 PolarHBondContact O-N 3.45Å; L346-K349 CarbonylContact O-C 3.59Å; L346-K349 PolarHBondContact O-N 3.33Å; L346-K350 PolarHBondContact O-N 3.14Å; L346-Y351 HydrophobicContact CB-CD2 4.28Å; L346-Y351 HydrophobicContact CD2-CD2 3.91Å; L346-Y351 HydrophobicContact CD2-CE2 4.16Å; L346-Y351 WeakPolarHBondContact O-CB 3.14Å; L346-Y351 PolarHBondContact O-N 2.92Å; L346-Y351 VanDerWaalsContact O-N 3.09Å; L346-L806 HydrophobicContact CD1-CD1 3.9Å; L346-M809 HydrophobicContact CD1-CE 4.45Å; L346-M809 HydrophobicContact CD2-CB 3.83Å; L346-A810 HydrophobicContact CD2-CB 4.3Å
347	E	93.6	Very high	95.7	Very high	125 Å²	125	73.5 Å²	73.5	58%	0.584	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-42.9	174.9	-61.9	-176.9	168	0	0	110.9	E341 K349 K350	E341-E347 HydrophobicContact CG-CB 4.47Å; E341-E347 HydrophobicContact CG-CG 4.4Å; E341-E347 WeakPolarHBondContact OE1-CB 3.41Å; E341-E347 PolarHBondContact OE1-N 2.76Å; E341-E347 PolarHBondContact OE2-N 2.95Å; E347-K349 PolarHBondContact O-N 3.48Å; E347-K350 WeakPolarHBondContact O-CA 3.25Å; E347-K350 PolarHBondContact O-N 2.8Å
348	E	92.8	Very high	95.7	Very high	138 Å²	138	70.6 Å²	70.6	65%	0.645	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.7	174.5	-173.8	-178.4	162	0	0	111.3	E341 Q345 K350	E341-E348 PolarHBondContact OE1-N 3.4Å; Q345-E348 HydrophobicContact CB-CB 4.31Å; E348-K350 PolarHBondContact O-N 2.96Å
349	K	94	Very high	95.7	Very high	72 Å²	72	62.7 Å²	62.7	31%	0.313	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	3.5	175.3	-71.3	175.4	-177.9	-69.8	0	114.2	Q345 L346 E347 Y351 A810 E811	Q345-K349 WeakPolarHBondContact O-CB 3.45Å; Q345-K349 VanDerWaalsContact O-CG 3.27Å; Q345-K349 WeakPolarHBondContact O-CG 3.43Å; Q345-K349 PolarHBondContact O-N 2.88Å; L346-K349 CarbonylContact O-C 3.59Å; L346-K349 PolarHBondContact O-N 3.33Å; E347-K349 PolarHBondContact O-N 3.48Å; K349-Y351 VanDerWaalsContact C-N 3.26Å; K349-Y351 HydrophobicContact CB-CD2 3.78Å; K349-Y351 HydrophobicContact CB-CE2 3.94Å; K349-Y351 HydrophobicContact CD-CE2 4.31Å; K349-Y351 PolarHBondContact O-N 2.86Å; K349-A810 WeakPolarHBondContact CE-O 3.45Å; K349-E811 IonicContact NZ-OE1 2.8Å; K349-E811 PolarHBondContact NZ-OE1 3.43Å
350	K	93.3	Very high	95.6	Very high	192 Å²	192	61 Å²	61	84%	0.835	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	33.9	176.6	-53.2	179.7	-178.5	177.2	0	113.5	L346 E347 E348	L346-K350 PolarHBondContact O-N 3.14Å; E347-K350 WeakPolarHBondContact O-CA 3.25Å; E347-K350 PolarHBondContact O-N 2.8Å; E348-K350 PolarHBondContact O-N 2.96Å
351	Y	92.5	Very high	95.6	Very high	51 Å²	51	61.1 Å²	61.1	20%	0.2	31%	0.309	C	S	.	.			trans	-65.9	141.2	171.3	-86.8	-75.8	0	0	0	111	L346 K349 F355 R764 M809	L346-Y351 HydrophobicContact CB-CD2 4.28Å; L346-Y351 HydrophobicContact CD2-CD2 3.91Å; L346-Y351 HydrophobicContact CD2-CE2 4.16Å; L346-Y351 WeakPolarHBondContact O-CB 3.14Å; L346-Y351 PolarHBondContact O-N 2.92Å; L346-Y351 VanDerWaalsContact O-N 3.09Å; K349-Y351 VanDerWaalsContact C-N 3.26Å; K349-Y351 HydrophobicContact CB-CD2 3.78Å; K349-Y351 HydrophobicContact CB-CE2 3.94Å; K349-Y351 HydrophobicContact CD-CE2 4.31Å; K349-Y351 PolarHBondContact O-N 2.86Å; Y351-F355 HydrophobicContact CD1-CB 3.57Å; Y351-F355 AromaticContact CD1-CD1 3.74Å; Y351-F355 HydrophobicContact CD1-CD1 3.74Å; Y351-F355 HydrophobicContact CD1-CD2 4.03Å; Y351-F355 HydrophobicContact CD1-CE1 4.46Å; Y351-F355 AromaticContact CD1-CG 3.52Å; Y351-F355 HydrophobicContact CD1-CG 3.52Å; Y351-F355 HydrophobicContact CE1-CB 4.39Å; Y351-F355 AromaticContact CE1-CD1 3.84Å; Y351-F355 HydrophobicContact CE1-CD1 3.84Å; Y351-F355 HydrophobicContact CE1-CE1 4.33Å; Y351-F355 HydrophobicContact CE1-CG 4.11Å; Y351-F355 HydrophobicContact CG-CB 4.09Å; Y351-F355 HydrophobicContact CG-CG 4.47Å; Y351-R764 VanDerWaalsContact OH-CZ 3.3Å; Y351-R764 PolarHBondContact OH-NH1 3.41Å; Y351-R764 PolarHBondContact OH-NH2 2.88Å; Y351-M809 HydrophobicContact CE1-CG 4.25Å; Y351-M809 HydrophobicContact CE2-CB 4.13Å; Y351-M809 VanDerWaalsContact CE2-O 3.25Å; Y351-M809 WeakPolarHBondContact CE2-O 3.47Å; Y351-M809 PolarHBondContact OH-O 2.64Å
352	A	93.6	Very high	95.6	Very high	57 Å²	57	59.6 Å²	59.6	47%	0.471	30%	0.302	S	S	.	.			trans	-66.1	153.3	169.7	0	0	0	0	0	110.6	V354 F355	A352-V354 HydrophobicContact CB-CG1 4.37Å; A352-V354 PolarHBondContact O-N 2.96Å; A352-F355 HydrophobicContact CB-CD2 4.07Å; A352-F355 HydrophobicContact CB-CE2 4.41Å; A352-F355 WeakPolarHBondContact O-CB 3.49Å; A352-F355 PolarHBondContact O-N 3.43Å
353	E	94.5	Very high	95.7	Very high	171 Å²	171	56 Å²	56	80%	0.799	27%	0.272	S	S	*	.	H	α-helix	trans	-51.3	-36.7	-175.1	-170.6	-174.1	166.2	0	0	113.4	F355 S356 K357	E353-F355 VanDerWaalsContact C-N 3.28Å; E353-F355 PolarHBondContact O-N 3.02Å; E353-S356 PolarHBondContact O-N 3.28Å; E353-K357 PolarHBondContact O-N 3.39Å
354	V	96	Very high	95.7	Very high	59 Å²	59	54.9 Å²	54.9	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-37	178.3	67.1	0	0	0	0	113.1	A352 K357 V358 V772 V776	A352-V354 HydrophobicContact CB-CG1 4.37Å; A352-V354 PolarHBondContact O-N 2.96Å; V354-K357 PolarHBondContact O-N 3.11Å; V354-V358 WeakPolarHBondContact O-CG2 3.48Å; V354-V358 PolarHBondContact O-N 2.85Å; V354-V772 HydrophobicContact CG2-CG1 4.36Å; V354-V776 HydrophobicContact CG2-CG2 3.46Å; V354-V776 VanDerWaalsContact CG2-CG2 3.46Å
355	F	96.3	Very high	95.7	Very high	49 Å²	49	55 Å²	55	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-71.8	-42.2	178.2	-69.1	-96.4	0	0	0	110.9	Y351 A352 E353 K357 V358 G359 V768 V772 M809	Y351-F355 HydrophobicContact CD1-CB 3.57Å; Y351-F355 AromaticContact CD1-CD1 3.74Å; Y351-F355 HydrophobicContact CD1-CD1 3.74Å; Y351-F355 HydrophobicContact CD1-CD2 4.03Å; Y351-F355 HydrophobicContact CD1-CE1 4.46Å; Y351-F355 AromaticContact CD1-CG 3.52Å; Y351-F355 HydrophobicContact CD1-CG 3.52Å; Y351-F355 HydrophobicContact CE1-CB 4.39Å; Y351-F355 AromaticContact CE1-CD1 3.84Å; Y351-F355 HydrophobicContact CE1-CD1 3.84Å; Y351-F355 HydrophobicContact CE1-CE1 4.33Å; Y351-F355 HydrophobicContact CE1-CG 4.11Å; Y351-F355 HydrophobicContact CG-CB 4.09Å; Y351-F355 HydrophobicContact CG-CG 4.47Å; A352-F355 HydrophobicContact CB-CD2 4.07Å; A352-F355 HydrophobicContact CB-CE2 4.41Å; A352-F355 WeakPolarHBondContact O-CB 3.49Å; A352-F355 PolarHBondContact O-N 3.43Å; E353-F355 VanDerWaalsContact C-N 3.28Å; E353-F355 PolarHBondContact O-N 3.02Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 3.12Å; F355-V358 PolarHBondContact O-N 2.91Å; F355-G359 PolarHBondContact O-N 3.44Å; F355-V768 HydrophobicContact CD1-CG1 4.07Å; F355-V768 HydrophobicContact CE1-CG1 3.92Å; F355-V772 HydrophobicContact CD1-CB 4.38Å; F355-V772 HydrophobicContact CD1-CG1 4.24Å; F355-V772 HydrophobicContact CD1-CG2 3.67Å; F355-V772 HydrophobicContact CE1-CB 4.14Å; F355-V772 HydrophobicContact CE1-CG1 4.08Å; F355-V772 HydrophobicContact CE1-CG2 3.84Å; F355-V772 HydrophobicContact CZ-CG1 4.32Å; F355-M809 HydrophobicContact CB-SD 3.87Å; F355-M809 HydrophobicContact CD1-SD 3.78Å; F355-M809 HydrophobicContact CG-SD 4.33Å
356	S	95.4	Very high	95.7	Very high	13 Å²	13	51 Å²	51	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-42.7	173.6	-177.1	0	0	0	0	111	E353 V358 G359 K360	E353-S356 PolarHBondContact O-N 3.28Å; S356-V358 PolarHBondContact O-N 2.93Å; S356-G359 PolarHBondContact O-N 2.96Å; S356-K360 WeakPolarHBondContact O-CG 3.5Å; S356-K360 PolarHBondContact O-N 3.42Å; S356-K360 WeakPolarHBondContact OG-CE 3.49Å
357	K	95.4	Very high	95.7	Very high	99 Å²	99	50.9 Å²	50.9	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-43.6	174.8	-173.6	171.5	-175.2	166.5	0	112.9	E353 V354 F355 G359 H361	E353-K357 PolarHBondContact O-N 3.39Å; V354-K357 PolarHBondContact O-N 3.11Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 3.12Å; K357-G359 VanDerWaalsContact C-N 3.33Å; K357-H361 VanDerWaalsContact O-CB 3.29Å; K357-H361 WeakPolarHBondContact O-CB 3.26Å; K357-H361 PolarHBondContact O-N 3.29Å
358	V	96.9	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.3	179.4	0	0	0	0	110.7	V354 F355 S356 H361 A362 V772 Y775 L781	V354-V358 WeakPolarHBondContact O-CG2 3.48Å; V354-V358 PolarHBondContact O-N 2.85Å; F355-V358 PolarHBondContact O-N 2.91Å; S356-V358 PolarHBondContact O-N 2.93Å; V358-H361 PolarHBondContact O-N 3.28Å; V358-A362 WeakPolarHBondContact O-CB 3.29Å; V358-A362 PolarHBondContact O-N 2.94Å; V358-V772 HydrophobicContact CB-CG2 4.28Å; V358-V772 HydrophobicContact CG1-CG2 4.17Å; V358-V772 HydrophobicContact CG2-CB 4.43Å; V358-V772 HydrophobicContact CG2-CG1 4.08Å; V358-V772 HydrophobicContact CG2-CG2 4.09Å; V358-Y775 HydrophobicContact CB-CD1 4.27Å; V358-Y775 HydrophobicContact CG1-CD1 4.45Å; V358-Y775 HydrophobicContact CG1-CG 4.36Å; V358-Y775 HydrophobicContact CG2-CD1 3.27Å; V358-Y775 HydrophobicContact CG2-CE1 3.76Å; V358-Y775 HydrophobicContact CG2-CG 3.93Å; V358-L781 HydrophobicContact CG1-CD2 4.3Å
359	G	97.2	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-51.3	176.6	0	0	0	0	0	112.6	F355 S356 K357 H361 A362 L363	F355-G359 PolarHBondContact O-N 3.44Å; S356-G359 PolarHBondContact O-N 2.96Å; K357-G359 VanDerWaalsContact C-N 3.33Å; G359-H361 VanDerWaalsContact C-N 3.34Å; G359-H361 PolarHBondContact O-N 3.2Å; G359-A362 WeakPolarHBondContact O-CB 3.35Å; G359-A362 PolarHBondContact O-N 3.44Å; G359-L363 PolarHBondContact O-N 3.47Å
360	K	97.3	Very high	96.2	Very high	35 Å²	35	35 Å²	35	15%	0.152	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-46.7	175	-68.9	173.5	-171.4	177.7	0	111	F336 E337 F340 S356 A362 L363 S364	F336-K360 HydrophobicContact CE1-CB 4.49Å; F336-K360 HydrophobicContact CE1-CD 4.27Å; F336-K360 HydrophobicContact CE1-CG 4.13Å; F336-K360 HydrophobicContact CZ-CG 4.46Å; E337-K360 WeakPolarHBondContact OE1-CE 3.5Å; E337-K360 IonicContact OE1-NZ 2.9Å; E337-K360 PolarHBondContact OE1-NZ 3.34Å; E337-K360 WeakPolarHBondContact OE2-CE 3.36Å; E337-K360 IonicContact OE2-NZ 3.43Å; E337-K360 PolarHBondContact OE2-NZ 2.82Å; F340-K360 HydrophobicContact CD1-CG 4.06Å; F340-K360 HydrophobicContact CD2-CG 3.94Å; F340-K360 HydrophobicContact CE1-CG 3.84Å; F340-K360 HydrophobicContact CE2-CB 4.38Å; F340-K360 HydrophobicContact CE2-CG 3.72Å; F340-K360 HydrophobicContact CG-CG 4.12Å; F340-K360 HydrophobicContact CZ-CG 3.67Å; S356-K360 WeakPolarHBondContact O-CG 3.5Å; S356-K360 PolarHBondContact O-N 3.42Å; S356-K360 WeakPolarHBondContact OG-CE 3.49Å; K360-A362 VanDerWaalsContact C-N 3.35Å; K360-A362 PolarHBondContact O-N 3.35Å; K360-L363 PolarHBondContact O-N 2.83Å; K360-S364 WeakPolarHBondContact O-CB 3.16Å; K360-S364 PolarHBondContact O-N 3.15Å; K360-S364 PolarHBondContact O-OG 2.9Å
361	H	96.5	Very high	96.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-57.3	-44.2	175.5	169.5	78.9	0	0	0	113	S140 W141 K357 V358 G359 S365 Y775	S140-H361 WeakPolarHBondContact CB-CE1 3.48Å; W141-H361 PolarHBondContact O-ND1 3.35Å; K357-H361 VanDerWaalsContact O-CB 3.29Å; K357-H361 WeakPolarHBondContact O-CB 3.26Å; K357-H361 PolarHBondContact O-N 3.29Å; V358-H361 PolarHBondContact O-N 3.28Å; G359-H361 VanDerWaalsContact C-N 3.34Å; G359-H361 PolarHBondContact O-N 3.2Å; H361-S365 PolarHBondContact CE1-OG 3.16Å; H361-S365 VanDerWaalsContact CE1-OG 3.27Å; H361-S365 PolarHBondContact ND1-OG 3.41Å; H361-S365 WeakPolarHBondContact O-CB 3.14Å; H361-S365 PolarHBondContact O-N 2.94Å; H361-S365 PolarHBondContact O-OG 2.94Å; H361-Y775 HydrophobicContact CB-CE2 4.29Å; H361-Y775 AromaticContact CD2-CD2 3.89Å; H361-Y775 AromaticContact CD2-CE2 3.35Å; H361-Y775 WeakPolarHBondContact CD2-CE2 3.34Å; H361-Y775 AromaticContact CE1-CE2 3.84Å; H361-Y775 AromaticContact CG-CE2 3.57Å; H361-Y775 AromaticContact CG-CZ 3.85Å; H361-Y775 AromaticContact ND1-CE2 3.88Å; H361-Y775 AromaticContact NE2-CE2 3.55Å
362	A	97.6	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-51.5	179.2	0	0	0	0	0	111.5	V358 G359 K360 M366 L781 S803	V358-A362 WeakPolarHBondContact O-CB 3.29Å; V358-A362 PolarHBondContact O-N 2.94Å; G359-A362 WeakPolarHBondContact O-CB 3.35Å; G359-A362 PolarHBondContact O-N 3.44Å; K360-A362 VanDerWaalsContact C-N 3.35Å; K360-A362 PolarHBondContact O-N 3.35Å; A362-M366 WeakPolarHBondContact O-CB 3.46Å; A362-M366 PolarHBondContact O-N 2.76Å; A362-L781 HydrophobicContact CB-CD1 3.9Å; A362-S803 PolarHBondContact O-OG 3.27Å
363	L	98.2	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-51.3	177	175.9	66.8	0	0	0	111.8	F336 F340 F344 G359 K360 S365 M366 L367 L419 W423 L806	F336-L363 HydrophobicContact CE2-CD2 4.22Å; F336-L363 HydrophobicContact CZ-CD2 4.44Å; F340-L363 HydrophobicContact CD2-CD2 3.76Å; F340-L363 HydrophobicContact CE2-CD2 4.11Å; F344-L363 HydrophobicContact CE2-CD2 3.86Å; F344-L363 HydrophobicContact CZ-CD2 4.45Å; G359-L363 PolarHBondContact O-N 3.47Å; K360-L363 PolarHBondContact O-N 2.83Å; L363-S365 VanDerWaalsContact C-N 3.32Å; L363-S365 PolarHBondContact O-N 3.44Å; L363-M366 WeakPolarHBondContact O-CB 3.17Å; L363-M366 PolarHBondContact O-N 3.42Å; L363-L367 HydrophobicContact CD1-CD1 3.81Å; L363-L367 HydrophobicContact CD1-CG 4.22Å; L363-L367 HydrophobicContact CD2-CD1 4.43Å; L363-L367 HydrophobicContact CG-CD1 3.77Å; L363-L367 WeakPolarHBondContact O-CG 3.28Å; L363-L367 PolarHBondContact O-N 3.23Å; L363-L419 HydrophobicContact CD1-CD1 4.42Å; L363-L419 HydrophobicContact CD1-CD2 4.36Å; L363-L419 HydrophobicContact CD1-CG 4.28Å; L363-W423 HydrophobicContact CD1-CB 3.99Å; L363-W423 HydrophobicContact CD1-CD2 4.29Å; L363-W423 HydrophobicContact CD1-CG 4Å; L363-W423 HydrophobicContact CD2-CD2 3.84Å; L363-W423 HydrophobicContact CD2-CE3 3.6Å; L363-W423 HydrophobicContact CD2-CG 4.42Å; L363-W423 HydrophobicContact CD2-CH2 4.28Å; L363-W423 HydrophobicContact CD2-CZ3 3.82Å; L363-L806 HydrophobicContact CB-CD2 3.92Å
364	S	98	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.1	-34.2	-175.8	-63.7	0	0	0	0	112.2	E143 H144 K360 G368	E143-S364 WeakPolarHBondContact CA-OG 3.44Å; H144-S364 WeakPolarHBondContact CB-O 3.49Å; H144-S364 VanDerWaalsContact N-CB 3.3Å; H144-S364 PolarHBondContact N-OG 3.24Å; H144-S364 PolarHBondContact O-OG 2.94Å; K360-S364 WeakPolarHBondContact O-CB 3.16Å; K360-S364 PolarHBondContact O-N 3.15Å; K360-S364 PolarHBondContact O-OG 2.9Å; S364-G368 PolarHBondContact O-N 3.41Å
365	S	96.2	Very high	97	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-71.5	-35.8	174.7	-63.1	0	0	0	0	112.5	H361 L363 G368 G369 S799	H361-S365 PolarHBondContact CE1-OG 3.16Å; H361-S365 VanDerWaalsContact CE1-OG 3.27Å; H361-S365 PolarHBondContact ND1-OG 3.41Å; H361-S365 WeakPolarHBondContact O-CB 3.14Å; H361-S365 PolarHBondContact O-N 2.94Å; H361-S365 PolarHBondContact O-OG 2.94Å; L363-S365 VanDerWaalsContact C-N 3.32Å; L363-S365 PolarHBondContact O-N 3.44Å; S365-G368 CarbonylContact O-C 3.43Å; S365-G369 PolarHBondContact O-N 3.1Å; S365-G369 VanDerWaalsContact O-N 3.09Å; S365-S799 PolarHBondContact O-OG 3.35Å
366	M	97.4	Very high	97	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-51.7	170.5	-178	70	81.2	0	0	111.2	A362 L363 G368 G369 T398 H416 L419 L420 S799 G800	A362-M366 WeakPolarHBondContact O-CB 3.46Å; A362-M366 PolarHBondContact O-N 2.76Å; L363-M366 WeakPolarHBondContact O-CB 3.17Å; L363-M366 PolarHBondContact O-N 3.42Å; M366-G368 PolarHBondContact O-N 2.96Å; M366-G369 WeakPolarHBondContact O-CA 3.48Å; M366-G369 PolarHBondContact O-N 3.32Å; M366-T398 HydrophobicContact CG-CG2 4.29Å; M366-T398 HydrophobicContact SD-CG2 4.06Å; M366-H416 HydrophobicContact CE-CB 3.65Å; M366-H416 VanDerWaalsContact CE-CD2 3.49Å; M366-H416 WeakPolarHBondContact CE-CD2 3.5Å; M366-H416 HydrophobicContact SD-CB 3.64Å; M366-H416 VanDerWaalsContact SD-CG 3.57Å; M366-L419 HydrophobicContact CB-CD2 4.41Å; M366-L419 HydrophobicContact CE-CD2 4.49Å; M366-L420 HydrophobicContact CG-CD2 3.91Å; M366-L420 HydrophobicContact CG-CG 4.3Å; M366-S799 WeakPolarHBondContact CE-O 3.36Å; M366-S799 VanDerWaalsContact SD-O 3.4Å; M366-G800 WeakPolarHBondContact CE-O 3.32Å
367	L	97.7	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-41.5	179.6	-70.3	167.3	0	0	0	111.9	H144 L363 G369 L370 L420 W423 L427	H144-L367 WeakPolarHBondContact O-CD1 3.38Å; L363-L367 HydrophobicContact CD1-CD1 3.81Å; L363-L367 HydrophobicContact CD1-CG 4.22Å; L363-L367 HydrophobicContact CD2-CD1 4.43Å; L363-L367 HydrophobicContact CG-CD1 3.77Å; L363-L367 WeakPolarHBondContact O-CG 3.28Å; L363-L367 PolarHBondContact O-N 3.23Å; L367-G369 PolarHBondContact O-N 3.4Å; L367-L370 HydrophobicContact CD2-CD1 4.26Å; L367-L370 VanDerWaalsContact O-CB 3.26Å; L367-L370 WeakPolarHBondContact O-CB 3.31Å; L367-L370 WeakPolarHBondContact O-CD1 3.41Å; L367-L370 WeakPolarHBondContact O-CG 3.11Å; L367-L370 PolarHBondContact O-N 2.76Å; L367-L420 HydrophobicContact CD2-CD2 3.62Å; L367-L420 HydrophobicContact CG-CD2 4.15Å; L367-W423 HydrophobicContact CD1-CG 4.48Å; L367-L427 HydrophobicContact CD2-CD2 3.98Å
368	G	96.5	Very high	97.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	5.1	173.3	0	0	0	0	0	113.9	W141 S364 S365 M366 K402	W141-G368 PolarHBondContact NE1-O 2.71Å; S364-G368 PolarHBondContact O-N 3.41Å; S365-G368 CarbonylContact O-C 3.43Å; M366-G368 PolarHBondContact O-N 2.96Å; G368-K402 WeakPolarHBondContact O-CE 3.29Å; G368-K402 PolarHBondContact O-NZ 3.22Å
369	G	96.1	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-5.6	166.7	0	0	0	0	0	113.2	S365 M366 L367 S371 V399	S365-G369 PolarHBondContact O-N 3.1Å; S365-G369 VanDerWaalsContact O-N 3.09Å; M366-G369 WeakPolarHBondContact O-CA 3.48Å; M366-G369 PolarHBondContact O-N 3.32Å; L367-G369 PolarHBondContact O-N 3.4Å; G369-S371 PolarHBondContact O-N 3.1Å; G369-S371 PolarHBondContact O-OG 3.07Å; G369-V399 PolarHBondContact O-N 3.42Å
370	L	97.7	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.			trans	-53.6	134.1	170.6	-71.9	167.5	0	0	0	109.6	Y90 L367 F396 S397 T398 L427 I431	Y90-L370 WeakPolarHBondContact CA-O 3.48Å; Y90-L370 HydrophobicContact CD1-CB 4.02Å; Y90-L370 HydrophobicContact CE1-CB 4.01Å; L367-L370 HydrophobicContact CD2-CD1 4.26Å; L367-L370 VanDerWaalsContact O-CB 3.26Å; L367-L370 WeakPolarHBondContact O-CB 3.31Å; L367-L370 WeakPolarHBondContact O-CD1 3.41Å; L367-L370 WeakPolarHBondContact O-CG 3.11Å; L367-L370 PolarHBondContact O-N 2.76Å; L370-F396 HydrophobicContact CB-CE2 4.3Å; L370-F396 HydrophobicContact CB-CZ 4.35Å; L370-F396 HydrophobicContact CD1-CZ 4.27Å; L370-F396 HydrophobicContact CD2-CE1 4.35Å; L370-F396 HydrophobicContact CD2-CE2 4.46Å; L370-F396 HydrophobicContact CD2-CZ 4Å; L370-F396 HydrophobicContact CG-CZ 4.45Å; L370-S397 CarbonylContact C-O 3.51Å; L370-S397 WeakPolarHBondContact CA-O 3.33Å; L370-T398 HydrophobicContact CD2-CG2 3.63Å; L370-T398 HydrophobicContact CG-CG2 4.22Å; L370-L427 HydrophobicContact CD1-CD2 4.31Å; L370-I431 HydrophobicContact CD2-CD1 3.68Å
371	S	97.5	Very high	97.2	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.021	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.6	-177.4	-64.1	0	0	0	0	110	Y90 A92 G369 F373 F396 S397	Y90-S371 WeakPolarHBondContact O-CA 3.47Å; A92-S371 WeakPolarHBondContact CB-OG 3.38Å; G369-S371 PolarHBondContact O-N 3.1Å; G369-S371 PolarHBondContact O-OG 3.07Å; S371-F373 VanDerWaalsContact CB-CE2 3.41Å; S371-F396 WeakPolarHBondContact O-CD2 3.39Å; S371-S397 PolarHBondContact N-O 2.93Å; S371-S397 PolarHBondContact O-N 2.81Å
372	Y	97.6	Very high	97.2	Very high	27 Å²	27	22.7 Å²	22.7	11%	0.106	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121	174.9	175.4	-96.8	0	0	0	108.2	Y90 R101 P103 H374 E394 F396	Y90-Y372 PolarHBondContact O-N 3.43Å; R101-Y372 HydrophobicContact CB-CD2 4.19Å; R101-Y372 HydrophobicContact CB-CE2 4.47Å; R101-Y372 HydrophobicContact CB-CG 4.5Å; R101-Y372 HydrophobicContact CG-CD2 4.23Å; R101-Y372 HydrophobicContact CG-CG 4.42Å; P103-Y372 VanDerWaalsContact CD-OH 3.24Å; P103-Y372 WeakPolarHBondContact CD-OH 3.43Å; Y372-H374 HydrophobicContact CE1-CB 4.21Å; Y372-E394 HydrophobicContact CE2-CB 4.38Å; Y372-E394 WeakPolarHBondContact OH-CG 3.49Å; Y372-E394 PolarHBondContact OH-OE2 2.56Å; Y372-F396 HydrophobicContact CD2-CB 4.43Å
373	F	97.6	Very high	97.1	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.083	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.3	-177.5	-53.2	-84.2	0	0	0	110.2	S371 E394 L395 V399 P406 L451 A455	S371-F373 VanDerWaalsContact CB-CE2 3.41Å; F373-E394 CarbonylContact O-C 3.47Å; F373-E394 WeakPolarHBondContact O-CA 3.46Å; F373-L395 HydrophobicContact CB-CB 4.42Å; F373-L395 HydrophobicContact CD2-CD2 4.44Å; F373-L395 HydrophobicContact CD2-CG 4.39Å; F373-L395 PolarHBondContact N-O 3.41Å; F373-L395 PolarHBondContact O-N 2.94Å; F373-V399 HydrophobicContact CE2-CG1 4.14Å; F373-V399 HydrophobicContact CZ-CG1 3.72Å; F373-P406 WeakPolarHBondContact CE1-O 3.49Å; F373-L451 HydrophobicContact CB-CB 3.97Å; F373-L451 HydrophobicContact CB-CD1 4.32Å; F373-A455 HydrophobicContact CD1-CB 4.37Å; F373-A455 HydrophobicContact CE1-CB 4.46Å
374	H	96.4	Very high	97	Very high	71 Å²	71	29.4 Å²	29.4	33%	0.329	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.5	175	163.6	-101.3	0	0	0	110.3	P103 Y372 L393 E394 L451 G452	P103-H374 HydrophobicContact CB-CB 4.29Å; P103-H374 WeakPolarHBondContact CB-ND1 3.09Å; P103-H374 HydrophobicContact CG-CB 4.09Å; Y372-H374 HydrophobicContact CE1-CB 4.21Å; H374-L393 WeakPolarHBondContact CA-O 3.3Å; H374-L393 PolarHBondContact CD2-O 2.91Å; H374-E394 HydrophobicContact CB-CG 4.43Å; H374-L451 CarbonylContact O-C 3.55Å; H374-G452 PolarHBondContact O-N 2.89Å
375	G	96.6	Very high	96.8	Very high	13 Å²	13	35.6 Å²	35.6	13%	0.134	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-158.9	174.5	0	0	0	0	0	113.2	P392 L393	G375-P392 CarbonylContact O-C 3.59Å; G375-P392 WeakPolarHBondContact O-CA 3.49Å; G375-L393 PolarHBondContact N-O 2.81Å; G375-L393 PolarHBondContact O-N 3.03Å
376	R	97.4	Very high	96.8	Very high	145 Å²	145	37.9 Å²	37.9	55%	0.547	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.5	176.9	-72.1	175.7	161.9	177.7	-1.7	110	L389 Y390	R376-L389 HydrophobicContact CB-CB 4.4Å; R376-L389 HydrophobicContact CB-CD2 4.45Å; R376-Y390 CarbonylContact C-O 3.5Å; R376-Y390 VanDerWaalsContact CA-O 3.29Å; R376-Y390 WeakPolarHBondContact CA-O 3.45Å
377	A	97.2	Very high	96.8	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.8	170.5	0	0	0	0	0	110.3	V379 L389 Y390 L393 L451	A377-V379 HydrophobicContact CB-CG1 4.24Å; A377-L389 WeakPolarHBondContact O-CA 3.48Å; A377-Y390 PolarHBondContact N-O 3.23Å; A377-Y390 PolarHBondContact O-N 3.26Å; A377-L393 HydrophobicContact CB-CD1 4.14Å; A377-L451 HydrophobicContact CB-CD2 3.99Å
378	I	97.9	Very high	96.8	Very high	40 Å²	40	42.6 Å²	42.6	21%	0.205	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.5	172.1	-65	169.3	0	0	0	108	P387 L389 W461 V464 T465 Q466	I378-P387 HydrophobicContact CG2-CB 3.48Å; I378-P387 VanDerWaalsContact CG2-CB 3.48Å; I378-L389 HydrophobicContact CG1-CD2 3.92Å; I378-W461 HydrophobicContact CD1-CZ3 4.42Å; I378-V464 HydrophobicContact CB-CG1 4.14Å; I378-V464 HydrophobicContact CD1-CG1 3.7Å; I378-V464 HydrophobicContact CG1-CG1 4.37Å; I378-T465 HydrophobicContact CG2-CG2 4.38Å; I378-T465 WeakPolarHBondContact CG2-OG1 3.19Å; I378-T465 WeakPolarHBondContact O-CA 3.36Å; I378-Q466 PolarHBondContact O-N 2.92Å
379	V	97.9	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.6	-173.3	-55.3	0	0	0	0	112.1	I64 V65 A377 P387 V388 Y390 W444 Q466	I64-V379 HydrophobicContact CD1-CB 3.79Å; I64-V379 HydrophobicContact CD1-CG2 3.87Å; I64-V379 HydrophobicContact CG1-CB 4.16Å; I64-V379 HydrophobicContact CG1-CG2 3.84Å; I64-V379 HydrophobicContact CG2-CG2 4.2Å; V65-V379 HydrophobicContact CG1-CG2 3.99Å; A377-V379 HydrophobicContact CB-CG1 4.24Å; V379-P387 WeakPolarHBondContact O-CA 3.5Å; V379-V388 HydrophobicContact CG2-CG2 3.91Å; V379-V388 PolarHBondContact N-O 3.22Å; V379-V388 WeakPolarHBondContact O-CG2 3.48Å; V379-V388 PolarHBondContact O-N 3.27Å; V379-Y390 HydrophobicContact CG1-CD1 4.29Å; V379-W444 HydrophobicContact CB-CH2 4.14Å; V379-W444 HydrophobicContact CB-CZ3 4.27Å; V379-W444 HydrophobicContact CG1-CH2 3.78Å; V379-W444 HydrophobicContact CG1-CZ3 3.97Å; V379-Q466 CarbonylContact C-O 3.58Å; V379-Q466 WeakPolarHBondContact CA-O 2.94Å; V379-Q466 HydrophobicContact CG1-CB 4.48Å
380	Q	97.5	Very high	96.9	Very high	32 Å²	32	47.2 Å²	47.2	15%	0.15	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	125.1	177	-168.9	-177.9	16.2	0	0	111.3	N384 S385 T465 Q466 R467	Q380-N384 HydrophobicContact CG-CB 4.17Å; Q380-N384 PolarHBondContact NE2-O 2.93Å; Q380-S385 PolarHBondContact NE2-O 3.5Å; Q380-T465 HydrophobicContact CB-CG2 3.71Å; Q380-Q466 PolarHBondContact N-O 3.39Å; Q380-R467 WeakPolarHBondContact O-CA 3.32Å; Q380-R467 WeakPolarHBondContact O-CG 3.42Å
381	S	96.6	Very high	96.8	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	27%	0.266	C	S	.	.			trans	-95.6	173.9	169.7	81.8	0	0	0	0	111.4	Y383 N384 N468	S381-Y383 PolarHBondContact O-N 2.92Å; S381-Y383 VanDerWaalsContact O-N 3.16Å; S381-Y383 PolarHBondContact OG-N 3.28Å; S381-N384 WeakPolarHBondContact CB-OD1 3.23Å; S381-N384 PolarHBondContact N-OD1 3.38Å; S381-N384 PolarHBondContact O-N 3.33Å; S381-N384 VanDerWaalsContact O-N 3.16Å; S381-N384 PolarHBondContact OG-OD1 3.38Å; S381-N468 WeakPolarHBondContact CA-OD1 3.49Å; S381-N468 WeakPolarHBondContact CB-OD1 3.25Å
382	V	95	Very high	96.8	Very high	107 Å²	107	51.1 Å²	51.1	65%	0.648	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16	171.4	-60.1	0	0	0	0	113.6	T469	V382-T469 HydrophobicContact CG1-CG2 4.1Å
383	Y	96.1	Very high	96.7	Very high	122 Å²	122	50.2 Å²	50.2	48%	0.478	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-5.1	179.4	-52.4	-70.7	0	0	0	113	L60 S381	L60-Y383 HydrophobicContact CB-CD1 3.98Å; L60-Y383 HydrophobicContact CB-CD2 3.78Å; L60-Y383 HydrophobicContact CB-CE1 4.27Å; L60-Y383 HydrophobicContact CB-CE2 4.08Å; L60-Y383 HydrophobicContact CB-CG 3.72Å; L60-Y383 HydrophobicContact CD1-CD1 4.1Å; L60-Y383 HydrophobicContact CD1-CE1 3.71Å; L60-Y383 HydrophobicContact CD1-CE2 4.44Å; L60-Y383 HydrophobicContact CD2-CD2 4.49Å; L60-Y383 HydrophobicContact CD2-CE2 3.97Å; L60-Y383 HydrophobicContact CG-CE1 4.43Å; L60-Y383 HydrophobicContact CG-CE2 4.39Å; S381-Y383 PolarHBondContact O-N 2.92Å; S381-Y383 VanDerWaalsContact O-N 3.16Å; S381-Y383 PolarHBondContact OG-N 3.28Å
384	N	95.8	Very high	96.7	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.107	29%	0.288	C	S	.	.			trans	-104.9	120.6	175.9	-53.8	98	0	0	0	109.9	P61 I64 Q380 S381 A386	P61-N384 PolarHBondContact O-ND2 2.89Å; P61-N384 VanDerWaalsContact O-ND2 3.14Å; I64-N384 WeakPolarHBondContact CG2-OD1 3.13Å; Q380-N384 HydrophobicContact CG-CB 4.17Å; Q380-N384 PolarHBondContact NE2-O 2.93Å; S381-N384 WeakPolarHBondContact CB-OD1 3.23Å; S381-N384 PolarHBondContact N-OD1 3.38Å; S381-N384 PolarHBondContact O-N 3.33Å; S381-N384 VanDerWaalsContact O-N 3.16Å; S381-N384 PolarHBondContact OG-OD1 3.38Å; N384-A386 WeakPolarHBondContact CB-O 3.48Å; N384-A386 PolarHBondContact O-N 2.6Å
385	S	94.3	Very high	96.8	Very high	129 Å²	129	48.1 Å²	48.1	90%	0.902	27%	0.273	S	S	*	.	S	Bend	trans	-68.3	-23.4	176.1	52.3	0	0	0	0	113.4	Q380	Q380-S385 PolarHBondContact NE2-O 3.5Å
386	A	96	Very high	96.9	Very high	52 Å²	52	47.5 Å²	47.5	43%	0.43	27%	0.266	S	S	.	.	S	Bend	trans	-136.7	160.6	177.7	0	0	0	0	0	111	N384	N384-A386 WeakPolarHBondContact CB-O 3.48Å; N384-A386 PolarHBondContact O-N 2.6Å
387	P	97.1	Very high	96.9	Very high	55 Å²	55	40.6 Å²	40.6	36%	0.357	24%	0.24	S	C	.	.			trans	-58.6	143.7	173.2	-21.5	32.8	0	0	0	112.5	I378 V379 T465	I378-P387 HydrophobicContact CG2-CB 3.48Å; I378-P387 VanDerWaalsContact CG2-CB 3.48Å; V379-P387 WeakPolarHBondContact O-CA 3.5Å; P387-T465 HydrophobicContact CB-CG2 4.04Å; P387-T465 HydrophobicContact CG-CG2 4.02Å
388	V	97.7	Very high	96.9	Very high	46 Å²	46	40.5 Å²	40.5	28%	0.279	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.5	-179.9	-64.6	0	0	0	0	110.7	I64 V65 V379	I64-V388 HydrophobicContact CG2-CG2 4.28Å; V65-V388 HydrophobicContact CG1-CB 4.4Å; V65-V388 HydrophobicContact CG1-CG2 3.56Å; V379-V388 HydrophobicContact CG2-CG2 3.91Å; V379-V388 PolarHBondContact N-O 3.22Å; V379-V388 WeakPolarHBondContact O-CG2 3.48Å; V379-V388 PolarHBondContact O-N 3.27Å
389	L	97.7	Very high	96.9	Very high	98 Å²	98	38.7 Å²	38.7	51%	0.513	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.1	-179.9	-61.3	178.1	0	0	0	111.7	V65 R376 A377 I378	V65-L389 WeakPolarHBondContact CG1-O 3.44Å; R376-L389 HydrophobicContact CB-CB 4.4Å; R376-L389 HydrophobicContact CB-CD2 4.45Å; A377-L389 WeakPolarHBondContact O-CA 3.48Å; I378-L389 HydrophobicContact CG1-CD2 3.92Å
390	Y	97.9	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.4	173.8	175.8	-137.3	0	0	0	110.5	V65 K67 R376 A377 V379 L393 L438 M439 N440	V65-Y390 HydrophobicContact CB-CD2 4.27Å; V65-Y390 WeakPolarHBondContact O-CD2 3.05Å; K67-Y390 HydrophobicContact CG-CE2 3.84Å; R376-Y390 CarbonylContact C-O 3.5Å; R376-Y390 VanDerWaalsContact CA-O 3.29Å; R376-Y390 WeakPolarHBondContact CA-O 3.45Å; A377-Y390 PolarHBondContact N-O 3.23Å; A377-Y390 PolarHBondContact O-N 3.26Å; V379-Y390 HydrophobicContact CG1-CD1 4.29Å; Y390-L393 HydrophobicContact CD1-CD1 3.67Å; Y390-L393 HydrophobicContact CE1-CD1 3.7Å; Y390-L393 HydrophobicContact CE1-CD2 4.02Å; Y390-L393 HydrophobicContact CE1-CG 4.43Å; Y390-L393 HydrophobicContact CE2-CD2 4.43Å; Y390-L393 HydrophobicContact CG-CD1 4.38Å; Y390-L438 WeakPolarHBondContact CE1-O 3.38Å; Y390-L438 PolarHBondContact OH-O 3.48Å; Y390-M439 PolarHBondContact OH-O 3.12Å; Y390-N440 PolarHBondContact OH-N 2.92Å
391	G	95.5	Very high	96.7	Very high	20 Å²	20	37.2 Å²	37.2	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.2	-163.2	178.7	0	0	0	0	0	114.4
392	P	96.3	Very high	96.6	Very high	65 Å²	65	37.4 Å²	37.4	42%	0.422	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-66.8	150.1	11	28.5	-35.7	0	0	0	112.8	K67 G375	K67-P392 WeakPolarHBondContact CE-O 3.26Å; K67-P392 PolarHBondContact NZ-O 3.43Å; G375-P392 CarbonylContact O-C 3.59Å; G375-P392 WeakPolarHBondContact O-CA 3.49Å
393	L	97.1	Very high	96.5	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.7	178.2	-60.3	173.5	0	0	0	108.5	H374 G375 A377 Y390 L438 L451	H374-L393 WeakPolarHBondContact CA-O 3.3Å; H374-L393 PolarHBondContact CD2-O 2.91Å; G375-L393 PolarHBondContact N-O 2.81Å; G375-L393 PolarHBondContact O-N 3.03Å; A377-L393 HydrophobicContact CB-CD1 4.14Å; Y390-L393 HydrophobicContact CD1-CD1 3.67Å; Y390-L393 HydrophobicContact CE1-CD1 3.7Å; Y390-L393 HydrophobicContact CE1-CD2 4.02Å; Y390-L393 HydrophobicContact CE1-CG 4.43Å; Y390-L393 HydrophobicContact CE2-CD2 4.43Å; Y390-L393 HydrophobicContact CG-CD1 4.38Å; L393-L438 HydrophobicContact CB-CD2 3.88Å; L393-L438 HydrophobicContact CD1-CD2 4.21Å; L393-L438 HydrophobicContact CD2-CD2 4.31Å; L393-L438 HydrophobicContact CG-CD2 4.35Å; L393-L451 HydrophobicContact CB-CD1 3.8Å; L393-L451 HydrophobicContact CB-CD2 4.04Å; L393-L451 HydrophobicContact CD1-CD2 4.13Å
394	E	97.1	Very high	96.4	Very high	46 Å²	46	32.2 Å²	32.2	22%	0.215	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	175.3	-66.6	178.3	-134	0	0	108.2	H76 Y372 F373 H374 L438	H76-E394 IonicContact ND1-OE2 3.93Å; Y372-E394 HydrophobicContact CE2-CB 4.38Å; Y372-E394 WeakPolarHBondContact OH-CG 3.49Å; Y372-E394 PolarHBondContact OH-OE2 2.56Å; F373-E394 CarbonylContact O-C 3.47Å; F373-E394 WeakPolarHBondContact O-CA 3.46Å; H374-E394 HydrophobicContact CB-CG 4.43Å; E394-L438 WeakPolarHBondContact O-CD2 3.45Å
395	L	98.3	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	113.9	-179.5	174.2	59.4	0	0	0	109.6	F373 H434 W435 L438 V449 L451	F373-L395 HydrophobicContact CB-CB 4.42Å; F373-L395 HydrophobicContact CD2-CD2 4.44Å; F373-L395 HydrophobicContact CD2-CG 4.39Å; F373-L395 PolarHBondContact N-O 3.41Å; F373-L395 PolarHBondContact O-N 2.94Å; L395-H434 HydrophobicContact CD1-CB 4.19Å; L395-W435 HydrophobicContact CD1-CD2 4.01Å; L395-W435 HydrophobicContact CD1-CG 4.06Å; L395-W435 HydrophobicContact CD1-CZ2 4.44Å; L395-W435 HydrophobicContact CD2-CH2 4.16Å; L395-W435 HydrophobicContact CD2-CZ2 3.91Å; L395-L438 HydrophobicContact CB-CD2 4.45Å; L395-L438 HydrophobicContact CD1-CD1 4.16Å; L395-L438 HydrophobicContact CD2-CD1 4.25Å; L395-V449 HydrophobicContact CD2-CB 3.77Å; L395-V449 HydrophobicContact CD2-CG1 3.6Å; L395-V449 HydrophobicContact CD2-CG2 4.37Å; L395-L451 HydrophobicContact CB-CD1 4.06Å
396	F	98.1	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.1	163	-174.3	-122.9	0	0	0	109.6	M85 Y90 R101 L370 S371 Y372 L427 I431 H434	M85-F396 HydrophobicContact CE-CE1 3.99Å; M85-F396 HydrophobicContact CE-CZ 3.81Å; Y90-F396 AromaticContact CD1-CE2 3.78Å; Y90-F396 HydrophobicContact CD1-CE2 3.78Å; Y90-F396 AromaticContact CE1-CE2 3.47Å; Y90-F396 HydrophobicContact CE1-CE2 3.47Å; Y90-F396 VanDerWaalsContact CE1-CE2 3.47Å; Y90-F396 AromaticContact CE1-CZ 3.79Å; Y90-F396 HydrophobicContact CE1-CZ 3.79Å; Y90-F396 HydrophobicContact CE2-CE2 4.31Å; Y90-F396 HydrophobicContact CG-CE2 4.33Å; Y90-F396 AromaticContact CZ-CE2 3.74Å; Y90-F396 AromaticContact CZ-CZ 3.97Å; R101-F396 HydrophobicContact CG-CD2 4.38Å; R101-F396 HydrophobicContact CG-CE2 4.45Å; L370-F396 HydrophobicContact CB-CE2 4.3Å; L370-F396 HydrophobicContact CB-CZ 4.35Å; L370-F396 HydrophobicContact CD1-CZ 4.27Å; L370-F396 HydrophobicContact CD2-CE1 4.35Å; L370-F396 HydrophobicContact CD2-CE2 4.46Å; L370-F396 HydrophobicContact CD2-CZ 4Å; L370-F396 HydrophobicContact CG-CZ 4.45Å; S371-F396 WeakPolarHBondContact O-CD2 3.39Å; Y372-F396 HydrophobicContact CD2-CB 4.43Å; F396-L427 HydrophobicContact CE1-CD1 3.71Å; F396-L427 HydrophobicContact CZ-CD1 4.36Å; F396-I431 HydrophobicContact CD1-CG1 3.98Å; F396-I431 HydrophobicContact CE1-CG1 4.21Å; F396-H434 HydrophobicContact CB-CB 4.48Å; F396-H434 PolarHBondContact N-ND1 3.5Å
397	S	98	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.8	-166.2	-149.8	0	0	0	0	110.9	L370 S371 E413 W435	L370-S397 CarbonylContact C-O 3.51Å; L370-S397 WeakPolarHBondContact CA-O 3.33Å; S371-S397 PolarHBondContact N-O 2.93Å; S371-S397 PolarHBondContact O-N 2.81Å; S397-E413 WeakPolarHBondContact CB-OE2 3.2Å; S397-E413 PolarHBondContact OG-OE2 3.19Å; S397-W435 WeakPolarHBondContact OG-CZ2 3.07Å; S397-W435 PolarHBondContact OG-NE1 2.98Å
398	T	97.6	Very high	96.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.118	C	C	.	.			trans	-79.4	170.7	158.9	58.9	0	0	0	0	110.2	M366 L370 E413 H416 L420	M366-T398 HydrophobicContact CG-CG2 4.29Å; M366-T398 HydrophobicContact SD-CG2 4.06Å; L370-T398 HydrophobicContact CD2-CG2 3.63Å; L370-T398 HydrophobicContact CG-CG2 4.22Å; T398-E413 PolarHBondContact N-OE2 3.43Å; T398-E413 PolarHBondContact OG1-OE1 2.79Å; T398-E413 PolarHBondContact OG1-OE2 3.16Å; T398-H416 WeakPolarHBondContact OG1-CB 3.18Å; T398-H416 PolarHBondContact OG1-ND1 2.61Å; T398-L420 HydrophobicContact CG2-CD1 3.75Å
399	V	97.2	Very high	96.3	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	11%	0.108	C	C	.	.			trans	-124.4	144	176.4	-57.6	0	0	0	0	110.5	A92 G369 F373 S401 K402	A92-V399 HydrophobicContact CB-CG2 4.15Å; G369-V399 PolarHBondContact O-N 3.42Å; F373-V399 HydrophobicContact CE2-CG1 4.14Å; F373-V399 HydrophobicContact CZ-CG1 3.72Å; V399-S401 PolarHBondContact O-N 2.91Å; V399-K402 HydrophobicContact CG2-CG 4.34Å
400	P	96.4	Very high	96.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	9%	0.085	C	C	.	.	S	Bend	trans	-59.9	-44.2	179	-24.1	31.2	0	0	0	113.4	F405 R407 F409 D412 F798 G800	P400-F405 HydrophobicContact CB-CB 3.86Å; P400-F405 HydrophobicContact CB-CD2 4.34Å; P400-F405 HydrophobicContact CB-CG 4.4Å; P400-F405 WeakPolarHBondContact CD-O 3.33Å; P400-F405 HydrophobicContact CG-CB 3.99Å; P400-R407 WeakPolarHBondContact CD-O 3.44Å; P400-F409 HydrophobicContact CG-CB 3.85Å; P400-D412 HydrophobicContact CB-CB 4.42Å; P400-D412 WeakPolarHBondContact CB-OD1 3.22Å; P400-D412 HydrophobicContact CG-CB 3.75Å; P400-D412 VanDerWaalsContact CG-CG 3.47Å; P400-D412 WeakPolarHBondContact CG-OD1 3.32Å; P400-F798 HydrophobicContact CB-CE2 3.89Å; P400-F798 HydrophobicContact CB-CZ 3.89Å; P400-G800 PolarHBondContact O-N 3.22Å
401	S	95.5	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-152.1	132.3	178.4	178.4	0	0	0	0	110.8	V399 S403 F405 P406 P797	V399-S401 PolarHBondContact O-N 2.91Å; S401-S403 VanDerWaalsContact C-N 3.28Å; S401-S403 PolarHBondContact O-N 3.34Å; S401-S403 PolarHBondContact OG-OG 2.88Å; S401-F405 CarbonylContact O-C 3.4Å; S401-F405 WeakPolarHBondContact O-CA 3.43Å; S401-F405 PolarHBondContact O-N 3.03Å; S401-F405 VanDerWaalsContact O-O 3.13Å; S401-P406 VanDerWaalsContact O-N 3.13Å; S401-P797 PolarHBondContact OG-O 3.46Å
402	K	94.3	Very high	96.3	Very high	13 Å²	13	15.6 Å²	15.6	6%	0.057	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33	179.1	-64	-175.8	-175.3	177.5	0	113.8	A92 C130 G368 V399	A92-K402 HydrophobicContact CB-CD 4.47Å; A92-K402 HydrophobicContact CB-CG 4.18Å; A92-K402 WeakPolarHBondContact O-CB 3.43Å; A92-K402 WeakPolarHBondContact O-CG 3.03Å; C130-K402 HydrophobicContact CB-CB 4.11Å; C130-K402 WeakPolarHBondContact CB-O 3.25Å; G368-K402 WeakPolarHBondContact O-CE 3.29Å; G368-K402 PolarHBondContact O-NZ 3.22Å; V399-K402 HydrophobicContact CG2-CG 4.34Å
403	S	93.1	Very high	96.4	Very high	5 Å²	5	12.5 Å²	12.5	4%	0.035	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-34.5	-173.2	61.5	0	0	0	0	112.8	Q132 S401 H796	Q132-S403 WeakPolarHBondContact CG-OG 3.4Å; Q132-S403 PolarHBondContact NE2-OG 3.08Å; S401-S403 VanDerWaalsContact C-N 3.28Å; S401-S403 PolarHBondContact O-N 3.34Å; S401-S403 PolarHBondContact OG-OG 2.88Å; S403-H796 PolarHBondContact OG-O 2.87Å
404	F	92.8	Very high	96.5	Very high	115 Å²	115	12.1 Å²	12.1	50%	0.504	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-35.9	-169.8	-157.9	-90.9	0	0	0	114.2	P406 R407	F404-P406 WeakPolarHBondContact O-CD 3.21Å; F404-R407 PolarHBondContact O-NH1 2.84Å
405	F	94.1	Very high	96.5	Very high	29 Å²	29	10 Å²	10	13%	0.127	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-124.2	54.9	-179.5	-60	-70.7	0	0	0	112.6	P400 S401 R407 F798	P400-F405 HydrophobicContact CB-CB 3.86Å; P400-F405 HydrophobicContact CB-CD2 4.34Å; P400-F405 HydrophobicContact CB-CG 4.4Å; P400-F405 WeakPolarHBondContact CD-O 3.33Å; P400-F405 HydrophobicContact CG-CB 3.99Å; S401-F405 CarbonylContact O-C 3.4Å; S401-F405 WeakPolarHBondContact O-CA 3.43Å; S401-F405 PolarHBondContact O-N 3.03Å; S401-F405 VanDerWaalsContact O-O 3.13Å; F405-R407 PolarHBondContact O-N 3.42Å; F405-F798 HydrophobicContact CD2-CE2 4.33Å
406	P	95.7	Very high	96.5	Very high	3 Å²	3	10 Å²	10	2%	0.019	5%	0.045	C	C	.	.			trans	-80.5	59.2	-174.9	34.1	-36.7	0	0	0	112.3	N93 F373 S401 F404 K458	N93-P406 HydrophobicContact CB-CB 3.82Å; N93-P406 HydrophobicContact CB-CG 4.26Å; F373-P406 WeakPolarHBondContact CE1-O 3.49Å; S401-P406 VanDerWaalsContact O-N 3.13Å; F404-P406 WeakPolarHBondContact O-CD 3.21Å; P406-K458 HydrophobicContact CG-CB 3.86Å; P406-K458 HydrophobicContact CG-CG 3.84Å
407	R	96.3	Very high	96.5	Very high	9 Å²	9	10 Å²	10	3%	0.034	5%	0.045	C	C	.	.	S	Bend	trans	-157	163.8	-175.2	60.6	-173.8	-179.2	-83.8	3.2	111	P400 F404 F405 F409 E448 V459	P400-R407 WeakPolarHBondContact CD-O 3.44Å; F404-R407 PolarHBondContact O-NH1 2.84Å; F405-R407 PolarHBondContact O-N 3.42Å; R407-F409 PolarHBondContact O-N 3.5Å; R407-E448 IonicContact CZ-OE2 2.87Å; R407-E448 IonicContact NE-OE2 3.99Å; R407-E448 PolarHBondContact NE-OE2 2.69Å; R407-E448 IonicContact NH2-OE2 3.84Å; R407-E448 PolarHBondContact NH2-OE2 3.37Å; R407-V459 VanDerWaalsContact CD-CG2 3.49Å
408	G	96.9	Very high	96.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.8	175.8	0	0	0	0	0	112	V449	G408-V449 PolarHBondContact O-N 3.01Å
409	F	97	Very high	96.4	Very high	16 Å²	16	10 Å²	10	7%	0.07	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	115.9	175.6	-153.5	-52	0	0	0	108.9	P400 R407 W411 D412 E413 R447 E448	P400-F409 HydrophobicContact CG-CB 3.85Å; R407-F409 PolarHBondContact O-N 3.5Å; F409-W411 AromaticContact CD1-CD1 3.92Å; F409-W411 AromaticContact CE1-CD1 3.66Å; F409-W411 PolarHBondContact O-N 3.29Å; F409-D412 HydrophobicContact CB-CB 4.08Å; F409-D412 WeakPolarHBondContact CD1-OD2 3.27Å; F409-D412 WeakPolarHBondContact CG-OD2 3.44Å; F409-D412 PolarHBondContact O-N 2.96Å; F409-E413 WeakPolarHBondContact O-CB 3.3Å; F409-E413 PolarHBondContact O-N 3.4Å; F409-R447 HydrophobicContact CD1-CG 4.37Å; F409-R447 HydrophobicContact CE1-CG 3.87Å; F409-R447 VanDerWaalsContact CE1-CZ 3.47Å; F409-R447 VanDerWaalsContact CZ-NH2 3.3Å; F409-E448 HydrophobicContact CD1-CG 4.31Å; F409-E448 HydrophobicContact CD2-CG 3.59Å; F409-E448 HydrophobicContact CE1-CG 4.29Å; F409-E448 VanDerWaalsContact CE2-CD 3.49Å; F409-E448 HydrophobicContact CE2-CG 3.58Å; F409-E448 HydrophobicContact CG-CG 4.01Å; F409-E448 HydrophobicContact CZ-CG 3.99Å
410	L	97.8	Very high	96.4	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.026	4%	0.044	C	C	.	.	H	α-helix	trans	-62.4	-45.4	-163.2	176.2	59.8	0	0	0	113.5	G414 W435 I445 R447 N472 F476 W508	L410-G414 PolarHBondContact O-N 3.28Å; L410-G414 VanDerWaalsContact O-N 3.16Å; L410-W435 HydrophobicContact CB-CE3 4.14Å; L410-W435 HydrophobicContact CB-CH2 3.91Å; L410-W435 HydrophobicContact CB-CZ3 3.62Å; L410-W435 HydrophobicContact CD1-CD2 3.95Å; L410-W435 HydrophobicContact CD1-CE3 3.61Å; L410-W435 HydrophobicContact CD1-CG 4.43Å; L410-W435 HydrophobicContact CD1-CZ3 4.02Å; L410-W435 HydrophobicContact CG-CE3 4.39Å; L410-W435 HydrophobicContact CG-CZ3 4.34Å; L410-W435 VanDerWaalsContact N-CH2 3.32Å; L410-I445 HydrophobicContact CD1-CG2 4.4Å; L410-I445 HydrophobicContact CD2-CB 4.08Å; L410-I445 HydrophobicContact CD2-CG2 3.88Å; L410-R447 PolarHBondContact N-O 3.48Å; L410-N472 WeakPolarHBondContact CB-OD1 3.48Å; L410-N472 HydrophobicContact CD2-CB 4.03Å; L410-N472 HydrophobicContact CG-CB 4.47Å; L410-F476 HydrophobicContact CD1-CD2 4.14Å; L410-F476 HydrophobicContact CD1-CE2 3.46Å; L410-F476 VanDerWaalsContact CD1-CE2 3.46Å; L410-F476 HydrophobicContact CD1-CZ 3.93Å; L410-W508 HydrophobicContact CD2-CZ2 4.16Å
411	W	96.1	Very high	96.4	Very high	6 Å²	6	11.3 Å²	11.3	2%	0.023	5%	0.05	C	C	.	.	H	α-helix	trans	-67.6	-45.2	-179.9	119.4	-83.6	0	0	0	111.5	F409 E413 G414 F415 N472 P473 V475 W726 N733 M734 W801	F409-W411 AromaticContact CD1-CD1 3.92Å; F409-W411 AromaticContact CE1-CD1 3.66Å; F409-W411 PolarHBondContact O-N 3.29Å; W411-E413 VanDerWaalsContact C-N 3.33Å; W411-E413 PolarHBondContact O-N 2.74Å; W411-G414 PolarHBondContact O-N 3.16Å; W411-F415 HydrophobicContact CD2-CD2 4.22Å; W411-F415 HydrophobicContact CD2-CE2 4.1Å; W411-F415 AromaticContact CE3-CD2 3.82Å; W411-F415 HydrophobicContact CE3-CD2 3.82Å; W411-F415 AromaticContact CE3-CE2 3.26Å; W411-F415 HydrophobicContact CE3-CE2 3.26Å; W411-F415 HydrophobicContact CE3-CZ 4.27Å; W411-F415 HydrophobicContact CH2-CD2 4.2Å; W411-F415 AromaticContact CH2-CE2 3.71Å; W411-F415 HydrophobicContact CH2-CE2 3.71Å; W411-F415 HydrophobicContact CH2-CZ 4.23Å; W411-F415 HydrophobicContact CZ2-CE2 4.48Å; W411-F415 AromaticContact CZ3-CD2 3.81Å; W411-F415 HydrophobicContact CZ3-CD2 3.81Å; W411-F415 AromaticContact CZ3-CE2 3.02Å; W411-F415 HydrophobicContact CZ3-CE2 3.02Å; W411-F415 AromaticContact CZ3-CZ 3.66Å; W411-F415 HydrophobicContact CZ3-CZ 3.66Å; W411-F415 WeakPolarHBondContact O-CD2 3.25Å; W411-F415 PolarHBondContact O-N 2.86Å; W411-N472 WeakPolarHBondContact CA-OD1 3.31Å; W411-N472 WeakPolarHBondContact CB-OD1 3.32Å; W411-N472 PolarHBondContact N-OD1 3.21Å; W411-P473 HydrophobicContact CE3-CB 4.47Å; W411-P473 HydrophobicContact CE3-CG 4.25Å; W411-V475 HydrophobicContact CE3-CG2 4.23Å; W411-W726 HydrophobicContact CH2-CH2 4.14Å; W411-W726 AromaticContact CZ2-CH2 3.92Å; W411-W726 HydrophobicContact CZ2-CH2 3.92Å; W411-W726 HydrophobicContact CZ2-CZ2 4.2Å; W411-N733 HydrophobicContact CH2-CB 4.36Å; W411-N733 WeakPolarHBondContact CH2-ND2 3.46Å; W411-N733 WeakPolarHBondContact CZ2-ND2 3.36Å; W411-M734 HydrophobicContact CH2-CE 3.66Å; W411-M734 HydrophobicContact CZ3-CE 3.64Å; W411-W801 AromaticContact CE2-CZ3 3.66Å; W411-W801 AromaticContact CZ2-CE3 3.83Å; W411-W801 HydrophobicContact CZ2-CE3 3.83Å; W411-W801 HydrophobicContact CZ2-CH2 4.41Å; W411-W801 AromaticContact CZ2-CZ3 3.66Å; W411-W801 HydrophobicContact CZ2-CZ3 3.66Å; W411-W801 AromaticContact NE1-CZ3 3.25Å
412	D	97.6	Very high	96.4	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-56.8	-49.6	175.2	-65	-116.6	0	0	0	110.2	P400 F409 G414 F415 H416 W801	P400-D412 HydrophobicContact CB-CB 4.42Å; P400-D412 WeakPolarHBondContact CB-OD1 3.22Å; P400-D412 HydrophobicContact CG-CB 3.75Å; P400-D412 VanDerWaalsContact CG-CG 3.47Å; P400-D412 WeakPolarHBondContact CG-OD1 3.32Å; F409-D412 HydrophobicContact CB-CB 4.08Å; F409-D412 WeakPolarHBondContact CD1-OD2 3.27Å; F409-D412 WeakPolarHBondContact CG-OD2 3.44Å; F409-D412 PolarHBondContact O-N 2.96Å; D412-G414 PolarHBondContact O-N 3.3Å; D412-F415 CarbonylContact O-C 3.53Å; D412-F415 WeakPolarHBondContact O-CA 3.37Å; D412-F415 WeakPolarHBondContact O-CB 3.24Å; D412-F415 PolarHBondContact O-N 3.41Å; D412-H416 PolarHBondContact O-CD2 3.48Å; D412-H416 PolarHBondContact O-N 3.14Å; D412-H416 PolarHBondContact O-NE2 2.93Å; D412-W801 HydrophobicContact CB-CZ3 4.43Å; D412-W801 VanDerWaalsContact CG-CZ3 3.42Å; D412-W801 WeakPolarHBondContact OD1-CZ3 3.45Å
413	E	98.2	Very high	96.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-54.2	-45	179.3	-170	71.4	-122.3	0	0	110.7	S397 T398 F409 W411 F415 H416 Q417 I431 W435 F476	S397-E413 WeakPolarHBondContact CB-OE2 3.2Å; S397-E413 PolarHBondContact OG-OE2 3.19Å; T398-E413 PolarHBondContact N-OE2 3.43Å; T398-E413 PolarHBondContact OG1-OE1 2.79Å; T398-E413 PolarHBondContact OG1-OE2 3.16Å; F409-E413 WeakPolarHBondContact O-CB 3.3Å; F409-E413 PolarHBondContact O-N 3.4Å; W411-E413 VanDerWaalsContact C-N 3.33Å; W411-E413 PolarHBondContact O-N 2.74Å; E413-F415 VanDerWaalsContact C-N 3.26Å; E413-F415 PolarHBondContact O-N 3.06Å; E413-H416 CarbonylContact O-C 3.59Å; E413-H416 WeakPolarHBondContact O-CA 3.49Å; E413-H416 WeakPolarHBondContact O-CB 3.27Å; E413-H416 PolarHBondContact O-N 3.18Å; E413-Q417 HydrophobicContact CG-CG 4.23Å; E413-Q417 VanDerWaalsContact O-CG 3.27Å; E413-Q417 WeakPolarHBondContact O-CG 3.32Å; E413-Q417 PolarHBondContact O-N 3.24Å; E413-Q417 PolarHBondContact OE1-NE2 2.87Å; E413-I431 HydrophobicContact CG-CG2 3.92Å; E413-I431 WeakPolarHBondContact OE1-CG2 3.44Å; E413-W435 HydrophobicContact CB-CZ2 4.24Å; E413-W435 VanDerWaalsContact CG-NE1 3.34Å; E413-F476 HydrophobicContact CB-CE1 4.24Å; E413-F476 HydrophobicContact CB-CZ 4.2Å; E413-F476 HydrophobicContact CG-CE1 3.92Å; E413-F476 HydrophobicContact CG-CZ 3.91Å
414	G	97.4	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.2	-37.4	177.2	0	0	0	0	0	113.9	L410 W411 D412 V475 T479	L410-G414 PolarHBondContact O-N 3.28Å; L410-G414 VanDerWaalsContact O-N 3.16Å; W411-G414 PolarHBondContact O-N 3.16Å; D412-G414 PolarHBondContact O-N 3.3Å; G414-V475 VanDerWaalsContact C-CG1 3.41Å; G414-T479 PolarHBondContact O-OG1 3.41Å; G414-T479 VanDerWaalsContact O-OG1 3.11Å
415	F	97.9	Very high	96.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-72.4	-34.7	172	-78	-81.6	0	0	0	112.5	W411 D412 E413 Q417 L418 V475 N733 M734 M737 W801 L804	W411-F415 HydrophobicContact CD2-CD2 4.22Å; W411-F415 HydrophobicContact CD2-CE2 4.1Å; W411-F415 AromaticContact CE3-CD2 3.82Å; W411-F415 HydrophobicContact CE3-CD2 3.82Å; W411-F415 AromaticContact CE3-CE2 3.26Å; W411-F415 HydrophobicContact CE3-CE2 3.26Å; W411-F415 HydrophobicContact CE3-CZ 4.27Å; W411-F415 HydrophobicContact CH2-CD2 4.2Å; W411-F415 AromaticContact CH2-CE2 3.71Å; W411-F415 HydrophobicContact CH2-CE2 3.71Å; W411-F415 HydrophobicContact CH2-CZ 4.23Å; W411-F415 HydrophobicContact CZ2-CE2 4.48Å; W411-F415 AromaticContact CZ3-CD2 3.81Å; W411-F415 HydrophobicContact CZ3-CD2 3.81Å; W411-F415 AromaticContact CZ3-CE2 3.02Å; W411-F415 HydrophobicContact CZ3-CE2 3.02Å; W411-F415 AromaticContact CZ3-CZ 3.66Å; W411-F415 HydrophobicContact CZ3-CZ 3.66Å; W411-F415 WeakPolarHBondContact O-CD2 3.25Å; W411-F415 PolarHBondContact O-N 2.86Å; D412-F415 CarbonylContact O-C 3.53Å; D412-F415 WeakPolarHBondContact O-CA 3.37Å; D412-F415 WeakPolarHBondContact O-CB 3.24Å; D412-F415 PolarHBondContact O-N 3.41Å; E413-F415 VanDerWaalsContact C-N 3.26Å; E413-F415 PolarHBondContact O-N 3.06Å; F415-Q417 VanDerWaalsContact C-N 3.28Å; F415-Q417 PolarHBondContact O-N 2.97Å; F415-L418 HydrophobicContact CB-CD1 4.42Å; F415-L418 HydrophobicContact CD1-CD1 3.59Å; F415-L418 HydrophobicContact CE1-CD1 4.19Å; F415-L418 HydrophobicContact CG-CD1 4.31Å; F415-L418 WeakPolarHBondContact O-CB 3.44Å; F415-L418 WeakPolarHBondContact O-CG 3.12Å; F415-L418 PolarHBondContact O-N 2.86Å; F415-V475 HydrophobicContact CD2-CG1 4.06Å; F415-V475 HydrophobicContact CD2-CG2 4.21Å; F415-V475 HydrophobicContact CE2-CB 4.48Å; F415-V475 HydrophobicContact CE2-CG1 3.92Å; F415-V475 HydrophobicContact CE2-CG2 3.69Å; F415-V475 HydrophobicContact CG-CG1 4.47Å; F415-V475 HydrophobicContact CZ-CG1 4.35Å; F415-V475 HydrophobicContact CZ-CG2 4.48Å; F415-N733 HydrophobicContact CD1-CB 3.56Å; F415-N733 HydrophobicContact CD2-CB 4.32Å; F415-N733 HydrophobicContact CE1-CB 3.59Å; F415-N733 HydrophobicContact CE2-CB 4.4Å; F415-N733 HydrophobicContact CG-CB 3.94Å; F415-N733 HydrophobicContact CZ-CB 4.04Å; F415-M734 HydrophobicContact CE1-CE 4.32Å; F415-M734 HydrophobicContact CE2-CE 4.37Å; F415-M734 HydrophobicContact CZ-CE 3.65Å; F415-M737 HydrophobicContact CE1-CG 3.96Å; F415-M737 HydrophobicContact CE1-SD 4.04Å; F415-M737 HydrophobicContact CZ-CG 4.35Å; F415-M737 HydrophobicContact CZ-SD 3.82Å; F415-W801 HydrophobicContact CB-CB 4.12Å; F415-L804 HydrophobicContact CB-CD1 4.25Å; F415-L804 HydrophobicContact CD1-CD1 3.74Å; F415-L804 HydrophobicContact CG-CD1 4.43Å
416	H	98.2	Very high	96.9	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-63.4	-38.8	175.9	-55.9	168.4	0	0	0	111.2	M366 T398 D412 E413 L418 L419 L420 G800	M366-H416 HydrophobicContact CE-CB 3.65Å; M366-H416 VanDerWaalsContact CE-CD2 3.49Å; M366-H416 WeakPolarHBondContact CE-CD2 3.5Å; M366-H416 HydrophobicContact SD-CB 3.64Å; M366-H416 VanDerWaalsContact SD-CG 3.57Å; T398-H416 WeakPolarHBondContact OG1-CB 3.18Å; T398-H416 PolarHBondContact OG1-ND1 2.61Å; D412-H416 PolarHBondContact O-CD2 3.48Å; D412-H416 PolarHBondContact O-N 3.14Å; D412-H416 PolarHBondContact O-NE2 2.93Å; E413-H416 CarbonylContact O-C 3.59Å; E413-H416 WeakPolarHBondContact O-CA 3.49Å; E413-H416 WeakPolarHBondContact O-CB 3.27Å; E413-H416 PolarHBondContact O-N 3.18Å; H416-L418 PolarHBondContact O-N 2.85Å; H416-L419 PolarHBondContact O-N 2.9Å; H416-L420 PolarHBondContact O-N 3.15Å; H416-G800 VanDerWaalsContact CD2-C 3.47Å; H416-G800 VanDerWaalsContact CD2-CA 3.5Å; H416-G800 WeakPolarHBondContact CD2-CA 3.39Å; H416-G800 WeakPolarHBondContact NE2-CA 3.37Å
417	Q	97.8	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.6	-25.3	179.2	-65.1	-48.1	-44.3	0	0	113.5	E413 F415 L419 L420 R421 S428 I431 M432 F476 T479	E413-Q417 HydrophobicContact CG-CG 4.23Å; E413-Q417 VanDerWaalsContact O-CG 3.27Å; E413-Q417 WeakPolarHBondContact O-CG 3.32Å; E413-Q417 PolarHBondContact O-N 3.24Å; E413-Q417 PolarHBondContact OE1-NE2 2.87Å; F415-Q417 VanDerWaalsContact C-N 3.28Å; F415-Q417 PolarHBondContact O-N 2.97Å; Q417-L419 PolarHBondContact O-N 3.09Å; Q417-L420 PolarHBondContact O-N 2.82Å; Q417-R421 VanDerWaalsContact O-CB 3.29Å; Q417-R421 WeakPolarHBondContact O-CB 3.29Å; Q417-R421 VanDerWaalsContact O-CG 3.29Å; Q417-R421 WeakPolarHBondContact O-CG 3.46Å; Q417-R421 PolarHBondContact O-N 2.9Å; Q417-S428 PolarHBondContact OE1-O 2.84Å; Q417-S428 PolarHBondContact OE1-OG 3.32Å; Q417-I431 VanDerWaalsContact NE2-CG2 3.34Å; Q417-M432 HydrophobicContact CB-CE 3.54Å; Q417-M432 HydrophobicContact CG-CE 3.79Å; Q417-M432 HydrophobicContact CG-CG 4.2Å; Q417-F476 HydrophobicContact CG-CD1 4.44Å; Q417-F476 HydrophobicContact CG-CE1 3.95Å; Q417-T479 HydrophobicContact CB-CG2 3.83Å
418	L	97.1	Very high	96.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.1	-39.3	171.6	-51.7	170.8	0	0	0	110.3	F415 H416 R421 H422 Y478 T479 Y736 L804 L807 E814	F415-L418 HydrophobicContact CB-CD1 4.42Å; F415-L418 HydrophobicContact CD1-CD1 3.59Å; F415-L418 HydrophobicContact CE1-CD1 4.19Å; F415-L418 HydrophobicContact CG-CD1 4.31Å; F415-L418 WeakPolarHBondContact O-CB 3.44Å; F415-L418 WeakPolarHBondContact O-CG 3.12Å; F415-L418 PolarHBondContact O-N 2.86Å; H416-L418 PolarHBondContact O-N 2.85Å; L418-R421 WeakPolarHBondContact O-CG 3.48Å; L418-H422 PolarHBondContact O-CD2 3.43Å; L418-H422 VanDerWaalsContact O-CD2 3.29Å; L418-Y478 HydrophobicContact CD1-CD1 4.43Å; L418-Y478 HydrophobicContact CD1-CE1 4.18Å; L418-Y478 HydrophobicContact CD2-CD1 3.67Å; L418-Y478 HydrophobicContact CD2-CE1 3.83Å; L418-T479 HydrophobicContact CD2-CG2 4.01Å; L418-T479 VanDerWaalsContact CD2-OG1 3.28Å; L418-T479 WeakPolarHBondContact CD2-OG1 3.38Å; L418-Y736 HydrophobicContact CD1-CD1 3.98Å; L418-Y736 HydrophobicContact CD1-CE1 3.65Å; L418-L804 HydrophobicContact CB-CD2 3.79Å; L418-L804 HydrophobicContact CD1-CD1 4.35Å; L418-L804 HydrophobicContact CD1-CD2 4.07Å; L418-L807 HydrophobicContact CB-CD1 4.09Å; L418-L807 WeakPolarHBondContact O-CD1 3.38Å; L418-E814 WeakPolarHBondContact CA-OE1 3.27Å; L418-E814 WeakPolarHBondContact CB-OE1 3.28Å; L418-E814 HydrophobicContact CD2-CG 3.72Å; L418-E814 WeakPolarHBondContact CD2-OE1 2.97Å
419	L	97.6	Very high	97	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-76.6	-50.8	175.4	174.1	58.7	0	0	0	111.5	F344 L363 M366 H416 Q417 R421 H422 L806 L807	F344-L419 HydrophobicContact CE1-CD1 3.82Å; F344-L419 HydrophobicContact CZ-CD1 3.87Å; L363-L419 HydrophobicContact CD1-CD1 4.42Å; L363-L419 HydrophobicContact CD1-CD2 4.36Å; L363-L419 HydrophobicContact CD1-CG 4.28Å; M366-L419 HydrophobicContact CB-CD2 4.41Å; M366-L419 HydrophobicContact CE-CD2 4.49Å; H416-L419 PolarHBondContact O-N 2.9Å; Q417-L419 PolarHBondContact O-N 3.09Å; L419-R421 VanDerWaalsContact C-N 3.27Å; L419-R421 PolarHBondContact O-N 3.21Å; L419-H422 PolarHBondContact O-N 3.49Å; L419-H422 VanDerWaalsContact O-N 3.08Å; L419-L806 HydrophobicContact CD1-CB 4.42Å; L419-L806 HydrophobicContact CD1-CD2 3.82Å; L419-L806 HydrophobicContact CD1-CG 4.25Å; L419-L807 HydrophobicContact CB-CD1 4.49Å; L419-L807 HydrophobicContact CD1-CD2 3.88Å; L419-L807 HydrophobicContact CD1-CG 4.14Å
420	L	97.5	Very high	97	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.8	-33.7	-171.7	-67.4	-171.4	0	0	0	112.8	M366 L367 T398 H416 Q417 H422 W423 D424 I431	M366-L420 HydrophobicContact CG-CD2 3.91Å; M366-L420 HydrophobicContact CG-CG 4.3Å; L367-L420 HydrophobicContact CD2-CD2 3.62Å; L367-L420 HydrophobicContact CG-CD2 4.15Å; T398-L420 HydrophobicContact CG2-CD1 3.75Å; H416-L420 PolarHBondContact O-N 3.15Å; Q417-L420 PolarHBondContact O-N 2.82Å; L420-H422 PolarHBondContact O-N 3.36Å; L420-W423 PolarHBondContact O-N 3.41Å; L420-D424 CarbonylContact O-C 3.49Å; L420-D424 PolarHBondContact O-N 3.47Å; L420-I431 HydrophobicContact CD1-CD1 3.82Å
421	R	96.2	Very high	97	Very high	30 Å²	30	10.4 Å²	10.4	11%	0.113	5%	0.051	C	C	.	.	H	α-helix	trans	-59.5	-30.5	177.7	75.4	103.3	-42.5	-135.5	-4.1	112.5	Q417 L418 L419 W423 V425 T479 I483	Q417-R421 VanDerWaalsContact O-CB 3.29Å; Q417-R421 WeakPolarHBondContact O-CB 3.29Å; Q417-R421 VanDerWaalsContact O-CG 3.29Å; Q417-R421 WeakPolarHBondContact O-CG 3.46Å; Q417-R421 PolarHBondContact O-N 2.9Å; L418-R421 WeakPolarHBondContact O-CG 3.48Å; L419-R421 VanDerWaalsContact C-N 3.27Å; L419-R421 PolarHBondContact O-N 3.21Å; R421-W423 VanDerWaalsContact C-N 3.35Å; R421-V425 WeakPolarHBondContact O-CG2 2.97Å; R421-T479 HydrophobicContact CG-CG2 4.36Å; R421-I483 HydrophobicContact CB-CD1 4.12Å; R421-I483 HydrophobicContact CB-CG1 4.22Å
422	H	95.5	Very high	97.2	Very high	31 Å²	31	10.1 Å²	10.1	14%	0.144	5%	0.05	C	C	.	.	H	α-helix	trans	-77.4	-23.2	176.9	-77.4	-91.5	0	0	0	112.5	F344 L418 L419 L420 L807	F344-H422 HydrophobicContact CE1-CB 4.05Å; F344-H422 HydrophobicContact CZ-CB 4.43Å; L418-H422 PolarHBondContact O-CD2 3.43Å; L418-H422 VanDerWaalsContact O-CD2 3.29Å; L419-H422 PolarHBondContact O-N 3.49Å; L419-H422 VanDerWaalsContact O-N 3.08Å; L420-H422 PolarHBondContact O-N 3.36Å; H422-L807 HydrophobicContact CB-CD2 4.35Å
423	W	96.7	Very high	97.2	Very high	11 Å²	11	10 Å²	10	4%	0.042	5%	0.049	C	C	.	.	H	α-helix	trans	-87.2	-46.1	175.9	179.8	-111.6	0	0	0	112.6	D145 F336 K339 F340 F344 L363 L367 L420 R421	D145-W423 HydrophobicContact CB-CZ2 4.15Å; D145-W423 PolarHBondContact O-NE1 3.16Å; F336-W423 AromaticContact CD2-CH2 3.47Å; F336-W423 HydrophobicContact CD2-CH2 3.47Å; F336-W423 VanDerWaalsContact CD2-CH2 3.47Å; F336-W423 AromaticContact CD2-CZ2 3.77Å; F336-W423 HydrophobicContact CD2-CZ2 3.77Å; F336-W423 AromaticContact CE2-CH2 3.68Å; F336-W423 HydrophobicContact CE2-CH2 3.68Å; F336-W423 AromaticContact CE2-CZ2 3.96Å; F336-W423 HydrophobicContact CE2-CZ2 3.96Å; F336-W423 HydrophobicContact CE2-CZ3 4.48Å; F336-W423 HydrophobicContact CG-CH2 4.37Å; K339-W423 HydrophobicContact CB-CH2 3.91Å; K339-W423 HydrophobicContact CB-CZ3 3.99Å; K339-W423 HydrophobicContact CD-CD2 4.4Å; K339-W423 HydrophobicContact CD-CE3 4.2Å; K339-W423 HydrophobicContact CD-CH2 3.6Å; K339-W423 HydrophobicContact CD-CZ2 3.79Å; K339-W423 HydrophobicContact CD-CZ3 3.81Å; K339-W423 WeakPolarHBondContact CE-O 3.39Å; K339-W423 HydrophobicContact CG-CE3 4.17Å; K339-W423 HydrophobicContact CG-CH2 3.77Å; K339-W423 HydrophobicContact CG-CZ2 4.45Å; K339-W423 HydrophobicContact CG-CZ3 3.6Å; K339-W423 PolarHBondContact NZ-O 3.21Å; F340-W423 HydrophobicContact CB-CZ3 4.24Å; F344-W423 HydrophobicContact CE2-CE3 4.08Å; L363-W423 HydrophobicContact CD1-CB 3.99Å; L363-W423 HydrophobicContact CD1-CD2 4.29Å; L363-W423 HydrophobicContact CD1-CG 4Å; L363-W423 HydrophobicContact CD2-CD2 3.84Å; L363-W423 HydrophobicContact CD2-CE3 3.6Å; L363-W423 HydrophobicContact CD2-CG 4.42Å; L363-W423 HydrophobicContact CD2-CH2 4.28Å; L363-W423 HydrophobicContact CD2-CZ3 3.82Å; L367-W423 HydrophobicContact CD1-CG 4.48Å; L420-W423 PolarHBondContact O-N 3.41Å; R421-W423 VanDerWaalsContact C-N 3.35Å
424	D	95.8	Very high	97.2	Very high	19 Å²	19	10.3 Å²	10.3	10%	0.102	5%	0.051	C	C	.	.			trans	-159	102.5	-173.8	-164.1	-41.2	0	0	0	109.8	K147 L420 D426 L427 S428	K147-D424 WeakPolarHBondContact CE-OD2 3.35Å; K147-D424 IonicContact NZ-OD1 2.77Å; K147-D424 IonicContact NZ-OD2 2.85Å; K147-D424 PolarHBondContact NZ-OD2 3.22Å; L420-D424 CarbonylContact O-C 3.49Å; L420-D424 PolarHBondContact O-N 3.47Å; D424-D426 PolarHBondContact OD1-N 2.85Å; D424-L427 HydrophobicContact CB-CB 3.85Å; D424-L427 HydrophobicContact CB-CD2 4.45Å; D424-L427 PolarHBondContact OD1-N 3.39Å; D424-S428 PolarHBondContact O-N 3.41Å; D424-S428 VanDerWaalsContact O-N 3.1Å
425	V	96.1	Very high	97.3	Very high	33 Å²	33	10.3 Å²	10.3	20%	0.2	5%	0.051	C	C	.	.	H	α-helix	trans	-65.8	-39.8	-177.8	175.8	0	0	0	0	111.4	R421 S428 L429 I483 L490	R421-V425 WeakPolarHBondContact O-CG2 2.97Å; V425-S428 WeakPolarHBondContact O-CB 3.47Å; V425-S428 PolarHBondContact O-N 2.7Å; V425-S428 VanDerWaalsContact O-N 3.15Å; V425-L429 HydrophobicContact CG1-CD1 3.98Å; V425-L429 HydrophobicContact CG1-CG 4.23Å; V425-L429 WeakPolarHBondContact O-CG 3.47Å; V425-L429 PolarHBondContact O-N 3.5Å; V425-I483 HydrophobicContact CG1-CG2 4.38Å; V425-L490 HydrophobicContact CG1-CD2 4.07Å
426	D	94.8	Very high	97.3	Very high	55 Å²	55	10.3 Å²	10.3	29%	0.294	5%	0.051	S	C	.	.	H	α-helix	trans	-63.8	-46.8	-179.1	-179.6	79.4	0	0	0	110.5	D424 S428 L429 E430	D424-D426 PolarHBondContact OD1-N 2.85Å; D426-S428 VanDerWaalsContact C-N 3.28Å; D426-S428 PolarHBondContact O-N 3Å; D426-L429 PolarHBondContact O-N 3.34Å; D426-E430 WeakPolarHBondContact O-CB 3.11Å; D426-E430 PolarHBondContact O-N 3.1Å
427	L	96.3	Very high	97.3	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-57	-42.4	171.9	175.7	60.8	0	0	0	112	M85 L367 L370 F396 D424 E430 I431	M85-L427 HydrophobicContact CE-CD1 3.72Å; L367-L427 HydrophobicContact CD2-CD2 3.98Å; L370-L427 HydrophobicContact CD1-CD2 4.31Å; F396-L427 HydrophobicContact CE1-CD1 3.71Å; F396-L427 HydrophobicContact CZ-CD1 4.36Å; D424-L427 HydrophobicContact CB-CB 3.85Å; D424-L427 HydrophobicContact CB-CD2 4.45Å; D424-L427 PolarHBondContact OD1-N 3.39Å; L427-E430 PolarHBondContact O-N 3.09Å; L427-I431 HydrophobicContact CD1-CD1 3.93Å; L427-I431 HydrophobicContact CD1-CG1 4.28Å; L427-I431 HydrophobicContact CG-CD1 4.04Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.17Å
428	S	97.5	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.2	-47	-179.3	-175.5	0	0	0	0	112.2	Q417 D424 V425 D426 E430 I431 M432	Q417-S428 PolarHBondContact OE1-O 2.84Å; Q417-S428 PolarHBondContact OE1-OG 3.32Å; D424-S428 PolarHBondContact O-N 3.41Å; D424-S428 VanDerWaalsContact O-N 3.1Å; V425-S428 WeakPolarHBondContact O-CB 3.47Å; V425-S428 PolarHBondContact O-N 2.7Å; V425-S428 VanDerWaalsContact O-N 3.15Å; D426-S428 VanDerWaalsContact C-N 3.28Å; D426-S428 PolarHBondContact O-N 3Å; S428-E430 VanDerWaalsContact C-N 3.32Å; S428-E430 PolarHBondContact O-N 2.68Å; S428-I431 PolarHBondContact O-N 3.06Å; S428-M432 WeakPolarHBondContact O-CG 3.48Å; S428-M432 PolarHBondContact O-N 3.17Å; S428-M432 VanDerWaalsContact O-N 3.09Å
429	L	97.9	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-36.8	177.3	-68.9	178	0	0	0	111.9	V425 D426 M432 G433 L480 I483 D494 L497 L498 M501	V425-L429 HydrophobicContact CG1-CD1 3.98Å; V425-L429 HydrophobicContact CG1-CG 4.23Å; V425-L429 WeakPolarHBondContact O-CG 3.47Å; V425-L429 PolarHBondContact O-N 3.5Å; D426-L429 PolarHBondContact O-N 3.34Å; L429-M432 PolarHBondContact O-N 3.39Å; L429-G433 PolarHBondContact O-N 3.37Å; L429-L480 HydrophobicContact CD2-CD2 4.15Å; L429-I483 HydrophobicContact CD2-CD1 4.1Å; L429-D494 HydrophobicContact CD1-CB 3.72Å; L429-L497 HydrophobicContact CB-CB 4.48Å; L429-L497 HydrophobicContact CB-CD1 3.99Å; L429-L498 HydrophobicContact CD1-CG 4.19Å; L429-L498 HydrophobicContact CD2-CD2 3.72Å; L429-L498 HydrophobicContact CD2-CG 4.19Å; L429-M501 HydrophobicContact CD2-SD 4.16Å
430	E	97.1	Very high	97.4	Very high	24 Å²	24	11.1 Å²	11.1	11%	0.112	6%	0.056	C	C	.	.	H	α-helix	trans	-61.9	-48.4	175.5	177	173.5	112.4	0	0	111.9	M74 R101 D426 L427 S428 M432 G433 H434	M74-E430 HydrophobicContact CE-CB 4.22Å; M74-E430 HydrophobicContact CE-CG 3.59Å; M74-E430 HydrophobicContact SD-CG 4.23Å; R101-E430 IonicContact CZ-OE1 2.8Å; R101-E430 IonicContact NH1-OE1 3.99Å; R101-E430 PolarHBondContact NH1-OE1 3.43Å; R101-E430 IonicContact NH1-OE2 3.61Å; R101-E430 VanDerWaalsContact NH2-CD 3.32Å; R101-E430 IonicContact NH2-OE1 3.36Å; R101-E430 PolarHBondContact NH2-OE1 2.85Å; R101-E430 IonicContact NH2-OE2 2.96Å; D426-E430 WeakPolarHBondContact O-CB 3.11Å; D426-E430 PolarHBondContact O-N 3.1Å; L427-E430 PolarHBondContact O-N 3.09Å; S428-E430 VanDerWaalsContact C-N 3.32Å; S428-E430 PolarHBondContact O-N 2.68Å; E430-M432 VanDerWaalsContact C-N 3.35Å; E430-M432 PolarHBondContact O-N 3.31Å; E430-G433 WeakPolarHBondContact O-CA 3.33Å; E430-G433 PolarHBondContact O-N 2.72Å; E430-G433 VanDerWaalsContact O-N 3.1Å; E430-H434 PolarHBondContact O-CD2 3.32Å; E430-H434 PolarHBondContact O-N 3.39Å
431	I	98.4	Very high	97.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.7	-45.5	177.3	-68.1	164.4	0	0	0	110.3	L370 F396 E413 Q417 L420 L427 S428 G433 H434 W435	L370-I431 HydrophobicContact CD2-CD1 3.68Å; F396-I431 HydrophobicContact CD1-CG1 3.98Å; F396-I431 HydrophobicContact CE1-CG1 4.21Å; E413-I431 HydrophobicContact CG-CG2 3.92Å; E413-I431 WeakPolarHBondContact OE1-CG2 3.44Å; Q417-I431 VanDerWaalsContact NE2-CG2 3.34Å; L420-I431 HydrophobicContact CD1-CD1 3.82Å; L427-I431 HydrophobicContact CD1-CD1 3.93Å; L427-I431 HydrophobicContact CD1-CG1 4.28Å; L427-I431 HydrophobicContact CG-CD1 4.04Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.17Å; S428-I431 PolarHBondContact O-N 3.06Å; I431-G433 VanDerWaalsContact C-N 3.26Å; I431-G433 PolarHBondContact O-N 2.92Å; I431-H434 WeakPolarHBondContact O-CB 2.86Å; I431-H434 PolarHBondContact O-N 2.89Å; I431-W435 VanDerWaalsContact O-CD1 3.32Å; I431-W435 PolarHBondContact O-N 3.22Å; I431-W435 VanDerWaalsContact O-N 3.1Å
432	M	98.6	Very high	97.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-37.6	174.8	-67.3	-173.8	-162.8	0	0	112.1	Q417 S428 L429 E430 W435 L436 F476 T479 L480 I483 M501	Q417-M432 HydrophobicContact CB-CE 3.54Å; Q417-M432 HydrophobicContact CG-CE 3.79Å; Q417-M432 HydrophobicContact CG-CG 4.2Å; S428-M432 WeakPolarHBondContact O-CG 3.48Å; S428-M432 PolarHBondContact O-N 3.17Å; S428-M432 VanDerWaalsContact O-N 3.09Å; L429-M432 PolarHBondContact O-N 3.39Å; E430-M432 VanDerWaalsContact C-N 3.35Å; E430-M432 PolarHBondContact O-N 3.31Å; M432-W435 PolarHBondContact O-N 2.99Å; M432-L436 WeakPolarHBondContact O-CG 3.21Å; M432-L436 PolarHBondContact O-N 3.34Å; M432-F476 HydrophobicContact CE-CD1 4.21Å; M432-F476 HydrophobicContact CG-CD1 3.82Å; M432-F476 HydrophobicContact CG-CE1 3.9Å; M432-F476 HydrophobicContact CG-CG 4.2Å; M432-F476 HydrophobicContact CG-CZ 4.33Å; M432-F476 HydrophobicContact SD-CB 4.39Å; M432-F476 HydrophobicContact SD-CD1 4.13Å; M432-F476 HydrophobicContact SD-CG 4.33Å; M432-T479 HydrophobicContact CE-CG2 3.45Å; M432-T479 VanDerWaalsContact CE-CG2 3.45Å; M432-L480 HydrophobicContact SD-CD2 3.85Å; M432-L480 HydrophobicContact SD-CG 3.9Å; M432-I483 HydrophobicContact CE-CD1 4.27Å; M432-M501 HydrophobicContact CB-CE 3.45Å; M432-M501 VanDerWaalsContact CB-CE 3.45Å; M432-M501 HydrophobicContact CG-CE 4.47Å; M432-M501 HydrophobicContact SD-CE 4.24Å
433	G	98.4	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.8	-46.4	174.4	0	0	0	0	0	112.5	L429 E430 I431 W435 L436 D437	L429-G433 PolarHBondContact O-N 3.37Å; E430-G433 WeakPolarHBondContact O-CA 3.33Å; E430-G433 PolarHBondContact O-N 2.72Å; E430-G433 VanDerWaalsContact O-N 3.1Å; I431-G433 VanDerWaalsContact C-N 3.26Å; I431-G433 PolarHBondContact O-N 2.92Å; G433-W435 VanDerWaalsContact C-N 3.33Å; G433-W435 PolarHBondContact O-N 3.26Å; G433-L436 PolarHBondContact O-N 2.89Å; G433-D437 VanDerWaalsContact O-CG 3.32Å; G433-D437 PolarHBondContact O-N 2.78Å
434	H	98.4	Very high	97.6	Very high	7 Å²	7	13.8 Å²	13.8	3%	0.032	7%	0.073	C	C	.	.	H	α-helix	trans	-56.7	-45.1	173.9	-89.5	-91.6	0	0	0	111.9	H76 R101 L395 F396 E430 I431 L436 D437	H76-H434 AromaticContact CE1-CE1 3.65Å; H76-H434 AromaticContact CE1-ND1 3.65Å; H76-H434 AromaticContact ND1-CE1 3.67Å; R101-H434 PolarHBondContact NH2-NE2 3.28Å; R101-H434 VanDerWaalsContact NH2-NE2 3.18Å; L395-H434 HydrophobicContact CD1-CB 4.19Å; F396-H434 HydrophobicContact CB-CB 4.48Å; F396-H434 PolarHBondContact N-ND1 3.5Å; E430-H434 PolarHBondContact O-CD2 3.32Å; E430-H434 PolarHBondContact O-N 3.39Å; I431-H434 WeakPolarHBondContact O-CB 2.86Å; I431-H434 PolarHBondContact O-N 2.89Å; H434-L436 PolarHBondContact O-N 2.69Å; H434-D437 PolarHBondContact O-N 2.55Å
435	W	98.7	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-41.7	176.1	-84	96.5	0	0	0	113.6	L395 S397 L410 E413 I431 M432 G433 D437 L438 I445 V449 F476	L395-W435 HydrophobicContact CD1-CD2 4.01Å; L395-W435 HydrophobicContact CD1-CG 4.06Å; L395-W435 HydrophobicContact CD1-CZ2 4.44Å; L395-W435 HydrophobicContact CD2-CH2 4.16Å; L395-W435 HydrophobicContact CD2-CZ2 3.91Å; S397-W435 WeakPolarHBondContact OG-CZ2 3.07Å; S397-W435 PolarHBondContact OG-NE1 2.98Å; L410-W435 HydrophobicContact CB-CE3 4.14Å; L410-W435 HydrophobicContact CB-CH2 3.91Å; L410-W435 HydrophobicContact CB-CZ3 3.62Å; L410-W435 HydrophobicContact CD1-CD2 3.95Å; L410-W435 HydrophobicContact CD1-CE3 3.61Å; L410-W435 HydrophobicContact CD1-CG 4.43Å; L410-W435 HydrophobicContact CD1-CZ3 4.02Å; L410-W435 HydrophobicContact CG-CE3 4.39Å; L410-W435 HydrophobicContact CG-CZ3 4.34Å; L410-W435 VanDerWaalsContact N-CH2 3.32Å; E413-W435 HydrophobicContact CB-CZ2 4.24Å; E413-W435 VanDerWaalsContact CG-NE1 3.34Å; I431-W435 VanDerWaalsContact O-CD1 3.32Å; I431-W435 PolarHBondContact O-N 3.22Å; I431-W435 VanDerWaalsContact O-N 3.1Å; M432-W435 PolarHBondContact O-N 2.99Å; G433-W435 VanDerWaalsContact C-N 3.33Å; G433-W435 PolarHBondContact O-N 3.26Å; W435-D437 PolarHBondContact O-N 3.36Å; W435-L438 HydrophobicContact CD2-CD1 4.4Å; W435-L438 HydrophobicContact CE3-CD1 3.78Å; W435-L438 HydrophobicContact CZ3-CD1 4.12Å; W435-L438 WeakPolarHBondContact O-CB 3.36Å; W435-L438 PolarHBondContact O-N 3.2Å; W435-I445 HydrophobicContact CE3-CG2 3.81Å; W435-I445 HydrophobicContact CZ3-CG2 4.17Å; W435-V449 HydrophobicContact CE3-CG2 4.39Å; W435-V449 HydrophobicContact CH2-CB 4.25Å; W435-V449 HydrophobicContact CH2-CG2 3.77Å; W435-V449 HydrophobicContact CZ3-CB 4.38Å; W435-V449 HydrophobicContact CZ3-CG2 3.46Å; W435-V449 VanDerWaalsContact CZ3-CG2 3.46Å; W435-F476 HydrophobicContact CB-CE2 3.57Å; W435-F476 HydrophobicContact CB-CZ 3.95Å; W435-F476 AromaticContact CD1-CZ 3.74Å; W435-F476 HydrophobicContact CD2-CZ 4.4Å; W435-F476 AromaticContact CG-CE2 3.84Å; W435-F476 HydrophobicContact CG-CE2 3.84Å; W435-F476 AromaticContact CG-CZ 3.74Å; W435-F476 HydrophobicContact CG-CZ 3.74Å
436	L	98.6	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.4	-25.6	176.3	-69.2	175.2	0	0	0	112.4	V73 M432 G433 H434 L438 M439 I445 M501 R504 L505 W508	V73-L436 HydrophobicContact CG2-CB 4.12Å; V73-L436 HydrophobicContact CG2-CD1 4.28Å; M432-L436 WeakPolarHBondContact O-CG 3.21Å; M432-L436 PolarHBondContact O-N 3.34Å; G433-L436 PolarHBondContact O-N 2.89Å; H434-L436 PolarHBondContact O-N 2.69Å; L436-L438 VanDerWaalsContact C-N 3.27Å; L436-L438 PolarHBondContact O-N 3.42Å; L436-M439 HydrophobicContact CD2-SD 4.04Å; L436-M439 WeakPolarHBondContact O-CB 3.26Å; L436-M439 WeakPolarHBondContact O-CG 3.11Å; L436-M439 PolarHBondContact O-N 2.76Å; L436-M439 VanDerWaalsContact O-SD 3.41Å; L436-I445 HydrophobicContact CD2-CD1 4.24Å; L436-M501 HydrophobicContact CD1-CB 3.77Å; L436-M501 HydrophobicContact CD1-CE 3.62Å; L436-M501 HydrophobicContact CD1-CG 3.84Å; L436-R504 HydrophobicContact CB-CB 4.3Å; L436-R504 PolarHBondContact O-NH1 3.38Å; L436-L505 HydrophobicContact CD1-CD2 3.99Å; L436-L505 HydrophobicContact CD1-CG 3.95Å; L436-L505 HydrophobicContact CD2-CD2 3.95Å; L436-L505 HydrophobicContact CD2-CG 4.44Å; L436-W508 HydrophobicContact CD2-CE3 4.39Å
437	D	98.4	Very high	97.7	Very high	18 Å²	18	9.6 Å²	9.6	10%	0.096	5%	0.049	C	C	.	.	H	α-helix	trans	-74.2	-17	177.7	-74	-18.8	0	0	0	113.5	T72 V73 M74 H76 G433 H434 W435 M439 R504	T72-D437 WeakPolarHBondContact CA-OD1 3.17Å; T72-D437 WeakPolarHBondContact CB-OD1 3.19Å; T72-D437 WeakPolarHBondContact CB-OD2 3.37Å; T72-D437 HydrophobicContact CG2-CB 4.34Å; V73-D437 PolarHBondContact N-OD1 2.9Å; V73-D437 PolarHBondContact N-OD2 3.21Å; M74-D437 WeakPolarHBondContact CB-OD2 3.4Å; M74-D437 PolarHBondContact N-OD2 3.47Å; H76-D437 IonicContact CD2-OD2 2.9Å; H76-D437 IonicContact CE1-OD2 2.61Å; H76-D437 IonicContact NE2-OD2 3.69Å; H76-D437 PolarHBondContact NE2-OD2 3.05Å; G433-D437 VanDerWaalsContact O-CG 3.32Å; G433-D437 PolarHBondContact O-N 2.78Å; H434-D437 PolarHBondContact O-N 2.55Å; W435-D437 PolarHBondContact O-N 3.36Å; D437-M439 PolarHBondContact O-N 3.46Å; D437-R504 IonicContact OD1-CZ 3.17Å; D437-R504 IonicContact OD1-NE 3Å; D437-R504 PolarHBondContact OD1-NE 3.43Å; D437-R504 IonicContact OD1-NH1 3.82Å; D437-R504 IonicContact OD1-NH2 3.83Å
438	L	98.3	Very high	97.7	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.1	173.4	-57.5	179.3	0	0	0	113.8	Y390 L393 E394 L395 W435 L436 N440 V449	Y390-L438 WeakPolarHBondContact CE1-O 3.38Å; Y390-L438 PolarHBondContact OH-O 3.48Å; L393-L438 HydrophobicContact CB-CD2 3.88Å; L393-L438 HydrophobicContact CD1-CD2 4.21Å; L393-L438 HydrophobicContact CD2-CD2 4.31Å; L393-L438 HydrophobicContact CG-CD2 4.35Å; E394-L438 WeakPolarHBondContact O-CD2 3.45Å; L395-L438 HydrophobicContact CB-CD2 4.45Å; L395-L438 HydrophobicContact CD1-CD1 4.16Å; L395-L438 HydrophobicContact CD2-CD1 4.25Å; W435-L438 HydrophobicContact CD2-CD1 4.4Å; W435-L438 HydrophobicContact CE3-CD1 3.78Å; W435-L438 HydrophobicContact CZ3-CD1 4.12Å; W435-L438 WeakPolarHBondContact O-CB 3.36Å; W435-L438 PolarHBondContact O-N 3.2Å; L436-L438 VanDerWaalsContact C-N 3.27Å; L436-L438 PolarHBondContact O-N 3.42Å; L438-N440 PolarHBondContact O-N 3.45Å; L438-V449 HydrophobicContact CD1-CB 4.45Å; L438-V449 HydrophobicContact CD1-CG1 4.07Å; L438-V449 HydrophobicContact CD1-CG2 3.7Å
439	M	98	Very high	97.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.			trans	-56.8	132.9	-173.7	-71.5	172.2	75.2	0	0	112.8	C68 Y390 L436 D437 G443 W444 I445 R504 L507 W508	C68-M439 HydrophobicContact CB-CB 4.1Å; C68-M439 WeakPolarHBondContact CB-O 3.38Å; C68-M439 PolarHBondContact N-O 2.76Å; Y390-M439 PolarHBondContact OH-O 3.12Å; L436-M439 HydrophobicContact CD2-SD 4.04Å; L436-M439 WeakPolarHBondContact O-CB 3.26Å; L436-M439 WeakPolarHBondContact O-CG 3.11Å; L436-M439 PolarHBondContact O-N 2.76Å; L436-M439 VanDerWaalsContact O-SD 3.41Å; D437-M439 PolarHBondContact O-N 3.46Å; M439-G443 WeakPolarHBondContact CE-O 3.18Å; M439-W444 WeakPolarHBondContact CA-O 3.23Å; M439-I445 HydrophobicContact CG-CD1 3.81Å; M439-I445 HydrophobicContact CG-CG1 3.39Å; M439-I445 HydrophobicContact SD-CD1 4.3Å; M439-I445 HydrophobicContact SD-CG1 4.43Å; M439-R504 WeakPolarHBondContact CE-O 3.35Å; M439-R504 HydrophobicContact SD-CB 3.87Å; M439-R504 HydrophobicContact SD-CG 4.36Å; M439-L507 HydrophobicContact CE-CB 3.97Å; M439-L507 HydrophobicContact CE-CD2 4.03Å; M439-L507 HydrophobicContact CE-CG 3.94Å; M439-W508 HydrophobicContact CE-CB 3.57Å; M439-W508 HydrophobicContact CE-CG 4.41Å; M439-W508 HydrophobicContact SD-CB 4.24Å
440	N	97.5	Very high	97.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-74.2	-179.7	165.2	82.7	-12.5	0	0	0	111	T66 C68 Y390 L438 E442 G443 W444	T66-N440 CarbonylContact O-C 3.5Å; T66-N440 VanDerWaalsContact O-CA 3.31Å; T66-N440 WeakPolarHBondContact O-CA 3.28Å; T66-N440 WeakPolarHBondContact O-CB 3.42Å; C68-N440 WeakPolarHBondContact CB-O 3.45Å; Y390-N440 PolarHBondContact OH-N 2.92Å; L438-N440 PolarHBondContact O-N 3.45Å; N440-E442 PolarHBondContact ND2-OE2 2.92Å; N440-E442 PolarHBondContact O-N 2.8Å; N440-E442 WeakPolarHBondContact OD1-CA 3.48Å; N440-E442 WeakPolarHBondContact OD1-CB 3.48Å; N440-E442 PolarHBondContact OD1-N 3.38Å; N440-G443 PolarHBondContact O-N 2.92Å; N440-G443 PolarHBondContact OD1-N 3.06Å; N440-G443 VanDerWaalsContact OD1-N 3.1Å; N440-W444 PolarHBondContact N-O 2.71Å; N440-W444 VanDerWaalsContact N-O 3.15Å; N440-W444 WeakPolarHBondContact OD1-CB 3.29Å; N440-W444 PolarHBondContact OD1-N 2.7Å
441	V	97.5	Very high	97.6	Very high	58 Å²	58	9.8 Å²	9.8	35%	0.352	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25	-179.1	71.5	0	0	0	0	113.9	V63 T66	V63-V441 HydrophobicContact CG1-CG1 3.87Å; T66-V441 HydrophobicContact CG2-CB 3.96Å; T66-V441 HydrophobicContact CG2-CG1 4.19Å; T66-V441 HydrophobicContact CG2-CG2 4.38Å; T66-V441 PolarHBondContact O-N 3.03Å
442	E	96.7	Very high	97.4	Very high	68 Å²	68	11.3 Å²	11.3	32%	0.318	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-21.3	177.8	-52.6	174.6	108.7	0	0	112.2	V63 N440 N468 W511	V63-E442 HydrophobicContact CG1-CG 3.26Å; V63-E442 WeakPolarHBondContact CG1-OE1 3.15Å; N440-E442 PolarHBondContact ND2-OE2 2.92Å; N440-E442 PolarHBondContact O-N 2.8Å; N440-E442 WeakPolarHBondContact OD1-CA 3.48Å; N440-E442 WeakPolarHBondContact OD1-CB 3.48Å; N440-E442 PolarHBondContact OD1-N 3.38Å; E442-N468 PolarHBondContact OE2-ND2 3.32Å; E442-W511 WeakPolarHBondContact O-CB 3.46Å
443	G	97.8	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.			trans	93.2	19.5	-170.8	0	0	0	0	0	115.3	M439 N440 W508	M439-G443 WeakPolarHBondContact CE-O 3.18Å; N440-G443 PolarHBondContact O-N 2.92Å; N440-G443 PolarHBondContact OD1-N 3.06Å; N440-G443 VanDerWaalsContact OD1-N 3.1Å; G443-W508 VanDerWaalsContact O-CD1 3.29Å
444	W	98.1	Very high	97.1	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.092	C	C	.	.			trans	-79.5	138.3	172.8	171.6	59.6	0	0	0	111.3	I64 V379 M439 N440 P446 Q466 R467 N468 V470 W511	I64-W444 HydrophobicContact CD1-CH2 4.3Å; I64-W444 HydrophobicContact CD1-CZ3 3.95Å; I64-W444 HydrophobicContact CG1-CE3 4.16Å; I64-W444 HydrophobicContact CG1-CZ3 3.7Å; V379-W444 HydrophobicContact CB-CH2 4.14Å; V379-W444 HydrophobicContact CB-CZ3 4.27Å; V379-W444 HydrophobicContact CG1-CH2 3.78Å; V379-W444 HydrophobicContact CG1-CZ3 3.97Å; M439-W444 WeakPolarHBondContact CA-O 3.23Å; N440-W444 PolarHBondContact N-O 2.71Å; N440-W444 VanDerWaalsContact N-O 3.15Å; N440-W444 WeakPolarHBondContact OD1-CB 3.29Å; N440-W444 PolarHBondContact OD1-N 2.7Å; W444-P446 HydrophobicContact CH2-CB 4.19Å; W444-P446 HydrophobicContact CH2-CG 3.86Å; W444-P446 HydrophobicContact CZ2-CB 3.97Å; W444-P446 HydrophobicContact CZ2-CG 4.01Å; W444-P446 HydrophobicContact CZ3-CG 4.15Å; W444-Q466 HydrophobicContact CH2-CB 3.94Å; W444-Q466 HydrophobicContact CZ2-CB 3.96Å; W444-R467 VanDerWaalsContact CZ2-C 3.41Å; W444-R467 WeakPolarHBondContact CZ2-O 3.35Å; W444-N468 HydrophobicContact CB-CB 4.38Å; W444-N468 HydrophobicContact CD2-CB 3.52Å; W444-N468 VanDerWaalsContact CE2-CA 3.44Å; W444-N468 HydrophobicContact CE3-CB 3.58Å; W444-N468 HydrophobicContact CG-CB 3.88Å; W444-N468 HydrophobicContact CH2-CB 4.39Å; W444-N468 HydrophobicContact CZ2-CB 4.36Å; W444-N468 HydrophobicContact CZ3-CB 4.03Å; W444-V470 PolarHBondContact NE1-O 3.15Å; W444-V470 VanDerWaalsContact NE1-O 3.08Å; W444-W511 HydrophobicContact CB-CD2 4.23Å; W444-W511 HydrophobicContact CB-CZ2 3.87Å; W444-W511 AromaticContact CD1-CH2 3.47Å; W444-W511 VanDerWaalsContact CD1-CH2 3.47Å; W444-W511 AromaticContact CD1-CZ2 3.34Å; W444-W511 HydrophobicContact CG-CH2 4.37Å; W444-W511 AromaticContact CG-CZ2 3.87Å; W444-W511 HydrophobicContact CG-CZ2 3.87Å
445	I	98.1	Very high	96.9	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.015	9%	0.092	C	C	.	.			trans	-116.3	127.8	170.3	-56.1	175.6	0	0	0	107.6	L410 W435 L436 M439 W508	L410-I445 HydrophobicContact CD1-CG2 4.4Å; L410-I445 HydrophobicContact CD2-CB 4.08Å; L410-I445 HydrophobicContact CD2-CG2 3.88Å; W435-I445 HydrophobicContact CE3-CG2 3.81Å; W435-I445 HydrophobicContact CZ3-CG2 4.17Å; L436-I445 HydrophobicContact CD2-CD1 4.24Å; M439-I445 HydrophobicContact CG-CD1 3.81Å; M439-I445 HydrophobicContact CG-CG1 3.39Å; M439-I445 HydrophobicContact SD-CD1 4.3Å; M439-I445 HydrophobicContact SD-CG1 4.43Å; I445-W508 HydrophobicContact CD1-CD2 4.15Å; I445-W508 HydrophobicContact CD1-CG 4.33Å; I445-W508 HydrophobicContact CD1-CZ2 4.42Å
446	P	96.8	Very high	96.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.013	11%	0.111	C	C	.	.			trans	-60	138.2	174	-19.4	30.6	0	0	0	111.9	W444 V449 Q466	W444-P446 HydrophobicContact CH2-CB 4.19Å; W444-P446 HydrophobicContact CH2-CG 3.86Å; W444-P446 HydrophobicContact CZ2-CB 3.97Å; W444-P446 HydrophobicContact CZ2-CG 4.01Å; W444-P446 HydrophobicContact CZ3-CG 4.15Å; P446-V449 HydrophobicContact CB-CG2 4.12Å; P446-Q466 HydrophobicContact CB-CB 4.1Å; P446-Q466 HydrophobicContact CB-CG 4.03Å
447	R	95.1	Very high	96.5	Very high	15 Å²	15	24.1 Å²	24.1	6%	0.057	13%	0.129	C	C	.	.	S	Bend	trans	-64.4	-48.6	179.6	168.5	176.6	174.4	-77.6	13	111.9	F409 L410 N472 L542 D547	F409-R447 HydrophobicContact CD1-CG 4.37Å; F409-R447 HydrophobicContact CE1-CG 3.87Å; F409-R447 VanDerWaalsContact CE1-CZ 3.47Å; F409-R447 VanDerWaalsContact CZ-NH2 3.3Å; L410-R447 PolarHBondContact N-O 3.48Å; R447-N472 HydrophobicContact CB-CB 4.22Å; R447-N472 HydrophobicContact CG-CB 4.2Å; R447-L542 PolarHBondContact NE-O 3.14Å; R447-L542 PolarHBondContact NH2-O 3.32Å; R447-D547 IonicContact NH2-OD1 3.95Å; R447-D547 PolarHBondContact NH2-OD1 3.28Å; R447-D547 IonicContact NH2-OD2 3.61Å
448	E	95.9	Very high	96.1	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.2	172.4	-69	-174.5	-127.5	0	0	109	R407 F409 I450 Q466	R407-E448 IonicContact CZ-OE2 2.87Å; R407-E448 IonicContact NE-OE2 3.99Å; R407-E448 PolarHBondContact NE-OE2 2.69Å; R407-E448 IonicContact NH2-OE2 3.84Å; R407-E448 PolarHBondContact NH2-OE2 3.37Å; F409-E448 HydrophobicContact CD1-CG 4.31Å; F409-E448 HydrophobicContact CD2-CG 3.59Å; F409-E448 HydrophobicContact CE1-CG 4.29Å; F409-E448 VanDerWaalsContact CE2-CD 3.49Å; F409-E448 HydrophobicContact CE2-CG 3.58Å; F409-E448 HydrophobicContact CG-CG 4.01Å; F409-E448 HydrophobicContact CZ-CG 3.99Å; E448-I450 HydrophobicContact CB-CD1 3.93Å; E448-Q466 VanDerWaalsContact O-CG 3.32Å; E448-Q466 WeakPolarHBondContact O-CG 3.34Å
449	V	96.8	Very high	95.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	99.3	-175.9	177.2	0	0	0	0	108.8	L395 G408 W435 L438 P446 L451	L395-V449 HydrophobicContact CD2-CB 3.77Å; L395-V449 HydrophobicContact CD2-CG1 3.6Å; L395-V449 HydrophobicContact CD2-CG2 4.37Å; G408-V449 PolarHBondContact O-N 3.01Å; W435-V449 HydrophobicContact CE3-CG2 4.39Å; W435-V449 HydrophobicContact CH2-CB 4.25Å; W435-V449 HydrophobicContact CH2-CG2 3.77Å; W435-V449 HydrophobicContact CZ3-CB 4.38Å; W435-V449 HydrophobicContact CZ3-CG2 3.46Å; W435-V449 VanDerWaalsContact CZ3-CG2 3.46Å; L438-V449 HydrophobicContact CD1-CB 4.45Å; L438-V449 HydrophobicContact CD1-CG1 4.07Å; L438-V449 HydrophobicContact CD1-CG2 3.7Å; P446-V449 HydrophobicContact CB-CG2 4.12Å; V449-L451 HydrophobicContact CG1-CD1 3.61Å; V449-L451 HydrophobicContact CG1-CD2 4.16Å; V449-L451 HydrophobicContact CG1-CG 3.56Å
450	I	97.4	Very high	95.6	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.062	16%	0.158	C	C	.	.			trans	-98.7	100	178.6	-52.6	80.5	0	0	0	107.8	E448 A455 L456 V459	E448-I450 HydrophobicContact CB-CD1 3.93Å; I450-A455 HydrophobicContact CG2-CB 3.98Å; I450-L456 HydrophobicContact CG2-CB 4.12Å; I450-L456 HydrophobicContact CG2-CD1 4.17Å; I450-V459 HydrophobicContact CG1-CB 4.44Å; I450-V459 HydrophobicContact CG1-CG1 4.32Å; I450-V459 HydrophobicContact CG1-CG2 3.83Å; I450-V459 HydrophobicContact CG2-CG2 4.25Å
451	L	97	Very high	95.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.189	C	C	.	.			trans	-121.8	126.6	178.4	-52.2	173.4	0	0	0	109.8	F373 H374 A377 L393 L395 V449 A455	F373-L451 HydrophobicContact CB-CB 3.97Å; F373-L451 HydrophobicContact CB-CD1 4.32Å; H374-L451 CarbonylContact O-C 3.55Å; A377-L451 HydrophobicContact CB-CD2 3.99Å; L393-L451 HydrophobicContact CB-CD1 3.8Å; L393-L451 HydrophobicContact CB-CD2 4.04Å; L393-L451 HydrophobicContact CD1-CD2 4.13Å; L395-L451 HydrophobicContact CB-CD1 4.06Å; V449-L451 HydrophobicContact CG1-CD1 3.61Å; V449-L451 HydrophobicContact CG1-CD2 4.16Å; V449-L451 HydrophobicContact CG1-CG 3.56Å; L451-A455 WeakPolarHBondContact O-CB 3.47Å
452	G	94.5	Very high	94.8	Very high	32 Å²	32	40.8 Å²	40.8	33%	0.33	20%	0.201	S	C	.	.	S	Bend	trans	89.3	157.3	-177.3	0	0	0	0	0	113.1	H374 E454 A455 L456	H374-G452 PolarHBondContact O-N 2.89Å; G452-E454 VanDerWaalsContact C-N 3.31Å; G452-E454 PolarHBondContact O-N 3.28Å; G452-A455 PolarHBondContact O-N 2.98Å; G452-L456 WeakPolarHBondContact O-CB 3.4Å; G452-L456 PolarHBondContact O-N 3.4Å; G452-L456 VanDerWaalsContact O-N 3.1Å
453	T	94.6	Very high	94.6	Very high	63 Å²	63	41.9 Å²	41.9	39%	0.387	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-33.3	-179	47.1	0	0	0	0	112	D253 L456 R457	D253-T453 VanDerWaalsContact CG-OG1 3.3Å; D253-T453 WeakPolarHBondContact OD1-CB 3.22Å; D253-T453 PolarHBondContact OD1-OG1 2.82Å; D253-T453 VanDerWaalsContact OD2-CB 3.23Å; D253-T453 WeakPolarHBondContact OD2-CB 3.44Å; D253-T453 VanDerWaalsContact OD2-CG2 3.29Å; D253-T453 WeakPolarHBondContact OD2-CG2 3.16Å; D253-T453 PolarHBondContact OD2-OG1 3.38Å; T453-L456 PolarHBondContact O-N 3.03Å; T453-R457 PolarHBondContact O-N 3.47Å
454	E	94.9	Very high	94.5	Very high	35 Å²	35	42.1 Å²	42.1	16%	0.164	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-47.5	175.9	-71.1	-169.3	99.7	0	0	111.7	R91 N93 W129 A254 A255 G452	R91-E454 IonicContact CZ-OE1 3.81Å; R91-E454 IonicContact NE-OE1 3.73Å; R91-E454 IonicContact NE-OE2 3.39Å; R91-E454 IonicContact NH2-OE1 2.67Å; R91-E454 PolarHBondContact NH2-OE1 3.18Å; R91-E454 IonicContact NH2-OE2 2.86Å; N93-E454 PolarHBondContact ND2-OE1 3.47Å; W129-E454 HydrophobicContact CH2-CB 3.81Å; W129-E454 HydrophobicContact CH2-CG 4.13Å; W129-E454 VanDerWaalsContact CH2-O 3.28Å; W129-E454 WeakPolarHBondContact CH2-O 3.34Å; W129-E454 HydrophobicContact CZ2-CB 4.48Å; W129-E454 HydrophobicContact CZ2-CG 4.31Å; A254-E454 HydrophobicContact CB-CG 4.5Å; A255-E454 HydrophobicContact CB-CG 4.15Å; G452-E454 VanDerWaalsContact C-N 3.31Å; G452-E454 PolarHBondContact O-N 3.28Å
455	A	95.2	Very high	94.5	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-42.9	176.1	0	0	0	0	0	111.2	F373 I450 L451 G452 R457 K458 V459	F373-A455 HydrophobicContact CD1-CB 4.37Å; F373-A455 HydrophobicContact CE1-CB 4.46Å; I450-A455 HydrophobicContact CG2-CB 3.98Å; L451-A455 WeakPolarHBondContact O-CB 3.47Å; G452-A455 PolarHBondContact O-N 2.98Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 2.98Å; A455-K458 PolarHBondContact O-N 2.94Å; A455-V459 WeakPolarHBondContact O-CG2 3.35Å
456	L	94.9	Very high	94.4	Very high	76 Å²	76	43.5 Å²	43.5	40%	0.398	21%	0.214	S	C	.	.	H	α-helix	trans	-59.8	-36.3	-178.6	-174.3	64.8	0	0	0	113	I450 G452 T453 K458 V459 V464	I450-L456 HydrophobicContact CG2-CB 4.12Å; I450-L456 HydrophobicContact CG2-CD1 4.17Å; G452-L456 WeakPolarHBondContact O-CB 3.4Å; G452-L456 PolarHBondContact O-N 3.4Å; G452-L456 VanDerWaalsContact O-N 3.1Å; T453-L456 PolarHBondContact O-N 3.03Å; L456-K458 PolarHBondContact O-N 3.48Å; L456-K458 VanDerWaalsContact O-N 3.09Å; L456-V459 PolarHBondContact O-N 3.07Å; L456-V459 VanDerWaalsContact O-N 3.14Å; L456-V464 HydrophobicContact CD1-CB 4.44Å; L456-V464 HydrophobicContact CD1-CG1 3.76Å; L456-V464 HydrophobicContact CD1-CG2 3.71Å
457	R	92.4	Very high	94.4	Very high	99 Å²	99	49.1 Å²	49.1	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.1	-179.7	-166.7	173.3	-174.1	-162.8	-3.7	113.5	W129 A255 D258 E259 T453 A455	W129-R457 HydrophobicContact CH2-CB 4.38Å; A255-R457 PolarHBondContact O-NH1 3.11Å; D258-R457 IonicContact OD1-CZ 3.58Å; D258-R457 IonicContact OD1-NH1 3.27Å; D258-R457 PolarHBondContact OD1-NH1 3.33Å; D258-R457 IonicContact OD1-NH2 3.57Å; D258-R457 PolarHBondContact OD1-NH2 3.12Å; D258-R457 IonicContact OD2-CZ 3.9Å; D258-R457 IonicContact OD2-NH1 3.82Å; D258-R457 PolarHBondContact OD2-NH1 3.42Å; D258-R457 IonicContact OD2-NH2 3.62Å; D258-R457 PolarHBondContact OD2-NH2 2.81Å; E259-R457 IonicContact OE1-CZ 3.6Å; E259-R457 IonicContact OE1-NH2 2.84Å; E259-R457 PolarHBondContact OE1-NH2 3.41Å; T453-R457 PolarHBondContact O-N 3.47Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 2.98Å
458	K	91.7	Very high	94.5	Very high	50 Å²	50	49.1 Å²	49.1	22%	0.217	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.9	-177.8	-70.1	-74.5	-169.7	162.7	0	113.6	W129 C130 P406 A455 L456	W129-K458 HydrophobicContact CE3-CG 4.21Å; W129-K458 HydrophobicContact CZ3-CG 3.88Å; C130-K458 PolarHBondContact O-NZ 3.33Å; C130-K458 VanDerWaalsContact O-NZ 3.15Å; P406-K458 HydrophobicContact CG-CB 3.86Å; P406-K458 HydrophobicContact CG-CG 3.84Å; A455-K458 PolarHBondContact O-N 2.94Å; L456-K458 PolarHBondContact O-N 3.48Å; L456-K458 VanDerWaalsContact O-N 3.09Å
459	V	92.5	Very high	94.5	Very high	13 Å²	13	51 Å²	51	8%	0.079	25%	0.248	C	C	.	.	S	Bend	trans	-124.1	119.6	-179.2	-168.9	0	0	0	0	110.3	R407 I450 A455 L456 F463 V464	R407-V459 VanDerWaalsContact CD-CG2 3.49Å; I450-V459 HydrophobicContact CG1-CB 4.44Å; I450-V459 HydrophobicContact CG1-CG1 4.32Å; I450-V459 HydrophobicContact CG1-CG2 3.83Å; I450-V459 HydrophobicContact CG2-CG2 4.25Å; A455-V459 WeakPolarHBondContact O-CG2 3.35Å; L456-V459 PolarHBondContact O-N 3.07Å; L456-V459 VanDerWaalsContact O-N 3.14Å; V459-F463 HydrophobicContact CG1-CB 3.9Å; V459-V464 HydrophobicContact CB-CG2 4.06Å; V459-V464 HydrophobicContact CG1-CG2 3.79Å
460	P	91.6	Very high	94.4	Very high	65 Å²	65	52.2 Å²	52.2	42%	0.422	26%	0.255	S	S	.	.			trans	-56.4	139.4	168.6	-23.3	33.8	0	0	0	111.2	E462 F463	P460-E462 HydrophobicContact CB-CG 4.35Å; P460-E462 VanDerWaalsContact CB-OE1 3.28Å; P460-E462 WeakPolarHBondContact CB-OE1 3.47Å; P460-E462 WeakPolarHBondContact CB-OE2 3.44Å; P460-E462 PolarHBondContact O-N 3.34Å; P460-E462 VanDerWaalsContact O-N 3.07Å; P460-F463 HydrophobicContact CB-CD2 4.02Å; P460-F463 HydrophobicContact CB-CE2 4.45Å; P460-F463 HydrophobicContact CG-CD2 4.19Å; P460-F463 PolarHBondContact O-N 2.99Å
461	W	91	Very high	94.3	Very high	172 Å²	172	51.7 Å²	51.7	65%	0.652	25%	0.253	S	S	*	.	H	α-helix	trans	-53.1	-35.5	-171.3	162.1	-106.8	0	0	0	113.7	I378 F463 V464	I378-W461 HydrophobicContact CD1-CZ3 4.42Å; W461-F463 PolarHBondContact O-N 2.99Å; W461-V464 HydrophobicContact CE3-CB 4.39Å; W461-V464 PolarHBondContact O-N 3.49Å; W461-V464 VanDerWaalsContact O-N 3.15Å
462	E	88.8	Confident	94.3	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.603	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-23.8	179.3	64.1	-89.4	-151.8	0	0	114	P460	P460-E462 HydrophobicContact CB-CG 4.35Å; P460-E462 VanDerWaalsContact CB-OE1 3.28Å; P460-E462 WeakPolarHBondContact CB-OE1 3.47Å; P460-E462 WeakPolarHBondContact CB-OE2 3.44Å; P460-E462 PolarHBondContact O-N 3.34Å; P460-E462 VanDerWaalsContact O-N 3.07Å
463	F	91.6	Very high	94.5	Very high	90 Å²	90	50.3 Å²	50.3	40%	0.395	24%	0.238	S	C	.	.	H	α-helix	trans	-101	-5.7	179	-59.8	-65	0	0	0	113.6	V459 P460 W461 Q466	V459-F463 HydrophobicContact CG1-CB 3.9Å; P460-F463 HydrophobicContact CB-CD2 4.02Å; P460-F463 HydrophobicContact CB-CE2 4.45Å; P460-F463 HydrophobicContact CG-CD2 4.19Å; P460-F463 PolarHBondContact O-N 2.99Å; W461-F463 PolarHBondContact O-N 2.99Å; F463-Q466 PolarHBondContact O-NE2 3.42Å
464	V	96	Very high	94.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-71.3	-44.2	-176.1	175.9	0	0	0	0	111.3	I378 L456 V459 W461 Q466	I378-V464 HydrophobicContact CB-CG1 4.14Å; I378-V464 HydrophobicContact CD1-CG1 3.7Å; I378-V464 HydrophobicContact CG1-CG1 4.37Å; L456-V464 HydrophobicContact CD1-CB 4.44Å; L456-V464 HydrophobicContact CD1-CG1 3.76Å; L456-V464 HydrophobicContact CD1-CG2 3.71Å; V459-V464 HydrophobicContact CB-CG2 4.06Å; V459-V464 HydrophobicContact CG1-CG2 3.79Å; W461-V464 HydrophobicContact CE3-CB 4.39Å; W461-V464 PolarHBondContact O-N 3.49Å; W461-V464 VanDerWaalsContact O-N 3.15Å; V464-Q466 PolarHBondContact O-N 2.92Å; V464-Q466 PolarHBondContact O-NE2 3.37Å
465	T	97.1	Very high	94.8	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.098	21%	0.212	C	C	.	.			trans	-76.2	115.5	-175.8	-60.9	0	0	0	0	111.7	I378 Q380 P387	I378-T465 HydrophobicContact CG2-CG2 4.38Å; I378-T465 WeakPolarHBondContact CG2-OG1 3.19Å; I378-T465 WeakPolarHBondContact O-CA 3.36Å; Q380-T465 HydrophobicContact CB-CG2 3.71Å; P387-T465 HydrophobicContact CB-CG2 4.04Å; P387-T465 HydrophobicContact CG-CG2 4.02Å
466	Q	96.9	Very high	94.9	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.6	176.9	-55.2	-57.1	-57.2	0	0	111.6	I378 V379 Q380 W444 P446 E448 F463 V464	I378-Q466 PolarHBondContact O-N 2.92Å; V379-Q466 CarbonylContact C-O 3.58Å; V379-Q466 WeakPolarHBondContact CA-O 2.94Å; V379-Q466 HydrophobicContact CG1-CB 4.48Å; Q380-Q466 PolarHBondContact N-O 3.39Å; W444-Q466 HydrophobicContact CH2-CB 3.94Å; W444-Q466 HydrophobicContact CZ2-CB 3.96Å; P446-Q466 HydrophobicContact CB-CB 4.1Å; P446-Q466 HydrophobicContact CB-CG 4.03Å; E448-Q466 VanDerWaalsContact O-CG 3.32Å; E448-Q466 WeakPolarHBondContact O-CG 3.34Å; F463-Q466 PolarHBondContact O-NE2 3.42Å; V464-Q466 PolarHBondContact O-N 2.92Å; V464-Q466 PolarHBondContact O-NE2 3.37Å
467	R	96.6	Very high	95.1	Very high	119 Å²	119	42.2 Å²	42.2	45%	0.449	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134	-178	-62.7	-174.4	173.2	84.6	5.1	111.3	Q380 W444 T469 V470	Q380-R467 WeakPolarHBondContact O-CA 3.32Å; Q380-R467 WeakPolarHBondContact O-CG 3.42Å; W444-R467 VanDerWaalsContact CZ2-C 3.41Å; W444-R467 WeakPolarHBondContact CZ2-O 3.35Å; R467-T469 PolarHBondContact O-N 3.02Å; R467-T469 VanDerWaalsContact O-N 3.09Å; R467-V470 HydrophobicContact CB-CG2 4.34Å; R467-V470 WeakPolarHBondContact O-CB 3.15Å; R467-V470 PolarHBondContact O-N 3.35Å
468	N	96.6	Very high	95.3	Very high	16 Å²	16	38.2 Å²	38.2	9%	0.086	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.8	179.1	73.4	-28.5	0	0	0	114.9	I64 S381 E442 W444 W511	I64-N468 HydrophobicContact CD1-CB 3.74Å; I64-N468 HydrophobicContact CG1-CB 3.93Å; S381-N468 WeakPolarHBondContact CA-OD1 3.49Å; S381-N468 WeakPolarHBondContact CB-OD1 3.25Å; E442-N468 PolarHBondContact OE2-ND2 3.32Å; W444-N468 HydrophobicContact CB-CB 4.38Å; W444-N468 HydrophobicContact CD2-CB 3.52Å; W444-N468 VanDerWaalsContact CE2-CA 3.44Å; W444-N468 HydrophobicContact CE3-CB 3.58Å; W444-N468 HydrophobicContact CG-CB 3.88Å; W444-N468 HydrophobicContact CH2-CB 4.39Å; W444-N468 HydrophobicContact CZ2-CB 4.36Å; W444-N468 HydrophobicContact CZ3-CB 4.03Å; N468-W511 VanDerWaalsContact O-CZ2 3.3Å; N468-W511 WeakPolarHBondContact O-CZ2 3.31Å
469	T	95.6	Very high	95.5	Very high	53 Å²	53	35.8 Å²	35.8	33%	0.325	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-21.1	164.4	55.2	0	0	0	0	111.8	V382 R467 Q516 R527	V382-T469 HydrophobicContact CG1-CG2 4.1Å; R467-T469 PolarHBondContact O-N 3.02Å; R467-T469 VanDerWaalsContact O-N 3.09Å; T469-Q516 PolarHBondContact O-NE2 3.17Å; T469-R527 WeakPolarHBondContact O-CB 3.46Å; T469-R527 WeakPolarHBondContact O-CG 3.47Å
470	V	95.3	Very high	95.7	Very high	27 Å²	27	35.2 Å²	35.2	16%	0.164	16%	0.164	C	C	.	.			trans	-87.5	116.6	-177.7	165.6	0	0	0	0	109.6	W444 R467 P543	W444-V470 PolarHBondContact NE1-O 3.15Å; W444-V470 VanDerWaalsContact NE1-O 3.08Å; R467-V470 HydrophobicContact CB-CG2 4.34Å; R467-V470 WeakPolarHBondContact O-CB 3.15Å; R467-V470 PolarHBondContact O-N 3.35Å; V470-P543 HydrophobicContact CB-CG 4.29Å; V470-P543 HydrophobicContact CG1-CB 4.13Å; V470-P543 HydrophobicContact CG1-CG 3.68Å; V470-P543 HydrophobicContact CG2-CG 4.15Å
471	A	96.3	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	15%	0.15	C	C	.	.			trans	-93.1	-170.8	173.2	0	0	0	0	0	111.7	W511 L512 Q516 W526 P543	A471-W511 HydrophobicContact CB-CH2 3.73Å; A471-W511 HydrophobicContact CB-CZ3 3.74Å; A471-L512 HydrophobicContact CB-CD2 4.08Å; A471-Q516 HydrophobicContact CB-CG 4Å; A471-W526 HydrophobicContact CB-CE3 4.31Å; A471-W526 HydrophobicContact CB-CZ3 3.92Å; A471-P543 WeakPolarHBondContact O-CA 3.47Å; A471-P543 WeakPolarHBondContact O-CB 3.38Å
472	N	96.9	Very high	95.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.123	C	C	.	.			trans	-148.2	158	169.2	-151.5	-161.5	0	0	0	109.1	L410 W411 R447 P543	L410-N472 WeakPolarHBondContact CB-OD1 3.48Å; L410-N472 HydrophobicContact CD2-CB 4.03Å; L410-N472 HydrophobicContact CG-CB 4.47Å; W411-N472 WeakPolarHBondContact CA-OD1 3.31Å; W411-N472 WeakPolarHBondContact CB-OD1 3.32Å; W411-N472 PolarHBondContact N-OD1 3.21Å; R447-N472 HydrophobicContact CB-CB 4.22Å; R447-N472 HydrophobicContact CG-CB 4.2Å; N472-P543 VanDerWaalsContact CA-O 3.28Å; N472-P543 WeakPolarHBondContact CA-O 3.28Å
473	P	98.1	Very high	96	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.013	10%	0.095	C	C	.	.			trans	-53.1	129.5	173.4	-27.7	38.6	0	0	0	110.7	W411 V475 W526 P543 S544 W567	W411-P473 HydrophobicContact CE3-CB 4.47Å; W411-P473 HydrophobicContact CE3-CG 4.25Å; P473-V475 HydrophobicContact CB-CG2 3.92Å; P473-V475 PolarHBondContact O-N 3.16Å; P473-W526 HydrophobicContact CB-CH2 4.48Å; P473-W526 HydrophobicContact CG-CH2 4.1Å; P473-W526 HydrophobicContact CG-CZ2 4.18Å; P473-P543 VanDerWaalsContact CD-O 3.32Å; P473-P543 WeakPolarHBondContact CD-O 3.42Å; P473-S544 WeakPolarHBondContact CG-O 3.33Å; P473-W567 HydrophobicContact CB-CD2 4.39Å; P473-W567 HydrophobicContact CB-CZ2 4.06Å
474	P	97.8	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.			trans	-85.9	59.3	-173.9	39.2	-40.3	0	0	0	110.4	F476 F477 W508 L512 W567 S571	P474-F476 PolarHBondContact O-N 2.98Å; P474-F476 VanDerWaalsContact O-N 3.11Å; P474-F477 HydrophobicContact CB-CD2 3.66Å; P474-F477 HydrophobicContact CB-CE2 3.98Å; P474-F477 HydrophobicContact CG-CD2 4.08Å; P474-F477 PolarHBondContact O-N 3.12Å; P474-W508 HydrophobicContact CB-CH2 3.56Å; P474-W508 HydrophobicContact CB-CZ2 3.77Å; P474-W508 HydrophobicContact CB-CZ3 4.09Å; P474-L512 HydrophobicContact CB-CD1 3.69Å; P474-L512 HydrophobicContact CG-CD1 4.08Å; P474-W567 HydrophobicContact CG-CB 4.22Å; P474-W567 HydrophobicContact CG-CE3 4.39Å; P474-S571 WeakPolarHBondContact CG-OG 3.36Å
475	V	97.8	Very high	95.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-27.8	-172.2	-175.6	0	0	0	0	111.8	W411 G414 F415 P473 F477 Y478 T479 W567	W411-V475 HydrophobicContact CE3-CG2 4.23Å; G414-V475 VanDerWaalsContact C-CG1 3.41Å; F415-V475 HydrophobicContact CD2-CG1 4.06Å; F415-V475 HydrophobicContact CD2-CG2 4.21Å; F415-V475 HydrophobicContact CE2-CB 4.48Å; F415-V475 HydrophobicContact CE2-CG1 3.92Å; F415-V475 HydrophobicContact CE2-CG2 3.69Å; F415-V475 HydrophobicContact CG-CG1 4.47Å; F415-V475 HydrophobicContact CZ-CG1 4.35Å; F415-V475 HydrophobicContact CZ-CG2 4.48Å; P473-V475 HydrophobicContact CB-CG2 3.92Å; P473-V475 PolarHBondContact O-N 3.16Å; V475-F477 PolarHBondContact O-N 2.64Å; V475-F477 VanDerWaalsContact O-N 3.17Å; V475-Y478 WeakPolarHBondContact O-CA 3.15Å; V475-Y478 VanDerWaalsContact O-CB 3.26Å; V475-Y478 WeakPolarHBondContact O-CB 3.18Å; V475-Y478 PolarHBondContact O-N 2.87Å; V475-T479 PolarHBondContact O-N 2.78Å; V475-T479 VanDerWaalsContact O-N 3.09Å; V475-T479 PolarHBondContact O-OG1 3.32Å; V475-W567 HydrophobicContact CB-CH2 4.35Å; V475-W567 HydrophobicContact CG1-CH2 4.44Å; V475-W567 HydrophobicContact CG2-CH2 3.9Å; V475-W567 HydrophobicContact CG2-CZ2 4.18Å
476	F	98.1	Very high	95.4	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-32.8	172.7	-67.3	-29.2	0	0	0	113.6	L410 E413 Q417 M432 W435 P474 Y478 T479 L480 W508	L410-F476 HydrophobicContact CD1-CD2 4.14Å; L410-F476 HydrophobicContact CD1-CE2 3.46Å; L410-F476 VanDerWaalsContact CD1-CE2 3.46Å; L410-F476 HydrophobicContact CD1-CZ 3.93Å; E413-F476 HydrophobicContact CB-CE1 4.24Å; E413-F476 HydrophobicContact CB-CZ 4.2Å; E413-F476 HydrophobicContact CG-CE1 3.92Å; E413-F476 HydrophobicContact CG-CZ 3.91Å; Q417-F476 HydrophobicContact CG-CD1 4.44Å; Q417-F476 HydrophobicContact CG-CE1 3.95Å; M432-F476 HydrophobicContact CE-CD1 4.21Å; M432-F476 HydrophobicContact CG-CD1 3.82Å; M432-F476 HydrophobicContact CG-CE1 3.9Å; M432-F476 HydrophobicContact CG-CG 4.2Å; M432-F476 HydrophobicContact CG-CZ 4.33Å; M432-F476 HydrophobicContact SD-CB 4.39Å; M432-F476 HydrophobicContact SD-CD1 4.13Å; M432-F476 HydrophobicContact SD-CG 4.33Å; W435-F476 HydrophobicContact CB-CE2 3.57Å; W435-F476 HydrophobicContact CB-CZ 3.95Å; W435-F476 AromaticContact CD1-CZ 3.74Å; W435-F476 HydrophobicContact CD2-CZ 4.4Å; W435-F476 AromaticContact CG-CE2 3.84Å; W435-F476 HydrophobicContact CG-CE2 3.84Å; W435-F476 AromaticContact CG-CZ 3.74Å; W435-F476 HydrophobicContact CG-CZ 3.74Å; P474-F476 PolarHBondContact O-N 2.98Å; P474-F476 VanDerWaalsContact O-N 3.11Å; F476-Y478 VanDerWaalsContact C-N 3.25Å; F476-Y478 PolarHBondContact O-N 3.29Å; F476-T479 PolarHBondContact O-N 2.81Å; F476-L480 WeakPolarHBondContact O-CB 3.34Å; F476-L480 WeakPolarHBondContact O-CD1 3.35Å; F476-L480 WeakPolarHBondContact O-CG 3.44Å; F476-L480 PolarHBondContact O-N 3.39Å; F476-W508 HydrophobicContact CB-CH2 4.43Å; F476-W508 HydrophobicContact CB-CZ3 4.13Å; F476-W508 HydrophobicContact CD2-CH2 4.13Å; F476-W508 HydrophobicContact CD2-CZ3 4.16Å
477	F	98	Very high	95.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-31.9	173.8	-70.9	-60.8	0	0	0	112.5	P474 V475 N481 L505 W508 L512 S571 S574 M575	P474-F477 HydrophobicContact CB-CD2 3.66Å; P474-F477 HydrophobicContact CB-CE2 3.98Å; P474-F477 HydrophobicContact CG-CD2 4.08Å; P474-F477 PolarHBondContact O-N 3.12Å; V475-F477 PolarHBondContact O-N 2.64Å; V475-F477 VanDerWaalsContact O-N 3.17Å; F477-N481 WeakPolarHBondContact O-CB 3.43Å; F477-N481 PolarHBondContact O-N 3.44Å; F477-L505 HydrophobicContact CE1-CB 4.23Å; F477-L505 HydrophobicContact CE1-CD2 3.83Å; F477-L505 HydrophobicContact CZ-CD2 4.2Å; F477-W508 HydrophobicContact CD2-CE3 4.49Å; F477-W508 HydrophobicContact CD2-CZ3 4.19Å; F477-W508 HydrophobicContact CE2-CD2 4.4Å; F477-W508 AromaticContact CE2-CE3 3.66Å; F477-W508 HydrophobicContact CE2-CE3 3.66Å; F477-W508 AromaticContact CE2-CZ3 3.8Å; F477-W508 HydrophobicContact CE2-CZ3 3.8Å; F477-W508 AromaticContact CZ-CE3 3.79Å; F477-W508 HydrophobicContact CZ-CE3 3.79Å; F477-W508 HydrophobicContact CZ-CZ3 4.22Å; F477-L512 HydrophobicContact CE2-CD1 4.3Å; F477-S571 WeakPolarHBondContact CD2-OG 3.29Å; F477-S574 WeakPolarHBondContact O-CB 3.32Å; F477-S574 PolarHBondContact O-OG 2.8Å; F477-M575 HydrophobicContact CD1-CG 4.34Å; F477-M575 HydrophobicContact CD1-SD 4.29Å; F477-M575 HydrophobicContact CE1-CG 3.81Å; F477-M575 HydrophobicContact CE1-SD 3.51Å; F477-M575 VanDerWaalsContact CE1-SD 3.51Å; F477-M575 HydrophobicContact CZ-CG 4.43Å; F477-M575 HydrophobicContact CZ-SD 4.31Å
478	Y	96.4	Very high	94.8	Very high	15 Å²	15	24.7 Å²	24.7	6%	0.059	14%	0.141	C	C	.	.	H	α-helix	trans	-70	-45.6	175.5	178	-109.6	0	0	0	111.2	L418 V475 F476 N481 L675 Y736 S740 E814	L418-Y478 HydrophobicContact CD1-CD1 4.43Å; L418-Y478 HydrophobicContact CD1-CE1 4.18Å; L418-Y478 HydrophobicContact CD2-CD1 3.67Å; L418-Y478 HydrophobicContact CD2-CE1 3.83Å; V475-Y478 WeakPolarHBondContact O-CA 3.15Å; V475-Y478 VanDerWaalsContact O-CB 3.26Å; V475-Y478 WeakPolarHBondContact O-CB 3.18Å; V475-Y478 PolarHBondContact O-N 2.87Å; F476-Y478 VanDerWaalsContact C-N 3.25Å; F476-Y478 PolarHBondContact O-N 3.29Å; Y478-N481 WeakPolarHBondContact O-CB 3.18Å; Y478-N481 PolarHBondContact O-N 3.48Å; Y478-L675 HydrophobicContact CD2-CD2 3.76Å; Y478-L675 HydrophobicContact CE2-CD2 4.17Å; Y478-L675 HydrophobicContact CG-CD2 4.45Å; Y478-Y736 HydrophobicContact CE1-CE1 4.32Å; Y478-S740 PolarHBondContact OH-OG 2.69Å; Y478-E814 HydrophobicContact CD1-CG 4.36Å; Y478-E814 HydrophobicContact CE1-CB 4.13Å; Y478-E814 HydrophobicContact CE1-CG 3.74Å; Y478-E814 HydrophobicContact CE2-CB 4.22Å
479	T	95.6	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-48.5	174.5	-41.2	0	0	0	0	112.2	G414 Q417 L418 R421 M432 V475 F476 N481 S482 I483	G414-T479 PolarHBondContact O-OG1 3.41Å; G414-T479 VanDerWaalsContact O-OG1 3.11Å; Q417-T479 HydrophobicContact CB-CG2 3.83Å; L418-T479 HydrophobicContact CD2-CG2 4.01Å; L418-T479 VanDerWaalsContact CD2-OG1 3.28Å; L418-T479 WeakPolarHBondContact CD2-OG1 3.38Å; R421-T479 HydrophobicContact CG-CG2 4.36Å; M432-T479 HydrophobicContact CE-CG2 3.45Å; M432-T479 VanDerWaalsContact CE-CG2 3.45Å; V475-T479 PolarHBondContact O-N 2.78Å; V475-T479 VanDerWaalsContact O-N 3.09Å; V475-T479 PolarHBondContact O-OG1 3.32Å; F476-T479 PolarHBondContact O-N 2.81Å; T479-N481 PolarHBondContact O-N 3.32Å; T479-S482 WeakPolarHBondContact O-CB 3.44Å; T479-S482 PolarHBondContact O-N 3.01Å; T479-I483 HydrophobicContact CG2-CD1 4.37Å; T479-I483 PolarHBondContact O-N 3.23Å
480	L	96.8	Very high	94.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-38.7	177.4	-75.1	169	0	0	0	111.3	L429 M432 F476 S482 I483 L484 L498 M501 L505	L429-L480 HydrophobicContact CD2-CD2 4.15Å; M432-L480 HydrophobicContact SD-CD2 3.85Å; M432-L480 HydrophobicContact SD-CG 3.9Å; F476-L480 WeakPolarHBondContact O-CB 3.34Å; F476-L480 WeakPolarHBondContact O-CD1 3.35Å; F476-L480 WeakPolarHBondContact O-CG 3.44Å; F476-L480 PolarHBondContact O-N 3.39Å; L480-S482 PolarHBondContact O-N 3.16Å; L480-I483 PolarHBondContact O-N 2.65Å; L480-L484 VanDerWaalsContact O-CB 3.31Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 WeakPolarHBondContact O-CG 3.4Å; L480-L484 PolarHBondContact O-N 3.14Å; L480-L498 HydrophobicContact CD2-CD2 3.77Å; L480-M501 HydrophobicContact CD2-CE 4.25Å; L480-L505 HydrophobicContact CD1-CD1 3.78Å; L480-L505 HydrophobicContact CD1-CD2 3.83Å; L480-L505 HydrophobicContact CD1-CG 4.48Å
481	N	94.3	Very high	94.6	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-29.7	179.4	177.8	78.1	0	0	0	112.8	F477 Y478 T479 K485 R577	F477-N481 WeakPolarHBondContact O-CB 3.43Å; F477-N481 PolarHBondContact O-N 3.44Å; Y478-N481 WeakPolarHBondContact O-CB 3.18Å; Y478-N481 PolarHBondContact O-N 3.48Å; T479-N481 PolarHBondContact O-N 3.32Å; N481-K485 WeakPolarHBondContact O-CG 3.47Å; N481-K485 PolarHBondContact O-N 2.84Å; N481-R577 PolarHBondContact ND2-NH1 3.25Å; N481-R577 PolarHBondContact O-NH1 3.43Å; N481-R577 PolarHBondContact OD1-NH1 3.29Å
482	S	88.8	Confident	94.5	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	21%	0.207	C	C	.	.	H	α-helix	trans	-78.6	-48.1	173.3	-177.9	0	0	0	0	113	T479 L480 L484 K485 D486 E814	T479-S482 WeakPolarHBondContact O-CB 3.44Å; T479-S482 PolarHBondContact O-N 3.01Å; L480-S482 PolarHBondContact O-N 3.16Å; S482-L484 PolarHBondContact O-N 3.44Å; S482-L484 VanDerWaalsContact O-N 3.14Å; S482-K485 WeakPolarHBondContact O-CB 3.04Å; S482-K485 PolarHBondContact O-N 3.23Å; S482-D486 PolarHBondContact O-N 3.18Å; S482-E814 WeakPolarHBondContact CB-OE2 3.25Å; S482-E814 PolarHBondContact OG-OE2 2.92Å
483	I	94.4	Very high	94.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-51.5	-41.5	174.2	-64.3	174.3	0	0	0	110.3	R421 V425 L429 M432 T479 L480 D486 L490	R421-I483 HydrophobicContact CB-CD1 4.12Å; R421-I483 HydrophobicContact CB-CG1 4.22Å; V425-I483 HydrophobicContact CG1-CG2 4.38Å; L429-I483 HydrophobicContact CD2-CD1 4.1Å; M432-I483 HydrophobicContact CE-CD1 4.27Å; T479-I483 HydrophobicContact CG2-CD1 4.37Å; T479-I483 PolarHBondContact O-N 3.23Å; L480-I483 PolarHBondContact O-N 2.65Å; I483-D486 CarbonylContact O-C 3.57Å; I483-D486 PolarHBondContact O-N 2.76Å; I483-L490 HydrophobicContact CG2-CD2 3.73Å
484	L	94.3	Very high	94.3	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.073	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.5	178.5	-66.5	171.3	0	0	0	114.3	L480 S482 D486 L498 R577 M578 L581	L480-L484 VanDerWaalsContact O-CB 3.31Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 WeakPolarHBondContact O-CG 3.4Å; L480-L484 PolarHBondContact O-N 3.14Å; S482-L484 PolarHBondContact O-N 3.44Å; S482-L484 VanDerWaalsContact O-N 3.14Å; L484-D486 VanDerWaalsContact C-N 3.28Å; L484-L498 HydrophobicContact CD2-CD1 4.28Å; L484-R577 HydrophobicContact CB-CB 4.36Å; L484-R577 HydrophobicContact CD1-CB 4.02Å; L484-M578 HydrophobicContact CD1-CB 4.07Å; L484-M578 HydrophobicContact CD1-SD 4.01Å; L484-M578 HydrophobicContact CD2-SD 3.87Å; L484-L581 HydrophobicContact CD2-CB 4.37Å; L484-L581 HydrophobicContact CD2-CD2 3.49Å; L484-L581 VanDerWaalsContact CD2-CD2 3.49Å; L484-L581 HydrophobicContact CD2-CG 4.48Å
485	K	90.2	Very high	94.3	Very high	98 Å²	98	42.3 Å²	42.3	43%	0.426	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.6	171.6	-75.9	171.6	-175.2	171.7	0	111.1	N481 S482 E487 E814	N481-K485 WeakPolarHBondContact O-CG 3.47Å; N481-K485 PolarHBondContact O-N 2.84Å; S482-K485 WeakPolarHBondContact O-CB 3.04Å; S482-K485 PolarHBondContact O-N 3.23Å; K485-E487 VanDerWaalsContact C-N 3.27Å; K485-E487 PolarHBondContact O-N 3.42Å; K485-E814 PolarHBondContact NZ-O 3.09Å; K485-E814 PolarHBondContact NZ-OXT 2.92Å
486	D	89	Confident	94.2	Very high	60 Å²	60	46.6 Å²	46.6	32%	0.321	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	35.3	-178.8	-158.5	22.9	0	0	0	112.5	S482 I483 L484 A488 H489	S482-D486 PolarHBondContact O-N 3.18Å; I483-D486 CarbonylContact O-C 3.57Å; I483-D486 PolarHBondContact O-N 2.76Å; L484-D486 VanDerWaalsContact C-N 3.28Å; D486-A488 PolarHBondContact O-N 3.2Å; D486-H489 VanDerWaalsContact CG-ND1 3.3Å; D486-H489 PolarHBondContact O-N 3.27Å; D486-H489 IonicContact OD1-CE1 3.22Å; D486-H489 PolarHBondContact OD1-CE1 3.38Å; D486-H489 IonicContact OD1-CG 2.64Å; D486-H489 IonicContact OD1-ND1 2.62Å; D486-H489 PolarHBondContact OD1-ND1 3Å; D486-H489 IonicContact OD2-CG 3.17Å; D486-H489 IonicContact OD2-ND1 3.42Å; D486-H489 PolarHBondContact OD2-ND1 3.15Å
487	E	89.5	Confident	94.1	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.2	-172.6	-166.3	-165.8	147.8	0	0	113.2	K485 H489 L490 K495 L581	K485-E487 VanDerWaalsContact C-N 3.27Å; K485-E487 PolarHBondContact O-N 3.42Å; E487-H489 PolarHBondContact O-N 2.84Å; E487-L490 HydrophobicContact CB-CD1 4.48Å; E487-L490 HydrophobicContact CG-CD1 4.11Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 3.48Å; E487-L490 VanDerWaalsContact O-N 3.13Å; E487-K495 IonicContact OE1-NZ 3.56Å; E487-K495 PolarHBondContact OE1-NZ 2.92Å; E487-L581 HydrophobicContact CG-CD1 3.72Å; E487-L581 WeakPolarHBondContact OE1-CD1 3.49Å
488	A	91	Very high	94.1	Very high	99 Å²	99	47 Å²	47	82%	0.818	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-61.4	-25.8	-179.6	0	0	0	0	0	113.5	D486	D486-A488 PolarHBondContact O-N 3.2Å
489	H	91.6	Very high	94.2	Very high	143 Å²	143	52.7 Å²	52.7	66%	0.662	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-94.7	-2.1	179.4	-64	94.9	0	0	0	113.4	D486 E487	D486-H489 VanDerWaalsContact CG-ND1 3.3Å; D486-H489 PolarHBondContact O-N 3.27Å; D486-H489 IonicContact OD1-CE1 3.22Å; D486-H489 PolarHBondContact OD1-CE1 3.38Å; D486-H489 IonicContact OD1-CG 2.64Å; D486-H489 IonicContact OD1-ND1 2.62Å; D486-H489 PolarHBondContact OD1-ND1 3Å; D486-H489 IonicContact OD2-CG 3.17Å; D486-H489 IonicContact OD2-ND1 3.42Å; D486-H489 PolarHBondContact OD2-ND1 3.15Å; E487-H489 PolarHBondContact O-N 2.84Å
490	L	95.1	Very high	94.3	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	32%	0.315	C	S	.	.			trans	-76.3	128.8	179.6	-61	-179.5	0	0	0	111.6	V425 I483 E487 D494 K495 L498	V425-L490 HydrophobicContact CG1-CD2 4.07Å; I483-L490 HydrophobicContact CG2-CD2 3.73Å; E487-L490 HydrophobicContact CB-CD1 4.48Å; E487-L490 HydrophobicContact CG-CD1 4.11Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 3.48Å; E487-L490 VanDerWaalsContact O-N 3.13Å; L490-D494 HydrophobicContact CB-CB 4.14Å; L490-D494 HydrophobicContact CD2-CB 4.1Å; L490-K495 HydrophobicContact CB-CG 4.09Å; L490-L498 HydrophobicContact CD1-CD1 3.73Å
491	T	95.9	Very high	94.4	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.46	32%	0.315	S	S	.	.			trans	-72.5	169.6	173	72.9	0	0	0	0	111.5	S493 D494 K495	T491-S493 PolarHBondContact O-N 2.98Å; T491-S493 PolarHBondContact OG1-N 3.14Å; T491-D494 VanDerWaalsContact CB-OD2 3.3Å; T491-D494 WeakPolarHBondContact CB-OD2 3.45Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.39Å; T491-D494 PolarHBondContact N-OD2 3.14Å; T491-D494 PolarHBondContact O-N 3.3Å; T491-D494 PolarHBondContact OG1-N 2.77Å; T491-D494 PolarHBondContact OG1-OD2 3.36Å; T491-K495 WeakPolarHBondContact O-CG 3.4Å; T491-K495 PolarHBondContact O-N 3.44Å; T491-K495 VanDerWaalsContact O-N 3.11Å
492	A	95.7	Very high	94.6	Very high	89 Å²	89	58 Å²	58	74%	0.736	31%	0.311	S	S	*	.	H	α-helix	trans	-62.1	-32.8	173	0	0	0	0	0	112.7	L496	A492-L496 WeakPolarHBondContact O-CB 3.32Å; A492-L496 PolarHBondContact O-N 3.4Å; A492-L496 VanDerWaalsContact O-N 3.07Å
493	S	94.6	Very high	95	Very high	59 Å²	59	60 Å²	60	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-47.3	175.6	-169.9	0	0	0	0	110.8	T491 K495 L496 L497	T491-S493 PolarHBondContact O-N 2.98Å; T491-S493 PolarHBondContact OG1-N 3.14Å; S493-K495 VanDerWaalsContact C-N 3.35Å; S493-K495 PolarHBondContact O-N 3.41Å; S493-L496 WeakPolarHBondContact O-CB 3.27Å; S493-L496 PolarHBondContact O-N 3.02Å; S493-L497 PolarHBondContact O-N 2.88Å
494	D	96.2	Very high	95.2	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.032	33%	0.325	C	S	.	.	H	α-helix	trans	-58.9	-47	178.8	-58	-45	0	0	0	111.2	L429 L490 T491 L496 L497 L498	L429-D494 HydrophobicContact CD1-CB 3.72Å; L490-D494 HydrophobicContact CB-CB 4.14Å; L490-D494 HydrophobicContact CD2-CB 4.1Å; T491-D494 VanDerWaalsContact CB-OD2 3.3Å; T491-D494 WeakPolarHBondContact CB-OD2 3.45Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.39Å; T491-D494 PolarHBondContact N-OD2 3.14Å; T491-D494 PolarHBondContact O-N 3.3Å; T491-D494 PolarHBondContact OG1-N 2.77Å; T491-D494 PolarHBondContact OG1-OD2 3.36Å; D494-L496 VanDerWaalsContact C-N 3.27Å; D494-L496 PolarHBondContact O-N 2.92Å; D494-L497 PolarHBondContact O-N 3.03Å; D494-L498 WeakPolarHBondContact O-CB 3.46Å; D494-L498 VanDerWaalsContact O-CG 3.32Å; D494-L498 WeakPolarHBondContact O-CG 3.49Å; D494-L498 PolarHBondContact O-N 2.63Å
495	K	96.5	Very high	95.4	Very high	81 Å²	81	59.5 Å²	59.5	35%	0.352	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-35.2	177.7	-67	-170.8	-174.5	-153.6	0	112	E487 L490 T491 S493 K499	E487-K495 IonicContact OE1-NZ 3.56Å; E487-K495 PolarHBondContact OE1-NZ 2.92Å; L490-K495 HydrophobicContact CB-CG 4.09Å; T491-K495 WeakPolarHBondContact O-CG 3.4Å; T491-K495 PolarHBondContact O-N 3.44Å; T491-K495 VanDerWaalsContact O-N 3.11Å; S493-K495 VanDerWaalsContact C-N 3.35Å; S493-K495 PolarHBondContact O-N 3.41Å; K495-K499 WeakPolarHBondContact O-CB 3.42Å; K495-K499 PolarHBondContact O-N 3.23Å
496	L	95.9	Very high	95.8	Very high	92 Å²	92	56.8 Å²	56.8	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-67.3	-45.8	175.1	177.9	62.9	0	0	0	111.7	A492 S493 D494 K499 R500	A492-L496 WeakPolarHBondContact O-CB 3.32Å; A492-L496 PolarHBondContact O-N 3.4Å; A492-L496 VanDerWaalsContact O-N 3.07Å; S493-L496 WeakPolarHBondContact O-CB 3.27Å; S493-L496 PolarHBondContact O-N 3.02Å; D494-L496 VanDerWaalsContact C-N 3.27Å; D494-L496 PolarHBondContact O-N 2.92Å; L496-K499 PolarHBondContact O-N 2.92Å; L496-R500 WeakPolarHBondContact O-CG 3.44Å; L496-R500 PolarHBondContact O-N 3.28Å
497	L	96.8	Very high	96.3	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-48.5	175.9	-76	176.4	0	0	0	110.9	V73 M74 L429 S493 D494 K499 R500 M501	V73-L497 HydrophobicContact CG1-CD2 4.3Å; M74-L497 HydrophobicContact CE-CD2 4.34Å; M74-L497 HydrophobicContact SD-CD2 4Å; L429-L497 HydrophobicContact CB-CB 4.48Å; L429-L497 HydrophobicContact CB-CD1 3.99Å; S493-L497 PolarHBondContact O-N 2.88Å; D494-L497 PolarHBondContact O-N 3.03Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 2.96Å; L497-R500 CarbonylContact O-C 3.57Å; L497-R500 WeakPolarHBondContact O-CA 3.24Å; L497-R500 WeakPolarHBondContact O-CB 3.49Å; L497-R500 PolarHBondContact O-N 3.45Å; L497-M501 VanDerWaalsContact O-CG 3.26Å; L497-M501 WeakPolarHBondContact O-CG 3.36Å; L497-M501 PolarHBondContact O-N 3.33Å
498	L	98	Very high	96.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.2	-46.7	175.5	-72.8	167.8	0	0	0	111.2	L429 L480 L484 L490 D494 R500 M501 F502 M578 L581	L429-L498 HydrophobicContact CD1-CG 4.19Å; L429-L498 HydrophobicContact CD2-CD2 3.72Å; L429-L498 HydrophobicContact CD2-CG 4.19Å; L480-L498 HydrophobicContact CD2-CD2 3.77Å; L484-L498 HydrophobicContact CD2-CD1 4.28Å; L490-L498 HydrophobicContact CD1-CD1 3.73Å; D494-L498 WeakPolarHBondContact O-CB 3.46Å; D494-L498 VanDerWaalsContact O-CG 3.32Å; D494-L498 WeakPolarHBondContact O-CG 3.49Å; D494-L498 PolarHBondContact O-N 2.63Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.24Å; L498-M501 HydrophobicContact CD2-SD 4.3Å; L498-M501 PolarHBondContact O-N 2.67Å; L498-M501 VanDerWaalsContact O-N 3.11Å; L498-F502 PolarHBondContact O-N 2.65Å; L498-M578 VanDerWaalsContact C-CE 3.41Å; L498-M578 HydrophobicContact CB-CE 3.67Å; L498-M578 HydrophobicContact CB-SD 4.42Å; L498-M578 HydrophobicContact CD2-CE 3.85Å; L498-M578 HydrophobicContact CD2-SD 4.13Å; L498-M578 HydrophobicContact CG-CE 4.39Å; L498-M578 WeakPolarHBondContact O-CE 3.31Å; L498-L581 HydrophobicContact CB-CD2 3.93Å; L498-L581 HydrophobicContact CD1-CD2 3.56Å; L498-L581 HydrophobicContact CG-CD2 4.32Å
499	K	97.8	Very high	97.1	Very high	134 Å²	134	47.1 Å²	47.1	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-58.6	-37.2	175.8	-173.6	175	-179.3	175.6	0	112.9	K495 L496 L497 V582	K495-K499 WeakPolarHBondContact O-CB 3.42Å; K495-K499 PolarHBondContact O-N 3.23Å; L496-K499 PolarHBondContact O-N 2.92Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 2.96Å; K499-V582 HydrophobicContact CB-CG1 4.33Å; K499-V582 HydrophobicContact CG-CG1 4.46Å
500	R	97.8	Very high	97.3	Very high	120 Å²	120	46.1 Å²	46.1	45%	0.453	24%	0.237	S	C	.	.	H	α-helix	trans	-72.3	-34.5	175.1	-71.6	-180	168.9	-172.1	-0.1	113.1	V73 L496 L497 L498 F502 P503	V73-R500 HydrophobicContact CG1-CB 4.17Å; V73-R500 WeakPolarHBondContact O-CD 3.4Å; V73-R500 PolarHBondContact O-NH1 2.93Å; L496-R500 WeakPolarHBondContact O-CG 3.44Å; L496-R500 PolarHBondContact O-N 3.28Å; L497-R500 CarbonylContact O-C 3.57Å; L497-R500 WeakPolarHBondContact O-CA 3.24Å; L497-R500 WeakPolarHBondContact O-CB 3.49Å; L497-R500 PolarHBondContact O-N 3.45Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.24Å; R500-F502 VanDerWaalsContact C-N 3.34Å; R500-P503 WeakPolarHBondContact O-CD 3.46Å
501	M	98.6	Very high	97.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-33.9	177.2	-66.1	169.9	80.5	0	0	112.2	V73 L429 M432 L436 L480 L497 L498 R504 L505	V73-M501 HydrophobicContact CB-CG 4.38Å; V73-M501 HydrophobicContact CG1-CG 3.48Å; V73-M501 VanDerWaalsContact CG1-CG 3.48Å; V73-M501 HydrophobicContact CG2-CB 4.44Å; V73-M501 HydrophobicContact CG2-CG 3.97Å; L429-M501 HydrophobicContact CD2-SD 4.16Å; M432-M501 HydrophobicContact CB-CE 3.45Å; M432-M501 VanDerWaalsContact CB-CE 3.45Å; M432-M501 HydrophobicContact CG-CE 4.47Å; M432-M501 HydrophobicContact SD-CE 4.24Å; L436-M501 HydrophobicContact CD1-CB 3.77Å; L436-M501 HydrophobicContact CD1-CE 3.62Å; L436-M501 HydrophobicContact CD1-CG 3.84Å; L480-M501 HydrophobicContact CD2-CE 4.25Å; L497-M501 VanDerWaalsContact O-CG 3.26Å; L497-M501 WeakPolarHBondContact O-CG 3.36Å; L497-M501 PolarHBondContact O-N 3.33Å; L498-M501 HydrophobicContact CD2-SD 4.3Å; L498-M501 PolarHBondContact O-N 2.67Å; L498-M501 VanDerWaalsContact O-N 3.11Å; M501-R504 PolarHBondContact O-N 3.46Å; M501-L505 HydrophobicContact CB-CD1 3.87Å; M501-L505 HydrophobicContact CB-CG 4.33Å; M501-L505 WeakPolarHBondContact O-CG 3.36Å; M501-L505 PolarHBondContact O-N 3Å
502	F	98.5	Very high	97.6	Very high	13 Å²	13	42 Å²	42	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-52.8	-47.1	-169.3	176.8	-111.8	0	0	0	115.7	L498 R500 R504 L505 K506 M575 M578 V582 D584	L498-F502 PolarHBondContact O-N 2.65Å; R500-F502 VanDerWaalsContact C-N 3.34Å; F502-R504 VanDerWaalsContact C-N 3.32Å; F502-R504 PolarHBondContact O-N 3.26Å; F502-L505 PolarHBondContact O-N 2.99Å; F502-K506 WeakPolarHBondContact O-CB 3.45Å; F502-K506 PolarHBondContact O-N 2.75Å; F502-M575 HydrophobicContact CD2-CE 3.86Å; F502-M575 HydrophobicContact CE2-CE 3.57Å; F502-M578 HydrophobicContact CB-CE 3.95Å; F502-M578 HydrophobicContact CB-CG 4.42Å; F502-M578 HydrophobicContact CD2-CB 4.19Å; F502-M578 HydrophobicContact CD2-CG 3.44Å; F502-M578 VanDerWaalsContact CD2-CG 3.44Å; F502-M578 HydrophobicContact CE2-CB 4.36Å; F502-M578 HydrophobicContact CE2-CG 4.07Å; F502-M578 HydrophobicContact CG-CG 4.34Å; F502-V582 HydrophobicContact CB-CG1 4.06Å; F502-V582 HydrophobicContact CD1-CG2 3.68Å; F502-V582 HydrophobicContact CD2-CG2 4.21Å; F502-V582 HydrophobicContact CE1-CG2 3.66Å; F502-V582 HydrophobicContact CE2-CG2 4.17Å; F502-V582 HydrophobicContact CG-CG1 4.22Å; F502-V582 HydrophobicContact CG-CG2 3.92Å; F502-V582 HydrophobicContact CZ-CG2 3.88Å; F502-D584 HydrophobicContact CE1-CB 3.88Å; F502-D584 VanDerWaalsContact CE1-OD2 3.31Å; F502-D584 WeakPolarHBondContact CE1-OD2 3.43Å; F502-D584 HydrophobicContact CZ-CB 4.09Å
503	P	98.4	Very high	97.7	Very high	55 Å²	55	39.7 Å²	39.7	36%	0.357	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-36.9	178.2	-23.7	35.8	0	0	0	113.3	I70 R500 L507	I70-P503 HydrophobicContact CD1-CB 4.24Å; I70-P503 HydrophobicContact CG2-CB 3.83Å; R500-P503 WeakPolarHBondContact O-CD 3.46Å; P503-L507 PolarHBondContact O-N 2.97Å
504	R	98.5	Very high	97.7	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-42.6	176.2	-74.7	176.7	173.8	-98.1	1.8	111.4	I70 P71 L436 D437 M439 M501 F502 K506 L507 W508	I70-R504 HydrophobicContact CB-CG 4.26Å; I70-R504 HydrophobicContact CD1-CG 4.48Å; I70-R504 HydrophobicContact CG2-CG 3.93Å; I70-R504 PolarHBondContact O-NH2 3.41Å; P71-R504 PolarHBondContact O-NE 3.33Å; L436-R504 HydrophobicContact CB-CB 4.3Å; L436-R504 PolarHBondContact O-NH1 3.38Å; D437-R504 IonicContact OD1-CZ 3.17Å; D437-R504 IonicContact OD1-NE 3Å; D437-R504 PolarHBondContact OD1-NE 3.43Å; D437-R504 IonicContact OD1-NH1 3.82Å; D437-R504 IonicContact OD1-NH2 3.83Å; M439-R504 WeakPolarHBondContact CE-O 3.35Å; M439-R504 HydrophobicContact SD-CB 3.87Å; M439-R504 HydrophobicContact SD-CG 4.36Å; M501-R504 PolarHBondContact O-N 3.46Å; F502-R504 VanDerWaalsContact C-N 3.32Å; F502-R504 PolarHBondContact O-N 3.26Å; R504-K506 VanDerWaalsContact C-N 3.3Å; R504-K506 PolarHBondContact O-N 2.76Å; R504-L507 WeakPolarHBondContact O-CB 3.35Å; R504-L507 PolarHBondContact O-N 2.71Å; R504-L507 VanDerWaalsContact O-N 3.1Å; R504-W508 PolarHBondContact O-N 2.68Å
505	L	98.6	Very high	97.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-42.1	173	-71.3	168.1	0	0	0	112.1	L436 F477 L480 M501 F502 W508 Y509 M575 M578	L436-L505 HydrophobicContact CD1-CD2 3.99Å; L436-L505 HydrophobicContact CD1-CG 3.95Å; L436-L505 HydrophobicContact CD2-CD2 3.95Å; L436-L505 HydrophobicContact CD2-CG 4.44Å; F477-L505 HydrophobicContact CE1-CB 4.23Å; F477-L505 HydrophobicContact CE1-CD2 3.83Å; F477-L505 HydrophobicContact CZ-CD2 4.2Å; L480-L505 HydrophobicContact CD1-CD1 3.78Å; L480-L505 HydrophobicContact CD1-CD2 3.83Å; L480-L505 HydrophobicContact CD1-CG 4.48Å; M501-L505 HydrophobicContact CB-CD1 3.87Å; M501-L505 HydrophobicContact CB-CG 4.33Å; M501-L505 WeakPolarHBondContact O-CG 3.36Å; M501-L505 PolarHBondContact O-N 3Å; F502-L505 PolarHBondContact O-N 2.99Å; L505-W508 HydrophobicContact CD2-CE3 4.29Å; L505-W508 PolarHBondContact O-N 2.65Å; L505-Y509 WeakPolarHBondContact O-CB 3.19Å; L505-Y509 PolarHBondContact O-N 2.85Å; L505-M575 HydrophobicContact CB-CE 4.31Å; L505-M575 HydrophobicContact CB-SD 3.91Å; L505-M578 HydrophobicContact CD1-CE 3.97Å
506	K	98.3	Very high	97.8	Very high	40 Å²	40	38.3 Å²	38.3	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-41.3	174.6	-179.9	171.3	177.7	174.7	0	112	F502 R504 R510 M575 S587 F591	F502-K506 WeakPolarHBondContact O-CB 3.45Å; F502-K506 PolarHBondContact O-N 2.75Å; R504-K506 VanDerWaalsContact C-N 3.3Å; R504-K506 PolarHBondContact O-N 2.76Å; K506-R510 VanDerWaalsContact CE-NH2 3.32Å; K506-R510 WeakPolarHBondContact O-CB 3.25Å; K506-R510 VanDerWaalsContact O-CG 3.25Å; K506-R510 WeakPolarHBondContact O-CG 3.42Å; K506-R510 PolarHBondContact O-N 3.11Å; K506-R510 VanDerWaalsContact O-N 3.11Å; K506-M575 HydrophobicContact CB-CE 3.98Å; K506-S587 PolarHBondContact NZ-OG 3.4Å; K506-F591 HydrophobicContact CG-CZ 4.14Å
507	L	98.5	Very high	97.9	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-43.9	175.4	-178.9	62	0	0	0	111.4	C68 I70 M439 P503 R504 R510 W511	C68-L507 VanDerWaalsContact SG-CD2 3.51Å; I70-L507 HydrophobicContact CD1-CB 4.14Å; I70-L507 HydrophobicContact CD1-CD2 3.88Å; M439-L507 HydrophobicContact CE-CB 3.97Å; M439-L507 HydrophobicContact CE-CD2 4.03Å; M439-L507 HydrophobicContact CE-CG 3.94Å; P503-L507 PolarHBondContact O-N 2.97Å; R504-L507 WeakPolarHBondContact O-CB 3.35Å; R504-L507 PolarHBondContact O-N 2.71Å; R504-L507 VanDerWaalsContact O-N 3.1Å; L507-R510 WeakPolarHBondContact O-CB 3.17Å; L507-R510 PolarHBondContact O-N 3.29Å; L507-W511 WeakPolarHBondContact O-CB 2.99Å; L507-W511 PolarHBondContact O-N 3.18Å
508	W	98.6	Very high	97.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-45.2	179.3	-173.7	36.2	0	0	0	111.8	L410 L436 M439 G443 I445 P474 F476 F477 R504 L505 R510 W511 L512	L410-W508 HydrophobicContact CD2-CZ2 4.16Å; L436-W508 HydrophobicContact CD2-CE3 4.39Å; M439-W508 HydrophobicContact CE-CB 3.57Å; M439-W508 HydrophobicContact CE-CG 4.41Å; M439-W508 HydrophobicContact SD-CB 4.24Å; G443-W508 VanDerWaalsContact O-CD1 3.29Å; I445-W508 HydrophobicContact CD1-CD2 4.15Å; I445-W508 HydrophobicContact CD1-CG 4.33Å; I445-W508 HydrophobicContact CD1-CZ2 4.42Å; P474-W508 HydrophobicContact CB-CH2 3.56Å; P474-W508 HydrophobicContact CB-CZ2 3.77Å; P474-W508 HydrophobicContact CB-CZ3 4.09Å; F476-W508 HydrophobicContact CB-CH2 4.43Å; F476-W508 HydrophobicContact CB-CZ3 4.13Å; F476-W508 HydrophobicContact CD2-CH2 4.13Å; F476-W508 HydrophobicContact CD2-CZ3 4.16Å; F477-W508 HydrophobicContact CD2-CE3 4.49Å; F477-W508 HydrophobicContact CD2-CZ3 4.19Å; F477-W508 HydrophobicContact CE2-CD2 4.4Å; F477-W508 AromaticContact CE2-CE3 3.66Å; F477-W508 HydrophobicContact CE2-CE3 3.66Å; F477-W508 AromaticContact CE2-CZ3 3.8Å; F477-W508 HydrophobicContact CE2-CZ3 3.8Å; F477-W508 AromaticContact CZ-CE3 3.79Å; F477-W508 HydrophobicContact CZ-CE3 3.79Å; F477-W508 HydrophobicContact CZ-CZ3 4.22Å; R504-W508 PolarHBondContact O-N 2.68Å; L505-W508 HydrophobicContact CD2-CE3 4.29Å; L505-W508 PolarHBondContact O-N 2.65Å; W508-R510 VanDerWaalsContact C-N 3.32Å; W508-R510 PolarHBondContact O-N 2.8Å; W508-W511 WeakPolarHBondContact O-CB 3.5Å; W508-W511 PolarHBondContact O-N 3.06Å; W508-L512 HydrophobicContact CD2-CD1 4.18Å; W508-L512 HydrophobicContact CG-CD1 4.35Å; W508-L512 HydrophobicContact CZ2-CD1 4.44Å; W508-L512 WeakPolarHBondContact O-CG 3.22Å; W508-L512 PolarHBondContact O-N 3.39Å
509	Y	98.4	Very high	97.6	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-44.7	173.8	178.3	-83.3	0	0	0	111.7	L505 W511 L512 N513 M568 T572 M575 F591 Y594	L505-Y509 WeakPolarHBondContact O-CB 3.19Å; L505-Y509 PolarHBondContact O-N 2.85Å; Y509-W511 VanDerWaalsContact C-N 3.31Å; Y509-W511 PolarHBondContact O-N 3.28Å; Y509-L512 PolarHBondContact O-N 3.38Å; Y509-N513 HydrophobicContact CD1-CB 4.45Å; Y509-N513 HydrophobicContact CE1-CB 4.15Å; Y509-N513 VanDerWaalsContact O-CB 3.25Å; Y509-N513 WeakPolarHBondContact O-CB 3.49Å; Y509-N513 PolarHBondContact O-N 3.27Å; Y509-M568 HydrophobicContact CD2-CE 4.17Å; Y509-M568 HydrophobicContact CE1-CE 4.46Å; Y509-M568 HydrophobicContact CE2-CE 3.71Å; Y509-T572 PolarHBondContact OH-OG1 3.4Å; Y509-M575 HydrophobicContact CD2-CG 4.43Å; Y509-F591 HydrophobicContact CD1-CD1 4.41Å; Y509-F591 AromaticContact CD1-CE1 3.59Å; Y509-F591 HydrophobicContact CD1-CE1 3.59Å; Y509-F591 HydrophobicContact CD1-CZ 4.5Å; Y509-F591 HydrophobicContact CE1-CD1 4.19Å; Y509-F591 AromaticContact CE1-CE1 3.79Å; Y509-F591 HydrophobicContact CE1-CE1 3.79Å; Y509-F591 HydrophobicContact CG-CE1 4.02Å; Y509-Y594 HydrophobicContact CE1-CD2 4.06Å; Y509-Y594 HydrophobicContact CE1-CE2 4.36Å
510	R	97.9	Very high	97.3	Very high	121 Å²	121	37.7 Å²	37.7	46%	0.457	20%	0.201	S	C	.	.	H	α-helix	trans	-62	-41.2	177.4	-77.6	170.5	169	-178.3	-6.6	111.7	K506 L507 W508 N513 S514	K506-R510 VanDerWaalsContact CE-NH2 3.32Å; K506-R510 WeakPolarHBondContact O-CB 3.25Å; K506-R510 VanDerWaalsContact O-CG 3.25Å; K506-R510 WeakPolarHBondContact O-CG 3.42Å; K506-R510 PolarHBondContact O-N 3.11Å; K506-R510 VanDerWaalsContact O-N 3.11Å; L507-R510 WeakPolarHBondContact O-CB 3.17Å; L507-R510 PolarHBondContact O-N 3.29Å; W508-R510 VanDerWaalsContact C-N 3.32Å; W508-R510 PolarHBondContact O-N 2.8Å; R510-N513 PolarHBondContact O-N 3.4Å; R510-S514 WeakPolarHBondContact O-CB 3.44Å; R510-S514 PolarHBondContact O-N 2.84Å; R510-S514 PolarHBondContact O-OG 3.34Å
511	W	98.2	Very high	97	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-48.9	175.4	-179.6	85.6	0	0	0	111.6	E442 W444 N468 A471 L507 W508 Y509 N513 S514 T515	E442-W511 WeakPolarHBondContact O-CB 3.46Å; W444-W511 HydrophobicContact CB-CD2 4.23Å; W444-W511 HydrophobicContact CB-CZ2 3.87Å; W444-W511 AromaticContact CD1-CH2 3.47Å; W444-W511 VanDerWaalsContact CD1-CH2 3.47Å; W444-W511 AromaticContact CD1-CZ2 3.34Å; W444-W511 HydrophobicContact CG-CH2 4.37Å; W444-W511 AromaticContact CG-CZ2 3.87Å; W444-W511 HydrophobicContact CG-CZ2 3.87Å; N468-W511 VanDerWaalsContact O-CZ2 3.3Å; N468-W511 WeakPolarHBondContact O-CZ2 3.31Å; A471-W511 HydrophobicContact CB-CH2 3.73Å; A471-W511 HydrophobicContact CB-CZ3 3.74Å; L507-W511 WeakPolarHBondContact O-CB 2.99Å; L507-W511 PolarHBondContact O-N 3.18Å; W508-W511 WeakPolarHBondContact O-CB 3.5Å; W508-W511 PolarHBondContact O-N 3.06Å; Y509-W511 VanDerWaalsContact C-N 3.31Å; Y509-W511 PolarHBondContact O-N 3.28Å; W511-N513 PolarHBondContact O-N 3.27Å; W511-S514 PolarHBondContact O-N 3.07Å; W511-S514 PolarHBondContact O-OG 3.44Å; W511-T515 HydrophobicContact CD2-CG2 4.29Å; W511-T515 HydrophobicContact CG-CG2 4.27Å; W511-T515 HydrophobicContact CZ2-CG2 4.31Å; W511-T515 WeakPolarHBondContact O-CB 3.47Å; W511-T515 WeakPolarHBondContact O-CG2 3.43Å; W511-T515 PolarHBondContact O-N 2.95Å; W511-T515 PolarHBondContact O-OG1 3.37Å
512	L	98.2	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-50.5	175.5	-72	164.4	0	0	0	111.2	A471 P474 F477 W508 Y509 S514 Q516 M568	A471-L512 HydrophobicContact CB-CD2 4.08Å; P474-L512 HydrophobicContact CB-CD1 3.69Å; P474-L512 HydrophobicContact CG-CD1 4.08Å; F477-L512 HydrophobicContact CE2-CD1 4.3Å; W508-L512 HydrophobicContact CD2-CD1 4.18Å; W508-L512 HydrophobicContact CG-CD1 4.35Å; W508-L512 HydrophobicContact CZ2-CD1 4.44Å; W508-L512 WeakPolarHBondContact O-CG 3.22Å; W508-L512 PolarHBondContact O-N 3.39Å; Y509-L512 PolarHBondContact O-N 3.38Å; L512-S514 VanDerWaalsContact C-N 3.3Å; L512-S514 PolarHBondContact O-N 3.18Å; L512-Q516 HydrophobicContact CD2-CG 4.49Å; L512-Q516 VanDerWaalsContact O-CB 3.25Å; L512-Q516 WeakPolarHBondContact O-CB 3.5Å; L512-Q516 WeakPolarHBondContact O-CG 3.38Å; L512-Q516 PolarHBondContact O-N 3.12Å; L512-M568 HydrophobicContact CB-CE 4.22Å; L512-M568 HydrophobicContact CB-SD 3.92Å
513	N	96.9	Very high	96.7	Very high	42 Å²	42	38.7 Å²	38.7	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-35.8	-176.7	-172.7	64.3	0	0	0	112.9	Y509 R510 W511 A517 F524 M568	Y509-N513 HydrophobicContact CD1-CB 4.45Å; Y509-N513 HydrophobicContact CE1-CB 4.15Å; Y509-N513 VanDerWaalsContact O-CB 3.25Å; Y509-N513 WeakPolarHBondContact O-CB 3.49Å; Y509-N513 PolarHBondContact O-N 3.27Å; R510-N513 PolarHBondContact O-N 3.4Å; W511-N513 PolarHBondContact O-N 3.27Å; N513-A517 WeakPolarHBondContact O-CB 3.42Å; N513-F524 WeakPolarHBondContact OD1-CE1 3.23Å; N513-M568 HydrophobicContact CB-CE 3.72Å
514	S	96.2	Very high	96.7	Very high	78 Å²	78	36.3 Å²	36.3	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-85.4	-45.1	-179	55.2	0	0	0	0	113	R510 W511 L512	R510-S514 WeakPolarHBondContact O-CB 3.44Å; R510-S514 PolarHBondContact O-N 2.84Å; R510-S514 PolarHBondContact O-OG 3.34Å; W511-S514 PolarHBondContact O-N 3.07Å; W511-S514 PolarHBondContact O-OG 3.44Å; L512-S514 VanDerWaalsContact C-N 3.3Å; L512-S514 PolarHBondContact O-N 3.18Å
515	T	96.7	Very high	96.7	Very high	38 Å²	38	37.2 Å²	37.2	23%	0.233	21%	0.205	C	C	.	.	H	α-helix	trans	-80.1	-26.6	-173.9	62.7	0	0	0	0	113.1	W511 R527	W511-T515 HydrophobicContact CD2-CG2 4.29Å; W511-T515 HydrophobicContact CG-CG2 4.27Å; W511-T515 HydrophobicContact CZ2-CG2 4.31Å; W511-T515 WeakPolarHBondContact O-CB 3.47Å; W511-T515 WeakPolarHBondContact O-CG2 3.43Å; W511-T515 PolarHBondContact O-N 2.95Å; W511-T515 PolarHBondContact O-OG1 3.37Å; T515-R527 PolarHBondContact O-NE 3.09Å; T515-R527 VanDerWaalsContact O-NE 3.13Å; T515-R527 PolarHBondContact O-NH2 2.76Å
516	Q	97.7	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-102.5	0.9	-178.1	-46.4	-58	-60	0	0	113.6	T469 A471 L512 F524 R525 R527 L564	T469-Q516 PolarHBondContact O-NE2 3.17Å; A471-Q516 HydrophobicContact CB-CG 4Å; L512-Q516 HydrophobicContact CD2-CG 4.49Å; L512-Q516 VanDerWaalsContact O-CB 3.25Å; L512-Q516 WeakPolarHBondContact O-CB 3.5Å; L512-Q516 WeakPolarHBondContact O-CG 3.38Å; L512-Q516 PolarHBondContact O-N 3.12Å; Q516-F524 WeakPolarHBondContact O-CA 3.29Å; Q516-R525 PolarHBondContact O-N 2.91Å; Q516-R527 PolarHBondContact O-NH1 3.43Å; Q516-L564 HydrophobicContact CB-CD2 3.85Å
517	A	97.2	Very high	96.5	Very high	35 Å²	35	37.5 Å²	37.5	29%	0.289	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-54.9	145.1	174	0	0	0	0	0	112.3	N513 R527	N513-A517 WeakPolarHBondContact O-CB 3.42Å; A517-R527 PolarHBondContact O-NH1 3.46Å; A517-R527 PolarHBondContact O-NH2 3.27Å
518	G	95.7	Very high	96.3	Very high	17 Å²	17	38.6 Å²	38.6	18%	0.175	22%	0.224	C	C	.	.			trans	-85.6	-174.5	170.6	0	0	0	0	0	112.3	Q520 T523	G518-Q520 PolarHBondContact O-N 3.29Å; G518-T523 VanDerWaalsContact CA-OG1 3.31Å; G518-T523 WeakPolarHBondContact CA-OG1 3.05Å; G518-T523 PolarHBondContact N-O 3.24Å
519	S	93.4	Very high	96.1	Very high	70 Å²	70	39.4 Å²	39.4	49%	0.49	23%	0.227	S	C	.	.	S	Bend	trans	-68.5	-23.7	-179.7	57	0	0	0	0	113.4	D558	S519-D558 PolarHBondContact OG-OD1 3.08Å
520	Q	91.8	Very high	96	Very high	106 Å²	106	42.9 Å²	42.9	50%	0.495	25%	0.246	S	C	.	.	S	Bend	trans	-109.2	147	179.6	-61.6	177.4	52.4	0	0	111	G518 G522 T523	G518-Q520 PolarHBondContact O-N 3.29Å; Q520-G522 PolarHBondContact O-N 3.04Å; Q520-T523 HydrophobicContact CB-CG2 3.82Å; Q520-T523 PolarHBondContact N-OG1 3.23Å; Q520-T523 WeakPolarHBondContact O-CB 3.28Å; Q520-T523 PolarHBondContact O-N 2.72Å; Q520-T523 PolarHBondContact O-OG1 2.5Å
521	L	91.1	Very high	95.8	Very high	146 Å²	146	43.4 Å²	43.4	76%	0.764	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	131.8	176.8	-177.4	65.6	0	0	0	110.7	T523 M597	L521-T523 VanDerWaalsContact C-N 3.26Å; L521-T523 PolarHBondContact O-N 2.87Å; L521-M597 HydrophobicContact CD1-CE 4.38Å; L521-M597 HydrophobicContact CD1-SD 4.17Å; L521-M597 HydrophobicContact CG-SD 4.15Å
522	G	93.1	Very high	95.6	Very high	8 Å²	8	48.4 Å²	48.4	8%	0.082	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-0	-179	0	0	0	0	0	114.8	Q520 F565	Q520-G522 PolarHBondContact O-N 3.04Å; G522-F565 VanDerWaalsContact O-CD2 3.29Å; G522-F565 WeakPolarHBondContact O-CD2 3.28Å; G522-F565 VanDerWaalsContact O-CE2 3.29Å; G522-F565 WeakPolarHBondContact O-CE2 3.37Å
523	T	97.4	Very high	95.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	29%	0.29	C	S	.	.			trans	-93.2	149.8	170.2	66.3	0	0	0	0	111	G518 Q520 L521 Y560 L607	G518-T523 VanDerWaalsContact CA-OG1 3.31Å; G518-T523 WeakPolarHBondContact CA-OG1 3.05Å; G518-T523 PolarHBondContact N-O 3.24Å; Q520-T523 HydrophobicContact CB-CG2 3.82Å; Q520-T523 PolarHBondContact N-OG1 3.23Å; Q520-T523 WeakPolarHBondContact O-CB 3.28Å; Q520-T523 PolarHBondContact O-N 2.72Å; Q520-T523 PolarHBondContact O-OG1 2.5Å; L521-T523 VanDerWaalsContact C-N 3.26Å; L521-T523 PolarHBondContact O-N 2.87Å; T523-Y560 HydrophobicContact CG2-CD1 4.21Å; T523-Y560 HydrophobicContact CG2-CG 4.12Å; T523-L607 HydrophobicContact CG2-CD1 3.87Å; T523-L607 HydrophobicContact CG2-CD2 3.87Å
524	F	98.3	Very high	95.2	Very high	4 Å²	4	51 Å²	51	2%	0.018	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-138.8	146.5	178	-58.1	-84.2	0	0	0	110.9	N513 Q516 Y560 H561 L564 F565 M568 L598	N513-F524 WeakPolarHBondContact OD1-CE1 3.23Å; Q516-F524 WeakPolarHBondContact O-CA 3.29Å; F524-Y560 CarbonylContact O-C 3.57Å; F524-Y560 VanDerWaalsContact O-CA 3.23Å; F524-Y560 WeakPolarHBondContact O-CA 3.45Å; F524-H561 PolarHBondContact O-N 3.24Å; F524-L564 HydrophobicContact CB-CB 4.33Å; F524-L564 HydrophobicContact CB-CD2 3.68Å; F524-L564 HydrophobicContact CB-CG 3.64Å; F524-L564 HydrophobicContact CG-CG 4.46Å; F524-F565 HydrophobicContact CD2-CB 4.36Å; F524-F565 HydrophobicContact CD2-CD2 4.12Å; F524-F565 HydrophobicContact CE2-CD2 4.36Å; F524-M568 HydrophobicContact CD1-CG 3.87Å; F524-M568 HydrophobicContact CD2-CB 4.26Å; F524-M568 HydrophobicContact CD2-CG 4.06Å; F524-M568 HydrophobicContact CE1-CB 4.41Å; F524-M568 HydrophobicContact CE1-CE 4.3Å; F524-M568 HydrophobicContact CE1-CG 3.83Å; F524-M568 HydrophobicContact CE2-CB 3.88Å; F524-M568 HydrophobicContact CE2-CG 4.01Å; F524-M568 HydrophobicContact CG-CG 3.98Å; F524-M568 HydrophobicContact CZ-CB 3.97Å; F524-M568 HydrophobicContact CZ-CG 3.9Å; F524-L598 HydrophobicContact CE2-CD1 4.47Å; F524-L598 HydrophobicContact CE2-CD2 3.78Å; F524-L598 HydrophobicContact CZ-CD2 4.2Å
525	R	97.8	Very high	95.1	Very high	25 Å²	25	50.3 Å²	50.3	9%	0.094	29%	0.288	C	S	.	.			trans	-145.8	143.1	173.8	45.4	160.9	-150.1	113.8	4.7	112	Q516 R527 Q557 E559 L564	Q516-R525 PolarHBondContact O-N 2.91Å; R525-R527 PolarHBondContact O-NH1 2.86Å; R525-Q557 VanDerWaalsContact NH2-CD 3.32Å; R525-E559 WeakPolarHBondContact CB-O 3.41Å; R525-E559 VanDerWaalsContact CD-O 3.23Å; R525-E559 WeakPolarHBondContact CD-O 3.47Å; R525-E559 VanDerWaalsContact CG-O 3.28Å; R525-E559 WeakPolarHBondContact CG-O 3.46Å; R525-L564 VanDerWaalsContact C-CD2 3.48Å
526	W	97.9	Very high	95	Very high	1 Å²	1	50 Å²	50	0%	0.004	29%	0.285	C	S	.	.			trans	-65	138.2	172.1	-63	120.7	0	0	0	110.3	A471 P473 T541 P543 S544 H561 D563 L564	A471-W526 HydrophobicContact CB-CE3 4.31Å; A471-W526 HydrophobicContact CB-CZ3 3.92Å; P473-W526 HydrophobicContact CB-CH2 4.48Å; P473-W526 HydrophobicContact CG-CH2 4.1Å; P473-W526 HydrophobicContact CG-CZ2 4.18Å; W526-T541 HydrophobicContact CB-CG2 3.51Å; W526-T541 HydrophobicContact CG-CG2 3.85Å; W526-P543 HydrophobicContact CB-CB 4.46Å; W526-P543 HydrophobicContact CE3-CB 4.01Å; W526-P543 WeakPolarHBondContact CZ3-O 3.3Å; W526-S544 VanDerWaalsContact CD1-CB 3.48Å; W526-S544 VanDerWaalsContact NE1-CB 3.26Å; W526-H561 AromaticContact CD1-CG 3.99Å; W526-H561 AromaticContact CD1-ND1 3.14Å; W526-H561 AromaticContact CG-ND1 3.56Å; W526-H561 PolarHBondContact N-CE1 2.85Å; W526-H561 PolarHBondContact N-ND1 3.28Å; W526-D563 PolarHBondContact NE1-OD1 3.01Å; W526-D563 PolarHBondContact NE1-OD2 3.32Å; W526-L564 HydrophobicContact CD2-CB 4.32Å; W526-L564 HydrophobicContact CD2-CD2 3.96Å; W526-L564 HydrophobicContact CE3-CD1 4.36Å; W526-L564 HydrophobicContact CE3-CD2 4.06Å; W526-L564 HydrophobicContact CG-CD2 4.38Å; W526-L564 HydrophobicContact CH2-CD1 3.62Å; W526-L564 HydrophobicContact CH2-CG 4.47Å; W526-L564 HydrophobicContact CZ2-CB 3.9Å; W526-L564 HydrophobicContact CZ2-CD1 3.82Å; W526-L564 HydrophobicContact CZ2-CG 4.28Å; W526-L564 HydrophobicContact CZ3-CD1 3.91Å; W526-L564 HydrophobicContact CZ3-CD2 4.41Å
527	R	96	Very high	94.9	Very high	47 Å²	47	50.5 Å²	50.5	18%	0.177	29%	0.287	C	S	.	.	S	Bend	trans	-84	-177.7	172.8	-57.9	-55	-171.2	-107	11	111.5	T469 T515 Q516 A517 R525 R529 P543	T469-R527 WeakPolarHBondContact O-CB 3.46Å; T469-R527 WeakPolarHBondContact O-CG 3.47Å; T515-R527 PolarHBondContact O-NE 3.09Å; T515-R527 VanDerWaalsContact O-NE 3.13Å; T515-R527 PolarHBondContact O-NH2 2.76Å; Q516-R527 PolarHBondContact O-NH1 3.43Å; A517-R527 PolarHBondContact O-NH1 3.46Å; A517-R527 PolarHBondContact O-NH2 3.27Å; R525-R527 PolarHBondContact O-NH1 2.86Å; R527-R529 VanDerWaalsContact C-N 3.31Å; R527-R529 PolarHBondContact O-N 2.86Å; R527-P543 VanDerWaalsContact O-CG 3.28Å; R527-P543 WeakPolarHBondContact O-CG 3.22Å
528	G	93.7	Very high	94.9	Very high	58 Å²	58	48.9 Å²	48.9	60%	0.598	27%	0.274	S	S	*	.			trans	78.2	3.4	170.9	0	0	0	0	0	116.5
529	R	95.7	Very high	95	Very high	21 Å²	21	48.3 Å²	48.3	8%	0.079	27%	0.266	C	S	.	.			trans	-75	123.6	174.2	-70	164.2	58.4	71.1	-1	110	R527 E531 P539 K540 T541 A552 P555 E559	R527-R529 VanDerWaalsContact C-N 3.31Å; R527-R529 PolarHBondContact O-N 2.86Å; R529-E531 PolarHBondContact O-N 3.1Å; R529-P539 PolarHBondContact NH1-O 3.27Å; R529-P539 VanDerWaalsContact NH1-O 3.07Å; R529-K540 WeakPolarHBondContact CG-O 3.5Å; R529-T541 HydrophobicContact CG-CG2 4.1Å; R529-T541 PolarHBondContact NH1-OG1 3.27Å; R529-A552 PolarHBondContact NH2-O 3.44Å; R529-P555 HydrophobicContact CB-CB 3.9Å; R529-P555 HydrophobicContact CB-CG 3.84Å; R529-E559 IonicContact CZ-OE1 3.29Å; R529-E559 IonicContact CZ-OE2 2.77Å; R529-E559 IonicContact NE-OE1 2.76Å; R529-E559 IonicContact NE-OE2 3.74Å; R529-E559 PolarHBondContact NE-OE2 2.83Å; R529-E559 IonicContact NH2-OE1 3.51Å; R529-E559 PolarHBondContact NH2-OE1 3.43Å; R529-E559 IonicContact NH2-OE2 3.24Å
530	N	94.7	Very high	95.1	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	25%	0.254	S	S	.	.			trans	-77.5	105	179.7	-175.7	-7.1	0	0	0	110.9	T532 T533 P539	N530-T532 VanDerWaalsContact C-N 3.28Å; N530-T532 PolarHBondContact O-N 3.32Å; N530-T532 PolarHBondContact OD1-N 3.23Å; N530-T532 PolarHBondContact OD1-OG1 2.93Å; N530-T533 HydrophobicContact CB-CG2 4.39Å; N530-T533 WeakPolarHBondContact O-CG2 3.35Å; N530-T533 PolarHBondContact OD1-N 3Å; N530-P539 WeakPolarHBondContact O-CB 3.27Å
531	E	94.1	Very high	95.4	Very high	132 Å²	132	42.4 Å²	42.4	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.5	179.9	65.3	-164.6	-149.5	0	0	114.5	R529 P555	R529-E531 PolarHBondContact O-N 3.1Å; E531-P555 HydrophobicContact CB-CB 4.06Å; E531-P555 HydrophobicContact CB-CG 4.46Å
532	T	94.4	Very high	95.6	Very high	112 Å²	112	38.3 Å²	38.3	69%	0.687	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.5	-174.2	63.7	0	0	0	0	114.2	N530 N534	N530-T532 VanDerWaalsContact C-N 3.28Å; N530-T532 PolarHBondContact O-N 3.32Å; N530-T532 PolarHBondContact OD1-N 3.23Å; N530-T532 PolarHBondContact OD1-OG1 2.93Å; T532-N534 PolarHBondContact O-N 2.83Å
533	T	93.4	Very high	95.7	Very high	18 Å²	18	38 Å²	38	11%	0.11	21%	0.206	C	C	.	.			trans	-62.8	131.1	-175.9	-174.1	0	0	0	0	112.1	N530 M535 E536 P539	N530-T533 HydrophobicContact CB-CG2 4.39Å; N530-T533 WeakPolarHBondContact O-CG2 3.35Å; N530-T533 PolarHBondContact OD1-N 3Å; T533-M535 PolarHBondContact OG1-N 3.1Å; T533-E536 HydrophobicContact CG2-CB 3.86Å; T533-E536 HydrophobicContact CG2-CG 4.27Å; T533-E536 PolarHBondContact OG1-N 3.36Å; T533-P539 HydrophobicContact CG2-CB 4.21Å; T533-P539 HydrophobicContact CG2-CG 3.79Å
534	N	93.7	Very high	95.7	Very high	79 Å²	79	38 Å²	38	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	-111.4	5.5	169.3	67.5	-20.7	0	0	0	112.1	T532 R649 R650	T532-N534 PolarHBondContact O-N 2.83Å; N534-R649 CarbonylContact O-C 3.54Å; N534-R649 WeakPolarHBondContact O-CA 3.48Å; N534-R650 WeakPolarHBondContact O-CB 3.5Å; N534-R650 PolarHBondContact O-N 2.98Å
535	M	93.4	Very high	95.6	Very high	62 Å²	62	37.9 Å²	37.9	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	-103.1	-22.2	179.9	-59	-53.8	-69.7	0	0	112.5	T533 E647 F648 R649	T533-M535 PolarHBondContact OG1-N 3.1Å; M535-E647 HydrophobicContact CE-CG 3.8Å; M535-F648 VanDerWaalsContact CE-O 3.29Å; M535-F648 WeakPolarHBondContact CE-O 3.33Å; M535-R649 HydrophobicContact SD-CG 4.16Å
536	E	95.5	Very high	95.6	Very high	33 Å²	33	36.8 Å²	36.8	15%	0.154	20%	0.202	C	C	.	.			trans	-100.5	127.6	-179	-60.9	-176.6	164	0	0	110.8	T533 N538 P539 K540 R650 N718 T719	T533-E536 HydrophobicContact CG2-CB 3.86Å; T533-E536 HydrophobicContact CG2-CG 4.27Å; T533-E536 PolarHBondContact OG1-N 3.36Å; E536-N538 VanDerWaalsContact C-N 3.3Å; E536-N538 PolarHBondContact O-N 3.26Å; E536-P539 VanDerWaalsContact OE2-CA 3.3Å; E536-P539 WeakPolarHBondContact OE2-CA 3.49Å; E536-K540 PolarHBondContact OE2-N 3.4Å; E536-R650 WeakPolarHBondContact O-CD 3.48Å; E536-N718 CarbonylContact C-O 3.56Å; E536-N718 WeakPolarHBondContact CA-O 3.27Å; E536-T719 HydrophobicContact CG-CG2 4Å
537	L	95.6	Very high	95.5	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	21%	0.21	C	C	.	.	S	Bend	trans	-57.5	-41	176.7	-176.7	55.3	0	0	0	112.3	V626 L628 R650 L713 K716 N718	L537-V626 HydrophobicContact CD1-CB 4.12Å; L537-V626 HydrophobicContact CD1-CG2 3.8Å; L537-V626 HydrophobicContact CG-CG2 4.43Å; L537-L628 HydrophobicContact CB-CD1 4.23Å; L537-L628 HydrophobicContact CB-CD2 4.22Å; L537-L628 HydrophobicContact CB-CG 3.98Å; L537-L628 HydrophobicContact CD1-CG 4.23Å; L537-L628 HydrophobicContact CG-CG 4.5Å; L537-R650 WeakPolarHBondContact O-CD 3.47Å; L537-R650 PolarHBondContact O-NE 2.86Å; L537-L713 HydrophobicContact CD1-CD2 4.43Å; L537-L713 HydrophobicContact CD2-CD2 3.43Å; L537-L713 VanDerWaalsContact CD2-CD2 3.43Å; L537-L713 HydrophobicContact CG-CD2 3.77Å; L537-K716 HydrophobicContact CD2-CB 4.05Å; L537-N718 PolarHBondContact N-O 3.46Å
538	N	96.9	Very high	95.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	20%	0.203	C	C	.	.	S	Bend	trans	-136.1	130.2	168.6	-166.2	-91	0	0	0	108.4	E536 K540 R551 L713 N718	E536-N538 VanDerWaalsContact C-N 3.3Å; E536-N538 PolarHBondContact O-N 3.26Å; N538-K540 PolarHBondContact O-N 3.23Å; N538-R551 PolarHBondContact ND2-O 3.05Å; N538-R551 VanDerWaalsContact ND2-O 3.14Å; N538-R551 PolarHBondContact OD1-N 3.32Å; N538-R551 VanDerWaalsContact OD1-N 3.16Å; N538-L713 HydrophobicContact CB-CD1 4.38Å; N538-N718 PolarHBondContact N-OD1 3.1Å; N538-N718 VanDerWaalsContact N-OD1 3.08Å; N538-N718 PolarHBondContact O-ND2 3.07Å; N538-N718 PolarHBondContact O-OD1 3.08Å
539	P	97.2	Very high	95.7	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.026	18%	0.175	C	C	.	.			trans	-57.5	129.5	-179.4	-30.7	39.8	0	0	0	113.2	R529 N530 T533 E536 P555	R529-P539 PolarHBondContact NH1-O 3.27Å; R529-P539 VanDerWaalsContact NH1-O 3.07Å; N530-P539 WeakPolarHBondContact O-CB 3.27Å; T533-P539 HydrophobicContact CG2-CB 4.21Å; T533-P539 HydrophobicContact CG2-CG 3.79Å; E536-P539 VanDerWaalsContact OE2-CA 3.3Å; E536-P539 WeakPolarHBondContact OE2-CA 3.49Å; P539-P555 HydrophobicContact CB-CG 3.7Å; P539-P555 HydrophobicContact CG-CG 3.8Å
540	K	96.4	Very high	95.8	Very high	53 Å²	53	32.8 Å²	32.8	23%	0.23	17%	0.172	C	C	.	.			trans	-62.4	149.9	-178	-68.3	-179.2	-174.2	176.4	0	112.6	R529 E536 N538 L542 D547 D722	R529-K540 WeakPolarHBondContact CG-O 3.5Å; E536-K540 PolarHBondContact OE2-N 3.4Å; N538-K540 PolarHBondContact O-N 3.23Å; K540-L542 HydrophobicContact CB-CD2 4.27Å; K540-L542 HydrophobicContact CB-CG 4.45Å; K540-L542 HydrophobicContact CD-CD2 4.22Å; K540-D547 CarbonylContact C-O 3.52Å; K540-D547 WeakPolarHBondContact CA-O 3.47Å; K540-D547 WeakPolarHBondContact CB-O 3.4Å; K540-D722 WeakPolarHBondContact CE-OD2 3.11Å; K540-D722 IonicContact NZ-OD2 2.99Å; K540-D722 PolarHBondContact NZ-OD2 3.18Å
541	T	97.1	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.			trans	-124.8	59	174.9	-42.8	0	0	0	0	110.6	W526 R529 P543 S544 D547 R551	W526-T541 HydrophobicContact CB-CG2 3.51Å; W526-T541 HydrophobicContact CG-CG2 3.85Å; R529-T541 HydrophobicContact CG-CG2 4.1Å; R529-T541 PolarHBondContact NH1-OG1 3.27Å; T541-P543 VanDerWaalsContact O-N 3.12Å; T541-S544 WeakPolarHBondContact O-CB 3.42Å; T541-S544 PolarHBondContact O-N 2.96Å; T541-S544 PolarHBondContact O-OG 2.87Å; T541-D547 PolarHBondContact N-O 2.85Å; T541-R551 WeakPolarHBondContact OG1-CD 3.44Å
542	L	95.1	Very high	96.1	Very high	59 Å²	59	23 Å²	23	31%	0.309	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-47.1	-38.8	177.9	-51.8	-180	0	0	0	114.1	R447 K540 S544 G545 D547	R447-L542 PolarHBondContact NE-O 3.14Å; R447-L542 PolarHBondContact NH2-O 3.32Å; K540-L542 HydrophobicContact CB-CD2 4.27Å; K540-L542 HydrophobicContact CB-CG 4.45Å; K540-L542 HydrophobicContact CD-CD2 4.22Å; L542-S544 PolarHBondContact O-N 2.57Å; L542-S544 VanDerWaalsContact O-N 3.1Å; L542-G545 PolarHBondContact O-N 2.98Å; L542-G545 VanDerWaalsContact O-N 3.15Å; L542-D547 WeakPolarHBondContact CA-OD1 3.12Å; L542-D547 HydrophobicContact CD2-CB 3.72Å
543	P	96.6	Very high	96.3	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.013	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-65.7	-15.1	-179.2	-27	41.7	0	0	0	113.9	V470 A471 N472 P473 W526 R527 T541	V470-P543 HydrophobicContact CB-CG 4.29Å; V470-P543 HydrophobicContact CG1-CB 4.13Å; V470-P543 HydrophobicContact CG1-CG 3.68Å; V470-P543 HydrophobicContact CG2-CG 4.15Å; A471-P543 WeakPolarHBondContact O-CA 3.47Å; A471-P543 WeakPolarHBondContact O-CB 3.38Å; N472-P543 VanDerWaalsContact CA-O 3.28Å; N472-P543 WeakPolarHBondContact CA-O 3.28Å; P473-P543 VanDerWaalsContact CD-O 3.32Å; P473-P543 WeakPolarHBondContact CD-O 3.42Å; W526-P543 HydrophobicContact CB-CB 4.46Å; W526-P543 HydrophobicContact CE3-CB 4.01Å; W526-P543 WeakPolarHBondContact CZ3-O 3.3Å; R527-P543 VanDerWaalsContact O-CG 3.28Å; R527-P543 WeakPolarHBondContact O-CG 3.22Å; T541-P543 VanDerWaalsContact O-N 3.12Å
544	S	97.4	Very high	96.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-82.8	-11.6	177.7	70.8	0	0	0	0	114.2	P473 W526 T541 L542 L546 R551	P473-S544 WeakPolarHBondContact CG-O 3.33Å; W526-S544 VanDerWaalsContact CD1-CB 3.48Å; W526-S544 VanDerWaalsContact NE1-CB 3.26Å; T541-S544 WeakPolarHBondContact O-CB 3.42Å; T541-S544 PolarHBondContact O-N 2.96Å; T541-S544 PolarHBondContact O-OG 2.87Å; L542-S544 PolarHBondContact O-N 2.57Å; L542-S544 VanDerWaalsContact O-N 3.1Å; S544-L546 PolarHBondContact O-N 3.36Å; S544-L546 PolarHBondContact OG-N 3.34Å; S544-L546 VanDerWaalsContact OG-N 3.16Å; S544-L546 PolarHBondContact OG-O 3.11Å; S544-R551 PolarHBondContact OG-NH2 3.18Å
545	G	96.1	Very high	96.7	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	8%	0.078	C	C	.	.	S	Bend	trans	74.9	-13.5	-166.9	0	0	0	0	0	114.1	L542 W726	L542-G545 PolarHBondContact O-N 2.98Å; L542-G545 VanDerWaalsContact O-N 3.15Å; G545-W726 WeakPolarHBondContact O-CZ2 3.28Å; G545-W726 PolarHBondContact O-NE1 3.48Å
546	L	97.4	Very high	96.8	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.073	C	C	.	.			trans	-104.7	66.8	176.5	-54.4	177.1	0	0	0	109.4	S544 D548 F549 V668 F671 W726	S544-L546 PolarHBondContact O-N 3.36Å; S544-L546 PolarHBondContact OG-N 3.34Å; S544-L546 VanDerWaalsContact OG-N 3.16Å; S544-L546 PolarHBondContact OG-O 3.11Å; L546-D548 PolarHBondContact O-N 2.98Å; L546-F549 HydrophobicContact CB-CB 3.77Å; L546-F549 WeakPolarHBondContact O-CB 3.46Å; L546-F549 PolarHBondContact O-N 3.02Å; L546-F549 VanDerWaalsContact O-N 3.12Å; L546-V668 HydrophobicContact CD1-CG2 3.52Å; L546-F671 HydrophobicContact CD1-CE2 3.97Å; L546-F671 HydrophobicContact CD1-CZ 4.34Å; L546-W726 HydrophobicContact CB-CD2 4.41Å; L546-W726 HydrophobicContact CB-CG 4.41Å; L546-W726 HydrophobicContact CD2-CD2 3.7Å; L546-W726 HydrophobicContact CD2-CE3 3.28Å; L546-W726 HydrophobicContact CD2-CG 4.48Å; L546-W726 HydrophobicContact CD2-CH2 3.83Å; L546-W726 HydrophobicContact CD2-CZ2 4.21Å; L546-W726 HydrophobicContact CD2-CZ3 3.35Å
547	D	95.2	Very high	96.8	Very high	31 Å²	31	18.2 Å²	18.2	17%	0.166	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-52.5	-159.3	-72	-3.5	0	0	0	115.6	R447 K540 T541 L542 Y725	R447-D547 IonicContact NH2-OD1 3.95Å; R447-D547 PolarHBondContact NH2-OD1 3.28Å; R447-D547 IonicContact NH2-OD2 3.61Å; K540-D547 CarbonylContact C-O 3.52Å; K540-D547 WeakPolarHBondContact CA-O 3.47Å; K540-D547 WeakPolarHBondContact CB-O 3.4Å; T541-D547 PolarHBondContact N-O 2.85Å; L542-D547 WeakPolarHBondContact CA-OD1 3.12Å; L542-D547 HydrophobicContact CD2-CB 3.72Å; D547-Y725 HydrophobicContact CB-CD1 4.3Å
548	D	97	Very high	96.8	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	11.8	-179.5	75.6	-28	0	0	0	113.1	L546 N718 Y725 W726 R727	L546-D548 PolarHBondContact O-N 2.98Å; D548-N718 HydrophobicContact CB-CB 4.48Å; D548-Y725 WeakPolarHBondContact OD1-CB 3.42Å; D548-Y725 PolarHBondContact OD2-N 2.86Å; D548-W726 WeakPolarHBondContact OD1-CA 3.31Å; D548-W726 WeakPolarHBondContact OD1-CB 3.34Å; D548-W726 PolarHBondContact OD1-N 2.9Å; D548-R727 PolarHBondContact O-NE 2.9Å; D548-R727 PolarHBondContact O-NH2 2.92Å; D548-R727 WeakPolarHBondContact OD2-CD 3.33Å; D548-R727 IonicContact OD2-CZ 3.64Å; D548-R727 IonicContact OD2-NE 3.6Å; D548-R727 PolarHBondContact OD2-NE 2.85Å
549	F	98.2	Very high	96.9	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.018	11%	0.108	C	C	.	.			trans	-56.6	127.9	176.2	-176.7	-81.9	0	0	0	109.3	L546 R551 V664 V668 L707 W726	L546-F549 HydrophobicContact CB-CB 3.77Å; L546-F549 WeakPolarHBondContact O-CB 3.46Å; L546-F549 PolarHBondContact O-N 3.02Å; L546-F549 VanDerWaalsContact O-N 3.12Å; F549-R551 HydrophobicContact CD1-CG 4.34Å; F549-R551 PolarHBondContact O-N 3Å; F549-V664 HydrophobicContact CE1-CG1 3.85Å; F549-V664 HydrophobicContact CZ-CG1 3.93Å; F549-V668 HydrophobicContact CD1-CB 4.02Å; F549-V668 HydrophobicContact CD1-CG2 3.35Å; F549-V668 HydrophobicContact CD2-CG2 4.21Å; F549-V668 HydrophobicContact CE1-CB 3.46Å; F549-V668 VanDerWaalsContact CE1-CB 3.46Å; F549-V668 HydrophobicContact CE1-CG1 4.27Å; F549-V668 HydrophobicContact CE1-CG2 3.36Å; F549-V668 HydrophobicContact CE2-CB 4.38Å; F549-V668 HydrophobicContact CE2-CG2 4.19Å; F549-V668 HydrophobicContact CG-CG2 3.81Å; F549-V668 HydrophobicContact CZ-CB 3.67Å; F549-V668 HydrophobicContact CZ-CG2 3.8Å; F549-L707 HydrophobicContact CE2-CD1 4.17Å; F549-L707 HydrophobicContact CZ-CD1 4.36Å; F549-W726 HydrophobicContact CB-CB 4.18Å
550	P	97.3	Very high	96.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.11	C	C	.	.			trans	-65.3	130.5	-174.5	-22.1	33	0	0	0	113.3	V664 L707 L713 R727	P550-V664 HydrophobicContact CB-CG1 3.94Å; P550-V664 HydrophobicContact CB-CG2 3.94Å; P550-V664 HydrophobicContact CG-CG1 4.4Å; P550-V664 WeakPolarHBondContact O-CG1 3.25Å; P550-L707 HydrophobicContact CG-CD1 4.32Å; P550-L707 HydrophobicContact CG-CD2 3.82Å; P550-L713 HydrophobicContact CB-CB 4.45Å; P550-L713 HydrophobicContact CB-CD1 3.56Å; P550-L713 HydrophobicContact CG-CB 3.75Å; P550-L713 HydrophobicContact CG-CD1 3.74Å; P550-L713 HydrophobicContact CG-CG 4.38Å; P550-R727 HydrophobicContact CG-CG 4.49Å
551	R	97.7	Very high	97	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	10%	0.099	C	C	.	.			trans	-125.1	-159.5	173.1	-58.5	-175.4	-176.1	-103.4	7.1	110.5	N538 T541 S544 F549 S553 D563 D618 H622	N538-R551 PolarHBondContact ND2-O 3.05Å; N538-R551 VanDerWaalsContact ND2-O 3.14Å; N538-R551 PolarHBondContact OD1-N 3.32Å; N538-R551 VanDerWaalsContact OD1-N 3.16Å; T541-R551 WeakPolarHBondContact OG1-CD 3.44Å; S544-R551 PolarHBondContact OG-NH2 3.18Å; F549-R551 HydrophobicContact CD1-CG 4.34Å; F549-R551 PolarHBondContact O-N 3Å; R551-S553 PolarHBondContact O-N 3.29Å; R551-D563 IonicContact CZ-OD1 2.98Å; R551-D563 IonicContact CZ-OD2 3.65Å; R551-D563 IonicContact NH1-OD1 3.39Å; R551-D563 PolarHBondContact NH1-OD1 3.15Å; R551-D563 IonicContact NH1-OD2 3.99Å; R551-D563 IonicContact NH2-OD1 3.73Å; R551-D563 IonicContact NH2-OD2 2.7Å; R551-D563 PolarHBondContact NH2-OD2 2.79Å; R551-D618 WeakPolarHBondContact CD-OD2 3.23Å; R551-D618 WeakPolarHBondContact CG-OD2 3.41Å; R551-D618 IonicContact CZ-OD2 2.75Å; R551-D618 IonicContact NE-OD2 3.68Å; R551-D618 IonicContact NH1-OD1 2.63Å; R551-D618 IonicContact NH1-OD2 3.56Å; R551-D618 PolarHBondContact NH1-OD2 3.14Å; R551-H622 PolarHBondContact O-ND1 3.08Å
552	A	97.9	Very high	97	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	10%	0.099	C	C	.	.			trans	-51.7	135.4	170.9	0	0	0	0	0	110.1	R529 H554 E559 H622 V661	R529-A552 PolarHBondContact NH2-O 3.44Å; A552-H554 VanDerWaalsContact C-N 3.27Å; A552-H554 PolarHBondContact O-N 3.31Å; A552-E559 HydrophobicContact CB-CG 4.21Å; A552-E559 WeakPolarHBondContact CB-OE1 3.24Å; A552-H622 HydrophobicContact CB-CB 4.19Å; A552-V661 HydrophobicContact CB-CG2 3.84Å
553	S	96.9	Very high	97.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.084	C	C	.	.	S	Bend	trans	-78.7	-16.4	-165.2	60.4	0	0	0	0	112.7	R551 L621 H622 T623 R650	R551-S553 PolarHBondContact O-N 3.29Å; S553-L621 PolarHBondContact N-O 3.07Å; S553-L621 PolarHBondContact OG-O 3.01Å; S553-H622 PolarHBondContact N-ND1 3.23Å; S553-H622 VanDerWaalsContact N-ND1 3.16Å; S553-H622 WeakPolarHBondContact OG-CA 3.26Å; S553-T623 PolarHBondContact OG-N 3.44Å; S553-T623 PolarHBondContact OG-O 2.71Å; S553-R650 PolarHBondContact O-NH2 3.12Å
554	H	97.6	Very high	97.3	Very high	38 Å²	38	16.3 Å²	16.3	18%	0.176	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-129.7	103.6	178.9	-59.3	87.8	0	0	0	108.1	A552 T556 L621 R650 P656	A552-H554 VanDerWaalsContact C-N 3.27Å; A552-H554 PolarHBondContact O-N 3.31Å; H554-T556 PolarHBondContact O-N 2.67Å; H554-L621 HydrophobicContact CB-CB 4.15Å; H554-L621 HydrophobicContact CB-CD2 3.87Å; H554-L621 HydrophobicContact CB-CG 3.94Å; H554-L621 WeakPolarHBondContact CB-O 2.86Å; H554-L621 PolarHBondContact N-O 2.91Å; H554-R650 PolarHBondContact CE1-NH2 3.5Å; H554-R650 VanDerWaalsContact CE1-NH2 3.3Å; H554-R650 PolarHBondContact NE2-NH2 3.32Å; H554-P656 VanDerWaalsContact ND1-CB 3.27Å; H554-P656 WeakPolarHBondContact ND1-CB 3.26Å
555	P	97.5	Very high	97.4	Very high	11 Å²	11	16.3 Å²	16.3	7%	0.071	8%	0.083	C	C	.	.			trans	-58.5	132.2	177.2	-22.7	30.6	0	0	0	111.6	R529 E531 P539 E559	R529-P555 HydrophobicContact CB-CB 3.9Å; R529-P555 HydrophobicContact CB-CG 3.84Å; E531-P555 HydrophobicContact CB-CB 4.06Å; E531-P555 HydrophobicContact CB-CG 4.46Å; P539-P555 HydrophobicContact CB-CG 3.7Å; P539-P555 HydrophobicContact CG-CG 3.8Å; P555-E559 VanDerWaalsContact CA-OE2 3.31Å; P555-E559 WeakPolarHBondContact CA-OE2 3.38Å
556	T	96.8	Very high	97.5	Very high	33 Å²	33	16.1 Å²	16.1	20%	0.202	8%	0.082	C	C	.	.			trans	-145.7	175.5	174.3	72.4	0	0	0	0	110.1	H554 D558 L621	H554-T556 PolarHBondContact O-N 2.67Å; T556-D558 PolarHBondContact O-N 2.98Å; T556-D558 PolarHBondContact OG1-N 3.18Å; T556-L621 HydrophobicContact CG2-CB 3.97Å; T556-L621 HydrophobicContact CG2-CD2 3.78Å
557	Q	95.6	Very high	97.5	Very high	119 Å²	119	16.1 Å²	16.1	56%	0.556	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.3	173.5	-61.7	-66	-33.5	0	0	113.1	R525	R525-Q557 VanDerWaalsContact NH2-CD 3.32Å
558	D	96.1	Very high	97.7	Very high	71 Å²	71	14.7 Å²	14.7	38%	0.38	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.6	-177	-57.4	-51.9	0	0	0	113.4	S519 T556 Y619 L658	S519-D558 PolarHBondContact OG-OD1 3.08Å; T556-D558 PolarHBondContact O-N 2.98Å; T556-D558 PolarHBondContact OG1-N 3.18Å; D558-Y619 WeakPolarHBondContact O-CD1 3.26Å; D558-L658 HydrophobicContact CB-CD2 3.98Å
559	E	97.3	Very high	97.7	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	7%	0.074	C	C	.	.			trans	-76.8	145.7	170.9	-64.3	-172.4	129.5	0	0	111.3	R525 R529 A552 P555 Y619	R525-E559 WeakPolarHBondContact CB-O 3.41Å; R525-E559 VanDerWaalsContact CD-O 3.23Å; R525-E559 WeakPolarHBondContact CD-O 3.47Å; R525-E559 VanDerWaalsContact CG-O 3.28Å; R525-E559 WeakPolarHBondContact CG-O 3.46Å; R529-E559 IonicContact CZ-OE1 3.29Å; R529-E559 IonicContact CZ-OE2 2.77Å; R529-E559 IonicContact NE-OE1 2.76Å; R529-E559 IonicContact NE-OE2 3.74Å; R529-E559 PolarHBondContact NE-OE2 2.83Å; R529-E559 IonicContact NH2-OE1 3.51Å; R529-E559 PolarHBondContact NH2-OE1 3.43Å; R529-E559 IonicContact NH2-OE2 3.24Å; A552-E559 HydrophobicContact CB-CG 4.21Å; A552-E559 WeakPolarHBondContact CB-OE1 3.24Å; P555-E559 VanDerWaalsContact CA-OE2 3.31Å; P555-E559 WeakPolarHBondContact CA-OE2 3.38Å; E559-Y619 VanDerWaalsContact CA-O 3.27Å; E559-Y619 WeakPolarHBondContact CA-O 3.41Å
560	Y	97.3	Very high	97.7	Very high	16 Å²	16	15.3 Å²	15.3	6%	0.063	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-144.7	139	166.1	46.9	-89.1	0	0	0	111.2	T523 F524 L607 H608 Y619	T523-Y560 HydrophobicContact CG2-CD1 4.21Å; T523-Y560 HydrophobicContact CG2-CG 4.12Å; F524-Y560 CarbonylContact O-C 3.57Å; F524-Y560 VanDerWaalsContact O-CA 3.23Å; F524-Y560 WeakPolarHBondContact O-CA 3.45Å; Y560-L607 HydrophobicContact CD2-CB 4.29Å; Y560-L607 HydrophobicContact CE2-CB 3.84Å; Y560-L607 HydrophobicContact CE2-CD2 4.03Å; Y560-L607 HydrophobicContact CE2-CG 4.47Å; Y560-L607 WeakPolarHBondContact CE2-O 3.39Å; Y560-H608 AromaticContact CD2-CE1 3.45Å; Y560-H608 VanDerWaalsContact CD2-CE1 3.45Å; Y560-H608 WeakPolarHBondContact CD2-CE1 3.43Å; Y560-H608 AromaticContact CD2-NE2 3.84Å; Y560-Y619 AromaticContact CD1-CD1 3.8Å; Y560-Y619 HydrophobicContact CD1-CD1 3.8Å; Y560-Y619 HydrophobicContact CD1-CG 4.24Å; Y560-Y619 AromaticContact CE1-CD1 3.04Å; Y560-Y619 HydrophobicContact CE1-CD1 3.04Å; Y560-Y619 HydrophobicContact CE1-CD2 4.3Å; Y560-Y619 AromaticContact CE1-CE1 3.67Å; Y560-Y619 HydrophobicContact CE1-CE1 3.67Å; Y560-Y619 AromaticContact CE1-CG 3.42Å; Y560-Y619 HydrophobicContact CE1-CG 3.42Å; Y560-Y619 VanDerWaalsContact CE1-CG 3.42Å; Y560-Y619 HydrophobicContact CE2-CD1 4.28Å; Y560-Y619 HydrophobicContact CE2-CD2 4.42Å; Y560-Y619 AromaticContact CE2-CG 3.78Å; Y560-Y619 HydrophobicContact CE2-CG 3.78Å; Y560-Y619 AromaticContact CZ-CD1 3.34Å; Y560-Y619 AromaticContact CZ-CD2 3.72Å; Y560-Y619 AromaticContact CZ-CG 3.13Å; Y560-Y619 PolarHBondContact N-O 2.92Å; Y560-Y619 PolarHBondContact O-N 3.21Å; Y560-Y619 WeakPolarHBondContact OH-CB 3.41Å; Y560-Y619 WeakPolarHBondContact OH-CD1 3.45Å; Y560-Y619 WeakPolarHBondContact OH-CD2 3.42Å; Y560-Y619 WeakPolarHBondContact OH-CE2 3.44Å
561	H	98.6	Very high	97.7	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.079	C	C	.	.			trans	-113.4	125.5	-165.3	-56.4	159.2	0	0	0	111.4	F524 W526 D563 L564 F565 D618	F524-H561 PolarHBondContact O-N 3.24Å; W526-H561 AromaticContact CD1-CG 3.99Å; W526-H561 AromaticContact CD1-ND1 3.14Å; W526-H561 AromaticContact CG-ND1 3.56Å; W526-H561 PolarHBondContact N-CE1 2.85Å; W526-H561 PolarHBondContact N-ND1 3.28Å; H561-D563 WeakPolarHBondContact CB-OD1 3.47Å; H561-D563 PolarHBondContact O-N 3.44Å; H561-L564 HydrophobicContact CB-CB 4.34Å; H561-L564 PolarHBondContact O-N 3.12Å; H561-F565 PolarHBondContact O-N 3.49Å; H561-D618 VanDerWaalsContact CA-OD1 3.25Å; H561-D618 WeakPolarHBondContact CA-OD1 3.29Å; H561-D618 IonicContact CD2-OD2 3.58Å
562	V	98.5	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.7	-34.9	-171.7	64.5	0	0	0	0	112.6	F565 S566 L604 H608 D618 V668 P672	V562-F565 PolarHBondContact O-N 3.44Å; V562-S566 WeakPolarHBondContact O-CB 3.45Å; V562-S566 PolarHBondContact O-N 3.44Å; V562-S566 PolarHBondContact O-OG 2.93Å; V562-L604 HydrophobicContact CG2-CD1 4.08Å; V562-H608 VanDerWaalsContact CA-CE1 3.47Å; V562-H608 WeakPolarHBondContact CA-CE1 3.4Å; V562-H608 HydrophobicContact CB-CB 4.24Å; V562-H608 HydrophobicContact CG2-CB 3.93Å; V562-H608 PolarHBondContact N-CE1 3.17Å; V562-D618 PolarHBondContact N-OD1 3.18Å; V562-V668 HydrophobicContact CG1-CG1 3.5Å; V562-V668 VanDerWaalsContact CG1-O 3.25Å; V562-V668 WeakPolarHBondContact CG1-O 3.38Å; V562-P672 HydrophobicContact CG2-CG 3.78Å
563	D	98.6	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-46.7	176.3	59.4	-35.5	0	0	0	110.7	W526 R551 H561 S566 W567 V668 F671	W526-D563 PolarHBondContact NE1-OD1 3.01Å; W526-D563 PolarHBondContact NE1-OD2 3.32Å; R551-D563 IonicContact CZ-OD1 2.98Å; R551-D563 IonicContact CZ-OD2 3.65Å; R551-D563 IonicContact NH1-OD1 3.39Å; R551-D563 PolarHBondContact NH1-OD1 3.15Å; R551-D563 IonicContact NH1-OD2 3.99Å; R551-D563 IonicContact NH2-OD1 3.73Å; R551-D563 IonicContact NH2-OD2 2.7Å; R551-D563 PolarHBondContact NH2-OD2 2.79Å; H561-D563 WeakPolarHBondContact CB-OD1 3.47Å; H561-D563 PolarHBondContact O-N 3.44Å; D563-S566 WeakPolarHBondContact O-CB 3.46Å; D563-S566 PolarHBondContact O-N 3.31Å; D563-W567 PolarHBondContact O-N 3.03Å; D563-V668 HydrophobicContact CB-CG1 4.41Å; D563-F671 HydrophobicContact CB-CB 4.14Å; D563-F671 HydrophobicContact CB-CD1 3.9Å; D563-F671 HydrophobicContact CB-CD2 3.53Å; D563-F671 HydrophobicContact CB-CE1 4.2Å; D563-F671 HydrophobicContact CB-CE2 3.82Å; D563-F671 HydrophobicContact CB-CG 3.55Å; D563-F671 HydrophobicContact CB-CZ 4.14Å
564	L	98.5	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.9	-41.3	177.7	-179.3	55.2	0	0	0	112.3	Q516 F524 R525 W526 H561 S566 W567 M568	Q516-L564 HydrophobicContact CB-CD2 3.85Å; F524-L564 HydrophobicContact CB-CB 4.33Å; F524-L564 HydrophobicContact CB-CD2 3.68Å; F524-L564 HydrophobicContact CB-CG 3.64Å; F524-L564 HydrophobicContact CG-CG 4.46Å; R525-L564 VanDerWaalsContact C-CD2 3.48Å; W526-L564 HydrophobicContact CD2-CB 4.32Å; W526-L564 HydrophobicContact CD2-CD2 3.96Å; W526-L564 HydrophobicContact CE3-CD1 4.36Å; W526-L564 HydrophobicContact CE3-CD2 4.06Å; W526-L564 HydrophobicContact CG-CD2 4.38Å; W526-L564 HydrophobicContact CH2-CD1 3.62Å; W526-L564 HydrophobicContact CH2-CG 4.47Å; W526-L564 HydrophobicContact CZ2-CB 3.9Å; W526-L564 HydrophobicContact CZ2-CD1 3.82Å; W526-L564 HydrophobicContact CZ2-CG 4.28Å; W526-L564 HydrophobicContact CZ3-CD1 3.91Å; W526-L564 HydrophobicContact CZ3-CD2 4.41Å; H561-L564 HydrophobicContact CB-CB 4.34Å; H561-L564 PolarHBondContact O-N 3.12Å; L564-S566 PolarHBondContact O-N 3.25Å; L564-W567 PolarHBondContact O-N 3.46Å; L564-M568 HydrophobicContact CD1-CG 4.15Å; L564-M568 HydrophobicContact CD1-SD 4.41Å; L564-M568 WeakPolarHBondContact O-CG 3.48Å; L564-M568 PolarHBondContact O-N 2.92Å
565	F	98.5	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-46.7	171.3	-180	-77.7	0	0	0	110.9	G522 F524 H561 V562 W567 M568 L569 L598 L603 L604 L607	G522-F565 VanDerWaalsContact O-CD2 3.29Å; G522-F565 WeakPolarHBondContact O-CD2 3.28Å; G522-F565 VanDerWaalsContact O-CE2 3.29Å; G522-F565 WeakPolarHBondContact O-CE2 3.37Å; F524-F565 HydrophobicContact CD2-CB 4.36Å; F524-F565 HydrophobicContact CD2-CD2 4.12Å; F524-F565 HydrophobicContact CE2-CD2 4.36Å; H561-F565 PolarHBondContact O-N 3.49Å; V562-F565 PolarHBondContact O-N 3.44Å; F565-W567 PolarHBondContact O-N 2.92Å; F565-M568 PolarHBondContact O-N 3.02Å; F565-L569 HydrophobicContact CE1-CD2 4.37Å; F565-L569 PolarHBondContact O-N 3.42Å; F565-L598 HydrophobicContact CE2-CD2 4.09Å; F565-L598 HydrophobicContact CZ-CB 4.28Å; F565-L598 HydrophobicContact CZ-CD2 4.45Å; F565-L598 WeakPolarHBondContact CZ-O 3.16Å; F565-L603 HydrophobicContact CE2-CD2 4.18Å; F565-L603 HydrophobicContact CE2-CG 4.36Å; F565-L604 HydrophobicContact CD1-CB 4.48Å; F565-L604 HydrophobicContact CD1-CD1 3.75Å; F565-L604 HydrophobicContact CE1-CB 3.73Å; F565-L604 HydrophobicContact CE1-CD1 3.87Å; F565-L604 HydrophobicContact CE1-CG 4.26Å; F565-L604 HydrophobicContact CZ-CB 4.1Å; F565-L607 HydrophobicContact CD2-CD1 4.32Å; F565-L607 HydrophobicContact CE2-CD1 4.14Å
566	S	98.6	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-43.6	-179.2	-56.3	0	0	0	0	111.5	V562 D563 L564 M568 L569 A570 L675 L677	V562-S566 WeakPolarHBondContact O-CB 3.45Å; V562-S566 PolarHBondContact O-N 3.44Å; V562-S566 PolarHBondContact O-OG 2.93Å; D563-S566 WeakPolarHBondContact O-CB 3.46Å; D563-S566 PolarHBondContact O-N 3.31Å; L564-S566 PolarHBondContact O-N 3.25Å; S566-M568 PolarHBondContact O-N 3.41Å; S566-L569 PolarHBondContact O-N 3.03Å; S566-A570 WeakPolarHBondContact O-CB 3.13Å; S566-A570 PolarHBondContact O-N 3.47Å; S566-L675 VanDerWaalsContact C-CD1 3.45Å; S566-L675 WeakPolarHBondContact O-CD1 3.49Å; S566-L677 VanDerWaalsContact CA-CD1 3.49Å
567	W	98.4	Very high	97.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-58.8	-45.4	174.1	-80.4	120.4	0	0	0	112.3	P473 P474 V475 D563 L564 F565 A570 S571 F671 L675 M737	P473-W567 HydrophobicContact CB-CD2 4.39Å; P473-W567 HydrophobicContact CB-CZ2 4.06Å; P474-W567 HydrophobicContact CG-CB 4.22Å; P474-W567 HydrophobicContact CG-CE3 4.39Å; V475-W567 HydrophobicContact CB-CH2 4.35Å; V475-W567 HydrophobicContact CG1-CH2 4.44Å; V475-W567 HydrophobicContact CG2-CH2 3.9Å; V475-W567 HydrophobicContact CG2-CZ2 4.18Å; D563-W567 PolarHBondContact O-N 3.03Å; L564-W567 PolarHBondContact O-N 3.46Å; F565-W567 PolarHBondContact O-N 2.92Å; W567-A570 PolarHBondContact O-N 3.06Å; W567-S571 VanDerWaalsContact O-CB 3.23Å; W567-S571 WeakPolarHBondContact O-CB 3.41Å; W567-S571 PolarHBondContact O-N 3.3Å; W567-S571 PolarHBondContact O-OG 3.17Å; W567-F671 AromaticContact CE2-CE1 3.6Å; W567-F671 HydrophobicContact CZ2-CD1 4.49Å; W567-F671 AromaticContact CZ2-CE1 3.73Å; W567-F671 HydrophobicContact CZ2-CE1 3.73Å; W567-F671 AromaticContact NE1-CD1 3.75Å; W567-F671 AromaticContact NE1-CE1 3.22Å; W567-L675 HydrophobicContact CD2-CD1 3.98Å; W567-L675 HydrophobicContact CE3-CD1 3.97Å; W567-L675 HydrophobicContact CE3-CD2 4.27Å; W567-L675 HydrophobicContact CG-CD1 4.34Å; W567-L675 HydrophobicContact CH2-CD2 4.27Å; W567-L675 HydrophobicContact CZ3-CD1 4.4Å; W567-L675 HydrophobicContact CZ3-CD2 3.93Å; W567-M737 HydrophobicContact CH2-CE 3.87Å; W567-M737 HydrophobicContact CZ2-CE 4.17Å
568	M	98.4	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-47.5	179.8	-70.2	-53.2	-57.6	0	0	111	Y509 L512 N513 F524 L564 F565 S566 A570 S571 T572	Y509-M568 HydrophobicContact CD2-CE 4.17Å; Y509-M568 HydrophobicContact CE1-CE 4.46Å; Y509-M568 HydrophobicContact CE2-CE 3.71Å; L512-M568 HydrophobicContact CB-CE 4.22Å; L512-M568 HydrophobicContact CB-SD 3.92Å; N513-M568 HydrophobicContact CB-CE 3.72Å; F524-M568 HydrophobicContact CD1-CG 3.87Å; F524-M568 HydrophobicContact CD2-CB 4.26Å; F524-M568 HydrophobicContact CD2-CG 4.06Å; F524-M568 HydrophobicContact CE1-CB 4.41Å; F524-M568 HydrophobicContact CE1-CE 4.3Å; F524-M568 HydrophobicContact CE1-CG 3.83Å; F524-M568 HydrophobicContact CE2-CB 3.88Å; F524-M568 HydrophobicContact CE2-CG 4.01Å; F524-M568 HydrophobicContact CG-CG 3.98Å; F524-M568 HydrophobicContact CZ-CB 3.97Å; F524-M568 HydrophobicContact CZ-CG 3.9Å; L564-M568 HydrophobicContact CD1-CG 4.15Å; L564-M568 HydrophobicContact CD1-SD 4.41Å; L564-M568 WeakPolarHBondContact O-CG 3.48Å; L564-M568 PolarHBondContact O-N 2.92Å; F565-M568 PolarHBondContact O-N 3.02Å; S566-M568 PolarHBondContact O-N 3.41Å; M568-A570 PolarHBondContact O-N 2.96Å; M568-S571 WeakPolarHBondContact O-CB 3.05Å; M568-S571 PolarHBondContact O-N 3.21Å; M568-T572 PolarHBondContact O-N 3.38Å; M568-T572 PolarHBondContact O-OG1 3.06Å
569	L	97.9	Very high	97.9	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.042	5%	0.05	C	C	.	.	H	α-helix	trans	-63.2	-43.8	178.2	179.8	53.7	0	0	0	112.5	F565 S566 S571 T572 N573 A595 L598 T599 L677	F565-L569 HydrophobicContact CE1-CD2 4.37Å; F565-L569 PolarHBondContact O-N 3.42Å; S566-L569 PolarHBondContact O-N 3.03Å; L569-S571 VanDerWaalsContact C-N 3.3Å; L569-S571 PolarHBondContact O-N 3.4Å; L569-T572 WeakPolarHBondContact O-CB 2.99Å; L569-T572 PolarHBondContact O-N 3.46Å; L569-N573 PolarHBondContact O-N 3.06Å; L569-N573 VanDerWaalsContact O-N 3.12Å; L569-N573 PolarHBondContact O-ND2 3.1Å; L569-A595 HydrophobicContact CD1-CB 4.47Å; L569-L598 HydrophobicContact CB-CD1 4.19Å; L569-L598 HydrophobicContact CD1-CB 4.13Å; L569-L598 HydrophobicContact CD1-CD1 4.37Å; L569-T599 HydrophobicContact CD1-CG2 4Å; L569-T599 HydrophobicContact CD2-CG2 3.95Å; L569-L677 HydrophobicContact CB-CD1 4.43Å; L569-L677 HydrophobicContact CB-CD2 4.45Å; L569-L677 HydrophobicContact CD2-CD1 4.18Å; L569-L677 HydrophobicContact CD2-CD2 3.95Å; L569-L677 HydrophobicContact CD2-CG 4.48Å; L569-L677 HydrophobicContact CG-CD2 3.96Å
570	A	97.5	Very high	97.9	Very high	16 Å²	16	15.4 Å²	15.4	13%	0.132	7%	0.071	C	C	.	.	H	α-helix	trans	-62.1	-39.4	175.6	0	0	0	0	0	111.8	S566 W567 M568 N573 S574 L675	S566-A570 WeakPolarHBondContact O-CB 3.13Å; S566-A570 PolarHBondContact O-N 3.47Å; W567-A570 PolarHBondContact O-N 3.06Å; M568-A570 PolarHBondContact O-N 2.96Å; A570-N573 PolarHBondContact O-N 2.85Å; A570-S574 PolarHBondContact O-N 2.91Å; A570-L675 HydrophobicContact CB-CB 4.16Å; A570-L675 HydrophobicContact CB-CD1 3.96Å; A570-L675 HydrophobicContact CB-CD2 4.07Å; A570-L675 HydrophobicContact CB-CG 4.29Å
571	S	98.2	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.6	-40.2	176.7	-57.1	0	0	0	0	111.8	P474 F477 W567 M568 L569 N573 S574 M575	P474-S571 WeakPolarHBondContact CG-OG 3.36Å; F477-S571 WeakPolarHBondContact CD2-OG 3.29Å; W567-S571 VanDerWaalsContact O-CB 3.23Å; W567-S571 WeakPolarHBondContact O-CB 3.41Å; W567-S571 PolarHBondContact O-N 3.3Å; W567-S571 PolarHBondContact O-OG 3.17Å; M568-S571 WeakPolarHBondContact O-CB 3.05Å; M568-S571 PolarHBondContact O-N 3.21Å; L569-S571 VanDerWaalsContact C-N 3.3Å; L569-S571 PolarHBondContact O-N 3.4Å; S571-N573 VanDerWaalsContact C-N 3.31Å; S571-N573 PolarHBondContact O-N 2.73Å; S571-S574 WeakPolarHBondContact O-CB 3.37Å; S571-S574 PolarHBondContact O-N 2.89Å; S571-M575 WeakPolarHBondContact O-CG 3.31Å; S571-M575 PolarHBondContact O-N 3.2Å
572	T	98.1	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-44.7	173.9	-44.3	0	0	0	0	111	Y509 M568 L569 S574 M575 I576 F591 A595	Y509-T572 PolarHBondContact OH-OG1 3.4Å; M568-T572 PolarHBondContact O-N 3.38Å; M568-T572 PolarHBondContact O-OG1 3.06Å; L569-T572 WeakPolarHBondContact O-CB 2.99Å; L569-T572 PolarHBondContact O-N 3.46Å; T572-S574 PolarHBondContact O-N 3.16Å; T572-M575 PolarHBondContact O-N 3.26Å; T572-I576 WeakPolarHBondContact O-CG1 3.43Å; T572-I576 PolarHBondContact O-N 2.7Å; T572-F591 HydrophobicContact CG2-CB 4.05Å; T572-F591 HydrophobicContact CG2-CD1 4.32Å; T572-F591 WeakPolarHBondContact CG2-O 3.39Å; T572-A595 HydrophobicContact CG2-CB 3.82Å
573	N	96.5	Very high	97.6	Very high	63 Å²	63	23.5 Å²	23.5	34%	0.337	12%	0.116	S	C	.	.	H	α-helix	trans	-63.9	-39.7	178.6	-70.8	-30.5	0	0	0	112.5	L569 A570 S571 I576 R577	L569-N573 PolarHBondContact O-N 3.06Å; L569-N573 VanDerWaalsContact O-N 3.12Å; L569-N573 PolarHBondContact O-ND2 3.1Å; A570-N573 PolarHBondContact O-N 2.85Å; S571-N573 VanDerWaalsContact C-N 3.31Å; S571-N573 PolarHBondContact O-N 2.73Å; N573-I576 PolarHBondContact O-N 3.01Å; N573-R577 PolarHBondContact O-N 3.02Å
574	S	97	Very high	97.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-45.4	172.7	-167.4	0	0	0	0	111.2	F477 A570 S571 T572 I576 R577 M578	F477-S574 WeakPolarHBondContact O-CB 3.32Å; F477-S574 PolarHBondContact O-OG 2.8Å; A570-S574 PolarHBondContact O-N 2.91Å; S571-S574 WeakPolarHBondContact O-CB 3.37Å; S571-S574 PolarHBondContact O-N 2.89Å; T572-S574 PolarHBondContact O-N 3.16Å; S574-I576 VanDerWaalsContact C-N 3.35Å; S574-I576 PolarHBondContact O-N 3.15Å; S574-R577 PolarHBondContact O-N 3.15Å; S574-M578 PolarHBondContact O-N 3.06Å
575	M	98.3	Very high	97.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-31.1	177.8	-73.9	-56.9	-64.2	0	0	114.1	F477 F502 L505 K506 Y509 S571 T572 M578 S579 F591	F477-M575 HydrophobicContact CD1-CG 4.34Å; F477-M575 HydrophobicContact CD1-SD 4.29Å; F477-M575 HydrophobicContact CE1-CG 3.81Å; F477-M575 HydrophobicContact CE1-SD 3.51Å; F477-M575 VanDerWaalsContact CE1-SD 3.51Å; F477-M575 HydrophobicContact CZ-CG 4.43Å; F477-M575 HydrophobicContact CZ-SD 4.31Å; F502-M575 HydrophobicContact CD2-CE 3.86Å; F502-M575 HydrophobicContact CE2-CE 3.57Å; L505-M575 HydrophobicContact CB-CE 4.31Å; L505-M575 HydrophobicContact CB-SD 3.91Å; K506-M575 HydrophobicContact CB-CE 3.98Å; Y509-M575 HydrophobicContact CD2-CG 4.43Å; S571-M575 WeakPolarHBondContact O-CG 3.31Å; S571-M575 PolarHBondContact O-N 3.2Å; T572-M575 PolarHBondContact O-N 3.26Å; M575-M578 PolarHBondContact O-N 2.96Å; M575-S579 WeakPolarHBondContact O-CB 3.43Å; M575-S579 PolarHBondContact O-N 3.42Å; M575-S579 PolarHBondContact O-OG 3.14Å; M575-F591 HydrophobicContact CB-CB 4.46Å; M575-F591 HydrophobicContact CB-CD1 3.85Å; M575-F591 HydrophobicContact CB-CD2 3.71Å; M575-F591 HydrophobicContact CB-CE1 3.93Å; M575-F591 HydrophobicContact CB-CE2 3.8Å; M575-F591 HydrophobicContact CB-CG 3.75Å; M575-F591 HydrophobicContact CB-CZ 3.91Å; M575-F591 HydrophobicContact CE-CD2 4.43Å; M575-F591 HydrophobicContact CE-CE1 4.46Å; M575-F591 HydrophobicContact CE-CE2 3.48Å; M575-F591 VanDerWaalsContact CE-CE2 3.48Å; M575-F591 HydrophobicContact CE-CZ 3.5Å; M575-F591 VanDerWaalsContact CE-CZ 3.5Å; M575-F591 HydrophobicContact CG-CD1 4.48Å; M575-F591 HydrophobicContact CG-CE1 4.11Å; M575-F591 HydrophobicContact CG-CE2 4.34Å; M575-F591 HydrophobicContact CG-CZ 4.04Å
576	I	98.2	Very high	97.5	Very high	15 Å²	15	35 Å²	35	8%	0.077	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-47.5	171.8	-68.9	166.9	0	0	0	110.1	T572 N573 S574 S579 K580 E588 F591 R592 A595	T572-I576 WeakPolarHBondContact O-CG1 3.43Å; T572-I576 PolarHBondContact O-N 2.7Å; N573-I576 PolarHBondContact O-N 3.01Å; S574-I576 VanDerWaalsContact C-N 3.35Å; S574-I576 PolarHBondContact O-N 3.15Å; I576-S579 PolarHBondContact O-N 2.99Å; I576-K580 PolarHBondContact O-N 3.43Å; I576-E588 HydrophobicContact CG2-CG 4.32Å; I576-F591 HydrophobicContact CG1-CB 3.61Å; I576-R592 HydrophobicContact CD1-CG 3.88Å; I576-R592 HydrophobicContact CG1-CG 4.09Å; I576-R592 HydrophobicContact CG2-CG 4.27Å; I576-A595 HydrophobicContact CD1-CB 3.97Å
577	R	96.6	Very high	97.5	Very high	95 Å²	95	35 Å²	35	36%	0.358	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-42	177.6	-68.8	-175.3	179.5	155.3	9	111.8	N481 L484 N573 S574 S579 K580 L581	N481-R577 PolarHBondContact ND2-NH1 3.25Å; N481-R577 PolarHBondContact O-NH1 3.43Å; N481-R577 PolarHBondContact OD1-NH1 3.29Å; L484-R577 HydrophobicContact CB-CB 4.36Å; L484-R577 HydrophobicContact CD1-CB 4.02Å; N573-R577 PolarHBondContact O-N 3.02Å; S574-R577 PolarHBondContact O-N 3.15Å; R577-S579 VanDerWaalsContact C-N 3.31Å; R577-S579 PolarHBondContact O-N 3.1Å; R577-K580 WeakPolarHBondContact O-CB 3.34Å; R577-K580 PolarHBondContact O-N 2.82Å; R577-L581 PolarHBondContact O-N 3.27Å
578	M	97.3	Very high	97.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-42.3	177.2	-166.9	66.5	174	0	0	111.8	L484 L498 F502 L505 S574 M575 K580 L581 V582	L484-M578 HydrophobicContact CD1-CB 4.07Å; L484-M578 HydrophobicContact CD1-SD 4.01Å; L484-M578 HydrophobicContact CD2-SD 3.87Å; L498-M578 VanDerWaalsContact C-CE 3.41Å; L498-M578 HydrophobicContact CB-CE 3.67Å; L498-M578 HydrophobicContact CB-SD 4.42Å; L498-M578 HydrophobicContact CD2-CE 3.85Å; L498-M578 HydrophobicContact CD2-SD 4.13Å; L498-M578 HydrophobicContact CG-CE 4.39Å; L498-M578 WeakPolarHBondContact O-CE 3.31Å; F502-M578 HydrophobicContact CB-CE 3.95Å; F502-M578 HydrophobicContact CB-CG 4.42Å; F502-M578 HydrophobicContact CD2-CB 4.19Å; F502-M578 HydrophobicContact CD2-CG 3.44Å; F502-M578 VanDerWaalsContact CD2-CG 3.44Å; F502-M578 HydrophobicContact CE2-CB 4.36Å; F502-M578 HydrophobicContact CE2-CG 4.07Å; F502-M578 HydrophobicContact CG-CG 4.34Å; L505-M578 HydrophobicContact CD1-CE 3.97Å; S574-M578 PolarHBondContact O-N 3.06Å; M575-M578 PolarHBondContact O-N 2.96Å; M578-K580 VanDerWaalsContact C-N 3.29Å; M578-K580 PolarHBondContact O-N 2.81Å; M578-L581 PolarHBondContact O-N 3.23Å; M578-L581 HydrophobicContact SD-CD2 4.42Å; M578-V582 WeakPolarHBondContact O-CG2 3.29Å; M578-V582 PolarHBondContact O-N 3.18Å; M578-V582 VanDerWaalsContact O-N 3.14Å
579	S	98.3	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-37.2	178.2	-56.9	0	0	0	0	112	M575 I576 R577 V582 N583 D584 S587	M575-S579 WeakPolarHBondContact O-CB 3.43Å; M575-S579 PolarHBondContact O-N 3.42Å; M575-S579 PolarHBondContact O-OG 3.14Å; I576-S579 PolarHBondContact O-N 2.99Å; R577-S579 VanDerWaalsContact C-N 3.31Å; R577-S579 PolarHBondContact O-N 3.1Å; S579-V582 WeakPolarHBondContact O-CG2 3.36Å; S579-N583 PolarHBondContact O-N 3.06Å; S579-N583 VanDerWaalsContact O-N 3.15Å; S579-D584 PolarHBondContact O-N 3.09Å; S579-S587 WeakPolarHBondContact OG-CB 3.2Å
580	K	96.3	Very high	97.5	Very high	104 Å²	104	44.4 Å²	44.4	45%	0.452	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-49.3	173.2	-71.7	177.2	170	-157.5	0	112.3	I576 R577 M578 V582 N583 E588	I576-K580 PolarHBondContact O-N 3.43Å; R577-K580 WeakPolarHBondContact O-CB 3.34Å; R577-K580 PolarHBondContact O-N 2.82Å; M578-K580 VanDerWaalsContact C-N 3.29Å; M578-K580 PolarHBondContact O-N 2.81Å; K580-V582 PolarHBondContact O-N 3.44Å; K580-N583 PolarHBondContact O-N 2.97Å; K580-E588 WeakPolarHBondContact CE-OE1 3.46Å; K580-E588 HydrophobicContact CG-CG 4.42Å; K580-E588 WeakPolarHBondContact CG-OE2 3.35Å; K580-E588 IonicContact NZ-OE1 3.56Å
581	L	95.1	Very high	97.6	Very high	26 Å²	26	43.7 Å²	43.7	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-41.6	-179.4	179.6	71.4	0	0	0	111.7	L484 E487 L498 R577 M578 N583	L484-L581 HydrophobicContact CD2-CB 4.37Å; L484-L581 HydrophobicContact CD2-CD2 3.49Å; L484-L581 VanDerWaalsContact CD2-CD2 3.49Å; L484-L581 HydrophobicContact CD2-CG 4.48Å; E487-L581 HydrophobicContact CG-CD1 3.72Å; E487-L581 WeakPolarHBondContact OE1-CD1 3.49Å; L498-L581 HydrophobicContact CB-CD2 3.93Å; L498-L581 HydrophobicContact CD1-CD2 3.56Å; L498-L581 HydrophobicContact CG-CD2 4.32Å; R577-L581 PolarHBondContact O-N 3.27Å; M578-L581 PolarHBondContact O-N 3.23Å; M578-L581 HydrophobicContact SD-CD2 4.42Å; L581-N583 VanDerWaalsContact C-N 3.33Å
582	V	96	Very high	97.6	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.145	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.5	-178.7	-54.5	0	0	0	0	113.9	K499 F502 M578 S579 K580 D584	K499-V582 HydrophobicContact CB-CG1 4.33Å; K499-V582 HydrophobicContact CG-CG1 4.46Å; F502-V582 HydrophobicContact CB-CG1 4.06Å; F502-V582 HydrophobicContact CD1-CG2 3.68Å; F502-V582 HydrophobicContact CD2-CG2 4.21Å; F502-V582 HydrophobicContact CE1-CG2 3.66Å; F502-V582 HydrophobicContact CE2-CG2 4.17Å; F502-V582 HydrophobicContact CG-CG1 4.22Å; F502-V582 HydrophobicContact CG-CG2 3.92Å; F502-V582 HydrophobicContact CZ-CG2 3.88Å; M578-V582 WeakPolarHBondContact O-CG2 3.29Å; M578-V582 PolarHBondContact O-N 3.18Å; M578-V582 VanDerWaalsContact O-N 3.14Å; S579-V582 WeakPolarHBondContact O-CG2 3.36Å; K580-V582 PolarHBondContact O-N 3.44Å; V582-D584 HydrophobicContact CG2-CB 3.9Å
583	N	96.9	Very high	97.6	Very high	137 Å²	137	54.3 Å²	54.3	73%	0.733	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	46	-175.4	-53.7	-74.7	0	0	0	113.5	S579 K580 L581	S579-N583 PolarHBondContact O-N 3.06Å; S579-N583 VanDerWaalsContact O-N 3.15Å; K580-N583 PolarHBondContact O-N 2.97Å; L581-N583 VanDerWaalsContact C-N 3.33Å
584	D	97.9	Very high	97.6	Very high	46 Å²	46	54.4 Å²	54.4	25%	0.246	27%	0.265	C	S	.	.			trans	-106.4	85	172	-176.8	-10	0	0	0	110.6	F502 S579 V582 A586 S587 E588	F502-D584 HydrophobicContact CE1-CB 3.88Å; F502-D584 VanDerWaalsContact CE1-OD2 3.31Å; F502-D584 WeakPolarHBondContact CE1-OD2 3.43Å; F502-D584 HydrophobicContact CZ-CB 4.09Å; S579-D584 PolarHBondContact O-N 3.09Å; V582-D584 HydrophobicContact CG2-CB 3.9Å; D584-A586 PolarHBondContact O-N 3.37Å; D584-A586 PolarHBondContact OD1-N 3.02Å; D584-S587 VanDerWaalsContact CG-CB 3.45Å; D584-S587 PolarHBondContact O-N 3.29Å; D584-S587 PolarHBondContact OD1-N 2.48Å; D584-S587 PolarHBondContact OD1-OG 2.96Å; D584-S587 VanDerWaalsContact OD2-CB 3.3Å; D584-S587 WeakPolarHBondContact OD2-CB 3.43Å; D584-S587 PolarHBondContact OD2-OG 3.36Å; D584-E588 PolarHBondContact O-N 2.94Å
585	D	98.3	Very high	97.6	Very high	123 Å²	123	54.9 Å²	54.9	66%	0.658	27%	0.269	S	S	*	.	H	α-helix	trans	-58.5	-34.1	-179.6	-64.8	-29.8	0	0	0	112.8	E588 K589	D585-E588 PolarHBondContact O-N 3.05Å; D585-K589 WeakPolarHBondContact O-CB 3.38Å; D585-K589 PolarHBondContact O-N 3.3Å
586	A	98.3	Very high	97.5	Very high	73 Å²	73	56.5 Å²	56.5	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-68.6	-42.7	-179.3	0	0	0	0	0	111	D584 L590	D584-A586 PolarHBondContact O-N 3.37Å; D584-A586 PolarHBondContact OD1-N 3.02Å; A586-L590 WeakPolarHBondContact O-CB 3.44Å; A586-L590 PolarHBondContact O-N 3.29Å; A586-L590 VanDerWaalsContact O-N 3.1Å
587	S	98.3	Very high	97.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-41.6	172.8	-67.9	0	0	0	0	112	K506 S579 D584 K589 L590 F591	K506-S587 PolarHBondContact NZ-OG 3.4Å; S579-S587 WeakPolarHBondContact OG-CB 3.2Å; D584-S587 VanDerWaalsContact CG-CB 3.45Å; D584-S587 PolarHBondContact O-N 3.29Å; D584-S587 PolarHBondContact OD1-N 2.48Å; D584-S587 PolarHBondContact OD1-OG 2.96Å; D584-S587 VanDerWaalsContact OD2-CB 3.3Å; D584-S587 WeakPolarHBondContact OD2-CB 3.43Å; D584-S587 PolarHBondContact OD2-OG 3.36Å; S587-K589 VanDerWaalsContact C-N 3.33Å; S587-K589 PolarHBondContact O-N 2.83Å; S587-L590 PolarHBondContact O-N 3.41Å; S587-F591 WeakPolarHBondContact O-CD2 3.41Å; S587-F591 PolarHBondContact O-N 2.97Å
588	E	98.4	Very high	97.4	Very high	31 Å²	31	54.5 Å²	54.5	15%	0.145	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-50.4	176.5	-179.2	179.5	170.7	0	0	110.4	I576 K580 D584 D585 L590 F591 R592	I576-E588 HydrophobicContact CG2-CG 4.32Å; K580-E588 WeakPolarHBondContact CE-OE1 3.46Å; K580-E588 HydrophobicContact CG-CG 4.42Å; K580-E588 WeakPolarHBondContact CG-OE2 3.35Å; K580-E588 IonicContact NZ-OE1 3.56Å; D584-E588 PolarHBondContact O-N 2.94Å; D585-E588 PolarHBondContact O-N 3.05Å; E588-L590 PolarHBondContact O-N 3.37Å; E588-F591 PolarHBondContact O-N 3.07Å; E588-R592 HydrophobicContact CG-CG 4.43Å; E588-R592 WeakPolarHBondContact O-CB 3.13Å; E588-R592 VanDerWaalsContact O-CG 3.3Å; E588-R592 WeakPolarHBondContact O-CG 3.13Å; E588-R592 PolarHBondContact O-N 3.04Å; E588-R592 IonicContact OE1-CZ 3.92Å; E588-R592 IonicContact OE1-NE 3.52Å; E588-R592 PolarHBondContact OE1-NE 3.44Å; E588-R592 IonicContact OE1-NH2 2.74Å; E588-R592 PolarHBondContact OE1-NH2 3.24Å
589	K	98.5	Very high	97.4	Very high	138 Å²	138	58.2 Å²	58.2	60%	0.6	30%	0.304	S	S	*	.	H	α-helix	trans	-57.5	-48	177.7	-177.2	-179.6	174.7	-175.6	0	111.7	D585 S587 F591 R592 E593	D585-K589 WeakPolarHBondContact O-CB 3.38Å; D585-K589 PolarHBondContact O-N 3.3Å; S587-K589 VanDerWaalsContact C-N 3.33Å; S587-K589 PolarHBondContact O-N 2.83Å; K589-F591 PolarHBondContact O-N 3.49Å; K589-R592 PolarHBondContact O-N 2.99Å; K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 WeakPolarHBondContact O-CG 3.29Å; K589-E593 PolarHBondContact O-N 3.14Å
590	L	98.2	Very high	97.1	Very high	38 Å²	38	64.5 Å²	64.5	20%	0.199	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-48.4	179	177.5	66	0	0	0	112.1	A586 S587 E588 R592 E593 Y594	A586-L590 WeakPolarHBondContact O-CB 3.44Å; A586-L590 PolarHBondContact O-N 3.29Å; A586-L590 VanDerWaalsContact O-N 3.1Å; S587-L590 PolarHBondContact O-N 3.41Å; E588-L590 PolarHBondContact O-N 3.37Å; L590-R592 VanDerWaalsContact C-N 3.34Å; L590-E593 PolarHBondContact O-N 3.17Å; L590-Y594 HydrophobicContact CD1-CE1 4.24Å; L590-Y594 HydrophobicContact CD1-CE2 3.83Å; L590-Y594 HydrophobicContact CD2-CE2 4.27Å; L590-Y594 HydrophobicContact CG-CD2 4.31Å; L590-Y594 HydrophobicContact CG-CE2 3.81Å; L590-Y594 PolarHBondContact O-N 3.23Å; L590-Y594 VanDerWaalsContact O-N 3.1Å
591	F	98.4	Very high	96.8	Very high	1 Å²	1	66.1 Å²	66.1	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-30.9	-179.4	-67.9	-63.1	0	0	0	112.2	K506 Y509 T572 M575 I576 S587 E588 K589 Y594 A595	K506-F591 HydrophobicContact CG-CZ 4.14Å; Y509-F591 HydrophobicContact CD1-CD1 4.41Å; Y509-F591 AromaticContact CD1-CE1 3.59Å; Y509-F591 HydrophobicContact CD1-CE1 3.59Å; Y509-F591 HydrophobicContact CD1-CZ 4.5Å; Y509-F591 HydrophobicContact CE1-CD1 4.19Å; Y509-F591 AromaticContact CE1-CE1 3.79Å; Y509-F591 HydrophobicContact CE1-CE1 3.79Å; Y509-F591 HydrophobicContact CG-CE1 4.02Å; T572-F591 HydrophobicContact CG2-CB 4.05Å; T572-F591 HydrophobicContact CG2-CD1 4.32Å; T572-F591 WeakPolarHBondContact CG2-O 3.39Å; M575-F591 HydrophobicContact CB-CB 4.46Å; M575-F591 HydrophobicContact CB-CD1 3.85Å; M575-F591 HydrophobicContact CB-CD2 3.71Å; M575-F591 HydrophobicContact CB-CE1 3.93Å; M575-F591 HydrophobicContact CB-CE2 3.8Å; M575-F591 HydrophobicContact CB-CG 3.75Å; M575-F591 HydrophobicContact CB-CZ 3.91Å; M575-F591 HydrophobicContact CE-CD2 4.43Å; M575-F591 HydrophobicContact CE-CE1 4.46Å; M575-F591 HydrophobicContact CE-CE2 3.48Å; M575-F591 VanDerWaalsContact CE-CE2 3.48Å; M575-F591 HydrophobicContact CE-CZ 3.5Å; M575-F591 VanDerWaalsContact CE-CZ 3.5Å; M575-F591 HydrophobicContact CG-CD1 4.48Å; M575-F591 HydrophobicContact CG-CE1 4.11Å; M575-F591 HydrophobicContact CG-CE2 4.34Å; M575-F591 HydrophobicContact CG-CZ 4.04Å; I576-F591 HydrophobicContact CG1-CB 3.61Å; S587-F591 WeakPolarHBondContact O-CD2 3.41Å; S587-F591 PolarHBondContact O-N 2.97Å; E588-F591 PolarHBondContact O-N 3.07Å; K589-F591 PolarHBondContact O-N 3.49Å; F591-Y594 HydrophobicContact CD1-CD2 4.16Å; F591-Y594 PolarHBondContact O-N 2.88Å; F591-A595 WeakPolarHBondContact O-CB 3.43Å; F591-A595 PolarHBondContact O-N 3.38Å
592	R	98.4	Very high	96.7	Very high	113 Å²	113	69 Å²	69	43%	0.426	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-40.4	170.8	-74.9	-179.1	180	-69.6	1.3	112.7	I576 E588 K589 L590 Y594 A595 G596	I576-R592 HydrophobicContact CD1-CG 3.88Å; I576-R592 HydrophobicContact CG1-CG 4.09Å; I576-R592 HydrophobicContact CG2-CG 4.27Å; E588-R592 HydrophobicContact CG-CG 4.43Å; E588-R592 WeakPolarHBondContact O-CB 3.13Å; E588-R592 VanDerWaalsContact O-CG 3.3Å; E588-R592 WeakPolarHBondContact O-CG 3.13Å; E588-R592 PolarHBondContact O-N 3.04Å; E588-R592 IonicContact OE1-CZ 3.92Å; E588-R592 IonicContact OE1-NE 3.52Å; E588-R592 PolarHBondContact OE1-NE 3.44Å; E588-R592 IonicContact OE1-NH2 2.74Å; E588-R592 PolarHBondContact OE1-NH2 3.24Å; K589-R592 PolarHBondContact O-N 2.99Å; L590-R592 VanDerWaalsContact C-N 3.34Å; R592-Y594 VanDerWaalsContact C-N 3.34Å; R592-A595 PolarHBondContact O-N 3.36Å; R592-G596 PolarHBondContact O-N 3.09Å
593	E	97.7	Very high	96.7	Very high	110 Å²	110	69.1 Å²	69.1	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-41.3	174.7	-71.8	172.7	-173.2	0	0	111.3	K589 L590 G596 M597	K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 WeakPolarHBondContact O-CG 3.29Å; K589-E593 PolarHBondContact O-N 3.14Å; L590-E593 PolarHBondContact O-N 3.17Å; E593-G596 PolarHBondContact O-N 3.46Å; E593-M597 WeakPolarHBondContact O-CB 3.32Å; E593-M597 PolarHBondContact O-N 2.87Å
594	Y	97	Very high	96.7	Very high	65 Å²	65	63.1 Å²	63.1	26%	0.255	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-44.5	174.3	-68.4	-25.9	0	0	0	113.3	Y509 L590 F591 R592 G596 M597 L598	Y509-Y594 HydrophobicContact CE1-CD2 4.06Å; Y509-Y594 HydrophobicContact CE1-CE2 4.36Å; L590-Y594 HydrophobicContact CD1-CE1 4.24Å; L590-Y594 HydrophobicContact CD1-CE2 3.83Å; L590-Y594 HydrophobicContact CD2-CE2 4.27Å; L590-Y594 HydrophobicContact CG-CD2 4.31Å; L590-Y594 HydrophobicContact CG-CE2 3.81Å; L590-Y594 PolarHBondContact O-N 3.23Å; L590-Y594 VanDerWaalsContact O-N 3.1Å; F591-Y594 HydrophobicContact CD1-CD2 4.16Å; F591-Y594 PolarHBondContact O-N 2.88Å; R592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-G596 VanDerWaalsContact C-N 3.27Å; Y594-G596 PolarHBondContact O-N 3.28Å; Y594-M597 HydrophobicContact CD1-CE 3.94Å; Y594-M597 HydrophobicContact CE1-CE 4.47Å; Y594-M597 WeakPolarHBondContact O-CB 3.48Å; Y594-M597 PolarHBondContact O-N 2.95Å; Y594-M597 VanDerWaalsContact O-N 3.16Å; Y594-L598 PolarHBondContact O-N 2.96Å
595	A	97.3	Very high	96.7	Very high	10 Å²	10	61.9 Å²	61.9	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-42.2	175.3	0	0	0	0	0	110.5	L569 T572 I576 F591 R592 M597 L598 T599	L569-A595 HydrophobicContact CD1-CB 4.47Å; T572-A595 HydrophobicContact CG2-CB 3.82Å; I576-A595 HydrophobicContact CD1-CB 3.97Å; F591-A595 WeakPolarHBondContact O-CB 3.43Å; F591-A595 PolarHBondContact O-N 3.38Å; R592-A595 PolarHBondContact O-N 3.36Å; A595-M597 PolarHBondContact O-N 2.91Å; A595-L598 PolarHBondContact O-N 3.35Å; A595-T599 WeakPolarHBondContact O-CB 3.46Å; A595-T599 WeakPolarHBondContact O-CG2 3.32Å; A595-T599 PolarHBondContact O-N 2.79Å; A595-T599 PolarHBondContact O-OG1 3.43Å
596	G	96.9	Very high	96.6	Very high	36 Å²	36	62.2 Å²	62.2	37%	0.371	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-43.4	173.4	0	0	0	0	0	112.3	R592 E593 Y594 T599 K600	R592-G596 PolarHBondContact O-N 3.09Å; E593-G596 PolarHBondContact O-N 3.46Å; Y594-G596 VanDerWaalsContact C-N 3.27Å; Y594-G596 PolarHBondContact O-N 3.28Å; G596-T599 PolarHBondContact O-N 2.77Å; G596-T599 PolarHBondContact O-OG1 2.85Å; G596-K600 WeakPolarHBondContact O-CA 3.12Å; G596-K600 VanDerWaalsContact O-CB 3.29Å; G596-K600 WeakPolarHBondContact O-CB 3.04Å; G596-K600 PolarHBondContact O-N 2.9Å
597	M	95.9	Very high	96.6	Very high	63 Å²	63	59.5 Å²	59.5	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-46.7	176.5	-175.5	-125.1	-62.1	0	0	112.3	L521 E593 Y594 A595 T599 K600	L521-M597 HydrophobicContact CD1-CE 4.38Å; L521-M597 HydrophobicContact CD1-SD 4.17Å; L521-M597 HydrophobicContact CG-SD 4.15Å; E593-M597 WeakPolarHBondContact O-CB 3.32Å; E593-M597 PolarHBondContact O-N 2.87Å; Y594-M597 HydrophobicContact CD1-CE 3.94Å; Y594-M597 HydrophobicContact CE1-CE 4.47Å; Y594-M597 WeakPolarHBondContact O-CB 3.48Å; Y594-M597 PolarHBondContact O-N 2.95Å; Y594-M597 VanDerWaalsContact O-N 3.16Å; A595-M597 PolarHBondContact O-N 2.91Å; M597-T599 VanDerWaalsContact C-N 3.3Å; M597-T599 PolarHBondContact O-N 3.08Å; M597-K600 PolarHBondContact O-N 3.32Å
598	L	96.7	Very high	96.6	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-23.7	-179.3	-66.3	-179.7	0	0	0	113.3	F524 F565 L569 Y594 A595	F524-L598 HydrophobicContact CE2-CD1 4.47Å; F524-L598 HydrophobicContact CE2-CD2 3.78Å; F524-L598 HydrophobicContact CZ-CD2 4.2Å; F565-L598 HydrophobicContact CE2-CD2 4.09Å; F565-L598 HydrophobicContact CZ-CB 4.28Å; F565-L598 HydrophobicContact CZ-CD2 4.45Å; F565-L598 WeakPolarHBondContact CZ-O 3.16Å; L569-L598 HydrophobicContact CB-CD1 4.19Å; L569-L598 HydrophobicContact CD1-CB 4.13Å; L569-L598 HydrophobicContact CD1-CD1 4.37Å; Y594-L598 PolarHBondContact O-N 2.96Å; A595-L598 PolarHBondContact O-N 3.35Å
599	T	96	Very high	96.6	Very high	79 Å²	79	59.1 Å²	59.1	49%	0.485	29%	0.287	S	S	.	.	H	α-helix	trans	-96.9	-14.2	178.2	54.6	0	0	0	0	113.2	L569 A595 G596 M597 H601 N602	L569-T599 HydrophobicContact CD1-CG2 4Å; L569-T599 HydrophobicContact CD2-CG2 3.95Å; A595-T599 WeakPolarHBondContact O-CB 3.46Å; A595-T599 WeakPolarHBondContact O-CG2 3.32Å; A595-T599 PolarHBondContact O-N 2.79Å; A595-T599 PolarHBondContact O-OG1 3.43Å; G596-T599 PolarHBondContact O-N 2.77Å; G596-T599 PolarHBondContact O-OG1 2.85Å; M597-T599 VanDerWaalsContact C-N 3.3Å; M597-T599 PolarHBondContact O-N 3.08Å; T599-H601 PolarHBondContact O-N 3.04Å; T599-N602 PolarHBondContact O-N 2.63Å
600	K	92.7	Very high	96.5	Very high	132 Å²	132	53 Å²	53	57%	0.574	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-56.9	136.5	-177.5	-163	179.8	179.8	-177.3	0	111.2	G596 M597 N602 L603	G596-K600 WeakPolarHBondContact O-CA 3.12Å; G596-K600 VanDerWaalsContact O-CB 3.29Å; G596-K600 WeakPolarHBondContact O-CB 3.04Å; G596-K600 PolarHBondContact O-N 2.9Å; M597-K600 PolarHBondContact O-N 3.32Å; K600-N602 PolarHBondContact O-N 3.42Å; K600-L603 WeakPolarHBondContact O-CB 3.22Å; K600-L603 PolarHBondContact O-N 3.41Å; K600-L603 VanDerWaalsContact O-N 3.1Å
601	H	88.8	Confident	96.5	Very high	138 Å²	138	56.4 Å²	56.4	64%	0.639	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	52.3	22.2	179.4	-56.5	-57	0	0	0	114.6	T599 Q606	T599-H601 PolarHBondContact O-N 3.04Å; H601-Q606 PolarHBondContact O-NE2 2.61Å
602	N	93.4	Very high	96.4	Very high	86 Å²	86	66.7 Å²	66.7	46%	0.46	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	59.7	45.1	-176.8	-159.8	10.5	0	0	0	112.4	T599 K600 L604 D605 Q606	T599-N602 PolarHBondContact O-N 2.63Å; K600-N602 PolarHBondContact O-N 3.42Å; N602-L604 PolarHBondContact O-N 3.49Å; N602-D605 VanDerWaalsContact ND2-CG 3.27Å; N602-D605 PolarHBondContact ND2-OD2 3.19Å; N602-D605 WeakPolarHBondContact O-CB 3.11Å; N602-D605 PolarHBondContact O-N 3.15Å; N602-D605 PolarHBondContact OD1-OD2 3.18Å; N602-Q606 PolarHBondContact O-N 2.68Å; N602-Q606 VanDerWaalsContact O-N 3.1Å
603	L	96.8	Very high	96.4	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-52	-38.4	-175.6	-176.8	63.8	0	0	0	113.4	F565 K600 D605 Q606 L607	F565-L603 HydrophobicContact CE2-CD2 4.18Å; F565-L603 HydrophobicContact CE2-CG 4.36Å; K600-L603 WeakPolarHBondContact O-CB 3.22Å; K600-L603 PolarHBondContact O-N 3.41Å; K600-L603 VanDerWaalsContact O-N 3.1Å; L603-D605 VanDerWaalsContact C-N 3.31Å; L603-D605 PolarHBondContact O-N 3.1Å; L603-Q606 PolarHBondContact O-N 3.37Å; L603-L607 HydrophobicContact CD1-CD1 3.84Å; L603-L607 HydrophobicContact CD1-CD2 4.36Å; L603-L607 HydrophobicContact CD1-CG 3.86Å; L603-L607 HydrophobicContact CD2-CD1 4.32Å; L603-L607 HydrophobicContact CG-CD1 3.72Å; L603-L607 HydrophobicContact CG-CG 4.15Å; L603-L607 WeakPolarHBondContact O-CB 3.01Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.43Å; L603-L607 PolarHBondContact O-N 2.9Å
604	L	97.5	Very high	96.4	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-52.9	-48.6	173.8	173.2	59.2	0	0	0	111.7	V562 F565 N602 H608 Y616 P672 L677	V562-L604 HydrophobicContact CG2-CD1 4.08Å; F565-L604 HydrophobicContact CD1-CB 4.48Å; F565-L604 HydrophobicContact CD1-CD1 3.75Å; F565-L604 HydrophobicContact CE1-CB 3.73Å; F565-L604 HydrophobicContact CE1-CD1 3.87Å; F565-L604 HydrophobicContact CE1-CG 4.26Å; F565-L604 HydrophobicContact CZ-CB 4.1Å; N602-L604 PolarHBondContact O-N 3.49Å; L604-H608 HydrophobicContact CD1-CB 4.34Å; L604-H608 WeakPolarHBondContact O-CB 3.41Å; L604-H608 PolarHBondContact O-N 3.25Å; L604-Y616 HydrophobicContact CD1-CD1 4.31Å; L604-Y616 HydrophobicContact CD1-CE1 4.27Å; L604-Y616 HydrophobicContact CD2-CE1 4.26Å; L604-Y616 HydrophobicContact CG-CD1 4.37Å; L604-Y616 HydrophobicContact CG-CE1 3.84Å; L604-P672 HydrophobicContact CD1-CG 4.16Å; L604-P672 HydrophobicContact CD2-CB 4.03Å; L604-P672 HydrophobicContact CD2-CG 4.18Å; L604-L677 HydrophobicContact CD2-CB 4.44Å
605	D	97.4	Very high	96.5	Very high	20 Å²	20	60 Å²	60	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-42.8	179.1	-73.9	-1.9	0	0	0	111.2	N602 L603 L607 H608 W609 Y616 K684	N602-D605 VanDerWaalsContact ND2-CG 3.27Å; N602-D605 PolarHBondContact ND2-OD2 3.19Å; N602-D605 WeakPolarHBondContact O-CB 3.11Å; N602-D605 PolarHBondContact O-N 3.15Å; N602-D605 PolarHBondContact OD1-OD2 3.18Å; L603-D605 VanDerWaalsContact C-N 3.31Å; L603-D605 PolarHBondContact O-N 3.1Å; D605-L607 PolarHBondContact O-N 2.9Å; D605-H608 PolarHBondContact O-N 3.35Å; D605-W609 HydrophobicContact CB-CB 4.05Å; D605-W609 WeakPolarHBondContact O-CB 3.44Å; D605-W609 PolarHBondContact O-N 3.33Å; D605-Y616 WeakPolarHBondContact OD1-CE1 3.36Å; D605-Y616 VanDerWaalsContact OD1-CZ 3.29Å; D605-Y616 PolarHBondContact OD1-OH 3.04Å; D605-K684 WeakPolarHBondContact OD2-CE 3.36Å; D605-K684 IonicContact OD2-NZ 2.81Å; D605-K684 PolarHBondContact OD2-NZ 3.3Å
606	Q	96.6	Very high	96.5	Very high	130 Å²	130	59.5 Å²	59.5	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-58	-39	178.9	-64.6	-174.6	2.5	0	0	112.6	H601 N602 L603	H601-Q606 PolarHBondContact O-NE2 2.61Å; N602-Q606 PolarHBondContact O-N 2.68Å; N602-Q606 VanDerWaalsContact O-N 3.1Å; L603-Q606 PolarHBondContact O-N 3.37Å
607	L	97.1	Very high	96.6	Very high	16 Å²	16	57.8 Å²	57.8	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-83	-43.6	-177.8	-67.5	176.7	0	0	0	112.1	T523 Y560 F565 L603 D605 L660	T523-L607 HydrophobicContact CG2-CD1 3.87Å; T523-L607 HydrophobicContact CG2-CD2 3.87Å; Y560-L607 HydrophobicContact CD2-CB 4.29Å; Y560-L607 HydrophobicContact CE2-CB 3.84Å; Y560-L607 HydrophobicContact CE2-CD2 4.03Å; Y560-L607 HydrophobicContact CE2-CG 4.47Å; Y560-L607 WeakPolarHBondContact CE2-O 3.39Å; F565-L607 HydrophobicContact CD2-CD1 4.32Å; F565-L607 HydrophobicContact CE2-CD1 4.14Å; L603-L607 HydrophobicContact CD1-CD1 3.84Å; L603-L607 HydrophobicContact CD1-CD2 4.36Å; L603-L607 HydrophobicContact CD1-CG 3.86Å; L603-L607 HydrophobicContact CD2-CD1 4.32Å; L603-L607 HydrophobicContact CG-CD1 3.72Å; L603-L607 HydrophobicContact CG-CG 4.15Å; L603-L607 WeakPolarHBondContact O-CB 3.01Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.43Å; L603-L607 PolarHBondContact O-N 2.9Å; D605-L607 PolarHBondContact O-N 2.9Å; L607-L660 VanDerWaalsContact O-CD2 3.25Å; L607-L660 WeakPolarHBondContact O-CD2 3.35Å
608	H	98	Very high	96.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-117.9	-16.2	-161.9	-66.7	-73	0	0	0	114.4	Y560 V562 L604 D605 Y616 C617	Y560-H608 AromaticContact CD2-CE1 3.45Å; Y560-H608 VanDerWaalsContact CD2-CE1 3.45Å; Y560-H608 WeakPolarHBondContact CD2-CE1 3.43Å; Y560-H608 AromaticContact CD2-NE2 3.84Å; V562-H608 VanDerWaalsContact CA-CE1 3.47Å; V562-H608 WeakPolarHBondContact CA-CE1 3.4Å; V562-H608 HydrophobicContact CB-CB 4.24Å; V562-H608 HydrophobicContact CG2-CB 3.93Å; V562-H608 PolarHBondContact N-CE1 3.17Å; L604-H608 HydrophobicContact CD1-CB 4.34Å; L604-H608 WeakPolarHBondContact O-CB 3.41Å; L604-H608 PolarHBondContact O-N 3.25Å; D605-H608 PolarHBondContact O-N 3.35Å; H608-Y616 HydrophobicContact CB-CD1 3.93Å; H608-Y616 CarbonylContact O-C 3.6Å; H608-Y616 VanDerWaalsContact O-CA 3.25Å; H608-Y616 WeakPolarHBondContact O-CA 3.39Å; H608-C617 WeakPolarHBondContact CB-O 3.29Å; H608-C617 PolarHBondContact ND1-O 2.86Å; H608-C617 PolarHBondContact O-N 3.33Å
609	W	98.2	Very high	96.8	Very high	22 Å²	22	57.4 Å²	57.4	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.2	-175.1	-177.6	-106.1	0	0	0	112.3	D605 D611 K614 Y616 L660 K684	D605-W609 HydrophobicContact CB-CB 4.05Å; D605-W609 WeakPolarHBondContact O-CB 3.44Å; D605-W609 PolarHBondContact O-N 3.33Å; W609-D611 PolarHBondContact NE1-OD1 2.94Å; W609-K614 HydrophobicContact CH2-CB 4.35Å; W609-K614 WeakPolarHBondContact CH2-O 3.39Å; W609-K614 HydrophobicContact CZ2-CB 4.25Å; W609-K614 HydrophobicContact CZ2-CD 4.12Å; W609-Y616 HydrophobicContact CB-CD1 4.29Å; W609-Y616 HydrophobicContact CB-CE1 4.09Å; W609-Y616 AromaticContact CE3-CD1 3.98Å; W609-Y616 HydrophobicContact CE3-CD1 3.98Å; W609-Y616 HydrophobicContact CE3-CD2 4.02Å; W609-Y616 AromaticContact CE3-CE1 3.82Å; W609-Y616 HydrophobicContact CE3-CE1 3.82Å; W609-Y616 AromaticContact CE3-CE2 3.84Å; W609-Y616 HydrophobicContact CE3-CE2 3.84Å; W609-Y616 HydrophobicContact CE3-CG 4.07Å; W609-Y616 AromaticContact CE3-CZ 3.74Å; W609-Y616 HydrophobicContact CZ3-CD2 4.12Å; W609-Y616 AromaticContact CZ3-CE2 3.92Å; W609-Y616 HydrophobicContact CZ3-CE2 3.92Å; W609-L660 WeakPolarHBondContact O-CD1 3.45Å; W609-K684 HydrophobicContact CD2-CD 3.78Å; W609-K684 HydrophobicContact CE3-CD 3.65Å; W609-K684 HydrophobicContact CE3-CG 4.37Å; W609-K684 HydrophobicContact CH2-CB 3.77Å; W609-K684 HydrophobicContact CH2-CD 3.81Å; W609-K684 HydrophobicContact CH2-CG 3.59Å; W609-K684 HydrophobicContact CZ2-CB 4.4Å; W609-K684 HydrophobicContact CZ2-CD 3.94Å; W609-K684 HydrophobicContact CZ2-CG 3.74Å; W609-K684 HydrophobicContact CZ3-CB 4Å; W609-K684 HydrophobicContact CZ3-CD 3.67Å; W609-K684 HydrophobicContact CZ3-CG 3.93Å
610	S	98.2	Very high	96.9	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.2	169.2	-178	0	0	0	0	110.4	R612 N613 K614 R615	S610-R612 PolarHBondContact O-N 2.93Å; S610-N613 PolarHBondContact O-N 2.87Å; S610-N613 PolarHBondContact OG-N 2.85Å; S610-N613 PolarHBondContact OG-OD1 3.48Å; S610-K614 VanDerWaalsContact O-CA 3.29Å; S610-K614 WeakPolarHBondContact O-CA 3.19Å; S610-K614 PolarHBondContact O-N 3.13Å; S610-R615 WeakPolarHBondContact CB-O 2.75Å; S610-R615 PolarHBondContact N-O 3.07Å; S610-R615 PolarHBondContact O-N 3.13Å
611	D	97.1	Very high	97.2	Very high	109 Å²	109	49.6 Å²	49.6	58%	0.583	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.1	174.9	-78.8	-57.3	0	0	0	113.6	W609 K614	W609-D611 PolarHBondContact NE1-OD1 2.94Å; D611-K614 VanDerWaalsContact O-CD 3.24Å; D611-K614 WeakPolarHBondContact O-CD 3.27Å; D611-K614 WeakPolarHBondContact O-CE 3.43Å; D611-K614 PolarHBondContact O-NZ 2.94Å
612	R	97.4	Very high	97.6	Very high	218 Å²	218	43.2 Å²	43.2	82%	0.823	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.7	178.1	-177.8	-178	177.4	-140.6	-0.4	112	S610	S610-R612 PolarHBondContact O-N 2.93Å
613	N	97.6	Very high	97.7	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-3.3	-175.1	-68.5	93.9	0	0	0	113.4	S610 R615 S662 Q691	S610-N613 PolarHBondContact O-N 2.87Å; S610-N613 PolarHBondContact OG-N 2.85Å; S610-N613 PolarHBondContact OG-OD1 3.48Å; N613-R615 VanDerWaalsContact C-N 3.33Å; N613-R615 HydrophobicContact CB-CG 3.91Å; N613-R615 PolarHBondContact O-N 3.02Å; N613-R615 PolarHBondContact O-NE 3.02Å; N613-R615 VanDerWaalsContact O-NE 3.15Å; N613-S662 WeakPolarHBondContact OD1-CB 3.42Å; N613-S662 PolarHBondContact OD1-OG 3.05Å; N613-Q691 PolarHBondContact O-NE2 3.06Å
614	K	97.9	Very high	97.5	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	48.1	-178.9	-56.9	-60.4	-176.9	-164.5	0	112.9	W609 S610 D611 H687	W609-K614 HydrophobicContact CH2-CB 4.35Å; W609-K614 WeakPolarHBondContact CH2-O 3.39Å; W609-K614 HydrophobicContact CZ2-CB 4.25Å; W609-K614 HydrophobicContact CZ2-CD 4.12Å; S610-K614 VanDerWaalsContact O-CA 3.29Å; S610-K614 WeakPolarHBondContact O-CA 3.19Å; S610-K614 PolarHBondContact O-N 3.13Å; D611-K614 VanDerWaalsContact O-CD 3.24Å; D611-K614 WeakPolarHBondContact O-CD 3.27Å; D611-K614 WeakPolarHBondContact O-CE 3.43Å; D611-K614 PolarHBondContact O-NZ 2.94Å; K614-H687 HydrophobicContact CB-CB 4.04Å
615	R	97.8	Very high	97.4	Very high	27 Å²	27	42.1 Å²	42.1	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	155.5	-177.6	66.6	-169.9	60.9	171.5	-4.9	111.8	S610 N613 F665	S610-R615 WeakPolarHBondContact CB-O 2.75Å; S610-R615 PolarHBondContact N-O 3.07Å; S610-R615 PolarHBondContact O-N 3.13Å; N613-R615 VanDerWaalsContact C-N 3.33Å; N613-R615 HydrophobicContact CB-CG 3.91Å; N613-R615 PolarHBondContact O-N 3.02Å; N613-R615 PolarHBondContact O-NE 3.02Å; N613-R615 VanDerWaalsContact O-NE 3.15Å; R615-F665 HydrophobicContact CB-CD2 4.25Å; R615-F665 HydrophobicContact CB-CE2 4.19Å; R615-F665 HydrophobicContact CG-CD2 4.49Å; R615-F665 VanDerWaalsContact NH1-CB 3.28Å
616	Y	98.6	Very high	97.2	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	146.5	167.4	-66.5	-74.2	0	0	0	111.2	L604 D605 H608 W609 N669 P672 L678 K684 I688	L604-Y616 HydrophobicContact CD1-CD1 4.31Å; L604-Y616 HydrophobicContact CD1-CE1 4.27Å; L604-Y616 HydrophobicContact CD2-CE1 4.26Å; L604-Y616 HydrophobicContact CG-CD1 4.37Å; L604-Y616 HydrophobicContact CG-CE1 3.84Å; D605-Y616 WeakPolarHBondContact OD1-CE1 3.36Å; D605-Y616 VanDerWaalsContact OD1-CZ 3.29Å; D605-Y616 PolarHBondContact OD1-OH 3.04Å; H608-Y616 HydrophobicContact CB-CD1 3.93Å; H608-Y616 CarbonylContact O-C 3.6Å; H608-Y616 VanDerWaalsContact O-CA 3.25Å; H608-Y616 WeakPolarHBondContact O-CA 3.39Å; W609-Y616 HydrophobicContact CB-CD1 4.29Å; W609-Y616 HydrophobicContact CB-CE1 4.09Å; W609-Y616 AromaticContact CE3-CD1 3.98Å; W609-Y616 HydrophobicContact CE3-CD1 3.98Å; W609-Y616 HydrophobicContact CE3-CD2 4.02Å; W609-Y616 AromaticContact CE3-CE1 3.82Å; W609-Y616 HydrophobicContact CE3-CE1 3.82Å; W609-Y616 AromaticContact CE3-CE2 3.84Å; W609-Y616 HydrophobicContact CE3-CE2 3.84Å; W609-Y616 HydrophobicContact CE3-CG 4.07Å; W609-Y616 AromaticContact CE3-CZ 3.74Å; W609-Y616 HydrophobicContact CZ3-CD2 4.12Å; W609-Y616 AromaticContact CZ3-CE2 3.92Å; W609-Y616 HydrophobicContact CZ3-CE2 3.92Å; Y616-N669 WeakPolarHBondContact O-CB 3.2Å; Y616-N669 PolarHBondContact O-ND2 2.82Å; Y616-P672 HydrophobicContact CD1-CG 4.29Å; Y616-P672 HydrophobicContact CD2-CB 3.92Å; Y616-P672 HydrophobicContact CD2-CG 3.73Å; Y616-P672 HydrophobicContact CE2-CB 3.86Å; Y616-P672 HydrophobicContact CE2-CG 4.12Å; Y616-P672 HydrophobicContact CG-CB 4.47Å; Y616-P672 HydrophobicContact CG-CG 3.83Å; Y616-L678 HydrophobicContact CE2-CD1 4.31Å; Y616-L678 HydrophobicContact CE2-CD2 3.77Å; Y616-L678 WeakPolarHBondContact OH-CD2 3.44Å; Y616-K684 HydrophobicContact CE2-CD 4.47Å; Y616-K684 WeakPolarHBondContact OH-CD 3.12Å; Y616-I688 HydrophobicContact CD2-CD1 4.4Å; Y616-I688 HydrophobicContact CE2-CD1 4.13Å
617	C	98.5	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.			trans	-142.5	150.7	-175.7	-49.7	0	0	0	0	110.4	H608 L660 S662	H608-C617 WeakPolarHBondContact CB-O 3.29Å; H608-C617 PolarHBondContact ND1-O 2.86Å; H608-C617 PolarHBondContact O-N 3.33Å; C617-L660 HydrophobicContact CB-CB 4.15Å; C617-L660 HydrophobicContact CB-CD2 4.21Å; C617-S662 VanDerWaalsContact SG-CA 3.57Å
618	D	98.5	Very high	97	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.032	19%	0.185	C	C	.	.			trans	-63	162.3	157.8	-75.6	-2.4	0	0	0	110.1	R551 H561 V562 L660 V661	R551-D618 WeakPolarHBondContact CD-OD2 3.23Å; R551-D618 WeakPolarHBondContact CG-OD2 3.41Å; R551-D618 IonicContact CZ-OD2 2.75Å; R551-D618 IonicContact NE-OD2 3.68Å; R551-D618 IonicContact NH1-OD1 2.63Å; R551-D618 IonicContact NH1-OD2 3.56Å; R551-D618 PolarHBondContact NH1-OD2 3.14Å; H561-D618 VanDerWaalsContact CA-OD1 3.25Å; H561-D618 WeakPolarHBondContact CA-OD1 3.29Å; H561-D618 IonicContact CD2-OD2 3.58Å; V562-D618 PolarHBondContact N-OD1 3.18Å; D618-L660 WeakPolarHBondContact O-CA 3.45Å; D618-V661 HydrophobicContact CB-CB 4.47Å; D618-V661 HydrophobicContact CB-CG2 4.3Å; D618-V661 PolarHBondContact O-N 2.84Å
619	Y	98.4	Very high	96.9	Very high	54 Å²	54	41.5 Å²	41.5	21%	0.212	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.4	170.7	-178.4	-86	0	0	0	110.3	D558 E559 Y560 L658 R659 L660	D558-Y619 WeakPolarHBondContact O-CD1 3.26Å; E559-Y619 VanDerWaalsContact CA-O 3.27Å; E559-Y619 WeakPolarHBondContact CA-O 3.41Å; Y560-Y619 AromaticContact CD1-CD1 3.8Å; Y560-Y619 HydrophobicContact CD1-CD1 3.8Å; Y560-Y619 HydrophobicContact CD1-CG 4.24Å; Y560-Y619 AromaticContact CE1-CD1 3.04Å; Y560-Y619 HydrophobicContact CE1-CD1 3.04Å; Y560-Y619 HydrophobicContact CE1-CD2 4.3Å; Y560-Y619 AromaticContact CE1-CE1 3.67Å; Y560-Y619 HydrophobicContact CE1-CE1 3.67Å; Y560-Y619 AromaticContact CE1-CG 3.42Å; Y560-Y619 HydrophobicContact CE1-CG 3.42Å; Y560-Y619 VanDerWaalsContact CE1-CG 3.42Å; Y560-Y619 HydrophobicContact CE2-CD1 4.28Å; Y560-Y619 HydrophobicContact CE2-CD2 4.42Å; Y560-Y619 AromaticContact CE2-CG 3.78Å; Y560-Y619 HydrophobicContact CE2-CG 3.78Å; Y560-Y619 AromaticContact CZ-CD1 3.34Å; Y560-Y619 AromaticContact CZ-CD2 3.72Å; Y560-Y619 AromaticContact CZ-CG 3.13Å; Y560-Y619 PolarHBondContact N-O 2.92Å; Y560-Y619 PolarHBondContact O-N 3.21Å; Y560-Y619 WeakPolarHBondContact OH-CB 3.41Å; Y560-Y619 WeakPolarHBondContact OH-CD1 3.45Å; Y560-Y619 WeakPolarHBondContact OH-CD2 3.42Å; Y560-Y619 WeakPolarHBondContact OH-CE2 3.44Å; Y619-L658 HydrophobicContact CE1-CB 4.26Å; Y619-L658 HydrophobicContact CE1-CD2 4.27Å; Y619-R659 WeakPolarHBondContact CA-O 3.31Å; Y619-R659 WeakPolarHBondContact CD2-O 3.49Å; Y619-L660 HydrophobicContact CD2-CD2 4.17Å; Y619-L660 HydrophobicContact CD2-CG 4.39Å
620	G	98.2	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-169.7	172.8	0	0	0	0	0	113.3	H622 L658 R659	G620-H622 PolarHBondContact O-N 3.07Å; G620-H622 VanDerWaalsContact O-N 3.08Å; G620-L658 WeakPolarHBondContact O-CA 3.19Å; G620-R659 PolarHBondContact N-O 2.87Å; G620-R659 VanDerWaalsContact N-O 3.07Å; G620-R659 PolarHBondContact O-N 3.46Å
621	L	98.1	Very high	96.2	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	95.9	-179.8	-176.5	62.3	0	0	0	109.7	S553 H554 T556 P656 L658	S553-L621 PolarHBondContact N-O 3.07Å; S553-L621 PolarHBondContact OG-O 3.01Å; H554-L621 HydrophobicContact CB-CB 4.15Å; H554-L621 HydrophobicContact CB-CD2 3.87Å; H554-L621 HydrophobicContact CB-CG 3.94Å; H554-L621 WeakPolarHBondContact CB-O 2.86Å; H554-L621 PolarHBondContact N-O 2.91Å; T556-L621 HydrophobicContact CG2-CB 3.97Å; T556-L621 HydrophobicContact CG2-CD2 3.78Å; L621-P656 HydrophobicContact CD1-CB 3.9Å; L621-P656 HydrophobicContact CD1-CG 4.14Å; L621-P656 HydrophobicContact CD2-CG 4.45Å; L621-P656 HydrophobicContact CG-CB 3.9Å; L621-P656 HydrophobicContact CG-CG 4.12Å; L621-L658 HydrophobicContact CB-CD2 3.99Å; L621-L658 HydrophobicContact CD1-CG 4.46Å
622	H	98	Very high	95.8	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144	-165.5	-174.3	81.5	0	0	0	114.4	R551 A552 S553 G620 G624 P656 K657 R659 V661 D663	R551-H622 PolarHBondContact O-ND1 3.08Å; A552-H622 HydrophobicContact CB-CB 4.19Å; S553-H622 PolarHBondContact N-ND1 3.23Å; S553-H622 VanDerWaalsContact N-ND1 3.16Å; S553-H622 WeakPolarHBondContact OG-CA 3.26Å; G620-H622 PolarHBondContact O-N 3.07Å; G620-H622 VanDerWaalsContact O-N 3.08Å; H622-G624 PolarHBondContact NE2-N 2.58Å; H622-P656 WeakPolarHBondContact O-CA 3.37Å; H622-K657 PolarHBondContact N-O 2.99Å; H622-K657 PolarHBondContact O-N 2.79Å; H622-K657 VanDerWaalsContact O-N 3.09Å; H622-R659 HydrophobicContact CB-CG 4.3Å; H622-R659 PolarHBondContact CD2-NH2 3.2Å; H622-V661 HydrophobicContact CB-CG2 3.93Å; H622-D663 IonicContact CD2-OD1 3.63Å; H622-D663 IonicContact NE2-OD1 2.69Å; H622-D663 PolarHBondContact NE2-OD1 3.3Å; H622-D663 IonicContact NE2-OD2 3.32Å; H622-D663 PolarHBondContact NE2-OD2 2.79Å
623	T	96.4	Very high	95.3	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.043	21%	0.207	C	C	.	.			trans	-144.6	129.3	164.5	-178.5	0	0	0	0	108.9	S553 L625 V626 V652 G654 P656	S553-T623 PolarHBondContact OG-N 3.44Å; S553-T623 PolarHBondContact OG-O 2.71Å; T623-L625 PolarHBondContact O-N 2.61Å; T623-L625 WeakPolarHBondContact OG1-CB 3.35Å; T623-L625 PolarHBondContact OG1-N 3.24Å; T623-V626 HydrophobicContact CG2-CG1 4.12Å; T623-V652 HydrophobicContact CG2-CG1 3.88Å; T623-G654 WeakPolarHBondContact CG2-O 3Å; T623-G654 PolarHBondContact OG1-O 3Å; T623-P656 HydrophobicContact CG2-CB 4.01Å
624	G	92.2	Very high	94.6	Very high	15 Å²	15	42.6 Å²	42.6	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	-77.4	6.9	171.2	0	0	0	0	0	113.4	H622 V626 R712	H622-G624 PolarHBondContact NE2-N 2.58Å; G624-V626 PolarHBondContact O-N 3.01Å; G624-R712 VanDerWaalsContact O-CD 3.31Å; G624-R712 WeakPolarHBondContact O-CD 3.43Å; G624-R712 PolarHBondContact O-NH1 3.47Å
625	L	94.6	Very high	93.9	Very high	79 Å²	79	40.9 Å²	40.9	41%	0.414	22%	0.223	S	C	.	.			trans	-100.4	63.6	-179.4	-63.3	169.9	0	0	0	110.2	T623 K653	T623-L625 PolarHBondContact O-N 2.61Å; T623-L625 WeakPolarHBondContact OG1-CB 3.35Å; T623-L625 PolarHBondContact OG1-N 3.24Å; L625-K653 HydrophobicContact CB-CB 4.22Å; L625-K653 PolarHBondContact O-N 2.94Å
626	V	94.4	Very high	93	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.8	174.5	-64.3	0	0	0	0	109.5	L537 T623 G624 V651 V652	L537-V626 HydrophobicContact CD1-CB 4.12Å; L537-V626 HydrophobicContact CD1-CG2 3.8Å; L537-V626 HydrophobicContact CG-CG2 4.43Å; T623-V626 HydrophobicContact CG2-CG1 4.12Å; G624-V626 PolarHBondContact O-N 3.01Å; V626-V651 WeakPolarHBondContact CA-O 3.38Å; V626-V652 HydrophobicContact CG1-CG2 4.33Å
627	A	94.3	Very high	91.9	Very high	25 Å²	25	49 Å²	49	21%	0.207	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.6	177	0	0	0	0	0	110.3	E629 R650 V651	A627-E629 HydrophobicContact CB-CG 4.39Å; A627-R650 CarbonylContact O-C 3.56Å; A627-R650 WeakPolarHBondContact O-CA 3.43Å; A627-V651 PolarHBondContact N-O 3.31Å; A627-V651 PolarHBondContact O-N 3.21Å
628	L	94.5	Very high	90.9	Very high	41 Å²	41	55.5 Å²	55.5	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.8	161	-67.4	174.9	0	0	0	107.2	L537 F648 R650	L537-L628 HydrophobicContact CB-CD1 4.23Å; L537-L628 HydrophobicContact CB-CD2 4.22Å; L537-L628 HydrophobicContact CB-CG 3.98Å; L537-L628 HydrophobicContact CD1-CG 4.23Å; L537-L628 HydrophobicContact CG-CG 4.5Å; L628-F648 HydrophobicContact CB-CD1 4.26Å; L628-R650 HydrophobicContact CD2-CB 4.3Å
629	E	95	Very high	90.1	Very high	66 Å²	66	62.2 Å²	62.2	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.7	176.7	-62.9	-169.8	165.1	0	0	109.8	A627 F631 F648 R649 V651 K653	A627-E629 HydrophobicContact CB-CG 4.39Å; E629-F631 HydrophobicContact CB-CE2 3.97Å; E629-F631 VanDerWaalsContact O-CD2 3.23Å; E629-F631 WeakPolarHBondContact O-CD2 3.33Å; E629-F631 WeakPolarHBondContact O-CE2 3.32Å; E629-F648 CarbonylContact O-C 3.57Å; E629-F648 VanDerWaalsContact O-CA 3.31Å; E629-F648 WeakPolarHBondContact O-CA 3.49Å; E629-R649 PolarHBondContact N-O 2.81Å; E629-R649 PolarHBondContact O-N 3.11Å; E629-V651 HydrophobicContact CB-CG2 3.99Å; E629-V651 HydrophobicContact CG-CB 4.25Å; E629-V651 HydrophobicContact CG-CG2 4Å; E629-V651 WeakPolarHBondContact OE2-CG2 3.45Å; E629-K653 WeakPolarHBondContact OE1-CE 3.36Å; E629-K653 IonicContact OE1-NZ 3.42Å; E629-K653 PolarHBondContact OE1-NZ 3.47Å
630	E	92.2	Very high	89.1	Confident	117 Å²	117	62.6 Å²	62.6	55%	0.547	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.8	-179.6	-171	-174.2	154.9	0	0	110.5	T646 F648	E630-T646 HydrophobicContact CG-CG2 4.21Å; E630-T646 WeakPolarHBondContact OE1-CG2 3.41Å; E630-F648 HydrophobicContact CB-CD1 4.39Å; E630-F648 HydrophobicContact CB-CE1 3.97Å; E630-F648 HydrophobicContact CB-CE2 4.34Å; E630-F648 HydrophobicContact CB-CZ 3.95Å; E630-F648 HydrophobicContact CG-CE2 4.13Å; E630-F648 HydrophobicContact CG-CZ 4.12Å
631	F	91.5	Very high	88.1	Confident	77 Å²	77	66.7 Å²	66.7	34%	0.338	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.6	175.8	-67.6	-97.3	0	0	0	109.6	E629 T646 E647 R649 V651	E629-F631 HydrophobicContact CB-CE2 3.97Å; E629-F631 VanDerWaalsContact O-CD2 3.23Å; E629-F631 WeakPolarHBondContact O-CD2 3.33Å; E629-F631 WeakPolarHBondContact O-CE2 3.32Å; F631-T646 WeakPolarHBondContact O-CA 3.48Å; F631-E647 PolarHBondContact N-O 2.53Å; F631-E647 PolarHBondContact O-N 2.76Å; F631-R649 HydrophobicContact CD2-CB 3.72Å; F631-R649 HydrophobicContact CD2-CG 3.92Å; F631-R649 HydrophobicContact CE2-CB 3.63Å; F631-R649 HydrophobicContact CE2-CG 4.32Å; F631-V651 HydrophobicContact CE2-CG2 3.92Å; F631-V651 HydrophobicContact CZ-CG2 3.7Å
632	S	88.3	Confident	86.9	Confident	81 Å²	81	72 Å²	72	57%	0.566	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.1	171.5	-56.3	0	0	0	0	110.8	E645	S632-E645 CarbonylContact C-O 3.55Å; S632-E645 WeakPolarHBondContact CA-O 3.32Å
633	I	85.8	Confident	86.1	Confident	48 Å²	48	79.7 Å²	79.7	25%	0.246	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134	175.5	47.9	166.7	0	0	0	110.8	V635 R644 E645 E647	I633-V635 HydrophobicContact CD1-CG2 4.39Å; I633-V635 HydrophobicContact CG1-CG2 4.48Å; I633-R644 WeakPolarHBondContact O-CA 3.3Å; I633-E645 HydrophobicContact CD1-CB 4.18Å; I633-E645 HydrophobicContact CG1-CB 3.99Å; I633-E645 VanDerWaalsContact CG1-O 3.25Å; I633-E645 WeakPolarHBondContact CG1-O 3.46Å; I633-E645 PolarHBondContact N-O 3.41Å; I633-E645 PolarHBondContact O-N 3.2Å; I633-E647 HydrophobicContact CD1-CB 4.21Å; I633-E647 HydrophobicContact CG1-CB 4.49Å
634	P	84	Confident	85.3	Confident	101 Å²	101	88.9 Å²	88.9	66%	0.656	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.4	172.9	29.4	-31	0	0	0	110.3
635	V	82.9	Confident	85.1	Confident	42 Å²	42	92.3 Å²	92.3	26%	0.255	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	176.4	-177.7	0	0	0	0	108.6	I633 S637 R643 E645	I633-V635 HydrophobicContact CD1-CG2 4.39Å; I633-V635 HydrophobicContact CG1-CG2 4.48Å; V635-S637 PolarHBondContact O-N 2.91Å; V635-R643 PolarHBondContact N-O 3.36Å; V635-R643 PolarHBondContact O-N 2.86Å; V635-R643 VanDerWaalsContact O-O 3.06Å; V635-E645 HydrophobicContact CB-CG 4.3Å; V635-E645 HydrophobicContact CG2-CB 3.81Å; V635-E645 HydrophobicContact CG2-CG 3.74Å
636	K	78.6	Confident	84.7	Confident	174 Å²	174	91.8 Å²	91.8	76%	0.757	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.5	172.2	-72.3	-176.2	178.3	-179.3	0	108.4
637	S	74.9	Confident	84.5	Confident	25 Å²	25	93.1 Å²	93.1	18%	0.175	49%	0.489	C	S	.	.			trans	-68.2	158	169.1	80.3	0	0	0	0	110.3	V635 D639 G640 T641	V635-S637 PolarHBondContact O-N 2.91Å; S637-D639 PolarHBondContact O-N 3.48Å; S637-D639 VanDerWaalsContact O-N 3.13Å; S637-D639 PolarHBondContact OG-N 3.39Å; S637-G640 PolarHBondContact O-N 2.95Å; S637-T641 WeakPolarHBondContact CB-O 3.45Å; S637-T641 WeakPolarHBondContact CB-OG1 3.33Å; S637-T641 PolarHBondContact N-O 2.92Å; S637-T641 PolarHBondContact OG-N 2.81Å; S637-T641 VanDerWaalsContact OG-N 3.1Å; S637-T641 PolarHBondContact OG-O 3.31Å; S637-T641 PolarHBondContact OG-OG1 3.19Å
638	P	78.9	Confident	84.4	Confident	135 Å²	135	94.9 Å²	94.9	88%	0.877	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-33	173.5	-25.7	34.4	0	0	0	112.9	G640	P638-G640 PolarHBondContact O-N 2.92Å
639	D	80.4	Confident	84.4	Confident	147 Å²	147	97 Å²	97	79%	0.786	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	8.1	-178.5	-45.9	-36	0	0	0	113.5	S637 T641	S637-D639 PolarHBondContact O-N 3.48Å; S637-D639 VanDerWaalsContact O-N 3.13Å; S637-D639 PolarHBondContact OG-N 3.39Å; D639-T641 VanDerWaalsContact C-N 3.28Å; D639-T641 PolarHBondContact O-N 2.72Å
640	G	77.6	Confident	84.4	Confident	62 Å²	62	95.7 Å²	95.7	64%	0.639	49%	0.49	S	S	*	.	S	Bend	trans	80.6	-1.3	178.5	0	0	0	0	0	115.2	S637 P638	S637-G640 PolarHBondContact O-N 2.95Å; P638-G640 PolarHBondContact O-N 2.92Å
641	T	77.2	Confident	84.5	Confident	86 Å²	86	91.8 Å²	91.8	53%	0.528	47%	0.474	S	S	.	.			trans	-75.1	138.2	174.8	69.4	0	0	0	0	110.8	S637 D639 R643	S637-T641 WeakPolarHBondContact CB-O 3.45Å; S637-T641 WeakPolarHBondContact CB-OG1 3.33Å; S637-T641 PolarHBondContact N-O 2.92Å; S637-T641 PolarHBondContact OG-N 2.81Å; S637-T641 VanDerWaalsContact OG-N 3.1Å; S637-T641 PolarHBondContact OG-O 3.31Å; S637-T641 PolarHBondContact OG-OG1 3.19Å; D639-T641 VanDerWaalsContact C-N 3.28Å; D639-T641 PolarHBondContact O-N 2.72Å; T641-R643 PolarHBondContact O-N 3.21Å
642	Q	73.6	Confident	84.7	Confident	159 Å²	159	90.8 Å²	90.8	74%	0.743	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.6	172.6	-73	-172.1	1.3	0	0	109.2
643	R	80.1	Confident	85	Confident	165 Å²	165	93 Å²	93	62%	0.623	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	152.5	166	-168.8	175.2	178.4	-179	-1.1	108.8	V635 T641	V635-R643 PolarHBondContact N-O 3.36Å; V635-R643 PolarHBondContact O-N 2.86Å; V635-R643 VanDerWaalsContact O-O 3.06Å; T641-R643 PolarHBondContact O-N 3.21Å
644	R	80.7	Confident	85.3	Confident	201 Å²	201	91.6 Å²	91.6	76%	0.758	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	166.7	-68.6	-176.6	179.3	-177.8	0.2	108.5	I633	I633-R644 WeakPolarHBondContact O-CA 3.3Å
645	E	86.7	Confident	85.9	Confident	86 Å²	86	95.6 Å²	95.6	40%	0.402	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	163.1	167.9	-69.3	-178.4	-177.4	0	0	108.9	S632 I633 V635	S632-E645 CarbonylContact C-O 3.55Å; S632-E645 WeakPolarHBondContact CA-O 3.32Å; I633-E645 HydrophobicContact CD1-CB 4.18Å; I633-E645 HydrophobicContact CG1-CB 3.99Å; I633-E645 VanDerWaalsContact CG1-O 3.25Å; I633-E645 WeakPolarHBondContact CG1-O 3.46Å; I633-E645 PolarHBondContact N-O 3.41Å; I633-E645 PolarHBondContact O-N 3.2Å; V635-E645 HydrophobicContact CB-CG 4.3Å; V635-E645 HydrophobicContact CG2-CB 3.81Å; V635-E645 HydrophobicContact CG2-CG 3.74Å
646	T	86.6	Confident	86.6	Confident	69 Å²	69	95 Å²	95	42%	0.423	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.3	-176.5	52.1	0	0	0	0	108.2	E630 F631	E630-T646 HydrophobicContact CG-CG2 4.21Å; E630-T646 WeakPolarHBondContact OE1-CG2 3.41Å; F631-T646 WeakPolarHBondContact O-CA 3.48Å
647	E	90.4	Very high	87.5	Confident	49 Å²	49	93.7 Å²	93.7	23%	0.229	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129	176.2	-177	-176.1	-144.6	0	0	109	M535 F631 I633 R649	M535-E647 HydrophobicContact CE-CG 3.8Å; F631-E647 PolarHBondContact N-O 2.53Å; F631-E647 PolarHBondContact O-N 2.76Å; I633-E647 HydrophobicContact CD1-CB 4.21Å; I633-E647 HydrophobicContact CG1-CB 4.49Å; E647-R649 HydrophobicContact CG-CG 4.37Å; E647-R649 IonicContact OE2-CZ 2.63Å; E647-R649 IonicContact OE2-NE 2.68Å; E647-R649 PolarHBondContact OE2-NE 2.85Å; E647-R649 IonicContact OE2-NH2 3.14Å; E647-R649 PolarHBondContact OE2-NH2 2.77Å
648	F	92.6	Very high	88.6	Confident	61 Å²	61	96.4 Å²	96.4	27%	0.268	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.6	174.3	-76	-101.5	0	0	0	111.2	M535 L628 E629 E630 E720	M535-F648 VanDerWaalsContact CE-O 3.29Å; M535-F648 WeakPolarHBondContact CE-O 3.33Å; L628-F648 HydrophobicContact CB-CD1 4.26Å; E629-F648 CarbonylContact O-C 3.57Å; E629-F648 VanDerWaalsContact O-CA 3.31Å; E629-F648 WeakPolarHBondContact O-CA 3.49Å; E630-F648 HydrophobicContact CB-CD1 4.39Å; E630-F648 HydrophobicContact CB-CE1 3.97Å; E630-F648 HydrophobicContact CB-CE2 4.34Å; E630-F648 HydrophobicContact CB-CZ 3.95Å; E630-F648 HydrophobicContact CG-CE2 4.13Å; E630-F648 HydrophobicContact CG-CZ 4.12Å; F648-E720 HydrophobicContact CB-CB 4.17Å; F648-E720 HydrophobicContact CD2-CB 4.19Å; F648-E720 HydrophobicContact CD2-CG 3.69Å; F648-E720 WeakPolarHBondContact CD2-OE2 3.26Å; F648-E720 HydrophobicContact CE2-CG 4.24Å; F648-E720 HydrophobicContact CG-CB 4.42Å; F648-E720 HydrophobicContact CG-CG 4.36Å
649	R	94.5	Very high	89.5	Confident	87 Å²	87	94.6 Å²	94.6	33%	0.328	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148	174.7	-57.3	178.3	178.2	176.6	-1.1	111.5	N534 M535 E629 F631 E647 V651	N534-R649 CarbonylContact O-C 3.54Å; N534-R649 WeakPolarHBondContact O-CA 3.48Å; M535-R649 HydrophobicContact SD-CG 4.16Å; E629-R649 PolarHBondContact N-O 2.81Å; E629-R649 PolarHBondContact O-N 3.11Å; F631-R649 HydrophobicContact CD2-CB 3.72Å; F631-R649 HydrophobicContact CD2-CG 3.92Å; F631-R649 HydrophobicContact CE2-CB 3.63Å; F631-R649 HydrophobicContact CE2-CG 4.32Å; E647-R649 HydrophobicContact CG-CG 4.37Å; E647-R649 IonicContact OE2-CZ 2.63Å; E647-R649 IonicContact OE2-NE 2.68Å; E647-R649 PolarHBondContact OE2-NE 2.85Å; E647-R649 IonicContact OE2-NH2 3.14Å; E647-R649 PolarHBondContact OE2-NH2 2.77Å; R649-V651 PolarHBondContact O-N 3.34Å
650	R	94.8	Very high	90.4	Very high	37 Å²	37	89.7 Å²	89.7	14%	0.14	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.8	172.5	173.5	167.4	174.2	-82.4	4.4	110.6	N534 E536 L537 S553 H554 A627 L628	N534-R650 WeakPolarHBondContact O-CB 3.5Å; N534-R650 PolarHBondContact O-N 2.98Å; E536-R650 WeakPolarHBondContact O-CD 3.48Å; L537-R650 WeakPolarHBondContact O-CD 3.47Å; L537-R650 PolarHBondContact O-NE 2.86Å; S553-R650 PolarHBondContact O-NH2 3.12Å; H554-R650 PolarHBondContact CE1-NH2 3.5Å; H554-R650 VanDerWaalsContact CE1-NH2 3.3Å; H554-R650 PolarHBondContact NE2-NH2 3.32Å; A627-R650 CarbonylContact O-C 3.56Å; A627-R650 WeakPolarHBondContact O-CA 3.43Å; L628-R650 HydrophobicContact CD2-CB 4.3Å
651	V	95.4	Very high	91.3	Very high	36 Å²	36	86.9 Å²	86.9	22%	0.218	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.6	172.2	-179.4	0	0	0	0	109.7	V626 A627 E629 F631 R649 K653	V626-V651 WeakPolarHBondContact CA-O 3.38Å; A627-V651 PolarHBondContact N-O 3.31Å; A627-V651 PolarHBondContact O-N 3.21Å; E629-V651 HydrophobicContact CB-CG2 3.99Å; E629-V651 HydrophobicContact CG-CB 4.25Å; E629-V651 HydrophobicContact CG-CG2 4Å; E629-V651 WeakPolarHBondContact OE2-CG2 3.45Å; F631-V651 HydrophobicContact CE2-CG2 3.92Å; F631-V651 HydrophobicContact CZ-CG2 3.7Å; R649-V651 PolarHBondContact O-N 3.34Å; V651-K653 HydrophobicContact CG1-CG 4.34Å
652	V	95.7	Very high	92.3	Very high	55 Å²	55	83.7 Å²	83.7	33%	0.333	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.1	178.9	-175.9	0	0	0	0	108.9	T623 V626 G654	T623-V652 HydrophobicContact CG2-CG1 3.88Å; V626-V652 HydrophobicContact CG1-CG2 4.33Å; V652-G654 WeakPolarHBondContact CG1-O 3.24Å
653	K	94.2	Very high	93.3	Very high	128 Å²	128	78.6 Å²	78.6	56%	0.557	36%	0.36	S	S	*	.			trans	-94.3	2.9	-174.6	-60.8	-174.6	179.9	-173.8	0	114.2	L625 E629 V651	L625-K653 HydrophobicContact CB-CB 4.22Å; L625-K653 PolarHBondContact O-N 2.94Å; E629-K653 WeakPolarHBondContact OE1-CE 3.36Å; E629-K653 IonicContact OE1-NZ 3.42Å; E629-K653 PolarHBondContact OE1-NZ 3.47Å; V651-K653 HydrophobicContact CG1-CG 4.34Å
654	G	92.4	Very high	94.1	Very high	18 Å²	18	71 Å²	71	19%	0.186	33%	0.332	C	S	.	.	S	Bend	trans	-155.3	142	178	0	0	0	0	0	111.8	T623 V652 P656	T623-G654 WeakPolarHBondContact CG2-O 3Å; T623-G654 PolarHBondContact OG1-O 3Å; V652-G654 WeakPolarHBondContact CG1-O 3.24Å; G654-P656 WeakPolarHBondContact O-CD 3.41Å
655	K	95.9	Very high	94.9	Very high	185 Å²	185	61.7 Å²	61.7	80%	0.804	30%	0.297	S	S	*	.			trans	-61.2	120.7	-178.3	-172.9	175.7	-178.3	176.5	0	110.4
656	P	97.1	Very high	95.5	Very high	30 Å²	30	57.6 Å²	57.6	20%	0.195	28%	0.277	C	S	.	.			trans	-68.6	150.8	176.9	32.1	-37.4	0	0	0	111.3	H554 L621 H622 T623 G654	H554-P656 VanDerWaalsContact ND1-CB 3.27Å; H554-P656 WeakPolarHBondContact ND1-CB 3.26Å; L621-P656 HydrophobicContact CD1-CB 3.9Å; L621-P656 HydrophobicContact CD1-CG 4.14Å; L621-P656 HydrophobicContact CD2-CG 4.45Å; L621-P656 HydrophobicContact CG-CB 3.9Å; L621-P656 HydrophobicContact CG-CG 4.12Å; H622-P656 WeakPolarHBondContact O-CA 3.37Å; T623-P656 HydrophobicContact CG2-CB 4.01Å; G654-P656 WeakPolarHBondContact O-CD 3.41Å
657	K	98	Very high	96.1	Very high	147 Å²	147	54.3 Å²	54.3	64%	0.639	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.7	177.8	-62.5	-176.9	-178.3	-178.6	0	109.6	H622 R659	H622-K657 PolarHBondContact N-O 2.99Å; H622-K657 PolarHBondContact O-N 2.79Å; H622-K657 VanDerWaalsContact O-N 3.09Å; K657-R659 PolarHBondContact O-N 3.27Å
658	L	98.2	Very high	96.5	Very high	82 Å²	82	52 Å²	52	43%	0.429	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	117.8	167.6	-70.1	173.5	0	0	0	108.5	D558 Y619 G620 L621	D558-L658 HydrophobicContact CB-CD2 3.98Å; Y619-L658 HydrophobicContact CE1-CB 4.26Å; Y619-L658 HydrophobicContact CE1-CD2 4.27Å; G620-L658 WeakPolarHBondContact O-CA 3.19Å; L621-L658 HydrophobicContact CB-CD2 3.99Å; L621-L658 HydrophobicContact CD1-CG 4.46Å
659	R	97.7	Very high	96.7	Very high	97 Å²	97	49.4 Å²	49.4	37%	0.366	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	166.5	-177.2	66.4	-179.1	-144.4	-171	1.2	111.3	Y619 G620 H622 K657 V661 D663	Y619-R659 WeakPolarHBondContact CA-O 3.31Å; Y619-R659 WeakPolarHBondContact CD2-O 3.49Å; G620-R659 PolarHBondContact N-O 2.87Å; G620-R659 VanDerWaalsContact N-O 3.07Å; G620-R659 PolarHBondContact O-N 3.46Å; H622-R659 HydrophobicContact CB-CG 4.3Å; H622-R659 PolarHBondContact CD2-NH2 3.2Å; K657-R659 PolarHBondContact O-N 3.27Å; R659-V661 PolarHBondContact O-N 3.39Å; R659-D663 IonicContact CZ-OD1 2.79Å; R659-D663 IonicContact NH2-OD1 3.23Å; R659-D663 PolarHBondContact NH2-OD1 2.85Å; R659-D663 IonicContact NH2-OD2 3.85Å; R659-D663 PolarHBondContact NH2-OD2 3.37Å
660	L	98.4	Very high	96.9	Very high	44 Å²	44	45.3 Å²	45.3	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	132.4	160.1	-66.7	173.1	0	0	0	109.9	L607 W609 C617 D618 Y619 S662	L607-L660 VanDerWaalsContact O-CD2 3.25Å; L607-L660 WeakPolarHBondContact O-CD2 3.35Å; W609-L660 WeakPolarHBondContact O-CD1 3.45Å; C617-L660 HydrophobicContact CB-CB 4.15Å; C617-L660 HydrophobicContact CB-CD2 4.21Å; D618-L660 WeakPolarHBondContact O-CA 3.45Å; Y619-L660 HydrophobicContact CD2-CD2 4.17Å; Y619-L660 HydrophobicContact CD2-CG 4.39Å; L660-S662 PolarHBondContact O-N 3.2Å
661	V	98	Very high	97.1	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	21%	0.214	C	C	.	.			trans	-80.1	58.9	176.8	-170	0	0	0	0	109.3	A552 D618 H622 R659 D663 V664	A552-V661 HydrophobicContact CB-CG2 3.84Å; D618-V661 HydrophobicContact CB-CB 4.47Å; D618-V661 HydrophobicContact CB-CG2 4.3Å; D618-V661 PolarHBondContact O-N 2.84Å; H622-V661 HydrophobicContact CB-CG2 3.93Å; R659-V661 PolarHBondContact O-N 3.39Å; V661-D663 VanDerWaalsContact C-N 3.31Å; V661-D663 PolarHBondContact O-N 3.45Å; V661-V664 HydrophobicContact CG1-CB 4.16Å; V661-V664 HydrophobicContact CG1-CG2 3.8Å; V661-V664 PolarHBondContact O-N 2.77Å
662	S	96.7	Very high	97.3	Very high	18 Å²	18	42 Å²	42	13%	0.126	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.3	-169	71.9	0	0	0	0	114.9	N613 C617 L660 V664	N613-S662 WeakPolarHBondContact OD1-CB 3.42Å; N613-S662 PolarHBondContact OD1-OG 3.05Å; C617-S662 VanDerWaalsContact SG-CA 3.57Å; L660-S662 PolarHBondContact O-N 3.2Å; S662-V664 VanDerWaalsContact C-N 3.29Å
663	D	95.7	Very high	97.4	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.7	173	53.6	-45.8	0	0	0	113.9	H622 R659 V661	H622-D663 IonicContact CD2-OD1 3.63Å; H622-D663 IonicContact NE2-OD1 2.69Å; H622-D663 PolarHBondContact NE2-OD1 3.3Å; H622-D663 IonicContact NE2-OD2 3.32Å; H622-D663 PolarHBondContact NE2-OD2 2.79Å; R659-D663 IonicContact CZ-OD1 2.79Å; R659-D663 IonicContact NH2-OD1 3.23Å; R659-D663 PolarHBondContact NH2-OD1 2.85Å; R659-D663 IonicContact NH2-OD2 3.85Å; R659-D663 PolarHBondContact NH2-OD2 3.37Å; V661-D663 VanDerWaalsContact C-N 3.31Å; V661-D663 PolarHBondContact O-N 3.45Å
664	V	96.6	Very high	97.6	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.042	16%	0.162	C	C	.	.			trans	-111.1	131.5	171.4	-179.6	0	0	0	0	109.4	F549 P550 V661 S662 N669 L707	F549-V664 HydrophobicContact CE1-CG1 3.85Å; F549-V664 HydrophobicContact CZ-CG1 3.93Å; P550-V664 HydrophobicContact CB-CG1 3.94Å; P550-V664 HydrophobicContact CB-CG2 3.94Å; P550-V664 HydrophobicContact CG-CG1 4.4Å; P550-V664 WeakPolarHBondContact O-CG1 3.25Å; V661-V664 HydrophobicContact CG1-CB 4.16Å; V661-V664 HydrophobicContact CG1-CG2 3.8Å; V661-V664 PolarHBondContact O-N 2.77Å; S662-V664 VanDerWaalsContact C-N 3.29Å; V664-N669 PolarHBondContact O-ND2 3.23Å; V664-N669 VanDerWaalsContact O-ND2 3.17Å; V664-L707 HydrophobicContact CG1-CD1 3.79Å
665	F	98.2	Very high	97.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.018	16%	0.157	C	C	.	.			trans	-142.2	127.7	176.5	-176.5	-116	0	0	0	112.1	R615 N669 L670 Q691 L697 L698 L707 S708	R615-F665 HydrophobicContact CB-CD2 4.25Å; R615-F665 HydrophobicContact CB-CE2 4.19Å; R615-F665 HydrophobicContact CG-CD2 4.49Å; R615-F665 VanDerWaalsContact NH1-CB 3.28Å; F665-N669 VanDerWaalsContact CA-OD1 3.29Å; F665-N669 WeakPolarHBondContact CA-OD1 3.08Å; F665-N669 HydrophobicContact CD2-CB 3.62Å; F665-N669 HydrophobicContact CE2-CB 3.78Å; F665-L670 HydrophobicContact CE2-CD2 4.43Å; F665-L670 HydrophobicContact CZ-CD2 4.28Å; F665-Q691 HydrophobicContact CE1-CB 3.66Å; F665-Q691 HydrophobicContact CZ-CB 3.54Å; F665-Q691 HydrophobicContact CZ-CG 4.44Å; F665-L697 HydrophobicContact CD1-CB 4.33Å; F665-L697 HydrophobicContact CD1-CD1 4.39Å; F665-L697 HydrophobicContact CE1-CB 4.31Å; F665-L697 HydrophobicContact CE1-CD1 4.25Å; F665-L698 HydrophobicContact CD1-CD1 4.1Å; F665-L698 HydrophobicContact CD1-CD2 4.18Å; F665-L698 HydrophobicContact CD1-CG 3.99Å; F665-L698 HydrophobicContact CE1-CD1 3.47Å; F665-L698 VanDerWaalsContact CE1-CD1 3.47Å; F665-L698 HydrophobicContact CE1-CD2 4.3Å; F665-L698 HydrophobicContact CE1-CG 3.62Å; F665-L698 HydrophobicContact CZ-CD1 3.82Å; F665-L698 HydrophobicContact CZ-CG 4.46Å; F665-L707 WeakPolarHBondContact O-CD1 3.3Å; F665-S708 WeakPolarHBondContact O-CB 3.5Å; F665-S708 PolarHBondContact O-N 3.05Å
666	G	98.4	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	179.4	-154.4	-176.3	0	0	0	0	0	111.2	V668 N669 S706	G666-V668 VanDerWaalsContact C-N 3.33Å; G666-V668 PolarHBondContact O-N 3.05Å; G666-N669 PolarHBondContact N-OD1 2.79Å; G666-N669 WeakPolarHBondContact O-CB 3.37Å; G666-N669 PolarHBondContact O-N 3.23Å; G666-N669 VanDerWaalsContact O-N 3.11Å; G666-N669 PolarHBondContact O-OD1 2.91Å; G666-S706 WeakPolarHBondContact CA-O 3.42Å
667	Y	98.6	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-41.1	-173.8	-62.8	-29.1	0	0	0	114.5	N669 L670 F671 F674 L704 R705 S706 W726 W731 M734 N735	Y667-N669 PolarHBondContact O-N 3.41Å; Y667-N669 VanDerWaalsContact O-N 3.17Å; Y667-L670 WeakPolarHBondContact O-CB 3.31Å; Y667-L670 PolarHBondContact O-N 3.08Å; Y667-F671 VanDerWaalsContact O-CD2 3.26Å; Y667-F671 WeakPolarHBondContact O-CD2 3.33Å; Y667-F674 HydrophobicContact CD1-CZ 4.41Å; Y667-L704 HydrophobicContact CE1-CB 4.11Å; Y667-L704 PolarHBondContact OH-O 3.27Å; Y667-R705 WeakPolarHBondContact CE1-O 3.49Å; Y667-S706 VanDerWaalsContact CE2-CA 3.43Å; Y667-S706 VanDerWaalsContact CE2-CB 3.42Å; Y667-S706 VanDerWaalsContact CZ-CA 3.43Å; Y667-S706 PolarHBondContact N-O 3.38Å; Y667-W726 HydrophobicContact CD2-CE3 4.27Å; Y667-W726 HydrophobicContact CD2-CZ3 4.34Å; Y667-W726 HydrophobicContact CE2-CE3 4.32Å; Y667-W726 HydrophobicContact CE2-CZ3 4.26Å; Y667-W731 HydrophobicContact CE2-CB 3.91Å; Y667-W731 AromaticContact CE2-CD1 3.73Å; Y667-W731 HydrophobicContact CE2-CG 4.11Å; Y667-W731 PolarHBondContact OH-N 2.92Å; Y667-M734 HydrophobicContact CD1-CB 4Å; Y667-M734 HydrophobicContact CD2-CB 3.61Å; Y667-M734 HydrophobicContact CD2-CG 3.42Å; Y667-M734 VanDerWaalsContact CD2-CG 3.42Å; Y667-M734 HydrophobicContact CD2-SD 4.35Å; Y667-M734 HydrophobicContact CE1-CB 3.93Å; Y667-M734 HydrophobicContact CE2-CB 3.47Å; Y667-M734 VanDerWaalsContact CE2-CB 3.47Å; Y667-M734 HydrophobicContact CE2-CG 3.63Å; Y667-M734 HydrophobicContact CG-CB 3.85Å; Y667-M734 HydrophobicContact CG-CG 3.92Å; Y667-M734 HydrophobicContact CG-SD 4.44Å; Y667-N735 PolarHBondContact OH-ND2 2.97Å
668	V	98.5	Very high	97.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-52.6	-41.4	178.7	168.8	0	0	0	0	111.5	L546 F549 V562 D563 G666 L670 F671	L546-V668 HydrophobicContact CD1-CG2 3.52Å; F549-V668 HydrophobicContact CD1-CB 4.02Å; F549-V668 HydrophobicContact CD1-CG2 3.35Å; F549-V668 HydrophobicContact CD2-CG2 4.21Å; F549-V668 HydrophobicContact CE1-CB 3.46Å; F549-V668 VanDerWaalsContact CE1-CB 3.46Å; F549-V668 HydrophobicContact CE1-CG1 4.27Å; F549-V668 HydrophobicContact CE1-CG2 3.36Å; F549-V668 HydrophobicContact CE2-CB 4.38Å; F549-V668 HydrophobicContact CE2-CG2 4.19Å; F549-V668 HydrophobicContact CG-CG2 3.81Å; F549-V668 HydrophobicContact CZ-CB 3.67Å; F549-V668 HydrophobicContact CZ-CG2 3.8Å; V562-V668 HydrophobicContact CG1-CG1 3.5Å; V562-V668 VanDerWaalsContact CG1-O 3.25Å; V562-V668 WeakPolarHBondContact CG1-O 3.38Å; D563-V668 HydrophobicContact CB-CG1 4.41Å; G666-V668 VanDerWaalsContact C-N 3.33Å; G666-V668 PolarHBondContact O-N 3.05Å; V668-L670 PolarHBondContact O-N 3.26Å; V668-F671 WeakPolarHBondContact O-CD2 3.11Å; V668-F671 PolarHBondContact O-N 2.92Å
669	N	98.6	Very high	97.6	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-70.7	-16.5	-177.3	-47.8	83.4	0	0	0	113.1	Y616 V664 F665 G666 Y667	Y616-N669 WeakPolarHBondContact O-CB 3.2Å; Y616-N669 PolarHBondContact O-ND2 2.82Å; V664-N669 PolarHBondContact O-ND2 3.23Å; V664-N669 VanDerWaalsContact O-ND2 3.17Å; F665-N669 VanDerWaalsContact CA-OD1 3.29Å; F665-N669 WeakPolarHBondContact CA-OD1 3.08Å; F665-N669 HydrophobicContact CD2-CB 3.62Å; F665-N669 HydrophobicContact CE2-CB 3.78Å; G666-N669 PolarHBondContact N-OD1 2.79Å; G666-N669 WeakPolarHBondContact O-CB 3.37Å; G666-N669 PolarHBondContact O-N 3.23Å; G666-N669 VanDerWaalsContact O-N 3.11Å; G666-N669 PolarHBondContact O-OD1 2.91Å; Y667-N669 PolarHBondContact O-N 3.41Å; Y667-N669 VanDerWaalsContact O-N 3.17Å
670	L	98.7	Very high	97.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-96.1	-5	-178.2	-58.7	179.6	0	0	0	113.2	F665 Y667 V668 P672 L673 F674 I688 M692 L698 L704	F665-L670 HydrophobicContact CE2-CD2 4.43Å; F665-L670 HydrophobicContact CZ-CD2 4.28Å; Y667-L670 WeakPolarHBondContact O-CB 3.31Å; Y667-L670 PolarHBondContact O-N 3.08Å; V668-L670 PolarHBondContact O-N 3.26Å; L670-P672 VanDerWaalsContact C-N 3.35Å; L670-L673 CarbonylContact O-C 3.52Å; L670-L673 WeakPolarHBondContact O-CA 3.47Å; L670-L673 VanDerWaalsContact O-CB 3.28Å; L670-L673 WeakPolarHBondContact O-CB 3.39Å; L670-L673 PolarHBondContact O-N 3.04Å; L670-F674 HydrophobicContact CB-CD1 3.95Å; L670-F674 HydrophobicContact CB-CD2 4.34Å; L670-F674 HydrophobicContact CB-CE1 3.48Å; L670-F674 VanDerWaalsContact CB-CE1 3.48Å; L670-F674 HydrophobicContact CB-CE2 3.93Å; L670-F674 HydrophobicContact CB-CG 4.37Å; L670-F674 HydrophobicContact CB-CZ 3.49Å; L670-F674 VanDerWaalsContact CB-CZ 3.49Å; L670-F674 HydrophobicContact CD1-CE1 3.84Å; L670-F674 HydrophobicContact CD1-CZ 3.72Å; L670-F674 HydrophobicContact CG-CE1 4.31Å; L670-F674 HydrophobicContact CG-CZ 4.25Å; L670-F674 WeakPolarHBondContact O-CG 3.48Å; L670-F674 PolarHBondContact O-N 3.18Å; L670-I688 HydrophobicContact CD2-CG2 3.82Å; L670-M692 HydrophobicContact CD1-CG 4.08Å; L670-M692 HydrophobicContact CD1-SD 4.49Å; L670-M692 HydrophobicContact CD2-CG 3.92Å; L670-M692 HydrophobicContact CD2-SD 4.18Å; L670-L698 HydrophobicContact CD1-CD1 3.85Å; L670-L698 HydrophobicContact CG-CD1 4.49Å; L670-L704 HydrophobicContact CD1-CD1 4.38Å
671	F	98.7	Very high	97.2	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-56.2	-38.3	-178.5	-88.7	-96	0	0	0	115.1	L546 D563 W567 Y667 V668 L673 F674 L675 M734	L546-F671 HydrophobicContact CD1-CE2 3.97Å; L546-F671 HydrophobicContact CD1-CZ 4.34Å; D563-F671 HydrophobicContact CB-CB 4.14Å; D563-F671 HydrophobicContact CB-CD1 3.9Å; D563-F671 HydrophobicContact CB-CD2 3.53Å; D563-F671 HydrophobicContact CB-CE1 4.2Å; D563-F671 HydrophobicContact CB-CE2 3.82Å; D563-F671 HydrophobicContact CB-CG 3.55Å; D563-F671 HydrophobicContact CB-CZ 4.14Å; W567-F671 AromaticContact CE2-CE1 3.6Å; W567-F671 HydrophobicContact CZ2-CD1 4.49Å; W567-F671 AromaticContact CZ2-CE1 3.73Å; W567-F671 HydrophobicContact CZ2-CE1 3.73Å; W567-F671 AromaticContact NE1-CD1 3.75Å; W567-F671 AromaticContact NE1-CE1 3.22Å; Y667-F671 VanDerWaalsContact O-CD2 3.26Å; Y667-F671 WeakPolarHBondContact O-CD2 3.33Å; V668-F671 WeakPolarHBondContact O-CD2 3.11Å; V668-F671 PolarHBondContact O-N 2.92Å; F671-L673 PolarHBondContact O-N 2.73Å; F671-F674 HydrophobicContact CD2-CD2 4.28Å; F671-F674 HydrophobicContact CE2-CD2 4.4Å; F671-F674 HydrophobicContact CG-CD2 4.41Å; F671-F674 PolarHBondContact O-N 2.82Å; F671-L675 HydrophobicContact CD1-CD1 4.17Å; F671-L675 WeakPolarHBondContact O-CB 3.3Å; F671-L675 PolarHBondContact O-N 2.8Å; F671-M734 HydrophobicContact CE2-SD 4.33Å; F671-M734 HydrophobicContact CZ-CE 4.42Å; F671-M734 HydrophobicContact CZ-SD 4.03Å
672	P	98.5	Very high	97.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-35.8	170.8	-32.2	40.5	0	0	0	114.1	V562 L604 Y616 L670 R676 L677 L678	V562-P672 HydrophobicContact CG2-CG 3.78Å; L604-P672 HydrophobicContact CD1-CG 4.16Å; L604-P672 HydrophobicContact CD2-CB 4.03Å; L604-P672 HydrophobicContact CD2-CG 4.18Å; Y616-P672 HydrophobicContact CD1-CG 4.29Å; Y616-P672 HydrophobicContact CD2-CB 3.92Å; Y616-P672 HydrophobicContact CD2-CG 3.73Å; Y616-P672 HydrophobicContact CE2-CB 3.86Å; Y616-P672 HydrophobicContact CE2-CG 4.12Å; Y616-P672 HydrophobicContact CG-CB 4.47Å; Y616-P672 HydrophobicContact CG-CG 3.83Å; L670-P672 VanDerWaalsContact C-N 3.35Å; P672-R676 PolarHBondContact O-N 2.82Å; P672-L677 WeakPolarHBondContact O-CB 3.37Å; P672-L677 PolarHBondContact O-N 2.86Å; P672-L678 HydrophobicContact CB-CD2 4.13Å; P672-L678 HydrophobicContact CB-CG 4.38Å
673	L	98.4	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-73.8	-52.2	173.4	-179.6	79.3	0	0	0	110.6	L670 F671 L675 R676 L685 I688 F689 M692 S741 Y745	L670-L673 CarbonylContact O-C 3.52Å; L670-L673 WeakPolarHBondContact O-CA 3.47Å; L670-L673 VanDerWaalsContact O-CB 3.28Å; L670-L673 WeakPolarHBondContact O-CB 3.39Å; L670-L673 PolarHBondContact O-N 3.04Å; F671-L673 PolarHBondContact O-N 2.73Å; L673-L675 PolarHBondContact O-N 3.08Å; L673-R676 WeakPolarHBondContact O-CA 3.29Å; L673-R676 PolarHBondContact O-N 3.26Å; L673-L685 HydrophobicContact CD1-CD2 3.69Å; L673-I688 HydrophobicContact CB-CG2 4.42Å; L673-I688 HydrophobicContact CD2-CG2 3.84Å; L673-I688 HydrophobicContact CG-CG2 4.48Å; L673-F689 HydrophobicContact CD1-CE1 3.8Å; L673-F689 HydrophobicContact CD1-CZ 4.36Å; L673-F689 HydrophobicContact CD2-CE1 4.24Å; L673-M692 HydrophobicContact CD2-CE 3.99Å; L673-M692 HydrophobicContact CD2-SD 3.49Å; L673-M692 WeakPolarHBondContact CD2-SD 3.4Å; L673-S741 WeakPolarHBondContact O-CB 3.3Å; L673-Y745 HydrophobicContact CD1-CD2 3.87Å; L673-Y745 HydrophobicContact CD1-CE2 3.58Å
674	F	98.4	Very high	97.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-52.8	-40.3	-177.3	-70	-6.2	0	0	0	112.5	Y667 L670 F671 M734 M737 A738	Y667-F674 HydrophobicContact CD1-CZ 4.41Å; L670-F674 HydrophobicContact CB-CD1 3.95Å; L670-F674 HydrophobicContact CB-CD2 4.34Å; L670-F674 HydrophobicContact CB-CE1 3.48Å; L670-F674 VanDerWaalsContact CB-CE1 3.48Å; L670-F674 HydrophobicContact CB-CE2 3.93Å; L670-F674 HydrophobicContact CB-CG 4.37Å; L670-F674 HydrophobicContact CB-CZ 3.49Å; L670-F674 VanDerWaalsContact CB-CZ 3.49Å; L670-F674 HydrophobicContact CD1-CE1 3.84Å; L670-F674 HydrophobicContact CD1-CZ 3.72Å; L670-F674 HydrophobicContact CG-CE1 4.31Å; L670-F674 HydrophobicContact CG-CZ 4.25Å; L670-F674 WeakPolarHBondContact O-CG 3.48Å; L670-F674 PolarHBondContact O-N 3.18Å; F671-F674 HydrophobicContact CD2-CD2 4.28Å; F671-F674 HydrophobicContact CE2-CD2 4.4Å; F671-F674 HydrophobicContact CG-CD2 4.41Å; F671-F674 PolarHBondContact O-N 2.82Å; F674-M734 HydrophobicContact CD2-SD 4.44Å; F674-M734 HydrophobicContact CE2-SD 3.97Å; F674-M737 HydrophobicContact CB-CB 3.91Å; F674-M737 HydrophobicContact CB-CE 4.01Å; F674-M737 HydrophobicContact CB-SD 4.48Å; F674-M737 HydrophobicContact CD1-CB 4.22Å; F674-M737 HydrophobicContact CD2-CB 3.96Å; F674-M737 HydrophobicContact CD2-SD 4.29Å; F674-M737 HydrophobicContact CG-CB 3.78Å; F674-A738 HydrophobicContact CD1-CB 4.29Å; F674-A738 HydrophobicContact CE1-CB 3.58Å; F674-A738 HydrophobicContact CZ-CB 4.26Å
675	L	97.8	Very high	97.2	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.079	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10.4	179.6	-64.8	174.2	0	0	0	113.4	Y478 S566 W567 A570 F671 L673 L677 M737	Y478-L675 HydrophobicContact CD2-CD2 3.76Å; Y478-L675 HydrophobicContact CE2-CD2 4.17Å; Y478-L675 HydrophobicContact CG-CD2 4.45Å; S566-L675 VanDerWaalsContact C-CD1 3.45Å; S566-L675 WeakPolarHBondContact O-CD1 3.49Å; W567-L675 HydrophobicContact CD2-CD1 3.98Å; W567-L675 HydrophobicContact CE3-CD1 3.97Å; W567-L675 HydrophobicContact CE3-CD2 4.27Å; W567-L675 HydrophobicContact CG-CD1 4.34Å; W567-L675 HydrophobicContact CH2-CD2 4.27Å; W567-L675 HydrophobicContact CZ3-CD1 4.4Å; W567-L675 HydrophobicContact CZ3-CD2 3.93Å; A570-L675 HydrophobicContact CB-CB 4.16Å; A570-L675 HydrophobicContact CB-CD1 3.96Å; A570-L675 HydrophobicContact CB-CD2 4.07Å; A570-L675 HydrophobicContact CB-CG 4.29Å; F671-L675 HydrophobicContact CD1-CD1 4.17Å; F671-L675 WeakPolarHBondContact O-CB 3.3Å; F671-L675 PolarHBondContact O-N 2.8Å; L673-L675 PolarHBondContact O-N 3.08Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 HydrophobicContact CB-CD1 4.27Å; L675-L677 HydrophobicContact CB-CD2 4.32Å; L675-L677 HydrophobicContact CB-CG 4Å; L675-L677 WeakPolarHBondContact O-CD2 3.14Å; L675-L677 PolarHBondContact O-N 2.95Å; L675-M737 HydrophobicContact CD2-CE 3.6Å; L675-M737 HydrophobicContact CG-CE 4.13Å
676	R	96.1	Very high	97.2	Very high	48 Å²	48	29.8 Å²	29.8	18%	0.181	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.6	172.9	-53.5	170.9	-173.5	166.9	12.1	113	P672 L673 L678 S740 Y744 E814	P672-R676 PolarHBondContact O-N 2.82Å; L673-R676 WeakPolarHBondContact O-CA 3.29Å; L673-R676 PolarHBondContact O-N 3.26Å; R676-L678 VanDerWaalsContact C-N 3.35Å; R676-S740 PolarHBondContact NH2-O 2.61Å; R676-S740 PolarHBondContact NH2-OG 3.03Å; R676-Y744 HydrophobicContact CB-CD1 4.33Å; R676-Y744 HydrophobicContact CB-CE1 4.38Å; R676-Y744 HydrophobicContact CG-CD1 4Å; R676-Y744 HydrophobicContact CG-CG 4.26Å; R676-E814 PolarHBondContact NH1-O 3.42Å; R676-E814 PolarHBondContact NH2-O 2.81Å
677	L	96.2	Very high	97.2	Very high	33 Å²	33	32.4 Å²	32.4	17%	0.173	16%	0.164	C	C	.	.			trans	-86.8	-9.7	-177.4	-55	-178.3	0	0	0	112.6	S566 L569 L604 P672 L675	S566-L677 VanDerWaalsContact CA-CD1 3.49Å; L569-L677 HydrophobicContact CB-CD1 4.43Å; L569-L677 HydrophobicContact CB-CD2 4.45Å; L569-L677 HydrophobicContact CD2-CD1 4.18Å; L569-L677 HydrophobicContact CD2-CD2 3.95Å; L569-L677 HydrophobicContact CD2-CG 4.48Å; L569-L677 HydrophobicContact CG-CD2 3.96Å; L604-L677 HydrophobicContact CD2-CB 4.44Å; P672-L677 WeakPolarHBondContact O-CB 3.37Å; P672-L677 PolarHBondContact O-N 2.86Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 HydrophobicContact CB-CD1 4.27Å; L675-L677 HydrophobicContact CB-CD2 4.32Å; L675-L677 HydrophobicContact CB-CG 4Å; L675-L677 WeakPolarHBondContact O-CD2 3.14Å; L675-L677 PolarHBondContact O-N 2.95Å
678	L	95.9	Very high	97.2	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	17%	0.165	C	C	.	.	S	Bend	trans	-89.5	136.7	-179.5	-53.6	178.1	0	0	0	111.1	Y616 P672 R676 L685 I688 Y745	Y616-L678 HydrophobicContact CE2-CD1 4.31Å; Y616-L678 HydrophobicContact CE2-CD2 3.77Å; Y616-L678 WeakPolarHBondContact OH-CD2 3.44Å; P672-L678 HydrophobicContact CB-CD2 4.13Å; P672-L678 HydrophobicContact CB-CG 4.38Å; R676-L678 VanDerWaalsContact C-N 3.35Å; L678-L685 HydrophobicContact CB-CD2 4.21Å; L678-L685 HydrophobicContact CD1-CD2 3.81Å; L678-L685 HydrophobicContact CD1-CG 4.48Å; L678-I688 HydrophobicContact CD1-CD1 3.48Å; L678-I688 VanDerWaalsContact CD1-CD1 3.48Å; L678-Y745 PolarHBondContact N-OH 3.18Å; L678-Y745 PolarHBondContact O-OH 3.39Å
679	P	94.7	Very high	97.2	Very high	78 Å²	78	32.5 Å²	32.5	51%	0.506	17%	0.165	S	C	.	.			trans	-54.2	146.3	167.3	-24.4	33.7	0	0	0	111.8	D681 S682 L685	P679-D681 VanDerWaalsContact CB-OD1 3.31Å; P679-D681 WeakPolarHBondContact CB-OD1 3.46Å; P679-D681 PolarHBondContact O-N 2.67Å; P679-S682 WeakPolarHBondContact O-CB 3.38Å; P679-S682 PolarHBondContact O-N 3.44Å; P679-L685 WeakPolarHBondContact O-CD1 3.26Å
680	R	94	Very high	97.1	Very high	116 Å²	116	36.4 Å²	36.4	44%	0.438	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.1	-175.3	-65.3	166.3	173.8	-165.2	0.4	113.6	L685 Y744 Y745 A748	R680-L685 WeakPolarHBondContact O-CD1 3.22Å; R680-Y744 PolarHBondContact NE-OH 2.69Å; R680-Y744 PolarHBondContact NH2-OH 2.8Å; R680-Y744 VanDerWaalsContact NH2-OH 3.14Å; R680-Y745 HydrophobicContact CG-CE1 4.46Å; R680-A748 HydrophobicContact CG-CB 4.06Å
681	D	95	Very high	97.1	Very high	112 Å²	112	37.5 Å²	37.5	60%	0.599	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.2	178.4	61.7	-22	0	0	0	113	P679 P683	P679-D681 VanDerWaalsContact CB-OD1 3.31Å; P679-D681 WeakPolarHBondContact CB-OD1 3.46Å; P679-D681 PolarHBondContact O-N 2.67Å; D681-P683 WeakPolarHBondContact O-CD 3.29Å
682	S	95.7	Very high	97.1	Very high	13 Å²	13	37.3 Å²	37.3	9%	0.091	19%	0.187	C	C	.	.			trans	-63.2	122.6	-178.4	179.3	0	0	0	0	111.4	P679 K684 L685 Y752	P679-S682 WeakPolarHBondContact O-CB 3.38Å; P679-S682 PolarHBondContact O-N 3.44Å; S682-K684 PolarHBondContact O-N 3.33Å; S682-K684 PolarHBondContact OG-N 3.05Å; S682-L685 WeakPolarHBondContact O-CB 3.34Å; S682-L685 WeakPolarHBondContact O-CG 3.18Å; S682-L685 PolarHBondContact O-N 3.13Å; S682-Y752 WeakPolarHBondContact O-CE2 3.16Å
683	P	96.1	Very high	97.1	Very high	77 Å²	77	39.5 Å²	39.5	50%	0.5	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14	177	26	-34.4	0	0	0	113.9	D681 L685 E686 Y752	D681-P683 WeakPolarHBondContact O-CD 3.29Å; P683-L685 PolarHBondContact O-N 2.96Å; P683-E686 WeakPolarHBondContact O-CB 3.37Å; P683-E686 PolarHBondContact O-N 3.11Å; P683-Y752 VanDerWaalsContact CA-OH 3.32Å; P683-Y752 WeakPolarHBondContact CA-OH 3.37Å
684	K	97.5	Very high	97.1	Very high	35 Å²	35	42.5 Å²	42.5	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-27.8	173.7	-59	-175.6	169.6	74.7	0	112.4	D605 W609 Y616 S682 E686 H687 I688	D605-K684 WeakPolarHBondContact OD2-CE 3.36Å; D605-K684 IonicContact OD2-NZ 2.81Å; D605-K684 PolarHBondContact OD2-NZ 3.3Å; W609-K684 HydrophobicContact CD2-CD 3.78Å; W609-K684 HydrophobicContact CE3-CD 3.65Å; W609-K684 HydrophobicContact CE3-CG 4.37Å; W609-K684 HydrophobicContact CH2-CB 3.77Å; W609-K684 HydrophobicContact CH2-CD 3.81Å; W609-K684 HydrophobicContact CH2-CG 3.59Å; W609-K684 HydrophobicContact CZ2-CB 4.4Å; W609-K684 HydrophobicContact CZ2-CD 3.94Å; W609-K684 HydrophobicContact CZ2-CG 3.74Å; W609-K684 HydrophobicContact CZ3-CB 4Å; W609-K684 HydrophobicContact CZ3-CD 3.67Å; W609-K684 HydrophobicContact CZ3-CG 3.93Å; Y616-K684 HydrophobicContact CE2-CD 4.47Å; Y616-K684 WeakPolarHBondContact OH-CD 3.12Å; S682-K684 PolarHBondContact O-N 3.33Å; S682-K684 PolarHBondContact OG-N 3.05Å; K684-E686 VanDerWaalsContact C-N 3.25Å; K684-E686 PolarHBondContact O-N 2.84Å; K684-H687 PolarHBondContact O-N 3.03Å; K684-I688 VanDerWaalsContact O-CG1 3.26Å; K684-I688 WeakPolarHBondContact O-CG1 3.18Å; K684-I688 PolarHBondContact O-N 3.07Å
685	L	98	Very high	97.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-40.7	176.8	-70	170.9	0	0	0	111.2	L673 L678 P679 R680 S682 P683 H687 I688 F689 Y745 Y752	L673-L685 HydrophobicContact CD1-CD2 3.69Å; L678-L685 HydrophobicContact CB-CD2 4.21Å; L678-L685 HydrophobicContact CD1-CD2 3.81Å; L678-L685 HydrophobicContact CD1-CG 4.48Å; P679-L685 WeakPolarHBondContact O-CD1 3.26Å; R680-L685 WeakPolarHBondContact O-CD1 3.22Å; S682-L685 WeakPolarHBondContact O-CB 3.34Å; S682-L685 WeakPolarHBondContact O-CG 3.18Å; S682-L685 PolarHBondContact O-N 3.13Å; P683-L685 PolarHBondContact O-N 2.96Å; L685-H687 PolarHBondContact O-N 3.23Å; L685-I688 PolarHBondContact O-N 3.03Å; L685-F689 HydrophobicContact CB-CE2 4.04Å; L685-F689 HydrophobicContact CB-CZ 4.23Å; L685-F689 HydrophobicContact CD2-CE1 4.48Å; L685-F689 HydrophobicContact CD2-CZ 4.05Å; L685-F689 WeakPolarHBondContact O-CB 3.34Å; L685-F689 VanDerWaalsContact O-CD2 3.29Å; L685-F689 WeakPolarHBondContact O-CD2 3.35Å; L685-F689 WeakPolarHBondContact O-CG 3.39Å; L685-F689 PolarHBondContact O-N 3.31Å; L685-Y745 HydrophobicContact CD1-CD1 3.95Å; L685-Y745 HydrophobicContact CD1-CE1 3.9Å; L685-Y745 HydrophobicContact CD2-CD1 4.32Å; L685-Y745 HydrophobicContact CD2-CD2 4.35Å; L685-Y745 HydrophobicContact CD2-CE1 4.04Å; L685-Y745 HydrophobicContact CD2-CE2 4.11Å; L685-Y745 HydrophobicContact CD2-CG 4.49Å; L685-Y752 HydrophobicContact CB-CD2 3.8Å; L685-Y752 HydrophobicContact CB-CE2 4.37Å; L685-Y752 HydrophobicContact CB-CG 4.09Å; L685-Y752 HydrophobicContact CD1-CD2 3.89Å; L685-Y752 HydrophobicContact CG-CD2 4.45Å
686	E	97.4	Very high	97.1	Very high	75 Å²	75	50.7 Å²	50.7	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-50.5	178.9	-167.3	172.4	-155	0	0	112.3	P683 K684 F689 E690 Y752 K755	P683-E686 WeakPolarHBondContact O-CB 3.37Å; P683-E686 PolarHBondContact O-N 3.11Å; K684-E686 VanDerWaalsContact C-N 3.25Å; K684-E686 PolarHBondContact O-N 2.84Å; E686-F689 PolarHBondContact O-N 3.04Å; E686-E690 PolarHBondContact O-N 2.86Å; E686-Y752 HydrophobicContact CB-CD1 4.01Å; E686-Y752 HydrophobicContact CB-CE1 3.57Å; E686-Y752 HydrophobicContact CG-CD1 4.46Å; E686-Y752 HydrophobicContact CG-CE1 4.08Å; E686-K755 PolarHBondContact O-NZ 3.22Å; E686-K755 VanDerWaalsContact O-NZ 3.17Å
687	H	97.9	Very high	97.2	Very high	54 Å²	54	49.2 Å²	49.2	25%	0.25	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-38.8	179.5	-61.7	-41.1	0	0	0	112.2	K614 K684 L685 E690 Q691	K614-H687 HydrophobicContact CB-CB 4.04Å; K684-H687 PolarHBondContact O-N 3.03Å; L685-H687 PolarHBondContact O-N 3.23Å; H687-E690 IonicContact ND1-OE2 2.72Å; H687-E690 PolarHBondContact O-N 2.96Å; H687-Q691 WeakPolarHBondContact O-CB 3.27Å; H687-Q691 VanDerWaalsContact O-CG 3.28Å; H687-Q691 WeakPolarHBondContact O-CG 3.35Å; H687-Q691 PolarHBondContact O-N 2.94Å
688	I	98.4	Very high	97.3	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-46.6	178	-70	166.4	0	0	0	109.9	Y616 L670 L673 L678 K684 L685 E690 Q691 M692	Y616-I688 HydrophobicContact CD2-CD1 4.4Å; Y616-I688 HydrophobicContact CE2-CD1 4.13Å; L670-I688 HydrophobicContact CD2-CG2 3.82Å; L673-I688 HydrophobicContact CB-CG2 4.42Å; L673-I688 HydrophobicContact CD2-CG2 3.84Å; L673-I688 HydrophobicContact CG-CG2 4.48Å; L678-I688 HydrophobicContact CD1-CD1 3.48Å; L678-I688 VanDerWaalsContact CD1-CD1 3.48Å; K684-I688 VanDerWaalsContact O-CG1 3.26Å; K684-I688 WeakPolarHBondContact O-CG1 3.18Å; K684-I688 PolarHBondContact O-N 3.07Å; L685-I688 PolarHBondContact O-N 3.03Å; I688-E690 PolarHBondContact O-N 3.01Å; I688-Q691 PolarHBondContact O-N 2.86Å; I688-M692 HydrophobicContact CG2-CG 4.34Å; I688-M692 HydrophobicContact CG2-SD 3.74Å; I688-M692 WeakPolarHBondContact O-CB 3.46Å; I688-M692 VanDerWaalsContact O-CG 3.26Å; I688-M692 WeakPolarHBondContact O-CG 3.5Å; I688-M692 PolarHBondContact O-N 3Å
689	F	98.5	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-43.2	178.2	-61.2	-23.6	0	0	0	111.9	L673 L685 E686 Q691 M692 T693 L742 K755 A756	L673-F689 HydrophobicContact CD1-CE1 3.8Å; L673-F689 HydrophobicContact CD1-CZ 4.36Å; L673-F689 HydrophobicContact CD2-CE1 4.24Å; L685-F689 HydrophobicContact CB-CE2 4.04Å; L685-F689 HydrophobicContact CB-CZ 4.23Å; L685-F689 HydrophobicContact CD2-CE1 4.48Å; L685-F689 HydrophobicContact CD2-CZ 4.05Å; L685-F689 WeakPolarHBondContact O-CB 3.34Å; L685-F689 VanDerWaalsContact O-CD2 3.29Å; L685-F689 WeakPolarHBondContact O-CD2 3.35Å; L685-F689 WeakPolarHBondContact O-CG 3.39Å; L685-F689 PolarHBondContact O-N 3.31Å; E686-F689 PolarHBondContact O-N 3.04Å; F689-Q691 VanDerWaalsContact C-N 3.33Å; F689-Q691 PolarHBondContact O-N 3.4Å; F689-M692 HydrophobicContact CD1-SD 4.26Å; F689-M692 PolarHBondContact O-N 2.84Å; F689-T693 PolarHBondContact O-N 2.75Å; F689-T693 PolarHBondContact O-OG1 3.05Å; F689-L742 HydrophobicContact CD1-CD2 3.77Å; F689-L742 HydrophobicContact CE1-CD2 3.47Å; F689-L742 VanDerWaalsContact CE1-CD2 3.47Å; F689-L742 HydrophobicContact CZ-CD2 4.17Å; F689-K755 HydrophobicContact CB-CD 4.15Å; F689-K755 HydrophobicContact CB-CG 4.24Å; F689-K755 HydrophobicContact CD2-CB 4.29Å; F689-K755 HydrophobicContact CD2-CD 4.1Å; F689-K755 HydrophobicContact CD2-CG 4.01Å; F689-A756 HydrophobicContact CE2-CB 3.85Å; F689-A756 HydrophobicContact CZ-CB 3.9Å
690	E	98.2	Very high	97.6	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-58.4	-42.2	172.9	-88.8	156.6	-154	0	0	113.4	E686 H687 I688 T693 N694 K755	E686-E690 PolarHBondContact O-N 2.86Å; H687-E690 IonicContact ND1-OE2 2.72Å; H687-E690 PolarHBondContact O-N 2.96Å; I688-E690 PolarHBondContact O-N 3.01Å; E690-T693 PolarHBondContact O-OG1 2.9Å; E690-N694 WeakPolarHBondContact O-CB 3.45Å; E690-N694 PolarHBondContact O-N 2.67Å; E690-K755 IonicContact OE1-NZ 2.82Å; E690-K755 PolarHBondContact OE1-NZ 3.08Å
691	Q	98.1	Very high	97.8	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-73.9	-31.6	-179.6	-71.4	-176.5	-4.3	0	0	112.4	N613 F665 H687 I688 F689 L697	N613-Q691 PolarHBondContact O-NE2 3.06Å; F665-Q691 HydrophobicContact CE1-CB 3.66Å; F665-Q691 HydrophobicContact CZ-CB 3.54Å; F665-Q691 HydrophobicContact CZ-CG 4.44Å; H687-Q691 WeakPolarHBondContact O-CB 3.27Å; H687-Q691 VanDerWaalsContact O-CG 3.28Å; H687-Q691 WeakPolarHBondContact O-CG 3.35Å; H687-Q691 PolarHBondContact O-N 2.94Å; I688-Q691 PolarHBondContact O-N 2.86Å; F689-Q691 VanDerWaalsContact C-N 3.33Å; F689-Q691 PolarHBondContact O-N 3.4Å; Q691-L697 HydrophobicContact CB-CD1 3.89Å; Q691-L697 HydrophobicContact CG-CD1 3.86Å; Q691-L697 WeakPolarHBondContact O-CB 3.44Å
692	M	98.6	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-42.8	173.4	-72.9	169.1	72.4	0	0	111.7	L670 L673 I688 F689 N694 W699 L704 A738 L742	L670-M692 HydrophobicContact CD1-CG 4.08Å; L670-M692 HydrophobicContact CD1-SD 4.49Å; L670-M692 HydrophobicContact CD2-CG 3.92Å; L670-M692 HydrophobicContact CD2-SD 4.18Å; L673-M692 HydrophobicContact CD2-CE 3.99Å; L673-M692 HydrophobicContact CD2-SD 3.49Å; L673-M692 WeakPolarHBondContact CD2-SD 3.4Å; I688-M692 HydrophobicContact CG2-CG 4.34Å; I688-M692 HydrophobicContact CG2-SD 3.74Å; I688-M692 WeakPolarHBondContact O-CB 3.46Å; I688-M692 VanDerWaalsContact O-CG 3.26Å; I688-M692 WeakPolarHBondContact O-CG 3.5Å; I688-M692 PolarHBondContact O-N 3Å; F689-M692 HydrophobicContact CD1-SD 4.26Å; F689-M692 PolarHBondContact O-N 2.84Å; M692-N694 VanDerWaalsContact C-N 3.34Å; M692-W699 WeakPolarHBondContact O-CB 3.22Å; M692-W699 PolarHBondContact O-N 3.38Å; M692-L704 HydrophobicContact CB-CD2 4.3Å; M692-L704 HydrophobicContact CE-CD1 3.6Å; M692-L704 WeakPolarHBondContact O-CD2 3.42Å; M692-A738 HydrophobicContact CE-CB 4.16Å; M692-L742 HydrophobicContact CE-CD1 3.95Å; M692-L742 HydrophobicContact CE-CD2 4.37Å; M692-L742 HydrophobicContact CE-CG 4.33Å
693	T	98.4	Very high	98.1	Very high	46 Å²	46	40.7 Å²	40.7	28%	0.282	21%	0.212	S	C	.	.	H	α-helix	trans	-85	-1.8	-177.7	56.5	0	0	0	0	114.7	F689 E690 P695 W699 V759	F689-T693 PolarHBondContact O-N 2.75Å; F689-T693 PolarHBondContact O-OG1 3.05Å; E690-T693 PolarHBondContact O-OG1 2.9Å; T693-P695 VanDerWaalsContact O-CD 3.3Å; T693-P695 WeakPolarHBondContact O-CD 3.5Å; T693-W699 HydrophobicContact CG2-CE3 4.1Å; T693-W699 HydrophobicContact CG2-CZ3 4.02Å; T693-W699 WeakPolarHBondContact O-CB 3.39Å; T693-V759 HydrophobicContact CG2-CB 4.26Å; T693-V759 HydrophobicContact CG2-CG1 3.8Å; T693-V759 HydrophobicContact CG2-CG2 3.49Å; T693-V759 VanDerWaalsContact CG2-CG2 3.49Å
694	N	98.3	Very high	98.2	Very high	63 Å²	63	37 Å²	37	34%	0.337	19%	0.189	S	C	.	.			trans	-78.9	119.6	176.9	-174.3	-23.8	0	0	0	111.4	E690 M692 E696 L697 L698 W699	E690-N694 WeakPolarHBondContact O-CB 3.45Å; E690-N694 PolarHBondContact O-N 2.67Å; M692-N694 VanDerWaalsContact C-N 3.34Å; N694-E696 VanDerWaalsContact C-N 3.27Å; N694-E696 PolarHBondContact O-N 2.8Å; N694-E696 WeakPolarHBondContact OD1-CB 3.38Å; N694-E696 PolarHBondContact OD1-N 3.21Å; N694-L697 HydrophobicContact CB-CB 4.05Å; N694-L697 HydrophobicContact CB-CD1 4.04Å; N694-L697 HydrophobicContact CB-CG 3.95Å; N694-L697 CarbonylContact O-C 3.4Å; N694-L697 WeakPolarHBondContact O-CA 3.44Å; N694-L697 PolarHBondContact O-N 3.33Å; N694-L698 PolarHBondContact O-N 3.36Å; N694-L698 VanDerWaalsContact O-N 3.08Å; N694-W699 PolarHBondContact O-N 3.38Å; N694-W699 VanDerWaalsContact O-N 3.11Å
695	P	97.9	Very high	98.3	Very high	67 Å²	67	35.8 Å²	35.8	44%	0.435	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.8	179.1	-21.4	34.7	0	0	0	115.7	T693 L697 W699 K709	T693-P695 VanDerWaalsContact O-CD 3.3Å; T693-P695 WeakPolarHBondContact O-CD 3.5Å; P695-L697 VanDerWaalsContact C-N 3.25Å; P695-W699 HydrophobicContact CG-CB 4.46Å; P695-K709 WeakPolarHBondContact O-CE 3.46Å; P695-K709 PolarHBondContact O-NZ 3.46Å
696	E	97.6	Very high	98.3	Very high	121 Å²	121	35.7 Å²	35.7	57%	0.565	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.4	170.6	-61	-52.9	122.7	0	0	111.8	N694 K709	N694-E696 VanDerWaalsContact C-N 3.27Å; N694-E696 PolarHBondContact O-N 2.8Å; N694-E696 WeakPolarHBondContact OD1-CB 3.38Å; N694-E696 PolarHBondContact OD1-N 3.21Å; E696-K709 WeakPolarHBondContact O-CB 3.46Å
697	L	98.4	Very high	98.4	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.094	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-101.8	174.3	-54	-177.9	0	0	0	110.3	F665 Q691 N694 P695 R705 S708 K709 S710	F665-L697 HydrophobicContact CD1-CB 4.33Å; F665-L697 HydrophobicContact CD1-CD1 4.39Å; F665-L697 HydrophobicContact CE1-CB 4.31Å; F665-L697 HydrophobicContact CE1-CD1 4.25Å; Q691-L697 HydrophobicContact CB-CD1 3.89Å; Q691-L697 HydrophobicContact CG-CD1 3.86Å; Q691-L697 WeakPolarHBondContact O-CB 3.44Å; N694-L697 HydrophobicContact CB-CB 4.05Å; N694-L697 HydrophobicContact CB-CD1 4.04Å; N694-L697 HydrophobicContact CB-CG 3.95Å; N694-L697 CarbonylContact O-C 3.4Å; N694-L697 WeakPolarHBondContact O-CA 3.44Å; N694-L697 PolarHBondContact O-N 3.33Å; P695-L697 VanDerWaalsContact C-N 3.25Å; L697-R705 WeakPolarHBondContact O-CD 3.34Å; L697-S708 WeakPolarHBondContact CA-OG 3.39Å; L697-S708 WeakPolarHBondContact CD2-OG 3.28Å; L697-S708 WeakPolarHBondContact O-CA 3.45Å; L697-K709 PolarHBondContact O-N 2.92Å; L697-S710 WeakPolarHBondContact CD2-OG 3.37Å
698	L	98.6	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-20.1	-168.6	-56.9	-177.2	0	0	0	114.1	F665 L670 N694 L704 R705	F665-L698 HydrophobicContact CD1-CD1 4.1Å; F665-L698 HydrophobicContact CD1-CD2 4.18Å; F665-L698 HydrophobicContact CD1-CG 3.99Å; F665-L698 HydrophobicContact CE1-CD1 3.47Å; F665-L698 VanDerWaalsContact CE1-CD1 3.47Å; F665-L698 HydrophobicContact CE1-CD2 4.3Å; F665-L698 HydrophobicContact CE1-CG 3.62Å; F665-L698 HydrophobicContact CZ-CD1 3.82Å; F665-L698 HydrophobicContact CZ-CG 4.46Å; L670-L698 HydrophobicContact CD1-CD1 3.85Å; L670-L698 HydrophobicContact CG-CD1 4.49Å; N694-L698 PolarHBondContact O-N 3.36Å; N694-L698 VanDerWaalsContact O-N 3.08Å; L698-L704 HydrophobicContact CB-CD2 4.18Å; L698-L704 WeakPolarHBondContact O-CA 3.45Å; L698-R705 HydrophobicContact CD2-CG 4.35Å; L698-R705 WeakPolarHBondContact O-CG 3.26Å; L698-R705 PolarHBondContact O-N 3.11Å
699	W	98.7	Very high	98.4	Very high	38 Å²	38	33.1 Å²	33.1	14%	0.144	17%	0.169	C	C	.	.			trans	-70.6	137	-171.7	-164.8	-105.2	0	0	0	112.3	M692 T693 N694 P695 L704 R705 V759 E762 L763	M692-W699 WeakPolarHBondContact O-CB 3.22Å; M692-W699 PolarHBondContact O-N 3.38Å; T693-W699 HydrophobicContact CG2-CE3 4.1Å; T693-W699 HydrophobicContact CG2-CZ3 4.02Å; T693-W699 WeakPolarHBondContact O-CB 3.39Å; N694-W699 PolarHBondContact O-N 3.38Å; N694-W699 VanDerWaalsContact O-N 3.11Å; P695-W699 HydrophobicContact CG-CB 4.46Å; W699-L704 HydrophobicContact CE3-CD2 3.87Å; W699-L704 HydrophobicContact CZ3-CD2 4.36Å; W699-R705 PolarHBondContact O-NH2 3.47Å; W699-V759 HydrophobicContact CZ3-CG1 4.26Å; W699-E762 HydrophobicContact CH2-CB 3.72Å; W699-E762 HydrophobicContact CZ2-CB 3.79Å; W699-L763 HydrophobicContact CH2-CB 3.93Å; W699-L763 HydrophobicContact CZ3-CB 3.96Å; W699-L763 HydrophobicContact CZ3-CD1 4.12Å
700	T	98.6	Very high	98.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.195	C	C	.	.			trans	-140.1	158.8	169.8	89.9	0	0	0	0	108.8	Y702 G703 R705 V730 D787	T700-Y702 PolarHBondContact O-N 2.61Å; T700-Y702 WeakPolarHBondContact OG1-CA 3.38Å; T700-Y702 PolarHBondContact OG1-N 2.85Å; T700-G703 VanDerWaalsContact CB-O 3.25Å; T700-G703 WeakPolarHBondContact CB-O 3.18Å; T700-G703 VanDerWaalsContact CG2-O 3.24Å; T700-G703 WeakPolarHBondContact CG2-O 3.21Å; T700-G703 PolarHBondContact N-O 2.78Å; T700-G703 PolarHBondContact O-N 2.86Å; T700-G703 PolarHBondContact OG1-N 3.43Å; T700-G703 VanDerWaalsContact OG1-N 3.12Å; T700-G703 PolarHBondContact OG1-O 2.87Å; T700-R705 HydrophobicContact CG2-CB 3.89Å; T700-R705 HydrophobicContact CG2-CG 4.33Å; T700-V730 HydrophobicContact CG2-CG2 4.27Å; T700-D787 HydrophobicContact CG2-CB 4.02Å
701	P	98.2	Very high	98.1	Very high	90 Å²	90	33 Å²	33	58%	0.584	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.6	169.9	-22	34.6	0	0	0	115.1	A766	P701-A766 WeakPolarHBondContact O-CB 3.41Å
702	Y	98.6	Very high	97.9	Very high	52 Å²	52	39.1 Å²	39.1	20%	0.204	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-2.7	-171.8	-43.9	-64.2	0	0	0	113.1	T700 N770 V788	T700-Y702 PolarHBondContact O-N 2.61Å; T700-Y702 WeakPolarHBondContact OG1-CA 3.38Å; T700-Y702 PolarHBondContact OG1-N 2.85Å; Y702-N770 HydrophobicContact CD1-CB 4.07Å; Y702-N770 VanDerWaalsContact CD1-OD1 3.31Å; Y702-N770 WeakPolarHBondContact CD1-OD1 3.39Å; Y702-V788 WeakPolarHBondContact CE2-O 3.36Å; Y702-V788 PolarHBondContact OH-O 3.06Å
703	G	98.6	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	130.7	179.6	-172.7	0	0	0	0	0	113.1	T700 R705	T700-G703 VanDerWaalsContact CB-O 3.25Å; T700-G703 WeakPolarHBondContact CB-O 3.18Å; T700-G703 VanDerWaalsContact CG2-O 3.24Å; T700-G703 WeakPolarHBondContact CG2-O 3.21Å; T700-G703 PolarHBondContact N-O 2.78Å; T700-G703 PolarHBondContact O-N 2.86Å; T700-G703 PolarHBondContact OG1-N 3.43Å; T700-G703 VanDerWaalsContact OG1-N 3.12Å; T700-G703 PolarHBondContact OG1-O 2.87Å; G703-R705 PolarHBondContact O-N 3.25Å
704	L	98.8	Very high	97.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.199	C	C	.	.			trans	-74.6	124.9	173.6	-59.7	177	0	0	0	109.8	Y667 L670 M692 L698 W699 N735 A738 L763	Y667-L704 HydrophobicContact CE1-CB 4.11Å; Y667-L704 PolarHBondContact OH-O 3.27Å; L670-L704 HydrophobicContact CD1-CD1 4.38Å; M692-L704 HydrophobicContact CB-CD2 4.3Å; M692-L704 HydrophobicContact CE-CD1 3.6Å; M692-L704 WeakPolarHBondContact O-CD2 3.42Å; L698-L704 HydrophobicContact CB-CD2 4.18Å; L698-L704 WeakPolarHBondContact O-CA 3.45Å; W699-L704 HydrophobicContact CE3-CD2 3.87Å; W699-L704 HydrophobicContact CZ3-CD2 4.36Å; L704-N735 PolarHBondContact N-OD1 2.99Å; L704-N735 PolarHBondContact O-ND2 3.37Å; L704-N735 VanDerWaalsContact O-ND2 3.16Å; L704-A738 HydrophobicContact CD1-CB 3.82Å; L704-L763 HydrophobicContact CD1-CD2 3.9Å; L704-L763 HydrophobicContact CD2-CD1 4.22Å; L704-L763 HydrophobicContact CG-CD1 3.82Å; L704-L763 HydrophobicContact CG-CD2 3.95Å
705	R	98.6	Very high	97.6	Very high	8 Å²	8	40.8 Å²	40.8	3%	0.03	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-68.8	149.8	169.8	66.8	-172.9	83.7	-132.9	-3.8	111.2	Y667 L697 L698 W699 T700 G703 L707 Y714 G728 D787	Y667-R705 WeakPolarHBondContact CE1-O 3.49Å; L697-R705 WeakPolarHBondContact O-CD 3.34Å; L698-R705 HydrophobicContact CD2-CG 4.35Å; L698-R705 WeakPolarHBondContact O-CG 3.26Å; L698-R705 PolarHBondContact O-N 3.11Å; W699-R705 PolarHBondContact O-NH2 3.47Å; T700-R705 HydrophobicContact CG2-CB 3.89Å; T700-R705 HydrophobicContact CG2-CG 4.33Å; G703-R705 PolarHBondContact O-N 3.25Å; R705-L707 VanDerWaalsContact C-N 3.32Å; R705-L707 WeakPolarHBondContact CD-O 3.49Å; R705-L707 WeakPolarHBondContact CG-O 3.16Å; R705-L707 PolarHBondContact O-N 3.36Å; R705-Y714 PolarHBondContact NH1-OH 2.88Å; R705-G728 WeakPolarHBondContact CB-O 3.17Å; R705-D787 HydrophobicContact CB-CB 3.89Å; R705-D787 IonicContact CZ-OD2 3.78Å; R705-D787 IonicContact NE-OD2 3.76Å; R705-D787 IonicContact NH1-OD2 3.81Å; R705-D787 PolarHBondContact NH1-OD2 3.46Å
706	S	98.4	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-64.8	-31.9	-176.8	41.3	0	0	0	0	114.4	G666 Y667 R727 G728 A729	G666-S706 WeakPolarHBondContact CA-O 3.42Å; Y667-S706 VanDerWaalsContact CE2-CA 3.43Å; Y667-S706 VanDerWaalsContact CE2-CB 3.42Å; Y667-S706 VanDerWaalsContact CZ-CA 3.43Å; Y667-S706 PolarHBondContact N-O 3.38Å; S706-R727 PolarHBondContact OG-N 2.78Å; S706-G728 VanDerWaalsContact OG-C 3.3Å; S706-G728 WeakPolarHBondContact OG-CA 3.43Å; S706-G728 PolarHBondContact OG-N 3.32Å; S706-A729 VanDerWaalsContact CB-O 3.25Å; S706-A729 WeakPolarHBondContact CB-O 3.29Å; S706-A729 PolarHBondContact N-O 2.89Å; S706-A729 PolarHBondContact OG-N 2.75Å; S706-A729 PolarHBondContact OG-O 3.31Å
707	L	98.5	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-138.5	137.1	-178.1	-173.1	66.2	0	0	0	110.9	F549 P550 V664 F665 R705 L713 Y714 R727	F549-L707 HydrophobicContact CE2-CD1 4.17Å; F549-L707 HydrophobicContact CZ-CD1 4.36Å; P550-L707 HydrophobicContact CG-CD1 4.32Å; P550-L707 HydrophobicContact CG-CD2 3.82Å; V664-L707 HydrophobicContact CG1-CD1 3.79Å; F665-L707 WeakPolarHBondContact O-CD1 3.3Å; R705-L707 VanDerWaalsContact C-N 3.32Å; R705-L707 WeakPolarHBondContact CD-O 3.49Å; R705-L707 WeakPolarHBondContact CG-O 3.16Å; R705-L707 PolarHBondContact O-N 3.36Å; L707-L713 HydrophobicContact CD2-CB 4.32Å; L707-Y714 WeakPolarHBondContact O-CD2 3.13Å; L707-R727 HydrophobicContact CD2-CB 4.04Å; L707-R727 HydrophobicContact CD2-CG 4.1Å
708	S	98.2	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.			trans	-60.4	138.2	179.8	168.8	0	0	0	0	112.4	F665 L697 S710 S711 Y714	F665-S708 WeakPolarHBondContact O-CB 3.5Å; F665-S708 PolarHBondContact O-N 3.05Å; L697-S708 WeakPolarHBondContact CA-OG 3.39Å; L697-S708 WeakPolarHBondContact CD2-OG 3.28Å; L697-S708 WeakPolarHBondContact O-CA 3.45Å; S708-S710 PolarHBondContact O-N 3.03Å; S708-S710 VanDerWaalsContact O-N 3.17Å; S708-S710 PolarHBondContact OG-N 3.04Å; S708-S710 VanDerWaalsContact OG-N 3.16Å; S708-S710 PolarHBondContact OG-OG 3.09Å; S708-S711 WeakPolarHBondContact O-CB 3.31Å; S708-S711 PolarHBondContact O-N 3.32Å; S708-Y714 WeakPolarHBondContact O-CB 3.31Å
709	K	97.6	Very high	97	Very high	79 Å²	79	43.4 Å²	43.4	34%	0.343	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.8	172.4	-62	-179.5	-179.5	160.2	0	113.3	P695 E696 L697 S711 Y714	P695-K709 WeakPolarHBondContact O-CE 3.46Å; P695-K709 PolarHBondContact O-NZ 3.46Å; E696-K709 WeakPolarHBondContact O-CB 3.46Å; L697-K709 PolarHBondContact O-N 2.92Å; K709-S711 PolarHBondContact O-N 3.28Å; K709-Y714 HydrophobicContact CB-CD1 4.38Å; K709-Y714 HydrophobicContact CB-CE1 4.41Å; K709-Y714 HydrophobicContact CG-CD1 4.45Å; K709-Y714 HydrophobicContact CG-CE1 4.03Å; K709-Y714 HydrophobicContact CG-CE2 4.27Å
710	S	95.7	Very high	96.6	Very high	77 Å²	77	44.7 Å²	44.7	54%	0.538	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.6	176.6	74	0	0	0	0	113.8	L697 S708	L697-S710 WeakPolarHBondContact CD2-OG 3.37Å; S708-S710 PolarHBondContact O-N 3.03Å; S708-S710 VanDerWaalsContact O-N 3.17Å; S708-S710 PolarHBondContact OG-N 3.04Å; S708-S710 VanDerWaalsContact OG-N 3.16Å; S708-S710 PolarHBondContact OG-OG 3.09Å
711	S	95.5	Very high	96.2	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.042	24%	0.24	C	C	.	.	S	Bend	trans	-71.2	134.5	175.1	-178.6	0	0	0	0	110.5	S708 K709 L713 Y714	S708-S711 WeakPolarHBondContact O-CB 3.31Å; S708-S711 PolarHBondContact O-N 3.32Å; K709-S711 PolarHBondContact O-N 3.28Å; S711-L713 PolarHBondContact O-N 2.84Å; S711-L713 PolarHBondContact OG-N 3.23Å; S711-Y714 VanDerWaalsContact O-CB 3.28Å; S711-Y714 WeakPolarHBondContact O-CB 3.46Å; S711-Y714 PolarHBondContact O-N 2.82Å; S711-Y714 VanDerWaalsContact O-N 3.08Å
712	R	94	Very high	95.8	Very high	154 Å²	154	49.2 Å²	49.2	58%	0.581	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	177.5	-69.2	-178.1	173.2	177.9	-2.4	114	G624 K716	G624-R712 VanDerWaalsContact O-CD 3.31Å; G624-R712 WeakPolarHBondContact O-CD 3.43Å; G624-R712 PolarHBondContact O-NH1 3.47Å; R712-K716 WeakPolarHBondContact O-CG 3.38Å
713	L	95.5	Very high	95.5	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.089	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	5.2	-176.9	-61.2	177.4	0	0	0	113	L537 N538 P550 L707 S711 M715 K716	L537-L713 HydrophobicContact CD1-CD2 4.43Å; L537-L713 HydrophobicContact CD2-CD2 3.43Å; L537-L713 VanDerWaalsContact CD2-CD2 3.43Å; L537-L713 HydrophobicContact CG-CD2 3.77Å; N538-L713 HydrophobicContact CB-CD1 4.38Å; P550-L713 HydrophobicContact CB-CB 4.45Å; P550-L713 HydrophobicContact CB-CD1 3.56Å; P550-L713 HydrophobicContact CG-CB 3.75Å; P550-L713 HydrophobicContact CG-CD1 3.74Å; P550-L713 HydrophobicContact CG-CG 4.38Å; L707-L713 HydrophobicContact CD2-CB 4.32Å; S711-L713 PolarHBondContact O-N 2.84Å; S711-L713 PolarHBondContact OG-N 3.23Å; L713-M715 PolarHBondContact O-N 2.97Å; L713-K716 PolarHBondContact O-N 3.18Å
714	Y	97.4	Very high	95.3	Very high	44 Å²	44	52.2 Å²	52.2	17%	0.173	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	126.3	171.8	175.1	-108.3	0	0	0	111.3	R705 L707 S708 K709 S711 K716 R727 D787	R705-Y714 PolarHBondContact NH1-OH 2.88Å; L707-Y714 WeakPolarHBondContact O-CD2 3.13Å; S708-Y714 WeakPolarHBondContact O-CB 3.31Å; K709-Y714 HydrophobicContact CB-CD1 4.38Å; K709-Y714 HydrophobicContact CB-CE1 4.41Å; K709-Y714 HydrophobicContact CG-CD1 4.45Å; K709-Y714 HydrophobicContact CG-CE1 4.03Å; K709-Y714 HydrophobicContact CG-CE2 4.27Å; S711-Y714 VanDerWaalsContact O-CB 3.28Å; S711-Y714 WeakPolarHBondContact O-CB 3.46Å; S711-Y714 PolarHBondContact O-N 2.82Å; S711-Y714 VanDerWaalsContact O-N 3.08Å; Y714-K716 PolarHBondContact O-N 3.44Å; Y714-R727 WeakPolarHBondContact CD2-O 3.48Å; Y714-D787 VanDerWaalsContact CE2-OD2 3.22Å; Y714-D787 WeakPolarHBondContact CE2-OD2 3.36Å; Y714-D787 VanDerWaalsContact CZ-OD2 3.3Å; Y714-D787 PolarHBondContact OH-OD2 3.15Å
715	M	96.6	Very high	95.1	Very high	82 Å²	82	55.2 Å²	55.2	40%	0.404	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	21.8	-177.4	-62.5	-60.8	-76	0	0	114.9	L713 P724 R727	L713-M715 PolarHBondContact O-N 2.97Å; M715-P724 HydrophobicContact CE-CG 4.16Å; M715-P724 HydrophobicContact SD-CB 4.47Å; M715-P724 HydrophobicContact SD-CG 4.21Å; M715-R727 PolarHBondContact N-O 2.87Å
716	K	95.5	Very high	95.1	Very high	115 Å²	115	54.9 Å²	54.9	50%	0.5	26%	0.261	S	S	.	.			trans	-89.8	129.1	175.8	-64.3	-58.5	-176.3	-177.6	0	110.8	L537 R712 L713 Y714 R727	L537-K716 HydrophobicContact CD2-CB 4.05Å; R712-K716 WeakPolarHBondContact O-CG 3.38Å; L713-K716 PolarHBondContact O-N 3.18Å; Y714-K716 PolarHBondContact O-N 3.44Å; K716-R727 VanDerWaalsContact O-CD 3.32Å; K716-R727 WeakPolarHBondContact O-CD 3.46Å; K716-R727 PolarHBondContact O-NH1 3.27Å
717	R	95.3	Very high	95.1	Very high	124 Å²	124	54.9 Å²	54.9	47%	0.468	26%	0.261	S	S	.	.			trans	-52.8	141.8	168.4	-65.5	-176.8	164	-88	-7.1	110.7	T719 E720 H721 D722	R717-T719 VanDerWaalsContact CB-O 3.24Å; R717-T719 WeakPolarHBondContact CB-O 3.41Å; R717-E720 PolarHBondContact NH1-O 2.84Å; R717-H721 PolarHBondContact NH1-O 2.9Å; R717-H721 VanDerWaalsContact NH1-O 3.1Å; R717-D722 WeakPolarHBondContact CA-O 3.29Å; R717-D722 VanDerWaalsContact CB-O 3.3Å; R717-D722 WeakPolarHBondContact CB-O 3.12Å
718	N	95.6	Very high	95	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.261	C	S	.	.	S	Bend	trans	-85.5	-33.8	177.7	-161.8	45.7	0	0	0	112.4	E536 L537 N538 D548 D722 R727	E536-N718 CarbonylContact C-O 3.56Å; E536-N718 WeakPolarHBondContact CA-O 3.27Å; L537-N718 PolarHBondContact N-O 3.46Å; N538-N718 PolarHBondContact N-OD1 3.1Å; N538-N718 VanDerWaalsContact N-OD1 3.08Å; N538-N718 PolarHBondContact O-ND2 3.07Å; N538-N718 PolarHBondContact O-OD1 3.08Å; D548-N718 HydrophobicContact CB-CB 4.48Å; N718-D722 PolarHBondContact N-O 3.24Å; N718-R727 PolarHBondContact OD1-NH1 3.07Å; N718-R727 PolarHBondContact OD1-NH2 2.85Å
719	T	93.4	Very high	95	Very high	21 Å²	21	55.3 Å²	55.3	13%	0.129	27%	0.265	C	S	.	.	S	Bend	trans	-126.5	-173.2	170.8	69.4	0	0	0	0	108.2	E536 R717 H721 D722	E536-T719 HydrophobicContact CG-CG2 4Å; R717-T719 VanDerWaalsContact CB-O 3.24Å; R717-T719 WeakPolarHBondContact CB-O 3.41Å; T719-H721 VanDerWaalsContact C-N 3.29Å; T719-H721 PolarHBondContact O-N 3.01Å; T719-H721 PolarHBondContact OG1-N 2.81Å; T719-D722 HydrophobicContact CG2-CB 4.35Å; T719-D722 WeakPolarHBondContact CG2-OD2 3.47Å; T719-D722 VanDerWaalsContact OG1-CB 3.24Å; T719-D722 WeakPolarHBondContact OG1-CB 3.19Å; T719-D722 PolarHBondContact OG1-N 3.36Å; T719-D722 PolarHBondContact OG1-OD1 2.76Å; T719-D722 PolarHBondContact OG1-OD2 2.97Å
720	E	89.3	Confident	95.1	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	25%	0.248	S	C	.	.	S	Bend	trans	-58	-44.6	169.4	-171.3	176	162.5	0	0	111.9	F648 R717	F648-E720 HydrophobicContact CB-CB 4.17Å; F648-E720 HydrophobicContact CD2-CB 4.19Å; F648-E720 HydrophobicContact CD2-CG 3.69Å; F648-E720 WeakPolarHBondContact CD2-OE2 3.26Å; F648-E720 HydrophobicContact CE2-CG 4.24Å; F648-E720 HydrophobicContact CG-CB 4.42Å; F648-E720 HydrophobicContact CG-CG 4.36Å; R717-E720 PolarHBondContact NH1-O 2.84Å
721	H	90.1	Very high	95.2	Very high	137 Å²	137	47.9 Å²	47.9	63%	0.634	22%	0.223	S	C	*	.	S	Bend	trans	-97.6	-25.4	-169.6	-54.8	-47.1	0	0	0	113.3	R717 T719 P723	R717-H721 PolarHBondContact NH1-O 2.9Å; R717-H721 VanDerWaalsContact NH1-O 3.1Å; T719-H721 VanDerWaalsContact C-N 3.29Å; T719-H721 PolarHBondContact O-N 3.01Å; T719-H721 PolarHBondContact OG1-N 2.81Å; H721-P723 WeakPolarHBondContact O-CD 3.29Å
722	D	90.6	Very high	95.3	Very high	51 Å²	51	47.7 Å²	47.7	27%	0.273	22%	0.221	S	C	.	.			trans	-79.6	111.3	-177.4	-65.9	-6.8	0	0	0	111	K540 R717 N718 T719	K540-D722 WeakPolarHBondContact CE-OD2 3.11Å; K540-D722 IonicContact NZ-OD2 2.99Å; K540-D722 PolarHBondContact NZ-OD2 3.18Å; R717-D722 WeakPolarHBondContact CA-O 3.29Å; R717-D722 VanDerWaalsContact CB-O 3.3Å; R717-D722 WeakPolarHBondContact CB-O 3.12Å; N718-D722 PolarHBondContact N-O 3.24Å; T719-D722 HydrophobicContact CG2-CB 4.35Å; T719-D722 WeakPolarHBondContact CG2-OD2 3.47Å; T719-D722 VanDerWaalsContact OG1-CB 3.24Å; T719-D722 WeakPolarHBondContact OG1-CB 3.19Å; T719-D722 PolarHBondContact OG1-N 3.36Å; T719-D722 PolarHBondContact OG1-OD1 2.76Å; T719-D722 PolarHBondContact OG1-OD2 2.97Å
723	P	92.8	Very high	95.5	Very high	81 Å²	81	40.3 Å²	40.3	53%	0.526	19%	0.193	S	C	.	.			trans	-64.5	160.4	171.5	30.4	-34.9	0	0	0	111.2	H721 Y725	H721-P723 WeakPolarHBondContact O-CD 3.29Å; P723-Y725 PolarHBondContact O-N 3.11Å
724	P	94.3	Very high	95.7	Very high	34 Å²	34	39.5 Å²	39.5	22%	0.221	19%	0.189	C	C	.	.			trans	-58.6	133.6	171.8	26	-34.3	0	0	0	110.7	M715 R727	M715-P724 HydrophobicContact CE-CG 4.16Å; M715-P724 HydrophobicContact SD-CB 4.47Å; M715-P724 HydrophobicContact SD-CG 4.21Å; P724-R727 HydrophobicContact CB-CB 3.88Å
725	Y	95.1	Very high	95.8	Very high	63 Å²	63	37.4 Å²	37.4	25%	0.247	18%	0.181	C	C	.	.	S	Bend	trans	-113.3	-72	-178.2	-162.8	-136.1	0	0	0	110.9	D547 D548 P723 R727 W731 E783	D547-Y725 HydrophobicContact CB-CD1 4.3Å; D548-Y725 WeakPolarHBondContact OD1-CB 3.42Å; D548-Y725 PolarHBondContact OD2-N 2.86Å; P723-Y725 PolarHBondContact O-N 3.11Å; Y725-R727 VanDerWaalsContact C-N 3.28Å; Y725-R727 PolarHBondContact O-N 2.85Å; Y725-W731 AromaticContact CD2-CH2 3.94Å; Y725-W731 HydrophobicContact CD2-CH2 3.94Å; Y725-W731 AromaticContact CD2-CZ2 3.96Å; Y725-W731 HydrophobicContact CD2-CZ2 3.96Å; Y725-W731 HydrophobicContact CE1-CH2 4.15Å; Y725-W731 AromaticContact CE2-CH2 3.48Å; Y725-W731 HydrophobicContact CE2-CH2 3.48Å; Y725-W731 VanDerWaalsContact CE2-CH2 3.48Å; Y725-W731 AromaticContact CE2-CZ2 4Å; Y725-W731 HydrophobicContact CE2-CZ2 4Å; Y725-W731 HydrophobicContact CG-CH2 4.44Å; Y725-W731 HydrophobicContact CG-CZ2 4.27Å; Y725-W731 AromaticContact CZ-CH2 3.58Å; Y725-W731 WeakPolarHBondContact O-CZ2 3.22Å; Y725-W731 PolarHBondContact O-NE1 2.9Å; Y725-E783 PolarHBondContact OH-OE1 2.92Å
726	W	97.8	Very high	95.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	34.5	173.8	-61.6	90.8	0	0	0	112.6	W411 G545 L546 D548 F549 Y667 W731 M734	W411-W726 HydrophobicContact CH2-CH2 4.14Å; W411-W726 AromaticContact CZ2-CH2 3.92Å; W411-W726 HydrophobicContact CZ2-CH2 3.92Å; W411-W726 HydrophobicContact CZ2-CZ2 4.2Å; G545-W726 WeakPolarHBondContact O-CZ2 3.28Å; G545-W726 PolarHBondContact O-NE1 3.48Å; L546-W726 HydrophobicContact CB-CD2 4.41Å; L546-W726 HydrophobicContact CB-CG 4.41Å; L546-W726 HydrophobicContact CD2-CD2 3.7Å; L546-W726 HydrophobicContact CD2-CE3 3.28Å; L546-W726 HydrophobicContact CD2-CG 4.48Å; L546-W726 HydrophobicContact CD2-CH2 3.83Å; L546-W726 HydrophobicContact CD2-CZ2 4.21Å; L546-W726 HydrophobicContact CD2-CZ3 3.35Å; D548-W726 WeakPolarHBondContact OD1-CA 3.31Å; D548-W726 WeakPolarHBondContact OD1-CB 3.34Å; D548-W726 PolarHBondContact OD1-N 2.9Å; F549-W726 HydrophobicContact CB-CB 4.18Å; Y667-W726 HydrophobicContact CD2-CE3 4.27Å; Y667-W726 HydrophobicContact CD2-CZ3 4.34Å; Y667-W726 HydrophobicContact CE2-CE3 4.32Å; Y667-W726 HydrophobicContact CE2-CZ3 4.26Å; W726-W731 HydrophobicContact CD2-CD2 4.31Å; W726-W731 AromaticContact CD2-CE2 3.87Å; W726-W731 HydrophobicContact CD2-CZ2 4.09Å; W726-W731 AromaticContact CE3-CD1 3.66Å; W726-W731 AromaticContact CE3-CD2 3.77Å; W726-W731 HydrophobicContact CE3-CD2 3.77Å; W726-W731 AromaticContact CE3-CE2 3.66Å; W726-W731 AromaticContact CE3-CG 3.78Å; W726-W731 HydrophobicContact CE3-CG 3.78Å; W726-W731 HydrophobicContact CE3-CZ2 4.34Å; W726-W731 AromaticContact CE3-NE1 3.54Å; W726-W731 HydrophobicContact CH2-CB 4.34Å; W726-W731 AromaticContact CH2-CD2 3.53Å; W726-W731 HydrophobicContact CH2-CD2 3.53Å; W726-W731 AromaticContact CH2-CE3 3.49Å; W726-W731 HydrophobicContact CH2-CE3 3.49Å; W726-W731 VanDerWaalsContact CH2-CE3 3.49Å; W726-W731 AromaticContact CH2-CG 3.93Å; W726-W731 HydrophobicContact CH2-CG 3.93Å; W726-W731 HydrophobicContact CH2-CZ3 4.02Å; W726-W731 HydrophobicContact CZ2-CD2 4.05Å; W726-W731 AromaticContact CZ2-CE3 3.86Å; W726-W731 HydrophobicContact CZ2-CE3 3.86Å; W726-W731 HydrophobicContact CZ2-CH2 4.12Å; W726-W731 HydrophobicContact CZ2-CZ2 4.3Å; W726-W731 AromaticContact CZ2-CZ3 3.88Å; W726-W731 HydrophobicContact CZ2-CZ3 3.88Å; W726-W731 HydrophobicContact CZ3-CB 3.79Å; W726-W731 AromaticContact CZ3-CD1 3.69Å; W726-W731 AromaticContact CZ3-CD2 3.36Å; W726-W731 HydrophobicContact CZ3-CD2 3.36Å; W726-W731 AromaticContact CZ3-CE2 3.78Å; W726-W731 AromaticContact CZ3-CE3 3.86Å; W726-W731 HydrophobicContact CZ3-CE3 3.86Å; W726-W731 AromaticContact CZ3-CG 3.32Å; W726-W731 HydrophobicContact CZ3-CG 3.32Å; W726-W731 AromaticContact CZ3-NE1 3.92Å; W726-M734 HydrophobicContact CZ3-CG 4.21Å
727	R	97.4	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	20.6	-171.7	-68.2	-176.1	177	-179.8	5.8	114.9	D548 P550 S706 L707 Y714 M715 K716 N718 P724 Y725	D548-R727 PolarHBondContact O-NE 2.9Å; D548-R727 PolarHBondContact O-NH2 2.92Å; D548-R727 WeakPolarHBondContact OD2-CD 3.33Å; D548-R727 IonicContact OD2-CZ 3.64Å; D548-R727 IonicContact OD2-NE 3.6Å; D548-R727 PolarHBondContact OD2-NE 2.85Å; P550-R727 HydrophobicContact CG-CG 4.49Å; S706-R727 PolarHBondContact OG-N 2.78Å; L707-R727 HydrophobicContact CD2-CB 4.04Å; L707-R727 HydrophobicContact CD2-CG 4.1Å; Y714-R727 WeakPolarHBondContact CD2-O 3.48Å; M715-R727 PolarHBondContact N-O 2.87Å; K716-R727 VanDerWaalsContact O-CD 3.32Å; K716-R727 WeakPolarHBondContact O-CD 3.46Å; K716-R727 PolarHBondContact O-NH1 3.27Å; N718-R727 PolarHBondContact OD1-NH1 3.07Å; N718-R727 PolarHBondContact OD1-NH2 2.85Å; P724-R727 HydrophobicContact CB-CB 3.88Å; Y725-R727 VanDerWaalsContact C-N 3.28Å; Y725-R727 PolarHBondContact O-N 2.85Å
728	G	97.4	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	165.9	-34.4	177.5	0	0	0	0	0	113	R705 S706 D787	R705-G728 WeakPolarHBondContact CB-O 3.17Å; S706-G728 VanDerWaalsContact OG-C 3.3Å; S706-G728 WeakPolarHBondContact OG-CA 3.43Å; S706-G728 PolarHBondContact OG-N 3.32Å; G728-D787 WeakPolarHBondContact O-CB 3.24Å; G728-D787 VanDerWaalsContact O-CG 3.24Å
729	A	98.2	Very high	96.3	Very high	9 Å²	9	22.1 Å²	22.1	7%	0.074	12%	0.115	C	C	.	.			trans	-58.8	155.1	-179.6	0	0	0	0	0	113.5	S706 H784	S706-A729 VanDerWaalsContact CB-O 3.25Å; S706-A729 WeakPolarHBondContact CB-O 3.29Å; S706-A729 PolarHBondContact N-O 2.89Å; S706-A729 PolarHBondContact OG-N 2.75Å; S706-A729 PolarHBondContact OG-O 3.31Å; A729-H784 HydrophobicContact CB-CB 4.1Å; A729-H784 VanDerWaalsContact CB-CD2 3.45Å; A729-H784 WeakPolarHBondContact CB-CD2 3.4Å
730	V	98.7	Very high	96.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-93.6	118	175.2	178	0	0	0	0	109.1	T700 Y785 D787	T700-V730 HydrophobicContact CG2-CG2 4.27Å; V730-Y785 PolarHBondContact N-O 2.97Å; V730-Y785 PolarHBondContact O-N 2.87Å; V730-D787 HydrophobicContact CG2-CB 4.03Å
731	W	98.6	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.			trans	-111.6	130.3	-175.5	-61.3	80	0	0	0	112	Y667 Y725 W726 N733 M734 N735 E783 H784 W801	Y667-W731 HydrophobicContact CE2-CB 3.91Å; Y667-W731 AromaticContact CE2-CD1 3.73Å; Y667-W731 HydrophobicContact CE2-CG 4.11Å; Y667-W731 PolarHBondContact OH-N 2.92Å; Y725-W731 AromaticContact CD2-CH2 3.94Å; Y725-W731 HydrophobicContact CD2-CH2 3.94Å; Y725-W731 AromaticContact CD2-CZ2 3.96Å; Y725-W731 HydrophobicContact CD2-CZ2 3.96Å; Y725-W731 HydrophobicContact CE1-CH2 4.15Å; Y725-W731 AromaticContact CE2-CH2 3.48Å; Y725-W731 HydrophobicContact CE2-CH2 3.48Å; Y725-W731 VanDerWaalsContact CE2-CH2 3.48Å; Y725-W731 AromaticContact CE2-CZ2 4Å; Y725-W731 HydrophobicContact CE2-CZ2 4Å; Y725-W731 HydrophobicContact CG-CH2 4.44Å; Y725-W731 HydrophobicContact CG-CZ2 4.27Å; Y725-W731 AromaticContact CZ-CH2 3.58Å; Y725-W731 WeakPolarHBondContact O-CZ2 3.22Å; Y725-W731 PolarHBondContact O-NE1 2.9Å; W726-W731 HydrophobicContact CD2-CD2 4.31Å; W726-W731 AromaticContact CD2-CE2 3.87Å; W726-W731 HydrophobicContact CD2-CZ2 4.09Å; W726-W731 AromaticContact CE3-CD1 3.66Å; W726-W731 AromaticContact CE3-CD2 3.77Å; W726-W731 HydrophobicContact CE3-CD2 3.77Å; W726-W731 AromaticContact CE3-CE2 3.66Å; W726-W731 AromaticContact CE3-CG 3.78Å; W726-W731 HydrophobicContact CE3-CG 3.78Å; W726-W731 HydrophobicContact CE3-CZ2 4.34Å; W726-W731 AromaticContact CE3-NE1 3.54Å; W726-W731 HydrophobicContact CH2-CB 4.34Å; W726-W731 AromaticContact CH2-CD2 3.53Å; W726-W731 HydrophobicContact CH2-CD2 3.53Å; W726-W731 AromaticContact CH2-CE3 3.49Å; W726-W731 HydrophobicContact CH2-CE3 3.49Å; W726-W731 VanDerWaalsContact CH2-CE3 3.49Å; W726-W731 AromaticContact CH2-CG 3.93Å; W726-W731 HydrophobicContact CH2-CG 3.93Å; W726-W731 HydrophobicContact CH2-CZ3 4.02Å; W726-W731 HydrophobicContact CZ2-CD2 4.05Å; W726-W731 AromaticContact CZ2-CE3 3.86Å; W726-W731 HydrophobicContact CZ2-CE3 3.86Å; W726-W731 HydrophobicContact CZ2-CH2 4.12Å; W726-W731 HydrophobicContact CZ2-CZ2 4.3Å; W726-W731 AromaticContact CZ2-CZ3 3.88Å; W726-W731 HydrophobicContact CZ2-CZ3 3.88Å; W726-W731 HydrophobicContact CZ3-CB 3.79Å; W726-W731 AromaticContact CZ3-CD1 3.69Å; W726-W731 AromaticContact CZ3-CD2 3.36Å; W726-W731 HydrophobicContact CZ3-CD2 3.36Å; W726-W731 AromaticContact CZ3-CE2 3.78Å; W726-W731 AromaticContact CZ3-CE3 3.86Å; W726-W731 HydrophobicContact CZ3-CE3 3.86Å; W726-W731 AromaticContact CZ3-CG 3.32Å; W726-W731 HydrophobicContact CZ3-CG 3.32Å; W726-W731 AromaticContact CZ3-NE1 3.92Å; W731-N733 VanDerWaalsContact CB-OD1 3.27Å; W731-N733 WeakPolarHBondContact CB-OD1 3.35Å; W731-M734 PolarHBondContact O-N 3.47Å; W731-N735 PolarHBondContact O-N 2.83Å; W731-N735 PolarHBondContact O-ND2 3.5Å; W731-E783 HydrophobicContact CH2-CG 4.26Å; W731-E783 HydrophobicContact CZ3-CG 3.79Å; W731-H784 HydrophobicContact CD2-CB 3.76Å; W731-H784 HydrophobicContact CE3-CB 3.84Å; W731-H784 HydrophobicContact CG-CB 4.32Å; W731-H784 HydrophobicContact CH2-CB 4.09Å; W731-H784 AromaticContact CH2-CG 3.92Å; W731-H784 AromaticContact CH2-ND1 3.35Å; W731-H784 WeakPolarHBondContact CH2-ND1 3.19Å; W731-H784 HydrophobicContact CZ2-CB 4.03Å; W731-H784 AromaticContact CZ2-CG 3.86Å; W731-H784 AromaticContact CZ2-ND1 3.66Å; W731-H784 HydrophobicContact CZ3-CB 4.01Å; W731-H784 AromaticContact CZ3-ND1 3.85Å; W731-W801 AromaticContact CE3-CZ2 3.87Å; W731-W801 HydrophobicContact CE3-CZ2 3.87Å; W731-W801 AromaticContact CE3-NE1 3.99Å; W731-W801 HydrophobicContact CZ3-CH2 4.33Å; W731-W801 AromaticContact CZ3-CZ2 3.54Å; W731-W801 HydrophobicContact CZ3-CZ2 3.54Å
732	I	98.7	Very high	97.4	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-75.2	-36.6	-167.6	-55.6	-54.7	0	0	0	113	M734 N735 Y736 V767 V771 Y785 T802 L804 M808	I732-M734 VanDerWaalsContact C-N 3.35Å; I732-M734 PolarHBondContact O-N 2.96Å; I732-N735 PolarHBondContact O-N 3.33Å; I732-Y736 WeakPolarHBondContact O-CB 3.29Å; I732-Y736 PolarHBondContact O-N 3.05Å; I732-V767 HydrophobicContact CD1-CG1 3.78Å; I732-V771 HydrophobicContact CD1-CG2 3.64Å; I732-V771 HydrophobicContact CG1-CG2 4.26Å; I732-Y785 HydrophobicContact CD1-CD2 3.8Å; I732-Y785 HydrophobicContact CD1-CE2 3.7Å; I732-Y785 HydrophobicContact CG1-CD2 4.1Å; I732-Y785 HydrophobicContact CG1-CE2 3.68Å; I732-T802 HydrophobicContact CG1-CG2 4.18Å; I732-L804 HydrophobicContact CG2-CB 4.37Å; I732-M808 HydrophobicContact CG2-CE 3.54Å; I732-M808 WeakPolarHBondContact O-CE 3.41Å
733	N	98.1	Very high	97.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-52.4	-48.7	168.3	42	12.4	0	0	0	113.1	W411 F415 W731 Y736 M737 W801 L804	W411-N733 HydrophobicContact CH2-CB 4.36Å; W411-N733 WeakPolarHBondContact CH2-ND2 3.46Å; W411-N733 WeakPolarHBondContact CZ2-ND2 3.36Å; F415-N733 HydrophobicContact CD1-CB 3.56Å; F415-N733 HydrophobicContact CD2-CB 4.32Å; F415-N733 HydrophobicContact CE1-CB 3.59Å; F415-N733 HydrophobicContact CE2-CB 4.4Å; F415-N733 HydrophobicContact CG-CB 3.94Å; F415-N733 HydrophobicContact CZ-CB 4.04Å; W731-N733 VanDerWaalsContact CB-OD1 3.27Å; W731-N733 WeakPolarHBondContact CB-OD1 3.35Å; N733-Y736 WeakPolarHBondContact O-CB 3.26Å; N733-Y736 PolarHBondContact O-N 2.9Å; N733-M737 WeakPolarHBondContact O-CG 3.45Å; N733-M737 PolarHBondContact O-N 3.21Å; N733-W801 HydrophobicContact CB-CB 3.67Å; N733-W801 HydrophobicContact CB-CD2 4.46Å; N733-W801 HydrophobicContact CB-CG 3.93Å; N733-W801 VanDerWaalsContact ND2-CD2 3.25Å; N733-L804 HydrophobicContact CB-CD1 4.42Å
734	M	98.7	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-73.4	-37.8	-176.5	-67.4	-65.9	113.3	0	0	111	W411 F415 Y667 F671 F674 W726 W731 I732 Y736 M737 A738	W411-M734 HydrophobicContact CH2-CE 3.66Å; W411-M734 HydrophobicContact CZ3-CE 3.64Å; F415-M734 HydrophobicContact CE1-CE 4.32Å; F415-M734 HydrophobicContact CE2-CE 4.37Å; F415-M734 HydrophobicContact CZ-CE 3.65Å; Y667-M734 HydrophobicContact CD1-CB 4Å; Y667-M734 HydrophobicContact CD2-CB 3.61Å; Y667-M734 HydrophobicContact CD2-CG 3.42Å; Y667-M734 VanDerWaalsContact CD2-CG 3.42Å; Y667-M734 HydrophobicContact CD2-SD 4.35Å; Y667-M734 HydrophobicContact CE1-CB 3.93Å; Y667-M734 HydrophobicContact CE2-CB 3.47Å; Y667-M734 VanDerWaalsContact CE2-CB 3.47Å; Y667-M734 HydrophobicContact CE2-CG 3.63Å; Y667-M734 HydrophobicContact CG-CB 3.85Å; Y667-M734 HydrophobicContact CG-CG 3.92Å; Y667-M734 HydrophobicContact CG-SD 4.44Å; F671-M734 HydrophobicContact CE2-SD 4.33Å; F671-M734 HydrophobicContact CZ-CE 4.42Å; F671-M734 HydrophobicContact CZ-SD 4.03Å; F674-M734 HydrophobicContact CD2-SD 4.44Å; F674-M734 HydrophobicContact CE2-SD 3.97Å; W726-M734 HydrophobicContact CZ3-CG 4.21Å; W731-M734 PolarHBondContact O-N 3.47Å; I732-M734 VanDerWaalsContact C-N 3.35Å; I732-M734 PolarHBondContact O-N 2.96Å; M734-Y736 VanDerWaalsContact C-N 3.32Å; M734-Y736 PolarHBondContact O-N 2.95Å; M734-M737 HydrophobicContact CE-SD 3.76Å; M734-M737 PolarHBondContact O-N 3.49Å; M734-M737 HydrophobicContact SD-SD 4.44Å; M734-A738 PolarHBondContact O-N 3.39Å
735	N	98.8	Very high	98.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.2	-35	171.4	-81.6	-86.9	0	0	0	112.1	Y667 L704 W731 I732 A738 L739 V767	Y667-N735 PolarHBondContact OH-ND2 2.97Å; L704-N735 PolarHBondContact N-OD1 2.99Å; L704-N735 PolarHBondContact O-ND2 3.37Å; L704-N735 VanDerWaalsContact O-ND2 3.16Å; W731-N735 PolarHBondContact O-N 2.83Å; W731-N735 PolarHBondContact O-ND2 3.5Å; I732-N735 PolarHBondContact O-N 3.33Å; N735-A738 WeakPolarHBondContact O-CB 3.45Å; N735-A738 PolarHBondContact O-N 3Å; N735-L739 WeakPolarHBondContact O-CB 3.33Å; N735-L739 VanDerWaalsContact O-CG 3.27Å; N735-L739 WeakPolarHBondContact O-CG 3.33Å; N735-L739 PolarHBondContact O-N 2.81Å; N735-V767 HydrophobicContact CB-CG2 3.98Å
736	Y	98.7	Very high	98.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.9	-46.7	171.5	175.2	-93.3	0	0	0	111.4	L418 Y478 I732 N733 M734 A738 L739 S740 L804 L807 M808 L812 Y813 E814	L418-Y736 HydrophobicContact CD1-CD1 3.98Å; L418-Y736 HydrophobicContact CD1-CE1 3.65Å; Y478-Y736 HydrophobicContact CE1-CE1 4.32Å; I732-Y736 WeakPolarHBondContact O-CB 3.29Å; I732-Y736 PolarHBondContact O-N 3.05Å; N733-Y736 WeakPolarHBondContact O-CB 3.26Å; N733-Y736 PolarHBondContact O-N 2.9Å; M734-Y736 VanDerWaalsContact C-N 3.32Å; M734-Y736 PolarHBondContact O-N 2.95Å; Y736-A738 VanDerWaalsContact C-N 3.3Å; Y736-A738 PolarHBondContact O-N 2.84Å; Y736-L739 PolarHBondContact O-N 3.34Å; Y736-S740 WeakPolarHBondContact O-CB 3.31Å; Y736-S740 PolarHBondContact O-N 2.82Å; Y736-L804 HydrophobicContact CD1-CD1 4.25Å; Y736-L804 HydrophobicContact CD2-CB 4.04Å; Y736-L804 HydrophobicContact CD2-CD2 4.43Å; Y736-L804 HydrophobicContact CG-CB 4.19Å; Y736-L804 HydrophobicContact CG-CD1 4Å; Y736-L804 HydrophobicContact CG-CD2 4.48Å; Y736-L804 HydrophobicContact CG-CG 4.46Å; Y736-L807 HydrophobicContact CD2-CB 4.38Å; Y736-L807 HydrophobicContact CE2-CB 3.7Å; Y736-L807 HydrophobicContact CE2-CD1 3.77Å; Y736-L807 HydrophobicContact CE2-CG 4.42Å; Y736-M808 HydrophobicContact CD2-CE 4.34Å; Y736-M808 HydrophobicContact CD2-CG 4.25Å; Y736-M808 HydrophobicContact CG-CE 4.47Å; Y736-L812 PolarHBondContact OH-O 3.43Å; Y736-Y813 HydrophobicContact CD2-CD1 4.25Å; Y736-Y813 HydrophobicContact CD2-CE1 4.26Å; Y736-Y813 AromaticContact CE2-CD1 3.7Å; Y736-Y813 HydrophobicContact CE2-CD1 3.7Å; Y736-Y813 HydrophobicContact CE2-CE1 4.07Å; Y736-E814 HydrophobicContact CE1-CG 4.48Å
737	M	98.6	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-39	176.3	-65.1	-169.9	85.3	0	0	112	F415 W567 F674 L675 N733 M734 S741	F415-M737 HydrophobicContact CE1-CG 3.96Å; F415-M737 HydrophobicContact CE1-SD 4.04Å; F415-M737 HydrophobicContact CZ-CG 4.35Å; F415-M737 HydrophobicContact CZ-SD 3.82Å; W567-M737 HydrophobicContact CH2-CE 3.87Å; W567-M737 HydrophobicContact CZ2-CE 4.17Å; F674-M737 HydrophobicContact CB-CB 3.91Å; F674-M737 HydrophobicContact CB-CE 4.01Å; F674-M737 HydrophobicContact CB-SD 4.48Å; F674-M737 HydrophobicContact CD1-CB 4.22Å; F674-M737 HydrophobicContact CD2-CB 3.96Å; F674-M737 HydrophobicContact CD2-SD 4.29Å; F674-M737 HydrophobicContact CG-CB 3.78Å; L675-M737 HydrophobicContact CD2-CE 3.6Å; L675-M737 HydrophobicContact CG-CE 4.13Å; N733-M737 WeakPolarHBondContact O-CG 3.45Å; N733-M737 PolarHBondContact O-N 3.21Å; M734-M737 HydrophobicContact CE-SD 3.76Å; M734-M737 PolarHBondContact O-N 3.49Å; M734-M737 HydrophobicContact SD-SD 4.44Å; M737-S741 WeakPolarHBondContact O-CB 3.35Å; M737-S741 PolarHBondContact O-N 2.81Å; M737-S741 PolarHBondContact O-OG 2.69Å
738	A	98.8	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.4	-53.6	173.5	0	0	0	0	0	111	F674 M692 L704 M734 N735 Y736 S740 S741 L742 L763	F674-A738 HydrophobicContact CD1-CB 4.29Å; F674-A738 HydrophobicContact CE1-CB 3.58Å; F674-A738 HydrophobicContact CZ-CB 4.26Å; M692-A738 HydrophobicContact CE-CB 4.16Å; L704-A738 HydrophobicContact CD1-CB 3.82Å; M734-A738 PolarHBondContact O-N 3.39Å; N735-A738 WeakPolarHBondContact O-CB 3.45Å; N735-A738 PolarHBondContact O-N 3Å; Y736-A738 VanDerWaalsContact C-N 3.3Å; Y736-A738 PolarHBondContact O-N 2.84Å; A738-S740 PolarHBondContact O-N 2.93Å; A738-S741 PolarHBondContact O-N 2.77Å; A738-S741 PolarHBondContact O-OG 3.41Å; A738-L742 WeakPolarHBondContact O-CB 3.46Å; A738-L742 VanDerWaalsContact O-CG 3.28Å; A738-L742 WeakPolarHBondContact O-CG 3.21Å; A738-L742 PolarHBondContact O-N 2.86Å; A738-L763 HydrophobicContact CB-CD2 4Å
739	L	98.8	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-44.3	178.8	-71.2	172.9	0	0	0	112.5	N735 Y736 S741 L742 H743 Y760 L763 R764 M808 Y813	N735-L739 WeakPolarHBondContact O-CB 3.33Å; N735-L739 VanDerWaalsContact O-CG 3.27Å; N735-L739 WeakPolarHBondContact O-CG 3.33Å; N735-L739 PolarHBondContact O-N 2.81Å; Y736-L739 PolarHBondContact O-N 3.34Å; L739-S741 VanDerWaalsContact C-N 3.32Å; L739-S741 PolarHBondContact O-N 2.67Å; L739-L742 PolarHBondContact O-N 2.78Å; L739-H743 VanDerWaalsContact O-CB 3.24Å; L739-H743 WeakPolarHBondContact O-CB 3.33Å; L739-H743 PolarHBondContact O-N 3.07Å; L739-Y760 HydrophobicContact CD2-CD2 3.9Å; L739-Y760 HydrophobicContact CD2-CE2 4.3Å; L739-L763 HydrophobicContact CD2-CB 3.89Å; L739-L763 HydrophobicContact CD2-CD2 3.94Å; L739-L763 HydrophobicContact CD2-CG 3.82Å; L739-L763 HydrophobicContact CG-CD2 4.22Å; L739-L763 HydrophobicContact CG-CG 4.31Å; L739-R764 HydrophobicContact CD1-CB 4.31Å; L739-R764 HydrophobicContact CD2-CB 3.75Å; L739-M808 HydrophobicContact CD1-CB 4.34Å; L739-M808 HydrophobicContact CD1-CE 4.14Å; L739-M808 HydrophobicContact CD1-CG 3.71Å; L739-M808 HydrophobicContact CD1-SD 3.61Å; L739-Y813 HydrophobicContact CB-CE1 3.84Å
740	S	98.1	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-42.7	175.8	174.3	0	0	0	0	112.1	Y478 R676 Y736 A738 Y744	Y478-S740 PolarHBondContact OH-OG 2.69Å; R676-S740 PolarHBondContact NH2-O 2.61Å; R676-S740 PolarHBondContact NH2-OG 3.03Å; Y736-S740 WeakPolarHBondContact O-CB 3.31Å; Y736-S740 PolarHBondContact O-N 2.82Å; A738-S740 PolarHBondContact O-N 2.93Å; S740-Y744 PolarHBondContact O-N 3.23Å
741	S	98	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.2	-44.1	176.2	67.7	0	0	0	0	112.9	L673 M737 A738 L739 H743 Y744 Y745	L673-S741 WeakPolarHBondContact O-CB 3.3Å; M737-S741 WeakPolarHBondContact O-CB 3.35Å; M737-S741 PolarHBondContact O-N 2.81Å; M737-S741 PolarHBondContact O-OG 2.69Å; A738-S741 PolarHBondContact O-N 2.77Å; A738-S741 PolarHBondContact O-OG 3.41Å; L739-S741 VanDerWaalsContact C-N 3.32Å; L739-S741 PolarHBondContact O-N 2.67Å; S741-H743 PolarHBondContact O-N 2.79Å; S741-Y744 WeakPolarHBondContact O-CB 3.48Å; S741-Y744 PolarHBondContact O-N 3.4Å; S741-Y745 WeakPolarHBondContact O-CD2 3.44Å; S741-Y745 PolarHBondContact O-N 2.78Å
742	L	98.6	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-43	178.4	-69.8	164.2	0	0	0	111.2	F689 M692 A738 L739 Y744 Y745 S746 V759 L763	F689-L742 HydrophobicContact CD1-CD2 3.77Å; F689-L742 HydrophobicContact CE1-CD2 3.47Å; F689-L742 VanDerWaalsContact CE1-CD2 3.47Å; F689-L742 HydrophobicContact CZ-CD2 4.17Å; M692-L742 HydrophobicContact CE-CD1 3.95Å; M692-L742 HydrophobicContact CE-CD2 4.37Å; M692-L742 HydrophobicContact CE-CG 4.33Å; A738-L742 WeakPolarHBondContact O-CB 3.46Å; A738-L742 VanDerWaalsContact O-CG 3.28Å; A738-L742 WeakPolarHBondContact O-CG 3.21Å; A738-L742 PolarHBondContact O-N 2.86Å; L739-L742 PolarHBondContact O-N 2.78Å; L742-Y744 VanDerWaalsContact C-N 3.34Å; L742-Y744 PolarHBondContact O-N 2.95Å; L742-Y745 PolarHBondContact O-N 3.45Å; L742-S746 WeakPolarHBondContact O-CB 2.97Å; L742-S746 PolarHBondContact O-N 3.26Å; L742-V759 HydrophobicContact CD1-CB 4.42Å; L742-V759 HydrophobicContact CD1-CG1 3.75Å; L742-V759 HydrophobicContact CD2-CB 4.09Å; L742-V759 HydrophobicContact CD2-CG1 3.93Å; L742-L763 HydrophobicContact CD1-CD2 3.92Å
743	H	97.9	Very high	96.8	Very high	46 Å²	46	34 Å²	34	21%	0.213	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-47.5	174.4	-174	76.9	0	0	0	110.9	L739 S741 Y745 S746 Q747 Y760 Y813	L739-H743 VanDerWaalsContact O-CB 3.24Å; L739-H743 WeakPolarHBondContact O-CB 3.33Å; L739-H743 PolarHBondContact O-N 3.07Å; S741-H743 PolarHBondContact O-N 2.79Å; H743-Y745 PolarHBondContact O-N 3.25Å; H743-S746 WeakPolarHBondContact CA-OG 3.24Å; H743-S746 WeakPolarHBondContact O-CB 3.37Å; H743-S746 PolarHBondContact O-N 2.88Å; H743-S746 VanDerWaalsContact O-N 3.14Å; H743-S746 PolarHBondContact O-OG 2.87Å; H743-Q747 WeakPolarHBondContact O-CG 3.33Å; H743-Q747 PolarHBondContact O-N 3.17Å; H743-Y760 HydrophobicContact CB-CD2 3.95Å; H743-Y760 HydrophobicContact CB-CE2 3.84Å; H743-Y760 AromaticContact ND1-CE1 3.92Å; H743-Y760 AromaticContact ND1-CE2 3.96Å; H743-Y760 AromaticContact ND1-CZ 3.62Å; H743-Y813 HydrophobicContact CB-CD2 3.83Å; H743-Y813 HydrophobicContact CB-CE2 4.04Å; H743-Y813 AromaticContact CD2-CD2 3.76Å; H743-Y813 AromaticContact CG-CD2 3.66Å; H743-Y813 AromaticContact CG-CE2 3.93Å
744	Y	96.7	Very high	96.8	Very high	71 Å²	71	39.6 Å²	39.6	28%	0.278	19%	0.194	S	C	.	.	H	α-helix	trans	-56.9	-48.8	175.1	170.5	-94.2	0	0	0	113.1	R676 R680 S740 S741 L742 S746 Q747 A748	R676-Y744 HydrophobicContact CB-CD1 4.33Å; R676-Y744 HydrophobicContact CB-CE1 4.38Å; R676-Y744 HydrophobicContact CG-CD1 4Å; R676-Y744 HydrophobicContact CG-CG 4.26Å; R680-Y744 PolarHBondContact NE-OH 2.69Å; R680-Y744 PolarHBondContact NH2-OH 2.8Å; R680-Y744 VanDerWaalsContact NH2-OH 3.14Å; S740-Y744 PolarHBondContact O-N 3.23Å; S741-Y744 WeakPolarHBondContact O-CB 3.48Å; S741-Y744 PolarHBondContact O-N 3.4Å; L742-Y744 VanDerWaalsContact C-N 3.34Å; L742-Y744 PolarHBondContact O-N 2.95Å; Y744-S746 VanDerWaalsContact C-N 3.26Å; Y744-S746 PolarHBondContact O-N 3.3Å; Y744-Q747 PolarHBondContact O-N 2.91Å; Y744-A748 PolarHBondContact O-N 3.36Å; Y744-A748 VanDerWaalsContact O-N 3.16Å
745	Y	97.6	Very high	96.7	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-70	-22.5	179.1	-71.7	-71	0	0	0	112.9	L673 L678 R680 L685 S741 L742 H743	L673-Y745 HydrophobicContact CD1-CD2 3.87Å; L673-Y745 HydrophobicContact CD1-CE2 3.58Å; L678-Y745 PolarHBondContact N-OH 3.18Å; L678-Y745 PolarHBondContact O-OH 3.39Å; R680-Y745 HydrophobicContact CG-CE1 4.46Å; L685-Y745 HydrophobicContact CD1-CD1 3.95Å; L685-Y745 HydrophobicContact CD1-CE1 3.9Å; L685-Y745 HydrophobicContact CD2-CD1 4.32Å; L685-Y745 HydrophobicContact CD2-CD2 4.35Å; L685-Y745 HydrophobicContact CD2-CE1 4.04Å; L685-Y745 HydrophobicContact CD2-CE2 4.11Å; L685-Y745 HydrophobicContact CD2-CG 4.49Å; S741-Y745 WeakPolarHBondContact O-CD2 3.44Å; S741-Y745 PolarHBondContact O-N 2.78Å; L742-Y745 PolarHBondContact O-N 3.45Å; H743-Y745 PolarHBondContact O-N 3.25Å
746	S	97.3	Very high	96.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-75.2	-24.5	174.2	79.5	0	0	0	0	114	L742 H743 Y744 R753	L742-S746 WeakPolarHBondContact O-CB 2.97Å; L742-S746 PolarHBondContact O-N 3.26Å; H743-S746 WeakPolarHBondContact CA-OG 3.24Å; H743-S746 WeakPolarHBondContact O-CB 3.37Å; H743-S746 PolarHBondContact O-N 2.88Å; H743-S746 VanDerWaalsContact O-N 3.14Å; H743-S746 PolarHBondContact O-OG 2.87Å; Y744-S746 VanDerWaalsContact C-N 3.26Å; Y744-S746 PolarHBondContact O-N 3.3Å; S746-R753 WeakPolarHBondContact O-CG 3.18Å; S746-R753 PolarHBondContact O-NE 3.42Å
747	Q	94.4	Very high	96.7	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-93.7	-21.5	177.8	-60.3	-52.9	-37.2	0	0	112.6	H743 Y744	H743-Q747 WeakPolarHBondContact O-CG 3.33Å; H743-Q747 PolarHBondContact O-N 3.17Å; Y744-Q747 PolarHBondContact O-N 2.91Å
748	A	88.8	Confident	96.7	Very high	8 Å²	8	49.5 Å²	49.5	7%	0.066	24%	0.24	C	C	.	.	S	Bend	trans	-77.6	140.2	179.5	0	0	0	0	0	112.1	R680 Y744 G750 R753	R680-A748 HydrophobicContact CG-CB 4.06Å; Y744-A748 PolarHBondContact O-N 3.36Å; Y744-A748 VanDerWaalsContact O-N 3.16Å; A748-G750 PolarHBondContact O-N 3Å; A748-R753 WeakPolarHBondContact O-CD 3.44Å; A748-R753 WeakPolarHBondContact O-CG 3.21Å
749	E	93	Very high	96.7	Very high	175 Å²	175	50 Å²	50	82%	0.818	24%	0.243	S	C	*	.			trans	-61.1	131.3	165.2	-67.1	-176.3	170.3	0	0	110.2
750	G	92.4	Very high	96.7	Very high	33 Å²	33	50 Å²	50	34%	0.34	24%	0.244	S	C	.	.	S	Bend	trans	165	161.9	-179.9	0	0	0	0	0	112.4	A748 Y752 R753	A748-G750 PolarHBondContact O-N 3Å; G750-Y752 PolarHBondContact O-N 3.13Å; G750-R753 WeakPolarHBondContact O-CB 2.84Å; G750-R753 PolarHBondContact O-N 2.95Å
751	P	96.3	Very high	96.7	Very high	95 Å²	95	52.2 Å²	52.2	62%	0.617	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	-176.5	24.4	-33.4	0	0	0	113.8
752	Y	96.6	Very high	96.7	Very high	36 Å²	36	57.6 Å²	57.6	14%	0.141	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.3	-176.7	-50.6	-65.7	0	0	0	114.2	S682 P683 L685 E686 G750 Q754 K755 A756	S682-Y752 WeakPolarHBondContact O-CE2 3.16Å; P683-Y752 VanDerWaalsContact CA-OH 3.32Å; P683-Y752 WeakPolarHBondContact CA-OH 3.37Å; L685-Y752 HydrophobicContact CB-CD2 3.8Å; L685-Y752 HydrophobicContact CB-CE2 4.37Å; L685-Y752 HydrophobicContact CB-CG 4.09Å; L685-Y752 HydrophobicContact CD1-CD2 3.89Å; L685-Y752 HydrophobicContact CG-CD2 4.45Å; E686-Y752 HydrophobicContact CB-CD1 4.01Å; E686-Y752 HydrophobicContact CB-CE1 3.57Å; E686-Y752 HydrophobicContact CG-CD1 4.46Å; E686-Y752 HydrophobicContact CG-CE1 4.08Å; G750-Y752 PolarHBondContact O-N 3.13Å; Y752-Q754 PolarHBondContact O-N 2.74Å; Y752-K755 PolarHBondContact O-N 3.5Å; Y752-A756 WeakPolarHBondContact O-CB 3.29Å; Y752-A756 PolarHBondContact O-N 3.21Å
753	R	97	Very high	96.7	Very high	129 Å²	129	57.6 Å²	57.6	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-55.2	-50.9	-176.4	-174.7	-172.8	170.9	-147.3	-0.3	112.7	S746 A748 G750 A756 F757	S746-R753 WeakPolarHBondContact O-CG 3.18Å; S746-R753 PolarHBondContact O-NE 3.42Å; A748-R753 WeakPolarHBondContact O-CD 3.44Å; A748-R753 WeakPolarHBondContact O-CG 3.21Å; G750-R753 WeakPolarHBondContact O-CB 2.84Å; G750-R753 PolarHBondContact O-N 2.95Å; R753-A756 PolarHBondContact O-N 3.21Å; R753-F757 PolarHBondContact O-N 2.84Å
754	Q	97.6	Very high	96.7	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-64.2	-46.2	-179	-173.7	61.1	48.2	0	0	111.3	Y752 A756 F757 D758	Y752-Q754 PolarHBondContact O-N 2.74Å; Q754-A756 VanDerWaalsContact C-N 3.3Å; Q754-A756 PolarHBondContact O-N 3.3Å; Q754-F757 WeakPolarHBondContact O-CB 3.17Å; Q754-F757 PolarHBondContact O-N 3.33Å; Q754-D758 PolarHBondContact NE2-OD1 2.64Å; Q754-D758 VanDerWaalsContact O-CG 3.23Å; Q754-D758 PolarHBondContact O-N 2.84Å
755	K	97.6	Very high	96.8	Very high	56 Å²	56	57.4 Å²	57.4	24%	0.243	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-43.4	177.1	-165.8	173.2	-170	178.7	0	111.2	E686 F689 E690 Y752 F757 D758 V759	E686-K755 PolarHBondContact O-NZ 3.22Å; E686-K755 VanDerWaalsContact O-NZ 3.17Å; F689-K755 HydrophobicContact CB-CD 4.15Å; F689-K755 HydrophobicContact CB-CG 4.24Å; F689-K755 HydrophobicContact CD2-CB 4.29Å; F689-K755 HydrophobicContact CD2-CD 4.1Å; F689-K755 HydrophobicContact CD2-CG 4.01Å; E690-K755 IonicContact OE1-NZ 2.82Å; E690-K755 PolarHBondContact OE1-NZ 3.08Å; Y752-K755 PolarHBondContact O-N 3.5Å; K755-F757 VanDerWaalsContact C-N 3.35Å; K755-F757 PolarHBondContact O-N 2.86Å; K755-D758 PolarHBondContact O-N 3.39Å; K755-V759 VanDerWaalsContact O-CG2 3.27Å; K755-V759 WeakPolarHBondContact O-CG2 3.37Å; K755-V759 PolarHBondContact O-N 3.35Å; K755-V759 VanDerWaalsContact O-N 3.11Å
756	A	98.3	Very high	96.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-40.8	175.8	0	0	0	0	0	112.4	F689 Y752 R753 Q754 Y760	F689-A756 HydrophobicContact CE2-CB 3.85Å; F689-A756 HydrophobicContact CZ-CB 3.9Å; Y752-A756 WeakPolarHBondContact O-CB 3.29Å; Y752-A756 PolarHBondContact O-N 3.21Å; R753-A756 PolarHBondContact O-N 3.21Å; Q754-A756 VanDerWaalsContact C-N 3.3Å; Q754-A756 PolarHBondContact O-N 3.3Å; A756-Y760 WeakPolarHBondContact O-CB 3.34Å; A756-Y760 PolarHBondContact O-N 3.28Å
757	F	98.3	Very high	96.9	Very high	83 Å²	83	57.6 Å²	57.6	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.5	-177.8	-104.2	0	0	0	112.6	R753 Q754 K755 Y760 N761	R753-F757 PolarHBondContact O-N 2.84Å; Q754-F757 WeakPolarHBondContact O-CB 3.17Å; Q754-F757 PolarHBondContact O-N 3.33Å; K755-F757 VanDerWaalsContact C-N 3.35Å; K755-F757 PolarHBondContact O-N 2.86Å; F757-Y760 WeakPolarHBondContact O-CB 3.48Å; F757-Y760 PolarHBondContact O-N 2.77Å; F757-N761 WeakPolarHBondContact CD1-ND2 3.37Å; F757-N761 WeakPolarHBondContact CE1-ND2 3.48Å; F757-N761 WeakPolarHBondContact CE2-ND2 3.48Å; F757-N761 WeakPolarHBondContact CZ-ND2 3.38Å; F757-N761 PolarHBondContact O-N 2.89Å; F757-N761 PolarHBondContact O-ND2 2.89Å
758	D	98.4	Very high	97.1	Very high	69 Å²	69	52.5 Å²	52.5	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-48.6	-179.2	-59.6	-25.3	0	0	0	110.5	Q754 K755 Y760 N761 E762	Q754-D758 PolarHBondContact NE2-OD1 2.64Å; Q754-D758 VanDerWaalsContact O-CG 3.23Å; Q754-D758 PolarHBondContact O-N 2.84Å; K755-D758 PolarHBondContact O-N 3.39Å; D758-Y760 VanDerWaalsContact C-N 3.34Å; D758-Y760 PolarHBondContact O-N 2.8Å; D758-N761 PolarHBondContact O-N 3.17Å; D758-E762 PolarHBondContact O-N 2.62Å; D758-E762 VanDerWaalsContact O-N 3.12Å
759	V	98.5	Very high	97.6	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-40.6	177.1	-178.6	0	0	0	0	111.5	T693 W699 L742 K755 L763	T693-V759 HydrophobicContact CG2-CB 4.26Å; T693-V759 HydrophobicContact CG2-CG1 3.8Å; T693-V759 HydrophobicContact CG2-CG2 3.49Å; T693-V759 VanDerWaalsContact CG2-CG2 3.49Å; W699-V759 HydrophobicContact CZ3-CG1 4.26Å; L742-V759 HydrophobicContact CD1-CB 4.42Å; L742-V759 HydrophobicContact CD1-CG1 3.75Å; L742-V759 HydrophobicContact CD2-CB 4.09Å; L742-V759 HydrophobicContact CD2-CG1 3.93Å; K755-V759 VanDerWaalsContact O-CG2 3.27Å; K755-V759 WeakPolarHBondContact O-CG2 3.37Å; K755-V759 PolarHBondContact O-N 3.35Å; K755-V759 VanDerWaalsContact O-N 3.11Å; V759-L763 WeakPolarHBondContact O-CB 3.33Å; V759-L763 PolarHBondContact O-N 3.43Å
760	Y	98.6	Very high	97.8	Very high	2 Å²	2	47 Å²	47	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-56.3	-53.1	175.3	164.2	-106.8	0	0	0	111.7	L739 H743 A756 F757 D758 L763 R764 E811 Y813	L739-Y760 HydrophobicContact CD2-CD2 3.9Å; L739-Y760 HydrophobicContact CD2-CE2 4.3Å; H743-Y760 HydrophobicContact CB-CD2 3.95Å; H743-Y760 HydrophobicContact CB-CE2 3.84Å; H743-Y760 AromaticContact ND1-CE1 3.92Å; H743-Y760 AromaticContact ND1-CE2 3.96Å; H743-Y760 AromaticContact ND1-CZ 3.62Å; A756-Y760 WeakPolarHBondContact O-CB 3.34Å; A756-Y760 PolarHBondContact O-N 3.28Å; F757-Y760 WeakPolarHBondContact O-CB 3.48Å; F757-Y760 PolarHBondContact O-N 2.77Å; D758-Y760 VanDerWaalsContact C-N 3.34Å; D758-Y760 PolarHBondContact O-N 2.8Å; Y760-L763 PolarHBondContact O-N 2.77Å; Y760-R764 WeakPolarHBondContact O-CB 3.25Å; Y760-R764 PolarHBondContact O-N 3.02Å; Y760-R764 WeakPolarHBondContact OH-CD 3.24Å; Y760-E811 WeakPolarHBondContact OH-CG 3.48Å; Y760-E811 PolarHBondContact OH-OE2 2.93Å; Y760-Y813 AromaticContact CE2-CE2 3.68Å; Y760-Y813 HydrophobicContact CE2-CE2 3.68Å; Y760-Y813 AromaticContact CE2-CZ 3.75Å; Y760-Y813 WeakPolarHBondContact CE2-OH 3.35Å; Y760-Y813 AromaticContact CZ-CE2 3.98Å; Y760-Y813 WeakPolarHBondContact OH-CE2 3.32Å; Y760-Y813 PolarHBondContact OH-OH 2.78Å
761	N	98.3	Very high	98.1	Very high	46 Å²	46	45.5 Å²	45.5	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-175.3	-74.7	-34.5	0	0	0	112	F757 D758 N765	F757-N761 WeakPolarHBondContact CD1-ND2 3.37Å; F757-N761 WeakPolarHBondContact CE1-ND2 3.48Å; F757-N761 WeakPolarHBondContact CE2-ND2 3.48Å; F757-N761 WeakPolarHBondContact CZ-ND2 3.38Å; F757-N761 PolarHBondContact O-N 2.89Å; F757-N761 PolarHBondContact O-ND2 2.89Å; D758-N761 PolarHBondContact O-N 3.17Å; N761-N765 WeakPolarHBondContact O-CB 3.4Å; N761-N765 PolarHBondContact O-N 2.91Å; N761-N765 VanDerWaalsContact O-N 3.08Å; N761-N765 PolarHBondContact O-ND2 2.87Å
762	E	98.5	Very high	98.2	Very high	113 Å²	113	41.3 Å²	41.3	53%	0.528	20%	0.201	S	C	.	.	H	α-helix	trans	-64.7	-45.5	179.4	-70.6	-172.6	-165.3	0	0	111.7	W699 D758 R764 N765 A766	W699-E762 HydrophobicContact CH2-CB 3.72Å; W699-E762 HydrophobicContact CZ2-CB 3.79Å; D758-E762 PolarHBondContact O-N 2.62Å; D758-E762 VanDerWaalsContact O-N 3.12Å; E762-R764 PolarHBondContact O-N 2.8Å; E762-N765 PolarHBondContact O-N 3.22Å; E762-A766 WeakPolarHBondContact O-CB 3.45Å; E762-A766 PolarHBondContact O-N 2.98Å
763	L	98.8	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-41.9	-179.3	-179.2	59	0	0	0	111.3	W699 L704 A738 L739 L742 V759 Y760 N765 A766 V767	W699-L763 HydrophobicContact CH2-CB 3.93Å; W699-L763 HydrophobicContact CZ3-CB 3.96Å; W699-L763 HydrophobicContact CZ3-CD1 4.12Å; L704-L763 HydrophobicContact CD1-CD2 3.9Å; L704-L763 HydrophobicContact CD2-CD1 4.22Å; L704-L763 HydrophobicContact CG-CD1 3.82Å; L704-L763 HydrophobicContact CG-CD2 3.95Å; A738-L763 HydrophobicContact CB-CD2 4Å; L739-L763 HydrophobicContact CD2-CB 3.89Å; L739-L763 HydrophobicContact CD2-CD2 3.94Å; L739-L763 HydrophobicContact CD2-CG 3.82Å; L739-L763 HydrophobicContact CG-CD2 4.22Å; L739-L763 HydrophobicContact CG-CG 4.31Å; L742-L763 HydrophobicContact CD1-CD2 3.92Å; V759-L763 WeakPolarHBondContact O-CB 3.33Å; V759-L763 PolarHBondContact O-N 3.43Å; Y760-L763 PolarHBondContact O-N 2.77Å; L763-N765 VanDerWaalsContact C-N 3.35Å; L763-N765 PolarHBondContact O-N 3.23Å; L763-A766 PolarHBondContact O-N 3.06Å; L763-V767 HydrophobicContact CD1-CG2 4.04Å; L763-V767 HydrophobicContact CG-CG2 4.43Å; L763-V767 VanDerWaalsContact O-CG2 3.32Å; L763-V767 WeakPolarHBondContact O-CG2 3.4Å; L763-V767 PolarHBondContact O-N 2.76Å
764	R	98.6	Very high	98.3	Very high	19 Å²	19	39.9 Å²	39.9	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-47.1	179.5	-179.4	178.3	173.8	-101.1	4.5	110.5	Y351 L739 Y760 E762 A766 V767 V768 M808 M809 E811	Y351-R764 VanDerWaalsContact OH-CZ 3.3Å; Y351-R764 PolarHBondContact OH-NH1 3.41Å; Y351-R764 PolarHBondContact OH-NH2 2.88Å; L739-R764 HydrophobicContact CD1-CB 4.31Å; L739-R764 HydrophobicContact CD2-CB 3.75Å; Y760-R764 WeakPolarHBondContact O-CB 3.25Å; Y760-R764 PolarHBondContact O-N 3.02Å; Y760-R764 WeakPolarHBondContact OH-CD 3.24Å; E762-R764 PolarHBondContact O-N 2.8Å; R764-A766 PolarHBondContact O-N 2.76Å; R764-V767 PolarHBondContact O-N 2.81Å; R764-V768 HydrophobicContact CG-CG2 4.24Å; R764-V768 VanDerWaalsContact O-CB 3.31Å; R764-V768 WeakPolarHBondContact O-CB 3.48Å; R764-V768 VanDerWaalsContact O-CG2 3.29Å; R764-V768 WeakPolarHBondContact O-CG2 3.38Å; R764-V768 PolarHBondContact O-N 3.49Å; R764-M808 VanDerWaalsContact CZ-O 3.28Å; R764-M808 PolarHBondContact NE-O 3.35Å; R764-M808 PolarHBondContact NH2-O 3.39Å; R764-M809 PolarHBondContact NH2-O 3.33Å; R764-E811 IonicContact NH2-OE1 3.54Å
765	N	98.2	Very high	98.2	Very high	93 Å²	93	35 Å²	35	50%	0.497	18%	0.175	S	C	.	.	H	α-helix	trans	-61.9	-44.2	178.2	-71.1	-21.1	0	0	0	111.3	N761 E762 L763 S769	N761-N765 WeakPolarHBondContact O-CB 3.4Å; N761-N765 PolarHBondContact O-N 2.91Å; N761-N765 VanDerWaalsContact O-N 3.08Å; N761-N765 PolarHBondContact O-ND2 2.87Å; E762-N765 PolarHBondContact O-N 3.22Å; L763-N765 VanDerWaalsContact C-N 3.35Å; L763-N765 PolarHBondContact O-N 3.23Å; N765-S769 WeakPolarHBondContact O-CB 3.47Å; N765-S769 PolarHBondContact O-N 3.43Å; N765-S769 PolarHBondContact O-OG 2.67Å
766	A	98.7	Very high	98.1	Very high	12 Å²	12	36.6 Å²	36.6	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-49.7	177	0	0	0	0	0	112.3	P701 E762 L763 R764 S769 N770	P701-A766 WeakPolarHBondContact O-CB 3.41Å; E762-A766 WeakPolarHBondContact O-CB 3.45Å; E762-A766 PolarHBondContact O-N 2.98Å; L763-A766 PolarHBondContact O-N 3.06Å; R764-A766 PolarHBondContact O-N 2.76Å; A766-S769 PolarHBondContact O-OG 2.82Å; A766-N770 VanDerWaalsContact O-CB 3.32Å; A766-N770 WeakPolarHBondContact O-CB 3.03Å; A766-N770 PolarHBondContact O-N 2.78Å
767	V	98.8	Very high	98	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-53	-177.8	176.6	0	0	0	0	111.4	I732 N735 L763 R764 S769 N770 V771 M808	I732-V767 HydrophobicContact CD1-CG1 3.78Å; N735-V767 HydrophobicContact CB-CG2 3.98Å; L763-V767 HydrophobicContact CD1-CG2 4.04Å; L763-V767 HydrophobicContact CG-CG2 4.43Å; L763-V767 VanDerWaalsContact O-CG2 3.32Å; L763-V767 WeakPolarHBondContact O-CG2 3.4Å; L763-V767 PolarHBondContact O-N 2.76Å; R764-V767 PolarHBondContact O-N 2.81Å; V767-S769 PolarHBondContact O-N 3.05Å; V767-N770 PolarHBondContact O-N 3.44Å; V767-V771 HydrophobicContact CG1-CG2 4.46Å; V767-V771 WeakPolarHBondContact O-CG2 3.32Å; V767-V771 PolarHBondContact O-N 2.77Å; V767-M808 HydrophobicContact CB-SD 4.35Å; V767-M808 HydrophobicContact CG1-CE 4.13Å; V767-M808 HydrophobicContact CG1-SD 3.59Å; V767-M808 VanDerWaalsContact CG1-SD 3.59Å
768	V	98.5	Very high	97.8	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-46	-176	171.4	0	0	0	0	110.7	F355 R764 N770 V771 V772 V805 M808 M809	F355-V768 HydrophobicContact CD1-CG1 4.07Å; F355-V768 HydrophobicContact CE1-CG1 3.92Å; R764-V768 HydrophobicContact CG-CG2 4.24Å; R764-V768 VanDerWaalsContact O-CB 3.31Å; R764-V768 WeakPolarHBondContact O-CB 3.48Å; R764-V768 VanDerWaalsContact O-CG2 3.29Å; R764-V768 WeakPolarHBondContact O-CG2 3.38Å; R764-V768 PolarHBondContact O-N 3.49Å; V768-N770 VanDerWaalsContact C-N 3.34Å; V768-N770 PolarHBondContact O-N 3.03Å; V768-V771 PolarHBondContact O-N 2.84Å; V768-V772 HydrophobicContact CG1-CG2 4.42Å; V768-V772 WeakPolarHBondContact O-CB 3.22Å; V768-V772 VanDerWaalsContact O-CG2 3.29Å; V768-V772 WeakPolarHBondContact O-CG2 3.34Å; V768-V772 PolarHBondContact O-N 2.77Å; V768-V805 HydrophobicContact CB-CG2 4.45Å; V768-V805 HydrophobicContact CG1-CG2 4.45Å; V768-V805 HydrophobicContact CG2-CG2 4.14Å; V768-M808 HydrophobicContact CG2-CB 3.76Å; V768-M808 HydrophobicContact CG2-SD 4.44Å; V768-M809 HydrophobicContact CG1-CG 3.58Å; V768-M809 HydrophobicContact CG1-SD 4.1Å; V768-M809 HydrophobicContact CG2-CG 4.2Å
769	S	98.1	Very high	97.5	Very high	62 Å²	62	37.5 Å²	37.5	43%	0.434	19%	0.191	S	C	.	.	H	α-helix	trans	-64.1	-39.1	-179.9	66.2	0	0	0	0	112.2	N765 A766 V767 K773	N765-S769 WeakPolarHBondContact O-CB 3.47Å; N765-S769 PolarHBondContact O-N 3.43Å; N765-S769 PolarHBondContact O-OG 2.67Å; A766-S769 PolarHBondContact O-OG 2.82Å; V767-S769 PolarHBondContact O-N 3.05Å; S769-K773 WeakPolarHBondContact O-CB 3.44Å; S769-K773 PolarHBondContact O-N 2.9Å
770	N	98.7	Very high	97.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-48.9	178.3	-170.9	57.5	0	0	0	111.9	Y702 A766 V767 V768 V772 K773 Q774 Y785 G790	Y702-N770 HydrophobicContact CD1-CB 4.07Å; Y702-N770 VanDerWaalsContact CD1-OD1 3.31Å; Y702-N770 WeakPolarHBondContact CD1-OD1 3.39Å; A766-N770 VanDerWaalsContact O-CB 3.32Å; A766-N770 WeakPolarHBondContact O-CB 3.03Å; A766-N770 PolarHBondContact O-N 2.78Å; V767-N770 PolarHBondContact O-N 3.44Å; V768-N770 VanDerWaalsContact C-N 3.34Å; V768-N770 PolarHBondContact O-N 3.03Å; N770-V772 VanDerWaalsContact C-N 3.34Å; N770-V772 PolarHBondContact O-N 2.91Å; N770-K773 PolarHBondContact O-N 2.98Å; N770-Q774 WeakPolarHBondContact O-CG 3.25Å; N770-Q774 PolarHBondContact O-N 2.97Å; N770-Y785 WeakPolarHBondContact ND2-CD1 3.47Å; N770-G790 PolarHBondContact ND2-O 3.49Å; N770-G790 WeakPolarHBondContact OD1-CA 3.44Å; N770-G790 PolarHBondContact OD1-O 3.37Å
771	V	98.5	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-47.2	178.6	173	0	0	0	0	111	I732 V767 V768 Q774 Y775 L781 Y785 T802 V805	I732-V771 HydrophobicContact CD1-CG2 3.64Å; I732-V771 HydrophobicContact CG1-CG2 4.26Å; V767-V771 HydrophobicContact CG1-CG2 4.46Å; V767-V771 WeakPolarHBondContact O-CG2 3.32Å; V767-V771 PolarHBondContact O-N 2.77Å; V768-V771 PolarHBondContact O-N 2.84Å; V771-Q774 PolarHBondContact O-N 2.81Å; V771-Y775 PolarHBondContact O-N 2.76Å; V771-L781 HydrophobicContact CG1-CD2 3.72Å; V771-Y785 HydrophobicContact CG2-CE2 3.8Å; V771-T802 HydrophobicContact CG1-CG2 4.32Å; V771-V805 HydrophobicContact CB-CG2 3.94Å; V771-V805 HydrophobicContact CG1-CB 4.04Å; V771-V805 HydrophobicContact CG1-CG1 3.98Å; V771-V805 HydrophobicContact CG1-CG2 3.86Å; V771-V805 HydrophobicContact CG2-CG2 4.33Å
772	V	98.2	Very high	97.1	Very high	8 Å²	8	37 Å²	37	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-42.6	179.1	170.6	0	0	0	0	111.2	V354 F355 V358 V768 N770 Q774 Y775 V776	V354-V772 HydrophobicContact CG2-CG1 4.36Å; F355-V772 HydrophobicContact CD1-CB 4.38Å; F355-V772 HydrophobicContact CD1-CG1 4.24Å; F355-V772 HydrophobicContact CD1-CG2 3.67Å; F355-V772 HydrophobicContact CE1-CB 4.14Å; F355-V772 HydrophobicContact CE1-CG1 4.08Å; F355-V772 HydrophobicContact CE1-CG2 3.84Å; F355-V772 HydrophobicContact CZ-CG1 4.32Å; V358-V772 HydrophobicContact CB-CG2 4.28Å; V358-V772 HydrophobicContact CG1-CG2 4.17Å; V358-V772 HydrophobicContact CG2-CB 4.43Å; V358-V772 HydrophobicContact CG2-CG1 4.08Å; V358-V772 HydrophobicContact CG2-CG2 4.09Å; V768-V772 HydrophobicContact CG1-CG2 4.42Å; V768-V772 WeakPolarHBondContact O-CB 3.22Å; V768-V772 VanDerWaalsContact O-CG2 3.29Å; V768-V772 WeakPolarHBondContact O-CG2 3.34Å; V768-V772 PolarHBondContact O-N 2.77Å; N770-V772 VanDerWaalsContact C-N 3.34Å; N770-V772 PolarHBondContact O-N 2.91Å; V772-Q774 VanDerWaalsContact C-N 3.34Å; V772-Q774 PolarHBondContact O-N 2.78Å; V772-Y775 PolarHBondContact O-N 3.45Å; V772-V776 HydrophobicContact CG1-CG2 4.42Å; V772-V776 VanDerWaalsContact O-CG2 3.31Å; V772-V776 WeakPolarHBondContact O-CG2 3.35Å; V772-V776 PolarHBondContact O-N 3.31Å
773	K	98	Very high	97.1	Very high	131 Å²	131	31.9 Å²	31.9	57%	0.57	16%	0.16	S	C	*	.	H	α-helix	trans	-59.5	-43.9	176	-179.6	-177.4	177.5	-174.7	0	111.8	S769 N770 V776 R777	S769-K773 WeakPolarHBondContact O-CB 3.44Å; S769-K773 PolarHBondContact O-N 2.9Å; N770-K773 PolarHBondContact O-N 2.98Å; K773-V776 PolarHBondContact O-N 2.84Å; K773-R777 WeakPolarHBondContact O-CB 3.22Å; K773-R777 PolarHBondContact O-N 2.76Å
774	Q	97.6	Very high	97	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177.9	-66.4	-53.3	-38.5	0	0	111.7	N770 V771 V772 V776 R777 T778 Y785 G790	N770-Q774 WeakPolarHBondContact O-CG 3.25Å; N770-Q774 PolarHBondContact O-N 2.97Å; V771-Q774 PolarHBondContact O-N 2.81Å; V772-Q774 VanDerWaalsContact C-N 3.34Å; V772-Q774 PolarHBondContact O-N 2.78Å; Q774-V776 PolarHBondContact O-N 2.81Å; Q774-R777 PolarHBondContact O-N 2.82Å; Q774-R777 VanDerWaalsContact O-N 3.17Å; Q774-R777 VanDerWaalsContact OE1-CZ 3.24Å; Q774-T778 PolarHBondContact O-N 3.03Å; Q774-T778 PolarHBondContact O-OG1 2.78Å; Q774-T778 VanDerWaalsContact O-OG1 3.12Å; Q774-Y785 HydrophobicContact CB-CD1 4.45Å; Q774-Y785 HydrophobicContact CB-CE1 3.79Å; Q774-Y785 HydrophobicContact CG-CD1 3.85Å; Q774-Y785 HydrophobicContact CG-CE1 3.69Å; Q774-G790 VanDerWaalsContact CD-O 3.3Å; Q774-G790 VanDerWaalsContact CG-O 3.25Å; Q774-G790 WeakPolarHBondContact CG-O 3.33Å; Q774-G790 PolarHBondContact NE2-O 3.36Å
775	Y	96	Very high	97	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.055	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-44.9	174	175.9	-96.9	0	0	0	112.3	V358 H361 V771 V772 R777 G779 Y780 L781	V358-Y775 HydrophobicContact CB-CD1 4.27Å; V358-Y775 HydrophobicContact CG1-CD1 4.45Å; V358-Y775 HydrophobicContact CG1-CG 4.36Å; V358-Y775 HydrophobicContact CG2-CD1 3.27Å; V358-Y775 HydrophobicContact CG2-CE1 3.76Å; V358-Y775 HydrophobicContact CG2-CG 3.93Å; H361-Y775 HydrophobicContact CB-CE2 4.29Å; H361-Y775 AromaticContact CD2-CD2 3.89Å; H361-Y775 AromaticContact CD2-CE2 3.35Å; H361-Y775 WeakPolarHBondContact CD2-CE2 3.34Å; H361-Y775 AromaticContact CE1-CE2 3.84Å; H361-Y775 AromaticContact CG-CE2 3.57Å; H361-Y775 AromaticContact CG-CZ 3.85Å; H361-Y775 AromaticContact ND1-CE2 3.88Å; H361-Y775 AromaticContact NE2-CE2 3.55Å; V771-Y775 PolarHBondContact O-N 2.76Å; V772-Y775 PolarHBondContact O-N 3.45Å; Y775-R777 VanDerWaalsContact C-N 3.29Å; Y775-R777 PolarHBondContact O-N 2.79Å; Y775-G779 WeakPolarHBondContact O-CA 2.97Å; Y775-G779 PolarHBondContact O-N 2.9Å; Y775-Y780 WeakPolarHBondContact CA-O 2.99Å; Y775-L781 HydrophobicContact CD2-CD2 4.28Å; Y775-L781 HydrophobicContact CD2-CG 4.45Å
776	V	95.8	Very high	97	Very high	91 Å²	91	28.5 Å²	28.5	55%	0.552	14%	0.143	S	C	*	.	H	α-helix	trans	-62.3	-39	176.8	170.7	0	0	0	0	111.2	V354 V772 K773 Q774	V354-V776 HydrophobicContact CG2-CG2 3.46Å; V354-V776 VanDerWaalsContact CG2-CG2 3.46Å; V772-V776 HydrophobicContact CG1-CG2 4.42Å; V772-V776 VanDerWaalsContact O-CG2 3.31Å; V772-V776 WeakPolarHBondContact O-CG2 3.35Å; V772-V776 PolarHBondContact O-N 3.31Å; K773-V776 PolarHBondContact O-N 2.84Å; Q774-V776 PolarHBondContact O-N 2.81Å
777	R	95.4	Very high	97	Very high	132 Å²	132	28.1 Å²	28.1	50%	0.498	14%	0.139	S	C	.	.	H	α-helix	trans	-71.3	-43	-179.4	-174.2	177.3	74.1	135.3	2.3	113	K773 Q774 Y775 E791	K773-R777 WeakPolarHBondContact O-CB 3.22Å; K773-R777 PolarHBondContact O-N 2.76Å; Q774-R777 PolarHBondContact O-N 2.82Å; Q774-R777 VanDerWaalsContact O-N 3.17Å; Q774-R777 VanDerWaalsContact OE1-CZ 3.24Å; Y775-R777 VanDerWaalsContact C-N 3.29Å; Y775-R777 PolarHBondContact O-N 2.79Å; R777-E791 IonicContact CZ-OE1 3.87Å; R777-E791 IonicContact NH1-OE1 2.61Å; R777-E791 PolarHBondContact NH1-OE1 3.34Å; R777-E791 VanDerWaalsContact NH2-CG 3.32Å; R777-E791 IonicContact NH2-OE1 2.68Å; R777-E791 PolarHBondContact NH2-OE1 3.06Å
778	T	94	Very high	97	Very high	37 Å²	37	32.7 Å²	32.7	23%	0.227	17%	0.167	C	C	.	.	H	α-helix	trans	-113.1	-13.2	-167.9	74.9	0	0	0	0	113.9	Q774 Y780 W782	Q774-T778 PolarHBondContact O-N 3.03Å; Q774-T778 PolarHBondContact O-OG1 2.78Å; Q774-T778 VanDerWaalsContact O-OG1 3.12Å; T778-Y780 VanDerWaalsContact C-N 3.25Å; T778-Y780 VanDerWaalsContact O-CD2 3.31Å; T778-Y780 WeakPolarHBondContact O-CD2 3.46Å; T778-Y780 PolarHBondContact O-N 2.85Å; T778-Y780 PolarHBondContact OG1-N 2.88Å; T778-Y780 PolarHBondContact OG1-O 2.78Å; T778-W782 HydrophobicContact CG2-CZ2 4.29Å; T778-W782 PolarHBondContact OG1-NE1 2.77Å
779	G	91.7	Very high	96.9	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	73.9	10.5	-172.1	0	0	0	0	0	114.8	Y775	Y775-G779 WeakPolarHBondContact O-CA 2.97Å; Y775-G779 PolarHBondContact O-N 2.9Å
780	Y	94.1	Very high	96.9	Very high	11 Å²	11	32.3 Å²	32.3	4%	0.043	16%	0.162	C	C	.	.	S	Bend	trans	-134.2	147.7	-173	-69.5	-62.5	0	0	0	112.9	L136 R138 H139 Y775 T778 H796 P797	L136-Y780 PolarHBondContact O-OH 3.05Å; L136-Y780 VanDerWaalsContact O-OH 3.06Å; R138-Y780 VanDerWaalsContact C-OH 3.23Å; R138-Y780 WeakPolarHBondContact CA-OH 3.29Å; R138-Y780 PolarHBondContact N-OH 2.92Å; H139-Y780 PolarHBondContact N-OH 3.05Å; H139-Y780 AromaticContact ND1-CE1 3.89Å; H139-Y780 AromaticContact ND1-CZ 3.89Å; H139-Y780 PolarHBondContact ND1-OH 2.94Å; Y775-Y780 WeakPolarHBondContact CA-O 2.99Å; T778-Y780 VanDerWaalsContact C-N 3.25Å; T778-Y780 VanDerWaalsContact O-CD2 3.31Å; T778-Y780 WeakPolarHBondContact O-CD2 3.46Å; T778-Y780 PolarHBondContact O-N 2.85Å; T778-Y780 PolarHBondContact OG1-N 2.88Å; T778-Y780 PolarHBondContact OG1-O 2.78Å; Y780-H796 AromaticContact CD2-CD2 3.7Å; Y780-H796 HydrophobicContact CG-CB 4.49Å; Y780-P797 HydrophobicContact CD1-CB 3.84Å; Y780-P797 HydrophobicContact CD1-CG 4.41Å; Y780-P797 HydrophobicContact CE1-CB 4.23Å; Y780-P797 HydrophobicContact CE1-CG 4.32Å
781	L	96.6	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.			trans	-87.4	140.2	158.1	-62.9	-178.9	0	0	0	109.2	V358 A362 V771 Y775 F798 T802	V358-L781 HydrophobicContact CG1-CD2 4.3Å; A362-L781 HydrophobicContact CB-CD1 3.9Å; V771-L781 HydrophobicContact CG1-CD2 3.72Å; Y775-L781 HydrophobicContact CD2-CD2 4.28Å; Y775-L781 HydrophobicContact CD2-CG 4.45Å; L781-F798 WeakPolarHBondContact CB-O 2.84Å; L781-F798 PolarHBondContact O-N 3.24Å; L781-T802 HydrophobicContact CB-CG2 3.85Å; L781-T802 HydrophobicContact CD1-CG2 4.39Å; L781-T802 HydrophobicContact CD2-CG2 4.16Å; L781-T802 HydrophobicContact CG-CG2 4.35Å
782	W	97.4	Very high	96.9	Very high	36 Å²	36	36.2 Å²	36.2	14%	0.136	18%	0.183	C	C	.	.			trans	-113.6	156.7	-173.2	-65.8	83.7	0	0	0	111.7	T778 Y785 G792 H796 T802	T778-W782 HydrophobicContact CG2-CZ2 4.29Å; T778-W782 PolarHBondContact OG1-NE1 2.77Å; W782-Y785 HydrophobicContact CB-CE1 4.23Å; W782-G792 VanDerWaalsContact CG-CA 3.42Å; W782-H796 HydrophobicContact CD2-CB 3.97Å; W782-H796 HydrophobicContact CE3-CB 3.71Å; W782-H796 AromaticContact CE3-CG 3.91Å; W782-H796 HydrophobicContact CH2-CB 4.18Å; W782-H796 AromaticContact CH2-CD2 3.54Å; W782-H796 AromaticContact CH2-CE1 3.87Å; W782-H796 AromaticContact CH2-CG 3.58Å; W782-H796 AromaticContact CH2-ND1 3.77Å; W782-H796 AromaticContact CH2-NE2 3.75Å; W782-H796 HydrophobicContact CZ2-CB 4.42Å; W782-H796 AromaticContact CZ2-CD2 3.91Å; W782-H796 HydrophobicContact CZ3-CB 3.82Å; W782-H796 AromaticContact CZ3-CD2 3.94Å; W782-H796 AromaticContact CZ3-CE1 3.91Å; W782-H796 AromaticContact CZ3-CG 3.47Å; W782-H796 VanDerWaalsContact CZ3-CG 3.47Å; W782-H796 AromaticContact CZ3-ND1 3.44Å; W782-H796 WeakPolarHBondContact CZ3-ND1 3.33Å; W782-T802 WeakPolarHBondContact O-CB 3.13Å; W782-T802 WeakPolarHBondContact O-CG2 3.22Å; W782-T802 PolarHBondContact O-OG1 3.09Å
783	E	97.3	Very high	96.8	Very high	5 Å²	5	39 Å²	39	2%	0.023	20%	0.196	C	C	.	.	S	Bend	trans	-60.9	-45.3	-179.2	-177.5	167.2	-149	0	0	112.6	Y725 W731 S795 F798 W801	Y725-E783 PolarHBondContact OH-OE1 2.92Å; W731-E783 HydrophobicContact CH2-CG 4.26Å; W731-E783 HydrophobicContact CZ3-CG 3.79Å; E783-S795 PolarHBondContact N-O 3.4Å; E783-S795 VanDerWaalsContact N-O 3.12Å; E783-S795 WeakPolarHBondContact OE2-CB 3.03Å; E783-S795 PolarHBondContact OE2-N 2.81Å; E783-S795 PolarHBondContact OE2-OG 2.64Å; E783-F798 HydrophobicContact CB-CB 4.19Å; E783-F798 HydrophobicContact CB-CD1 4.43Å; E783-F798 HydrophobicContact CB-CD2 3.7Å; E783-F798 HydrophobicContact CB-CE2 4.17Å; E783-F798 HydrophobicContact CB-CG 3.85Å; E783-F798 HydrophobicContact CG-CD2 3.84Å; E783-F798 HydrophobicContact CG-CE2 3.78Å; E783-F798 HydrophobicContact CG-CG 4.29Å; E783-F798 HydrophobicContact CG-CZ 4.21Å; E783-W801 HydrophobicContact CG-CZ2 3.85Å; E783-W801 PolarHBondContact O-NE1 2.95Å
784	H	98	Very high	96.6	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	176.1	175	56.5	-90.5	0	0	0	110.6	A729 W731 E793	A729-H784 HydrophobicContact CB-CB 4.1Å; A729-H784 VanDerWaalsContact CB-CD2 3.45Å; A729-H784 WeakPolarHBondContact CB-CD2 3.4Å; W731-H784 HydrophobicContact CD2-CB 3.76Å; W731-H784 HydrophobicContact CE3-CB 3.84Å; W731-H784 HydrophobicContact CG-CB 4.32Å; W731-H784 HydrophobicContact CH2-CB 4.09Å; W731-H784 AromaticContact CH2-CG 3.92Å; W731-H784 AromaticContact CH2-ND1 3.35Å; W731-H784 WeakPolarHBondContact CH2-ND1 3.19Å; W731-H784 HydrophobicContact CZ2-CB 4.03Å; W731-H784 AromaticContact CZ2-CG 3.86Å; W731-H784 AromaticContact CZ2-ND1 3.66Å; W731-H784 HydrophobicContact CZ3-CB 4.01Å; W731-H784 AromaticContact CZ3-ND1 3.85Å; H784-E793 PolarHBondContact N-O 3.29Å; H784-E793 WeakPolarHBondContact NE2-CB 3.2Å; H784-E793 PolarHBondContact O-N 2.9Å
785	Y	98.6	Very high	96.4	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.7	-178	-59.6	-92	0	0	0	111.4	V730 I732 N770 V771 Q774 W782 D787 E791 T802	V730-Y785 PolarHBondContact N-O 2.97Å; V730-Y785 PolarHBondContact O-N 2.87Å; I732-Y785 HydrophobicContact CD1-CD2 3.8Å; I732-Y785 HydrophobicContact CD1-CE2 3.7Å; I732-Y785 HydrophobicContact CG1-CD2 4.1Å; I732-Y785 HydrophobicContact CG1-CE2 3.68Å; N770-Y785 WeakPolarHBondContact ND2-CD1 3.47Å; V771-Y785 HydrophobicContact CG2-CE2 3.8Å; Q774-Y785 HydrophobicContact CB-CD1 4.45Å; Q774-Y785 HydrophobicContact CB-CE1 3.79Å; Q774-Y785 HydrophobicContact CG-CD1 3.85Å; Q774-Y785 HydrophobicContact CG-CE1 3.69Å; W782-Y785 HydrophobicContact CB-CE1 4.23Å; Y785-D787 PolarHBondContact O-N 2.95Å; Y785-E791 CarbonylContact C-O 3.5Å; Y785-E791 VanDerWaalsContact CA-O 3.29Å; Y785-E791 WeakPolarHBondContact CA-O 3.09Å; Y785-T802 HydrophobicContact CE2-CG2 4.28Å; Y785-T802 WeakPolarHBondContact OH-CG2 3.29Å
786	N	98.3	Very high	96.3	Very high	24 Å²	24	35.9 Å²	35.9	13%	0.128	19%	0.194	C	C	.	.			trans	-62.6	132.5	175.9	-170.7	-73.7	0	0	0	110.4	V788 T789 G790 E791 E793	N786-V788 VanDerWaalsContact C-N 3.28Å; N786-V788 PolarHBondContact O-N 3.1Å; N786-V788 WeakPolarHBondContact OD1-CA 3.3Å; N786-V788 WeakPolarHBondContact OD1-CB 3.36Å; N786-V788 PolarHBondContact OD1-N 3.16Å; N786-T789 VanDerWaalsContact CB-OG1 3.27Å; N786-T789 WeakPolarHBondContact CB-OG1 3.23Å; N786-T789 VanDerWaalsContact CG-OG1 3.3Å; N786-T789 PolarHBondContact OD1-N 2.79Å; N786-T789 PolarHBondContact OD1-OG1 3.16Å; N786-G790 WeakPolarHBondContact O-CA 3.44Å; N786-G790 PolarHBondContact O-N 3.17Å; N786-E791 PolarHBondContact N-O 3.29Å; N786-E793 HydrophobicContact CB-CG 4.42Å; N786-E793 PolarHBondContact ND2-OE1 3.48Å
787	D	97.9	Very high	96.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.027	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.5	-174.3	68.6	-31.5	0	0	0	114.6	T700 R705 Y714 G728 V730 Y785	T700-D787 HydrophobicContact CG2-CB 4.02Å; R705-D787 HydrophobicContact CB-CB 3.89Å; R705-D787 IonicContact CZ-OD2 3.78Å; R705-D787 IonicContact NE-OD2 3.76Å; R705-D787 IonicContact NH1-OD2 3.81Å; R705-D787 PolarHBondContact NH1-OD2 3.46Å; Y714-D787 VanDerWaalsContact CE2-OD2 3.22Å; Y714-D787 WeakPolarHBondContact CE2-OD2 3.36Å; Y714-D787 VanDerWaalsContact CZ-OD2 3.3Å; Y714-D787 PolarHBondContact OH-OD2 3.15Å; G728-D787 WeakPolarHBondContact O-CB 3.24Å; G728-D787 VanDerWaalsContact O-CG 3.24Å; V730-D787 HydrophobicContact CG2-CB 4.03Å; Y785-D787 PolarHBondContact O-N 2.95Å
788	V	97.6	Very high	96.1	Very high	96 Å²	96	25.6 Å²	25.6	58%	0.582	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-43	176.3	-179.3	0	0	0	0	111.4	Y702 N786	Y702-V788 WeakPolarHBondContact CE2-O 3.36Å; Y702-V788 PolarHBondContact OH-O 3.06Å; N786-V788 VanDerWaalsContact C-N 3.28Å; N786-V788 PolarHBondContact O-N 3.1Å; N786-V788 WeakPolarHBondContact OD1-CA 3.3Å; N786-V788 WeakPolarHBondContact OD1-CB 3.36Å; N786-V788 PolarHBondContact OD1-N 3.16Å
789	T	98.2	Very high	95.7	Very high	60 Å²	60	24 Å²	24	37%	0.368	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-19.9	-174.7	66	0	0	0	0	113.5	N786 E791	N786-T789 VanDerWaalsContact CB-OG1 3.27Å; N786-T789 WeakPolarHBondContact CB-OG1 3.23Å; N786-T789 VanDerWaalsContact CG-OG1 3.3Å; N786-T789 PolarHBondContact OD1-N 2.79Å; N786-T789 PolarHBondContact OD1-OG1 3.16Å; T789-E791 PolarHBondContact O-N 3.38Å; T789-E791 WeakPolarHBondContact OG1-CB 3.36Å; T789-E791 VanDerWaalsContact OG1-CG 3.32Å; T789-E791 WeakPolarHBondContact OG1-CG 3.09Å; T789-E791 PolarHBondContact OG1-N 3.32Å
790	G	98.2	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.			trans	73.7	3.5	-171.9	0	0	0	0	0	113.9	N770 Q774 N786	N770-G790 PolarHBondContact ND2-O 3.49Å; N770-G790 WeakPolarHBondContact OD1-CA 3.44Å; N770-G790 PolarHBondContact OD1-O 3.37Å; Q774-G790 VanDerWaalsContact CD-O 3.3Å; Q774-G790 VanDerWaalsContact CG-O 3.25Å; Q774-G790 WeakPolarHBondContact CG-O 3.33Å; Q774-G790 PolarHBondContact NE2-O 3.36Å; N786-G790 WeakPolarHBondContact O-CA 3.44Å; N786-G790 PolarHBondContact O-N 3.17Å
791	E	98.4	Very high	95.7	Very high	76 Å²	76	23.8 Å²	23.8	36%	0.355	14%	0.135	S	C	.	.			trans	-67.7	142.8	-179.9	-63.4	-173.5	132	0	0	111.7	R777 Y785 N786 T789	R777-E791 IonicContact CZ-OE1 3.87Å; R777-E791 IonicContact NH1-OE1 2.61Å; R777-E791 PolarHBondContact NH1-OE1 3.34Å; R777-E791 VanDerWaalsContact NH2-CG 3.32Å; R777-E791 IonicContact NH2-OE1 2.68Å; R777-E791 PolarHBondContact NH2-OE1 3.06Å; Y785-E791 CarbonylContact C-O 3.5Å; Y785-E791 VanDerWaalsContact CA-O 3.29Å; Y785-E791 WeakPolarHBondContact CA-O 3.09Å; N786-E791 PolarHBondContact N-O 3.29Å; T789-E791 PolarHBondContact O-N 3.38Å; T789-E791 WeakPolarHBondContact OG1-CB 3.36Å; T789-E791 VanDerWaalsContact OG1-CG 3.32Å; T789-E791 WeakPolarHBondContact OG1-CG 3.09Å; T789-E791 PolarHBondContact OG1-N 3.32Å
792	G	97.8	Very high	95.8	Very high	11 Å²	11	23.8 Å²	23.8	11%	0.113	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.6	173.3	0	0	0	0	0	111.1	W782	W782-G792 VanDerWaalsContact CG-CA 3.42Å
793	E	95.9	Very high	95.8	Very high	67 Å²	67	22 Å²	22	31%	0.313	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.5	-178.3	-70.6	177.2	158.1	0	0	110.4	H784 N786	H784-E793 PolarHBondContact N-O 3.29Å; H784-E793 WeakPolarHBondContact NE2-CB 3.2Å; H784-E793 PolarHBondContact O-N 2.9Å; N786-E793 HydrophobicContact CB-CG 4.42Å; N786-E793 PolarHBondContact ND2-OE1 3.48Å
794	G	93.8	Very high	95.9	Very high	37 Å²	37	21.9 Å²	21.9	38%	0.381	13%	0.128	S	C	.	.	S	Bend	trans	80.3	-148.5	-178.9	0	0	0	0	0	113.6
795	S	93.7	Very high	95.9	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.035	12%	0.124	C	C	.	.	S	Bend	trans	-67.4	143.1	-175.5	-61.2	0	0	0	0	112.3	E783 F798	E783-S795 PolarHBondContact N-O 3.4Å; E783-S795 VanDerWaalsContact N-O 3.12Å; E783-S795 WeakPolarHBondContact OE2-CB 3.03Å; E783-S795 PolarHBondContact OE2-N 2.81Å; E783-S795 PolarHBondContact OE2-OG 2.64Å; S795-F798 WeakPolarHBondContact O-CB 3.37Å
796	H	93.7	Very high	95.9	Very high	41 Å²	41	21.1 Å²	21.1	19%	0.19	12%	0.124	C	C	.	.	S	Bend	trans	-150.6	151.5	173.6	64.5	-54.5	0	0	0	111.3	Q132 S403 Y780 W782	Q132-H796 WeakPolarHBondContact CG-O 3.33Å; Q132-H796 PolarHBondContact OE1-CE1 3.37Å; Q132-H796 PolarHBondContact OE1-ND1 3.46Å; S403-H796 PolarHBondContact OG-O 2.87Å; Y780-H796 AromaticContact CD2-CD2 3.7Å; Y780-H796 HydrophobicContact CG-CB 4.49Å; W782-H796 HydrophobicContact CD2-CB 3.97Å; W782-H796 HydrophobicContact CE3-CB 3.71Å; W782-H796 AromaticContact CE3-CG 3.91Å; W782-H796 HydrophobicContact CH2-CB 4.18Å; W782-H796 AromaticContact CH2-CD2 3.54Å; W782-H796 AromaticContact CH2-CE1 3.87Å; W782-H796 AromaticContact CH2-CG 3.58Å; W782-H796 AromaticContact CH2-ND1 3.77Å; W782-H796 AromaticContact CH2-NE2 3.75Å; W782-H796 HydrophobicContact CZ2-CB 4.42Å; W782-H796 AromaticContact CZ2-CD2 3.91Å; W782-H796 HydrophobicContact CZ3-CB 3.82Å; W782-H796 AromaticContact CZ3-CD2 3.94Å; W782-H796 AromaticContact CZ3-CE1 3.91Å; W782-H796 AromaticContact CZ3-CG 3.47Å; W782-H796 VanDerWaalsContact CZ3-CG 3.47Å; W782-H796 AromaticContact CZ3-ND1 3.44Å; W782-H796 WeakPolarHBondContact CZ3-ND1 3.33Å
797	P	93.3	Very high	95.9	Very high	7 Å²	7	20 Å²	20	5%	0.045	12%	0.118	C	C	.	.	S	Bend	cis	-55.4	140.9	-21.1	25.6	-33.4	0	0	0	110.4	H139 S401 Y780	H139-P797 WeakPolarHBondContact CE1-CD 3.37Å; H139-P797 WeakPolarHBondContact NE2-CD 2.97Å; H139-P797 VanDerWaalsContact NE2-CG 3.29Å; H139-P797 WeakPolarHBondContact NE2-CG 3.49Å; S401-P797 PolarHBondContact OG-O 3.46Å; Y780-P797 HydrophobicContact CD1-CB 3.84Å; Y780-P797 HydrophobicContact CD1-CG 4.41Å; Y780-P797 HydrophobicContact CE1-CB 4.23Å; Y780-P797 HydrophobicContact CE1-CG 4.32Å
798	F	94.8	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.117	C	C	.	.			trans	-121.1	85.6	173.6	-162.7	-82.3	0	0	0	108	P400 F405 L781 E783 S795 G800 W801	P400-F798 HydrophobicContact CB-CE2 3.89Å; P400-F798 HydrophobicContact CB-CZ 3.89Å; F405-F798 HydrophobicContact CD2-CE2 4.33Å; L781-F798 WeakPolarHBondContact CB-O 2.84Å; L781-F798 PolarHBondContact O-N 3.24Å; E783-F798 HydrophobicContact CB-CB 4.19Å; E783-F798 HydrophobicContact CB-CD1 4.43Å; E783-F798 HydrophobicContact CB-CD2 3.7Å; E783-F798 HydrophobicContact CB-CE2 4.17Å; E783-F798 HydrophobicContact CB-CG 3.85Å; E783-F798 HydrophobicContact CG-CD2 3.84Å; E783-F798 HydrophobicContact CG-CE2 3.78Å; E783-F798 HydrophobicContact CG-CG 4.29Å; E783-F798 HydrophobicContact CG-CZ 4.21Å; S795-F798 WeakPolarHBondContact O-CB 3.37Å; F798-G800 PolarHBondContact O-N 2.96Å; F798-W801 AromaticContact CE1-CD1 3.69Å; F798-W801 AromaticContact CE1-CD2 3.59Å; F798-W801 HydrophobicContact CE1-CD2 3.59Å; F798-W801 AromaticContact CE1-CE2 3.26Å; F798-W801 HydrophobicContact CE1-CE3 4.25Å; F798-W801 AromaticContact CE1-CG 3.81Å; F798-W801 HydrophobicContact CE1-CG 3.81Å; F798-W801 HydrophobicContact CE1-CH2 4.3Å; F798-W801 AromaticContact CE1-CZ2 3.62Å; F798-W801 HydrophobicContact CE1-CZ2 3.62Å; F798-W801 AromaticContact CE1-NE1 3.35Å; F798-W801 HydrophobicContact CE2-CH2 4.37Å; F798-W801 HydrophobicContact CE2-CZ2 4.03Å; F798-W801 AromaticContact CZ-CD2 3.85Å; F798-W801 HydrophobicContact CZ-CD2 3.85Å; F798-W801 AromaticContact CZ-CE2 3.4Å; F798-W801 VanDerWaalsContact CZ-CE2 3.4Å; F798-W801 HydrophobicContact CZ-CE3 4.13Å; F798-W801 AromaticContact CZ-CH2 3.58Å; F798-W801 HydrophobicContact CZ-CH2 3.58Å; F798-W801 AromaticContact CZ-CZ2 3.21Å; F798-W801 HydrophobicContact CZ-CZ2 3.21Å; F798-W801 HydrophobicContact CZ-CZ3 4.03Å; F798-W801 AromaticContact CZ-NE1 3.94Å
799	S	85.3	Confident	95.9	Very high	5 Å²	5	15.1 Å²	15.1	4%	0.035	9%	0.089	C	C	.	.			trans	-89.8	18.5	175.5	54.7	0	0	0	0	112.4	S365 M366 S803	S365-S799 PolarHBondContact O-OG 3.35Å; M366-S799 WeakPolarHBondContact CE-O 3.36Å; M366-S799 VanDerWaalsContact SD-O 3.4Å; S799-S803 WeakPolarHBondContact CA-OG 3.15Å; S799-S803 PolarHBondContact O-OG 2.96Å
800	G	88.9	Confident	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-74.2	-126.1	172.6	0	0	0	0	0	112.4	M366 P400 H416 F798 T802 S803	M366-G800 WeakPolarHBondContact CE-O 3.32Å; P400-G800 PolarHBondContact O-N 3.22Å; H416-G800 VanDerWaalsContact CD2-C 3.47Å; H416-G800 VanDerWaalsContact CD2-CA 3.5Å; H416-G800 WeakPolarHBondContact CD2-CA 3.39Å; H416-G800 WeakPolarHBondContact NE2-CA 3.37Å; F798-G800 PolarHBondContact O-N 2.96Å; G800-T802 PolarHBondContact O-N 3.38Å; G800-S803 WeakPolarHBondContact O-CB 3.5Å; G800-S803 PolarHBondContact O-N 3.49Å; G800-S803 PolarHBondContact O-OG 2.89Å
801	W	96.5	Very high	95.8	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.027	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-56.7	-20.3	179.7	54.3	62.3	0	0	0	115.3	W411 D412 F415 W731 N733 E783 F798 S803 L804	W411-W801 AromaticContact CE2-CZ3 3.66Å; W411-W801 AromaticContact CZ2-CE3 3.83Å; W411-W801 HydrophobicContact CZ2-CE3 3.83Å; W411-W801 HydrophobicContact CZ2-CH2 4.41Å; W411-W801 AromaticContact CZ2-CZ3 3.66Å; W411-W801 HydrophobicContact CZ2-CZ3 3.66Å; W411-W801 AromaticContact NE1-CZ3 3.25Å; D412-W801 HydrophobicContact CB-CZ3 4.43Å; D412-W801 VanDerWaalsContact CG-CZ3 3.42Å; D412-W801 WeakPolarHBondContact OD1-CZ3 3.45Å; F415-W801 HydrophobicContact CB-CB 4.12Å; W731-W801 AromaticContact CE3-CZ2 3.87Å; W731-W801 HydrophobicContact CE3-CZ2 3.87Å; W731-W801 AromaticContact CE3-NE1 3.99Å; W731-W801 HydrophobicContact CZ3-CH2 4.33Å; W731-W801 AromaticContact CZ3-CZ2 3.54Å; W731-W801 HydrophobicContact CZ3-CZ2 3.54Å; N733-W801 HydrophobicContact CB-CB 3.67Å; N733-W801 HydrophobicContact CB-CD2 4.46Å; N733-W801 HydrophobicContact CB-CG 3.93Å; N733-W801 VanDerWaalsContact ND2-CD2 3.25Å; E783-W801 HydrophobicContact CG-CZ2 3.85Å; E783-W801 PolarHBondContact O-NE1 2.95Å; F798-W801 AromaticContact CE1-CD1 3.69Å; F798-W801 AromaticContact CE1-CD2 3.59Å; F798-W801 HydrophobicContact CE1-CD2 3.59Å; F798-W801 AromaticContact CE1-CE2 3.26Å; F798-W801 HydrophobicContact CE1-CE3 4.25Å; F798-W801 AromaticContact CE1-CG 3.81Å; F798-W801 HydrophobicContact CE1-CG 3.81Å; F798-W801 HydrophobicContact CE1-CH2 4.3Å; F798-W801 AromaticContact CE1-CZ2 3.62Å; F798-W801 HydrophobicContact CE1-CZ2 3.62Å; F798-W801 AromaticContact CE1-NE1 3.35Å; F798-W801 HydrophobicContact CE2-CH2 4.37Å; F798-W801 HydrophobicContact CE2-CZ2 4.03Å; F798-W801 AromaticContact CZ-CD2 3.85Å; F798-W801 HydrophobicContact CZ-CD2 3.85Å; F798-W801 AromaticContact CZ-CE2 3.4Å; F798-W801 VanDerWaalsContact CZ-CE2 3.4Å; F798-W801 HydrophobicContact CZ-CE3 4.13Å; F798-W801 AromaticContact CZ-CH2 3.58Å; F798-W801 HydrophobicContact CZ-CH2 3.58Å; F798-W801 AromaticContact CZ-CZ2 3.21Å; F798-W801 HydrophobicContact CZ-CZ2 3.21Å; F798-W801 HydrophobicContact CZ-CZ3 4.03Å; F798-W801 AromaticContact CZ-NE1 3.94Å; W801-S803 PolarHBondContact O-N 3.05Å; W801-L804 HydrophobicContact CB-CD1 4.21Å; W801-L804 VanDerWaalsContact O-CB 3.25Å; W801-L804 WeakPolarHBondContact O-CB 3.26Å; W801-L804 WeakPolarHBondContact O-CD1 3.24Å; W801-L804 WeakPolarHBondContact O-CG 3.44Å; W801-L804 PolarHBondContact O-N 3.04Å; W801-L804 VanDerWaalsContact O-N 3.14Å
802	T	98.1	Very high	95.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-66.3	-23.6	176.2	-62.9	0	0	0	0	112.2	I732 V771 L781 W782 Y785 G800 L804 V805	I732-T802 HydrophobicContact CG1-CG2 4.18Å; V771-T802 HydrophobicContact CG1-CG2 4.32Å; L781-T802 HydrophobicContact CB-CG2 3.85Å; L781-T802 HydrophobicContact CD1-CG2 4.39Å; L781-T802 HydrophobicContact CD2-CG2 4.16Å; L781-T802 HydrophobicContact CG-CG2 4.35Å; W782-T802 WeakPolarHBondContact O-CB 3.13Å; W782-T802 WeakPolarHBondContact O-CG2 3.22Å; W782-T802 PolarHBondContact O-OG1 3.09Å; Y785-T802 HydrophobicContact CE2-CG2 4.28Å; Y785-T802 WeakPolarHBondContact OH-CG2 3.29Å; G800-T802 PolarHBondContact O-N 3.38Å; T802-L804 PolarHBondContact O-N 3.31Å; T802-L804 VanDerWaalsContact O-N 3.15Å; T802-V805 WeakPolarHBondContact O-CG1 3.25Å; T802-V805 PolarHBondContact O-N 2.88Å; T802-V805 VanDerWaalsContact O-N 3.15Å
803	S	97.8	Very high	95.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-66	-13.7	174.5	-59.7	0	0	0	0	113.5	A362 S799 G800 W801 V805 L806	A362-S803 PolarHBondContact O-OG 3.27Å; S799-S803 WeakPolarHBondContact CA-OG 3.15Å; S799-S803 PolarHBondContact O-OG 2.96Å; G800-S803 WeakPolarHBondContact O-CB 3.5Å; G800-S803 PolarHBondContact O-N 3.49Å; G800-S803 PolarHBondContact O-OG 2.89Å; W801-S803 PolarHBondContact O-N 3.05Å; S803-V805 PolarHBondContact O-N 3.24Å; S803-V805 VanDerWaalsContact O-N 3.1Å; S803-L806 WeakPolarHBondContact O-CB 3.42Å; S803-L806 PolarHBondContact O-N 3.16Å
804	L	98.5	Very high	94.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-62.1	-14.6	171.7	-63.3	170	0	0	0	113.1	F415 L418 I732 N733 Y736 W801 T802 L806 L807 M808	F415-L804 HydrophobicContact CB-CD1 4.25Å; F415-L804 HydrophobicContact CD1-CD1 3.74Å; F415-L804 HydrophobicContact CG-CD1 4.43Å; L418-L804 HydrophobicContact CB-CD2 3.79Å; L418-L804 HydrophobicContact CD1-CD1 4.35Å; L418-L804 HydrophobicContact CD1-CD2 4.07Å; I732-L804 HydrophobicContact CG2-CB 4.37Å; N733-L804 HydrophobicContact CB-CD1 4.42Å; Y736-L804 HydrophobicContact CD1-CD1 4.25Å; Y736-L804 HydrophobicContact CD2-CB 4.04Å; Y736-L804 HydrophobicContact CD2-CD2 4.43Å; Y736-L804 HydrophobicContact CG-CB 4.19Å; Y736-L804 HydrophobicContact CG-CD1 4Å; Y736-L804 HydrophobicContact CG-CD2 4.48Å; Y736-L804 HydrophobicContact CG-CG 4.46Å; W801-L804 HydrophobicContact CB-CD1 4.21Å; W801-L804 VanDerWaalsContact O-CB 3.25Å; W801-L804 WeakPolarHBondContact O-CB 3.26Å; W801-L804 WeakPolarHBondContact O-CD1 3.24Å; W801-L804 WeakPolarHBondContact O-CG 3.44Å; W801-L804 PolarHBondContact O-N 3.04Å; W801-L804 VanDerWaalsContact O-N 3.14Å; T802-L804 PolarHBondContact O-N 3.31Å; T802-L804 VanDerWaalsContact O-N 3.15Å; L804-L806 PolarHBondContact O-N 3.42Å; L804-L807 HydrophobicContact CD2-CD1 3.71Å; L804-L807 HydrophobicContact CD2-CG 4.49Å; L804-L807 PolarHBondContact O-N 2.77Å; L804-M808 HydrophobicContact CB-CE 4.5Å; L804-M808 WeakPolarHBondContact O-CG 3.43Å; L804-M808 PolarHBondContact O-N 3.07Å
805	V	98.3	Very high	95	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-53.3	-32.4	169.2	72.2	0	0	0	0	111.9	V768 V771 T802 S803 M808 M809	V768-V805 HydrophobicContact CB-CG2 4.45Å; V768-V805 HydrophobicContact CG1-CG2 4.45Å; V768-V805 HydrophobicContact CG2-CG2 4.14Å; V771-V805 HydrophobicContact CB-CG2 3.94Å; V771-V805 HydrophobicContact CG1-CB 4.04Å; V771-V805 HydrophobicContact CG1-CG1 3.98Å; V771-V805 HydrophobicContact CG1-CG2 3.86Å; V771-V805 HydrophobicContact CG2-CG2 4.33Å; T802-V805 WeakPolarHBondContact O-CG1 3.25Å; T802-V805 PolarHBondContact O-N 2.88Å; T802-V805 VanDerWaalsContact O-N 3.15Å; S803-V805 PolarHBondContact O-N 3.24Å; S803-V805 VanDerWaalsContact O-N 3.1Å; V805-M808 WeakPolarHBondContact O-CB 3.29Å; V805-M808 PolarHBondContact O-N 2.83Å; V805-M809 WeakPolarHBondContact O-CG 3.24Å; V805-M809 PolarHBondContact O-N 2.91Å
806	L	98.4	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.4	-45.5	174.9	174.6	54.4	0	0	0	111.7	F340 F344 L346 L363 L419 S803 L804 M808 M809 A810	F340-L806 HydrophobicContact CE2-CD1 4.32Å; F340-L806 HydrophobicContact CE2-CD2 3.96Å; F340-L806 HydrophobicContact CZ-CD1 3.94Å; F340-L806 HydrophobicContact CZ-CD2 4.4Å; F344-L806 HydrophobicContact CB-CD1 4.13Å; F344-L806 HydrophobicContact CD1-CD1 4.01Å; F344-L806 HydrophobicContact CD1-CD2 4.02Å; F344-L806 HydrophobicContact CD1-CG 3.79Å; F344-L806 HydrophobicContact CD2-CD1 4.43Å; F344-L806 HydrophobicContact CD2-CD2 4.09Å; F344-L806 HydrophobicContact CE1-CD2 3.82Å; F344-L806 HydrophobicContact CE1-CG 3.93Å; F344-L806 HydrophobicContact CE2-CD2 3.91Å; F344-L806 HydrophobicContact CG-CD1 3.92Å; F344-L806 HydrophobicContact CG-CD2 4.17Å; F344-L806 HydrophobicContact CG-CG 4.13Å; F344-L806 HydrophobicContact CZ-CD2 3.76Å; F344-L806 HydrophobicContact CZ-CG 4.39Å; L346-L806 HydrophobicContact CD1-CD1 3.9Å; L363-L806 HydrophobicContact CB-CD2 3.92Å; L419-L806 HydrophobicContact CD1-CB 4.42Å; L419-L806 HydrophobicContact CD1-CD2 3.82Å; L419-L806 HydrophobicContact CD1-CG 4.25Å; S803-L806 WeakPolarHBondContact O-CB 3.42Å; S803-L806 PolarHBondContact O-N 3.16Å; L804-L806 PolarHBondContact O-N 3.42Å; L806-M808 VanDerWaalsContact C-N 3.29Å; L806-M808 PolarHBondContact O-N 3.28Å; L806-M809 HydrophobicContact CB-CE 4.4Å; L806-M809 HydrophobicContact CD1-CE 4.14Å; L806-M809 PolarHBondContact O-N 3.15Å; L806-A810 WeakPolarHBondContact O-CB 3.45Å; L806-A810 PolarHBondContact O-N 3.36Å
807	L	98.2	Very high	95.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65	-36.1	176	-61.7	-175.2	0	0	0	111.8	F344 L418 L419 H422 Y736 L804 A810 E811 L812	F344-L807 HydrophobicContact CE1-CD2 3.99Å; L418-L807 HydrophobicContact CB-CD1 4.09Å; L418-L807 WeakPolarHBondContact O-CD1 3.38Å; L419-L807 HydrophobicContact CB-CD1 4.49Å; L419-L807 HydrophobicContact CD1-CD2 3.88Å; L419-L807 HydrophobicContact CD1-CG 4.14Å; H422-L807 HydrophobicContact CB-CD2 4.35Å; Y736-L807 HydrophobicContact CD2-CB 4.38Å; Y736-L807 HydrophobicContact CE2-CB 3.7Å; Y736-L807 HydrophobicContact CE2-CD1 3.77Å; Y736-L807 HydrophobicContact CE2-CG 4.42Å; L804-L807 HydrophobicContact CD2-CD1 3.71Å; L804-L807 HydrophobicContact CD2-CG 4.49Å; L804-L807 PolarHBondContact O-N 2.77Å; L807-A810 CarbonylContact O-C 3.38Å; L807-A810 PolarHBondContact O-N 2.92Å; L807-E811 WeakPolarHBondContact O-CA 3.46Å; L807-E811 PolarHBondContact O-N 3.07Å; L807-L812 HydrophobicContact CD2-CB 4.11Å; L807-L812 HydrophobicContact CD2-CD1 4.41Å; L807-L812 PolarHBondContact O-N 3.29Å
808	M	98.4	Very high	95.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.7	-45.6	173	-59.8	172.9	-169.1	0	0	111	I732 Y736 L739 R764 V767 V768 L804 V805 L806 E811	I732-M808 HydrophobicContact CG2-CE 3.54Å; I732-M808 WeakPolarHBondContact O-CE 3.41Å; Y736-M808 HydrophobicContact CD2-CE 4.34Å; Y736-M808 HydrophobicContact CD2-CG 4.25Å; Y736-M808 HydrophobicContact CG-CE 4.47Å; L739-M808 HydrophobicContact CD1-CB 4.34Å; L739-M808 HydrophobicContact CD1-CE 4.14Å; L739-M808 HydrophobicContact CD1-CG 3.71Å; L739-M808 HydrophobicContact CD1-SD 3.61Å; R764-M808 VanDerWaalsContact CZ-O 3.28Å; R764-M808 PolarHBondContact NE-O 3.35Å; R764-M808 PolarHBondContact NH2-O 3.39Å; V767-M808 HydrophobicContact CB-SD 4.35Å; V767-M808 HydrophobicContact CG1-CE 4.13Å; V767-M808 HydrophobicContact CG1-SD 3.59Å; V767-M808 VanDerWaalsContact CG1-SD 3.59Å; V768-M808 HydrophobicContact CG2-CB 3.76Å; V768-M808 HydrophobicContact CG2-SD 4.44Å; L804-M808 HydrophobicContact CB-CE 4.5Å; L804-M808 WeakPolarHBondContact O-CG 3.43Å; L804-M808 PolarHBondContact O-N 3.07Å; V805-M808 WeakPolarHBondContact O-CB 3.29Å; V805-M808 PolarHBondContact O-N 2.83Å; L806-M808 VanDerWaalsContact C-N 3.29Å; L806-M808 PolarHBondContact O-N 3.28Å; M808-E811 PolarHBondContact O-N 2.89Å
809	M	98.2	Very high	95.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.9	-42.8	175.4	-70.2	-174.3	-62.8	0	0	111.8	L346 Y351 F355 R764 V768 V805 L806 E811	L346-M809 HydrophobicContact CD1-CE 4.45Å; L346-M809 HydrophobicContact CD2-CB 3.83Å; Y351-M809 HydrophobicContact CE1-CG 4.25Å; Y351-M809 HydrophobicContact CE2-CB 4.13Å; Y351-M809 VanDerWaalsContact CE2-O 3.25Å; Y351-M809 WeakPolarHBondContact CE2-O 3.47Å; Y351-M809 PolarHBondContact OH-O 2.64Å; F355-M809 HydrophobicContact CB-SD 3.87Å; F355-M809 HydrophobicContact CD1-SD 3.78Å; F355-M809 HydrophobicContact CG-SD 4.33Å; R764-M809 PolarHBondContact NH2-O 3.33Å; V768-M809 HydrophobicContact CG1-CG 3.58Å; V768-M809 HydrophobicContact CG1-SD 4.1Å; V768-M809 HydrophobicContact CG2-CG 4.2Å; V805-M809 WeakPolarHBondContact O-CG 3.24Å; V805-M809 PolarHBondContact O-N 2.91Å; L806-M809 HydrophobicContact CB-CE 4.4Å; L806-M809 HydrophobicContact CD1-CE 4.14Å; L806-M809 PolarHBondContact O-N 3.15Å; M809-E811 PolarHBondContact O-N 3.3Å
810	A	97.8	Very high	95.9	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-75.7	-9.5	177.6	0	0	0	0	0	113.6	F344 L346 K349 L806 L807 L812	F344-A810 HydrophobicContact CB-CB 4.08Å; F344-A810 HydrophobicContact CD1-CB 4.11Å; F344-A810 VanDerWaalsContact O-CB 3.29Å; F344-A810 WeakPolarHBondContact O-CB 3.46Å; L346-A810 HydrophobicContact CD2-CB 4.3Å; K349-A810 WeakPolarHBondContact CE-O 3.45Å; L806-A810 WeakPolarHBondContact O-CB 3.45Å; L806-A810 PolarHBondContact O-N 3.36Å; L807-A810 CarbonylContact O-C 3.38Å; L807-A810 PolarHBondContact O-N 2.92Å; A810-L812 HydrophobicContact CB-CB 4.34Å; A810-L812 HydrophobicContact CB-CD1 3.52Å; A810-L812 HydrophobicContact CB-CG 3.68Å; A810-L812 PolarHBondContact O-N 3.38Å
811	E	96.9	Very high	96.5	Very high	62 Å²	62	11.1 Å²	11.1	29%	0.29	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	34	-174.2	-52.7	-178.1	-110.8	0	0	113.3	K349 Y760 R764 L807 M808 M809 Y813	K349-E811 IonicContact NZ-OE1 2.8Å; K349-E811 PolarHBondContact NZ-OE1 3.43Å; Y760-E811 WeakPolarHBondContact OH-CG 3.48Å; Y760-E811 PolarHBondContact OH-OE2 2.93Å; R764-E811 IonicContact NH2-OE1 3.54Å; L807-E811 WeakPolarHBondContact O-CA 3.46Å; L807-E811 PolarHBondContact O-N 3.07Å; M808-E811 PolarHBondContact O-N 2.89Å; M809-E811 PolarHBondContact O-N 3.3Å; E811-Y813 HydrophobicContact CB-CE2 4.11Å; E811-Y813 WeakPolarHBondContact O-CD2 3.36Å
812	L	95.5	Very high	96.4	Very high	41 Å²	41	11.4 Å²	11.4	22%	0.215	5%	0.054	C	C	.	.			trans	-96.5	113.8	179.4	-66.1	172.7	0	0	0	108.3	A343 F344 Y736 L807 A810	A343-L812 WeakPolarHBondContact O-CD1 3.49Å; F344-L812 HydrophobicContact CD1-CD1 3.93Å; F344-L812 HydrophobicContact CE1-CD1 4.46Å; Y736-L812 PolarHBondContact OH-O 3.43Å; L807-L812 HydrophobicContact CD2-CB 4.11Å; L807-L812 HydrophobicContact CD2-CD1 4.41Å; L807-L812 PolarHBondContact O-N 3.29Å; A810-L812 HydrophobicContact CB-CB 4.34Å; A810-L812 HydrophobicContact CB-CD1 3.52Å; A810-L812 HydrophobicContact CB-CG 3.68Å; A810-L812 PolarHBondContact O-N 3.38Å
813	Y	94	Very high	96.3	Very high	31 Å²	31	12.3 Å²	12.3	12%	0.122	6%	0.059	C	C	.	.			trans	-135.8	151.2	-175.5	-55.9	-71.8	0	0	0	111.5	Y736 L739 H743 Y760 E811	Y736-Y813 HydrophobicContact CD2-CD1 4.25Å; Y736-Y813 HydrophobicContact CD2-CE1 4.26Å; Y736-Y813 AromaticContact CE2-CD1 3.7Å; Y736-Y813 HydrophobicContact CE2-CD1 3.7Å; Y736-Y813 HydrophobicContact CE2-CE1 4.07Å; L739-Y813 HydrophobicContact CB-CE1 3.84Å; H743-Y813 HydrophobicContact CB-CD2 3.83Å; H743-Y813 HydrophobicContact CB-CE2 4.04Å; H743-Y813 AromaticContact CD2-CD2 3.76Å; H743-Y813 AromaticContact CG-CD2 3.66Å; H743-Y813 AromaticContact CG-CE2 3.93Å; Y760-Y813 AromaticContact CE2-CE2 3.68Å; Y760-Y813 HydrophobicContact CE2-CE2 3.68Å; Y760-Y813 AromaticContact CE2-CZ 3.75Å; Y760-Y813 WeakPolarHBondContact CE2-OH 3.35Å; Y760-Y813 AromaticContact CZ-CE2 3.98Å; Y760-Y813 WeakPolarHBondContact OH-CE2 3.32Å; Y760-Y813 PolarHBondContact OH-OH 2.78Å; E811-Y813 HydrophobicContact CB-CE2 4.11Å; E811-Y813 WeakPolarHBondContact O-CD2 3.36Å
814	E	83.7	Confident	96.2	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.037	6%	0.064	C	C	.	.			trans	-72.4	0	-170.9	-54.4	-53.8	-170.5	0	0	118	L418 Y478 S482 K485 R676 Y736	L418-E814 WeakPolarHBondContact CA-OE1 3.27Å; L418-E814 WeakPolarHBondContact CB-OE1 3.28Å; L418-E814 HydrophobicContact CD2-CG 3.72Å; L418-E814 WeakPolarHBondContact CD2-OE1 2.97Å; Y478-E814 HydrophobicContact CD1-CG 4.36Å; Y478-E814 HydrophobicContact CE1-CB 4.13Å; Y478-E814 HydrophobicContact CE1-CG 3.74Å; Y478-E814 HydrophobicContact CE2-CB 4.22Å; S482-E814 WeakPolarHBondContact CB-OE2 3.25Å; S482-E814 PolarHBondContact OG-OE2 2.92Å; K485-E814 PolarHBondContact NZ-O 3.09Å; K485-E814 PolarHBondContact NZ-OXT 2.92Å; R676-E814 PolarHBondContact NH1-O 3.42Å; R676-E814 PolarHBondContact NH2-O 2.81Å; Y736-E814 HydrophobicContact CE1-CG 4.48Å

Retrieved 814 of 814 residues in 686.1 ms (Link to these results)

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