A0A061I2B2_CRIGR Loading...

Toll-like receptor 5

Pattern recognition receptor (PRR) located on the cell surface that participates in the activation of innate immunity and inflammatory response. Recognizes small molecular motifs named pathogen-associated molecular pattern (PAMPs) expressed by pathogens and microbe-associated molecular patterns (MAMPs) usually expressed by resident microbiota. Upon ligand binding such as bacterial flagellins, recruits intracellular adapter proteins MYD88 and TRIF leading to NF-kappa-B activation, cytokine secretion and induction of the inflammatory response. Plays thereby an important role in the relationship between the intestinal epithelium and enteric microbes and contributes to the gut microbiota composition throughout life.

AlphaFold DB , UniProt , Accession A0A061I2B2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tlr5, Length 900 aa.

						>A0A061I2B2_CRIGR|A0A061I2B2|Tlr5
MLGIHDRHIRETPFAAEACRWMVSSLHQTSAATLELIDKHWIMVGQLGLLFGVIFMATPMLGLSPCSFDGQVALFHNCNLTQIPWVLHTTERLLLSFNYISVVNMTSFPFLEQLLLLELGAQFVPVAIGPEAFRNLPNLRILDLGQTQIEVLSLDAFQGLPHLVELRLFACGLSSAVLRDGYFRNLSSLVRLDLSGNEIHSLHLHSSFQGLNSLEDIDFSFNEISTVCEDELKPLQGRTLSFFGLKSTSLFSRVSVSWETCGNPFRGIWLGTLDLSSNGWTVDITGNFSSIIQGSQVSSLILTHHIMGSGFGFQNIKDPDQNTFAGLARSSVTILHLSHGYIFSLNSRVFETLKKLQLLNLASNKINKIADNAFYGLDSLQVLNISCNLLGELYNSNFYGMPKVAYIDLQKNHIGVIQRETFRSLKNLHTLDLRDNALKTVDFMPSILAVFLGGNKLADLTPIRFTASYIQLSENRLENLSDLYSLLRIPQLQFLILNQNRLSSCREVQAPSENLSLEQLFLSENMLQLAWETGSCWNVFNGLSRLQKLYLNNNYLNFLPPGVFSGLVSLRLLSLNANRLTTLSPDSLPANLETLDISRNQLFSPDPGSFASLRVLDMRHNEFVCQCELSPFIVWLNQTNVTLLGSPTDLYCMYPDSLLGVSLYDISTKDCDQEEASQTLKFSLFLLCTVTLTVLLVTTFIVIKFRGGCFLCYKTIQGLVLKDKVRSSEPSAYRYDAYFCFSSKDFEWAQNALLKHLDAQYSSRNRLRLCFEERDFIPGENHISNIQAAVWGSRKTVCLVSRQFLKDGWCLEAFRYAQSRGLSDLKNVLIVVVVGSLSQFQLMRHETIRGFLQKQQYLRWPEDLQDVGWFLNKLSGHILKEEKGEKRNNTMQLQTLTTIS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	27.8	Very low	235 Å²	235	175.8 Å²	175.8	100%	1.158	86%	0.86	S	S	*	*				0	122.2	0	-90.4	-177.6	-174.8	0	0	107.4
2	L	29.1	Very low	27.6	Very low	184 Å²	184	172.3 Å²	172.3	96%	0.963	86%	0.857	S	S	*	*			trans	61.6	128.7	168.8	-61.1	157.4	0	0	0	115.3
3	G	27.1	Very low	28.1	Very low	74 Å²	74	167.3 Å²	167.3	76%	0.763	85%	0.845	S	S	*	*			cis	157.6	119.6	9.4	0	0	0	0	0	107.6
4	I	29.5	Very low	28	Very low	159 Å²	159	166.9 Å²	166.9	82%	0.815	84%	0.835	S	S	*	*			trans	-52.7	134.7	-179.6	-64.4	155.3	0	0	0	113.5
5	H	28.4	Very low	27.9	Very low	155 Å²	155	163.2 Å²	163.2	72%	0.718	84%	0.841	S	S	*	*				-177.3	101	126.1	-104.5	-28.6	0	0	0	112.7
6	D	27.8	Very low	27.9	Very low	168 Å²	168	158.2 Å²	158.2	90%	0.898	83%	0.831	S	S	*	*			trans	-97.3	122.4	155.7	-105.9	-33.7	0	0	0	108
7	R	26.9	Very low	28	Very low	212 Å²	212	157.2 Å²	157.2	80%	0.8	82%	0.821	S	S	*	*			trans	-114.8	121.3	168.1	-91.5	-169.2	-169.3	-172.5	3.9	109.2	I9	R7-I9 PolarHBondContact O-N 3.1Å
8	H	26	Very low	28	Very low	184 Å²	184	154.1 Å²	154.1	85%	0.852	82%	0.822	S	S	*	*			trans	-44.8	122.4	165.1	-78	-59.1	0	0	0	113.1
9	I	24.7	Very low	27.9	Very low	156 Å²	156	152.3 Å²	152.3	80%	0.8	82%	0.821	S	S	*	*			trans	-88	108.1	157.4	-64.8	171.3	0	0	0	105.9	R7	R7-I9 PolarHBondContact O-N 3.1Å
10	R	25.6	Very low	28	Very low	229 Å²	229	154.5 Å²	154.5	86%	0.864	82%	0.817	S	S	*	*			trans	-87.7	111	164	-80.5	-173.9	-174.1	-174.4	1.9	107.4
11	E	29.3	Very low	27.9	Very low	178 Å²	178	155.7 Å²	155.7	83%	0.832	81%	0.811	S	S	*	*			trans	-71.2	123.9	161.2	-66.7	177.8	152.4	0	0	108.7
12	T	25.8	Very low	27.6	Very low	133 Å²	133	148.8 Å²	148.8	82%	0.816	78%	0.776	S	S	*	*			trans	-142.7	151.2	154.4	47.3	0	0	0	0	110.7
13	P	33.7	Very low	27.6	Very low	108 Å²	108	145.4 Å²	145.4	70%	0.701	76%	0.763	S	S	*	*			trans	-113.3	115.1	-152.7	33	-16.9	0	0	0	111.4
14	F	26.4	Very low	27.7	Very low	162 Å²	162	146.9 Å²	146.9	71%	0.711	76%	0.762	S	S	*	*			trans	-159.4	71.6	166.1	-101.1	-77.1	0	0	0	109.8
15	A	26.1	Very low	27.6	Very low	111 Å²	111	144.7 Å²	144.7	92%	0.917	76%	0.761	S	S	*	*			trans	-135.2	33.3	173.6	0	0	0	0	0	111.5
16	A	28.5	Very low	27.5	Very low	83 Å²	83	143.5 Å²	143.5	69%	0.686	76%	0.759	S	S	*	*	S	Bend	trans	-121.3	1.6	-169.5	0	0	0	0	0	116.3
17	E	29.3	Very low	27.5	Very low	142 Å²	142	142.1 Å²	142.1	66%	0.664	75%	0.747	S	S	*	*	S	Bend	trans	-122.6	-2.4	-175.4	-89.7	-178.2	152.8	0	0	117.3
18	A	27.5	Very low	27.6	Very low	101 Å²	101	140.5 Å²	140.5	84%	0.835	75%	0.748	S	S	*	*	S	Bend	trans	-92.8	-12.4	174.9	0	0	0	0	0	114.8	R20	A18-R20 VanDerWaalsContact C-N 3.32Å
19	C	26.9	Very low	27.6	Very low	120 Å²	120	138.1 Å²	138.1	81%	0.811	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-1.2	173.9	-84.1	0	0	0	0	114
20	R	29.4	Very low	27.8	Very low	196 Å²	196	136.3 Å²	136.3	74%	0.74	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-3	-172.6	-116.9	177.9	-147.7	-163.7	5.3	115.7	A18	A18-R20 VanDerWaalsContact C-N 3.32Å
21	W	27	Very low	27.8	Very low	180 Å²	180	129.2 Å²	129.2	68%	0.682	74%	0.738	S	S	*	*	S	Bend	trans	-123.8	4	-172.8	-108.9	68.2	0	0	0	117
22	M	25.2	Very low	27.7	Very low	89 Å²	89	122.7 Å²	122.7	44%	0.438	72%	0.715	S	S	.	*	S	Bend	trans	-113.4	-0	173.6	-89.8	-171.7	75.2	0	0	115.4	I496 F521	M22-I496 HydrophobicContact CE-CD1 3.33Å; M22-I496 HydrophobicContact CE-CG1 4.31Å; M22-I496 HydrophobicContact SD-CD1 4.39Å; M22-F521 HydrophobicContact CE-CZ 4.46Å; M22-F521 HydrophobicContact CG-CE1 4.4Å; M22-F521 HydrophobicContact CG-CZ 4.21Å; M22-F521 HydrophobicContact SD-CD1 4.41Å; M22-F521 HydrophobicContact SD-CE1 3.73Å; M22-F521 HydrophobicContact SD-CE2 4.29Å; M22-F521 HydrophobicContact SD-CZ 3.67Å
23	V	28.8	Very low	27.7	Very low	113 Å²	113	121.2 Å²	121.2	69%	0.685	71%	0.706	S	S	*	*	S	Bend	trans	-95.5	-1.9	173.9	-178	0	0	0	0	112.2
24	S	28	Very low	27.5	Very low	106 Å²	106	119.2 Å²	119.2	74%	0.741	69%	0.689	S	S	*	*	S	Bend	trans	-93.7	5.4	-172.7	-179.6	0	0	0	0	115.8
25	S	28.2	Very low	27.6	Very low	112 Å²	112	116.3 Å²	116.3	78%	0.783	68%	0.677	S	S	*	*	S	Bend	trans	-145.8	19.2	-175.4	-151.7	0	0	0	0	117.1
26	L	26.3	Very low	27.6	Very low	130 Å²	130	116 Å²	116	68%	0.681	66%	0.66	S	S	*	*	S	Bend	trans	-135	29.2	169.4	-97.2	160.3	0	0	0	112.9	Y469	L26-Y469 HydrophobicContact CD1-CD2 4.39Å; L26-Y469 HydrophobicContact CD1-CE2 4.17Å
27	H	28.7	Very low	27.6	Very low	139 Å²	139	116.9 Å²	116.9	64%	0.644	65%	0.652	S	S	*	*			trans	-109.5	77	166.2	-91.8	9	0	0	0	109.9
28	Q	27.5	Very low	27.6	Very low	179 Å²	179	112.6 Å²	112.6	84%	0.836	63%	0.634	S	S	*	*			trans	-147.3	120.7	151.6	-109.7	168.6	14.9	0	0	108.9
29	T	26.6	Very low	27.5	Very low	133 Å²	133	114.6 Å²	114.6	82%	0.816	62%	0.623	S	S	*	*	S	Bend	trans	89.2	98.8	167.1	70.9	0	0	0	0	118.2
30	S	28	Very low	27.6	Very low	119 Å²	119	114 Å²	114	83%	0.832	61%	0.608	S	S	*	*	S	Bend	trans	106.4	11	133.7	80.1	0	0	0	0	122.6
31	A	27.4	Very low	27.7	Very low	79 Å²	79	109.4 Å²	109.4	65%	0.653	59%	0.591	S	S	*	*	S	Bend	trans	-138.4	-4.1	170.6	0	0	0	0	0	116.6
32	A	25.3	Very low	27.9	Very low	41 Å²	41	104.7 Å²	104.7	34%	0.339	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	3.8	-175.6	0	0	0	0	0	115	L36	A32-L36 HydrophobicContact CB-CD1 4.13Å; A32-L36 WeakPolarHBondContact O-CD1 3.37Å
33	T	27.3	Very low	27.9	Very low	103 Å²	103	104.9 Å²	104.9	63%	0.632	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-7.6	-177.3	31	0	0	0	0	114.8	I37	T33-I37 WeakPolarHBondContact O-CD1 3.41Å; T33-I37 WeakPolarHBondContact O-CG1 3.44Å
34	L	29.2	Very low	28.1	Very low	65 Å²	65	102.8 Å²	102.8	34%	0.34	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	-28.2	178	-87.1	121.6	0	0	0	114.7	I334	L34-I334 HydrophobicContact CD1-CD1 3.36Å; L34-I334 HydrophobicContact CD2-CD1 3.47Å; L34-I334 VanDerWaalsContact CD2-CD1 3.47Å; L34-I334 HydrophobicContact CG-CD1 4Å
35	E	27.5	Very low	28.4	Very low	101 Å²	101	99.4 Å²	99.4	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-86.4	-17	175.1	-99.4	-173.6	171.8	0	0	114.3	K39	E35-K39 PolarHBondContact O-N 3.13Å
36	L	26.1	Very low	28.5	Very low	104 Å²	104	100.2 Å²	100.2	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-79.6	-20.9	168.9	-95.5	113	0	0	0	112.7	A32 H40	A32-L36 HydrophobicContact CB-CD1 4.13Å; A32-L36 WeakPolarHBondContact O-CD1 3.37Å; L36-H40 WeakPolarHBondContact O-CB 3.45Å; L36-H40 PolarHBondContact O-N 3.23Å
37	I	28.9	Very low	28.9	Very low	102 Å²	102	96.3 Å²	96.3	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-84.1	-18.7	176	-58.8	178.3	0	0	0	111.5	T33	T33-I37 WeakPolarHBondContact O-CD1 3.41Å; T33-I37 WeakPolarHBondContact O-CG1 3.44Å
38	D	29.3	Very low	29.4	Very low	53 Å²	53	90.9 Å²	90.9	28%	0.283	50%	0.501	S	S	.	.	H	α-helix	trans	-89.2	-30.9	168.9	-92.1	-23.6	0	0	0	112.6	I42	D38-I42 PolarHBondContact O-N 3.39Å
39	K	26.4	Very low	29.9	Very low	142 Å²	142	88 Å²	88	62%	0.617	49%	0.491	S	S	*	.	H	α-helix	trans	-80.8	-25.6	178.4	-74	179.7	179.5	168.7	0	113.5	E35 W41 M43	E35-K39 PolarHBondContact O-N 3.13Å; K39-W41 VanDerWaalsContact C-N 3.32Å; K39-M43 WeakPolarHBondContact O-CB 3.45Å; K39-M43 PolarHBondContact O-N 3.38Å
40	H	27.8	Very low	30.3	Very low	107 Å²	107	86.6 Å²	86.6	50%	0.495	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-33.8	171.9	-127.3	60.9	0	0	0	112.2	L36 V44	L36-H40 WeakPolarHBondContact O-CB 3.45Å; L36-H40 PolarHBondContact O-N 3.23Å; H40-V44 VanDerWaalsContact O-CG2 3.25Å; H40-V44 WeakPolarHBondContact O-CG2 3.49Å; H40-V44 PolarHBondContact O-N 3.13Å
41	W	32.5	Very low	31	Very low	100 Å²	100	86 Å²	86	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-88.7	-26.4	-169.9	-69.2	82.7	0	0	0	114.2	K39	K39-W41 VanDerWaalsContact C-N 3.32Å
42	I	30.3	Very low	31.8	Very low	81 Å²	81	83.1 Å²	83.1	42%	0.415	44%	0.438	S	S	.	.	H	α-helix	trans	-79.3	-30.3	165.7	-61	175.4	0	0	0	110.6	D38 Q46	D38-I42 PolarHBondContact O-N 3.39Å; I42-Q46 HydrophobicContact CG2-CG 4.38Å; I42-Q46 WeakPolarHBondContact O-CB 3.27Å; I42-Q46 WeakPolarHBondContact O-CG 3.09Å; I42-Q46 PolarHBondContact O-N 3.18Å; I42-Q46 VanDerWaalsContact O-N 3.09Å
43	M	26.4	Very low	32.5	Very low	94 Å²	94	86.1 Å²	86.1	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-77.9	-25.2	-178.8	-154.8	174.5	81.9	0	0	112.5	K39 L47	K39-M43 WeakPolarHBondContact O-CB 3.45Å; K39-M43 PolarHBondContact O-N 3.38Å; M43-L47 HydrophobicContact CB-CD1 4.26Å; M43-L47 HydrophobicContact CE-CD1 3.7Å; M43-L47 HydrophobicContact CG-CD1 3.6Å; M43-L47 HydrophobicContact CG-CG 3.91Å; M43-L47 WeakPolarHBondContact O-CA 3.16Å; M43-L47 WeakPolarHBondContact O-CB 3.02Å; M43-L47 VanDerWaalsContact O-CD1 3.22Å; M43-L47 WeakPolarHBondContact O-CD1 3.32Å; M43-L47 WeakPolarHBondContact O-CG 3.43Å; M43-L47 PolarHBondContact O-N 3.32Å; M43-L47 HydrophobicContact SD-CD1 4.39Å
44	V	32	Very low	33.1	Very low	69 Å²	69	85 Å²	85	42%	0.418	44%	0.442	S	S	.	.	H	α-helix	trans	-70.4	-38.9	173.9	170.6	0	0	0	0	112.2	H40 G48	H40-V44 VanDerWaalsContact O-CG2 3.25Å; H40-V44 WeakPolarHBondContact O-CG2 3.49Å; H40-V44 PolarHBondContact O-N 3.13Å; V44-G48 PolarHBondContact O-N 3.47Å
45	G	33.8	Very low	33.9	Very low	34 Å²	34	86.3 Å²	86.3	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-70.9	-37.5	172.6	0	0	0	0	0	113.6
46	Q	30.8	Very low	34.7	Very low	130 Å²	130	88 Å²	88	61%	0.607	45%	0.454	S	S	*	.	H	α-helix	trans	-78.4	-26.6	175.3	-70.9	-174.2	-23.2	0	0	113.1	I42 L50	I42-Q46 HydrophobicContact CG2-CG 4.38Å; I42-Q46 WeakPolarHBondContact O-CB 3.27Å; I42-Q46 WeakPolarHBondContact O-CG 3.09Å; I42-Q46 PolarHBondContact O-N 3.18Å; I42-Q46 VanDerWaalsContact O-N 3.09Å; Q46-L50 WeakPolarHBondContact O-CB 3.41Å; Q46-L50 PolarHBondContact O-N 2.66Å
47	L	35	Very low	35.4	Very low	47 Å²	47	85.6 Å²	85.6	25%	0.246	45%	0.449	C	S	.	.	H	α-helix	trans	-74.1	-31.9	171	-82.5	159.4	0	0	0	111.4	M43 L49 L50 F51	M43-L47 HydrophobicContact CB-CD1 4.26Å; M43-L47 HydrophobicContact CE-CD1 3.7Å; M43-L47 HydrophobicContact CG-CD1 3.6Å; M43-L47 HydrophobicContact CG-CG 3.91Å; M43-L47 WeakPolarHBondContact O-CA 3.16Å; M43-L47 WeakPolarHBondContact O-CB 3.02Å; M43-L47 VanDerWaalsContact O-CD1 3.22Å; M43-L47 WeakPolarHBondContact O-CD1 3.32Å; M43-L47 WeakPolarHBondContact O-CG 3.43Å; M43-L47 PolarHBondContact O-N 3.32Å; M43-L47 HydrophobicContact SD-CD1 4.39Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.75Å; L47-L50 CarbonylContact O-C 3.41Å; L47-L50 PolarHBondContact O-N 2.71Å; L47-F51 HydrophobicContact CB-CD2 3.95Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CD2 4.06Å; L47-F51 HydrophobicContact CD2-CE2 3.7Å; L47-F51 HydrophobicContact CG-CE2 4.42Å; L47-F51 WeakPolarHBondContact O-CA 3.4Å; L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 WeakPolarHBondContact O-CD2 2.94Å; L47-F51 PolarHBondContact O-N 2.99Å
48	G	39.1	Very low	36.2	Very low	25 Å²	25	82 Å²	82	26%	0.258	43%	0.432	S	S	.	.	H	α-helix	trans	-58.5	-41.7	172.7	0	0	0	0	0	112.2	V44 G52	V44-G48 PolarHBondContact O-N 3.47Å; G48-G52 PolarHBondContact O-N 2.84Å
49	L	39	Very low	37	Very low	120 Å²	120	84.8 Å²	84.8	63%	0.628	45%	0.453	S	S	*	.	H	α-helix	trans	-72.1	-39.6	172.3	-86.6	153.1	0	0	0	112.8	L47 G52 V53	L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.75Å; L49-G52 PolarHBondContact O-N 3.15Å; L49-V53 WeakPolarHBondContact O-CG2 2.95Å; L49-V53 PolarHBondContact O-N 2.01Å
50	L	34.4	Very low	37.8	Very low	102 Å²	102	85.9 Å²	85.9	53%	0.534	46%	0.463	S	S	.	.	H	α-helix	trans	-68.6	-38	177.4	-136.7	91.7	0	0	0	112.2	Q46 L47 V53 I54	Q46-L50 WeakPolarHBondContact O-CB 3.41Å; Q46-L50 PolarHBondContact O-N 2.66Å; L47-L50 CarbonylContact O-C 3.41Å; L47-L50 PolarHBondContact O-N 2.71Å; L50-V53 PolarHBondContact O-N 3.42Å; L50-I54 HydrophobicContact CD2-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 4.46Å; L50-I54 WeakPolarHBondContact O-CB 3.45Å; L50-I54 WeakPolarHBondContact O-CD1 3.41Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.78Å
51	F	43.3	Very low	38.4	Very low	106 Å²	106	86.9 Å²	86.9	47%	0.465	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-37.7	171.6	-84.3	-69.3	0	0	0	110.5	L47 V53 I54 F55	L47-F51 HydrophobicContact CB-CD2 3.95Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CD2 4.06Å; L47-F51 HydrophobicContact CD2-CE2 3.7Å; L47-F51 HydrophobicContact CG-CE2 4.42Å; L47-F51 WeakPolarHBondContact O-CA 3.4Å; L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 WeakPolarHBondContact O-CD2 2.94Å; L47-F51 PolarHBondContact O-N 2.99Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 3.21Å; F51-I54 PolarHBondContact O-N 3.23Å; F51-F55 HydrophobicContact CD1-CD2 4.2Å; F51-F55 AromaticContact CD1-CE2 3.99Å; F51-F55 HydrophobicContact CD1-CE2 3.99Å; F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.09Å; F51-F55 WeakPolarHBondContact O-CD2 3.4Å; F51-F55 PolarHBondContact O-N 3.45Å
52	G	43.3	Very low	38.9	Very low	19 Å²	19	85.8 Å²	85.8	20%	0.196	49%	0.491	C	S	.	.	H	α-helix	trans	-55.8	-45.1	168	0	0	0	0	0	112.1	G48 L49 M56	G48-G52 PolarHBondContact O-N 2.84Å; L49-G52 PolarHBondContact O-N 3.15Å; G52-M56 WeakPolarHBondContact O-CB 3.49Å; G52-M56 WeakPolarHBondContact O-CG 3.18Å; G52-M56 PolarHBondContact O-N 2.86Å
53	V	40.7	Very low	39.7	Very low	104 Å²	104	87.9 Å²	87.9	63%	0.63	50%	0.502	S	S	*	.	H	α-helix	trans	-71.2	-38.8	177.3	174.9	0	0	0	0	112.4	L49 L50 F51 A57	L49-V53 WeakPolarHBondContact O-CG2 2.95Å; L49-V53 PolarHBondContact O-N 2.01Å; L50-V53 PolarHBondContact O-N 3.42Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 3.21Å; V53-A57 PolarHBondContact O-N 3.06Å
54	I	40.1	Very low	41.1	Very low	81 Å²	81	87 Å²	87	42%	0.415	51%	0.506	S	S	.	.	H	α-helix	trans	-68.9	-36.2	177	-69.7	162.8	0	0	0	111.1	L50 F51 A57	L50-I54 HydrophobicContact CD2-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 4.46Å; L50-I54 WeakPolarHBondContact O-CB 3.45Å; L50-I54 WeakPolarHBondContact O-CD1 3.41Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.78Å; F51-I54 PolarHBondContact O-N 3.23Å; I54-A57 PolarHBondContact O-N 3.47Å
55	F	45.6	Very low	42.4	Very low	91 Å²	91	86.9 Å²	86.9	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-80	-28.2	176.3	-87.2	-90.2	0	0	0	113	F51 A57 T58	F51-F55 HydrophobicContact CD1-CD2 4.2Å; F51-F55 AromaticContact CD1-CE2 3.99Å; F51-F55 HydrophobicContact CD1-CE2 3.99Å; F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.09Å; F51-F55 WeakPolarHBondContact O-CD2 3.4Å; F51-F55 PolarHBondContact O-N 3.45Å; F55-A57 PolarHBondContact O-N 3.23Å; F55-T58 HydrophobicContact CB-CG2 4.31Å; F55-T58 HydrophobicContact CD1-CG2 3.57Å; F55-T58 HydrophobicContact CE1-CG2 4.05Å; F55-T58 HydrophobicContact CG-CG2 4.06Å; F55-T58 WeakPolarHBondContact O-CB 3.5Å; F55-T58 PolarHBondContact O-N 3.18Å; F55-T58 VanDerWaalsContact O-N 3.13Å; F55-T58 PolarHBondContact O-OG1 3.35Å
56	M	45	Very low	44.8	Very low	137 Å²	137	87.5 Å²	87.5	68%	0.675	50%	0.504	S	S	*	.	H	α-helix	trans	-64.6	-18.8	166.2	-72.6	-67.6	-148.5	0	0	112.4	G52	G52-M56 WeakPolarHBondContact O-CB 3.49Å; G52-M56 WeakPolarHBondContact O-CG 3.18Å; G52-M56 PolarHBondContact O-N 2.86Å
57	A	39.7	Very low	47.3	Very low	53 Å²	53	83.8 Å²	83.8	44%	0.438	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.5	173.8	0	0	0	0	0	114.7	V53 I54 F55 P59 M60	V53-A57 PolarHBondContact O-N 3.06Å; I54-A57 PolarHBondContact O-N 3.47Å; F55-A57 PolarHBondContact O-N 3.23Å; A57-P59 WeakPolarHBondContact O-CD 3.47Å; A57-M60 PolarHBondContact O-N 3.49Å
58	T	45.4	Very low	49.6	Very low	26 Å²	26	85.4 Å²	85.4	16%	0.16	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-66.8	-10.8	-174.8	48.2	0	0	0	0	119.2	F55 M60 L61	F55-T58 HydrophobicContact CB-CG2 4.31Å; F55-T58 HydrophobicContact CD1-CG2 3.57Å; F55-T58 HydrophobicContact CE1-CG2 4.05Å; F55-T58 HydrophobicContact CG-CG2 4.06Å; F55-T58 WeakPolarHBondContact O-CB 3.5Å; F55-T58 PolarHBondContact O-N 3.18Å; F55-T58 VanDerWaalsContact O-N 3.13Å; F55-T58 PolarHBondContact O-OG1 3.35Å; T58-M60 PolarHBondContact O-N 3.35Å; T58-L61 PolarHBondContact O-N 3.31Å; T58-L61 VanDerWaalsContact O-N 3.14Å
59	P	46.5	Very low	51.5	Low	112 Å²	112	91.4 Å²	91.4	73%	0.727	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-58.5	-16.2	168.1	-21.8	32.7	0	0	0	112.9	A57	A57-P59 WeakPolarHBondContact O-CD 3.47Å
60	M	42.9	Very low	53.4	Low	165 Å²	165	86.5 Å²	86.5	81%	0.813	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-87.7	-12.2	-179.9	-62.9	-68.6	115.7	0	0	115	A57 T58	A57-M60 PolarHBondContact O-N 3.49Å; T58-M60 PolarHBondContact O-N 3.35Å
61	L	41.3	Very low	55.9	Low	129 Å²	129	87.1 Å²	87.1	68%	0.675	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-3.3	-172.6	-74.3	170.6	0	0	0	115.6	T58 L63	T58-L61 PolarHBondContact O-N 3.31Å; T58-L61 VanDerWaalsContact O-N 3.14Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.92Å
62	G	42.2	Very low	58.1	Low	77 Å²	77	84.6 Å²	84.6	79%	0.794	50%	0.496	S	S	*	.			trans	68.1	14.5	169	0	0	0	0	0	116.9
63	L	47.9	Very low	60.4	Low	124 Å²	124	83.7 Å²	83.7	65%	0.649	49%	0.487	S	S	*	.			trans	-85.4	130.5	168.6	-75.9	161.1	0	0	0	109.7	L61	L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.92Å
64	S	54.8	Low	62.8	Low	77 Å²	77	81.7 Å²	81.7	54%	0.538	47%	0.472	S	S	.	.			trans	-65.5	125.9	173.1	-179.7	0	0	0	0	109.5	C66	S64-C66 PolarHBondContact O-N 3.01Å; S64-C66 VanDerWaalsContact O-N 3.16Å; S64-C66 PolarHBondContact OG-O 3.03Å
65	P	60.6	Low	65.3	Low	65 Å²	65	79.2 Å²	79.2	42%	0.422	46%	0.459	S	S	.	.	S	Bend	trans	-62.6	-22.7	-178.9	22.8	-31.5	0	0	0	112.9
66	C	82.4	Confident	67.4	Low	47 Å²	47	76.9 Å²	76.9	32%	0.318	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.9	174.9	-43.4	0	0	0	0	107.9	S64 L74 F75 C78	S64-C66 PolarHBondContact O-N 3.01Å; S64-C66 VanDerWaalsContact O-N 3.16Å; S64-C66 PolarHBondContact OG-O 3.03Å; C66-L74 CarbonylContact C-O 3.52Å; C66-L74 WeakPolarHBondContact CA-O 3.25Å; C66-F75 HydrophobicContact CB-CD1 4.03Å; C66-F75 HydrophobicContact CB-CE1 4.39Å; C66-C78 VanDerWaalsContact CA-SG 3.52Å; C66-C78 HydrophobicContact CB-CB 4.37Å; C66-C78 WeakPolarHBondContact CB-SG 3.33Å; C66-C78 WeakPolarHBondContact SG-CB 3.34Å; C66-C78 CovalentContact SG-SG 2.02Å; C66-C78 PolarHBondContact SG-SG 3.37Å
67	S	83.7	Confident	69.5	Low	53 Å²	53	73.1 Å²	73.1	37%	0.371	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.7	179.1	63.8	0	0	0	0	111.5	L74	S67-L74 PolarHBondContact N-O 3.37Å; S67-L74 PolarHBondContact O-N 3.13Å
68	F	83.8	Confident	71.9	Confident	81 Å²	81	71.7 Å²	71.7	36%	0.355	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	122.6	-177.1	178.4	-105.9	0	0	0	109.2	A73 L87	F68-A73 HydrophobicContact CD2-CB 3.71Å; F68-A73 HydrophobicContact CE2-CB 4.08Å; F68-L87 HydrophobicContact CE1-CB 4.46Å; F68-L87 HydrophobicContact CE1-CD1 3.5Å; F68-L87 VanDerWaalsContact CE1-CD1 3.5Å; F68-L87 HydrophobicContact CE1-CG 3.75Å; F68-L87 HydrophobicContact CZ-CB 3.86Å; F68-L87 HydrophobicContact CZ-CD1 3.66Å; F68-L87 HydrophobicContact CZ-CG 3.65Å
69	D	79.6	Confident	74.1	Confident	150 Å²	150	75.6 Å²	75.6	80%	0.802	44%	0.438	S	S	*	.			trans	-118.4	28.1	-179.7	-165.2	22.1	0	0	0	111.8	Q71 V72	D69-Q71 VanDerWaalsContact C-N 3.27Å; D69-Q71 PolarHBondContact O-N 3.06Å; D69-V72 PolarHBondContact N-O 2.97Å
70	G	77.7	Confident	76.3	Confident	18 Å²	18	72 Å²	72	19%	0.186	41%	0.413	C	S	.	.	S	Bend	trans	84.8	-44.7	176.9	0	0	0	0	0	115.4	T89	G70-T89 CarbonylContact O-C 3.41Å; G70-T89 PolarHBondContact O-OG1 3.05Å
71	Q	87.3	Confident	78.7	Confident	115 Å²	115	68.7 Å²	68.7	54%	0.537	40%	0.401	S	S	.	.	S	Bend	trans	-100.2	-34	178.6	-72.5	-176.9	-20.7	0	0	113.1	D69 E91 R92	D69-Q71 VanDerWaalsContact C-N 3.27Å; D69-Q71 PolarHBondContact O-N 3.06Å; Q71-E91 PolarHBondContact O-N 3.33Å; Q71-R92 PolarHBondContact O-N 3.43Å; Q71-R92 VanDerWaalsContact O-N 3.14Å
72	V	90.1	Very high	81.2	Confident	52 Å²	52	69.8 Å²	69.8	32%	0.315	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.3	179.9	-175.1	0	0	0	0	109.1	D69 L74 R92	D69-V72 PolarHBondContact N-O 2.97Å; V72-L74 HydrophobicContact CG1-CD2 3.67Å; V72-L74 HydrophobicContact CG1-CG 3.92Å; V72-R92 HydrophobicContact CG1-CB 4.27Å; V72-R92 HydrophobicContact CG2-CB 4.34Å
73	A	91.6	Very high	83.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	108.7	176.2	0	0	0	0	0	109.5	F68 F75 V86 T90 R92 L93 L94	F68-A73 HydrophobicContact CD2-CB 3.71Å; F68-A73 HydrophobicContact CE2-CB 4.08Å; A73-F75 HydrophobicContact CB-CD2 4.04Å; A73-F75 HydrophobicContact CB-CE2 3.78Å; A73-V86 HydrophobicContact CB-CG1 4.23Å; A73-T90 HydrophobicContact CB-CG2 3.89Å; A73-R92 PolarHBondContact N-O 3.47Å; A73-L93 HydrophobicContact CB-CD1 3.59Å; A73-L94 PolarHBondContact O-N 3.37Å
74	L	91.4	Very high	85.6	Confident	62 Å²	62	62.9 Å²	62.9	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.5	-179.3	-58.4	179.2	0	0	0	108.8	C66 S67 V72 L94	C66-L74 CarbonylContact C-O 3.52Å; C66-L74 WeakPolarHBondContact CA-O 3.25Å; S67-L74 PolarHBondContact N-O 3.37Å; S67-L74 PolarHBondContact O-N 3.13Å; V72-L74 HydrophobicContact CG1-CD2 3.67Å; V72-L74 HydrophobicContact CG1-CG 3.92Å; L74-L94 HydrophobicContact CD2-CB 4.44Å; L74-L94 HydrophobicContact CD2-CD1 3.37Å; L74-L94 HydrophobicContact CD2-CG 4.06Å
75	F	92.3	Very high	87.1	Confident	30 Å²	30	68 Å²	68	13%	0.132	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	51.2	-179.8	-68.4	-65.8	0	0	0	111.1	C66 A73 C78 L80 P84 V86 L93 L94 L95 N98	C66-F75 HydrophobicContact CB-CD1 4.03Å; C66-F75 HydrophobicContact CB-CE1 4.39Å; A73-F75 HydrophobicContact CB-CD2 4.04Å; A73-F75 HydrophobicContact CB-CE2 3.78Å; F75-C78 VanDerWaalsContact C-SG 3.51Å; F75-C78 VanDerWaalsContact CA-SG 3.54Å; F75-L80 HydrophobicContact CB-CD1 3.77Å; F75-L80 HydrophobicContact CD1-CD1 4.33Å; F75-L80 HydrophobicContact CG-CD1 4.16Å; F75-P84 HydrophobicContact CD1-CG 4.49Å; F75-P84 HydrophobicContact CD2-CG 3.69Å; F75-P84 HydrophobicContact CE2-CB 4.43Å; F75-P84 HydrophobicContact CE2-CG 3.72Å; F75-P84 HydrophobicContact CG-CG 4.1Å; F75-P84 HydrophobicContact CZ-CB 4.45Å; F75-P84 HydrophobicContact CZ-CG 4.18Å; F75-V86 HydrophobicContact CE2-CG1 3.85Å; F75-L93 HydrophobicContact CD2-CD1 4.04Å; F75-L93 HydrophobicContact CE2-CD1 4.45Å; F75-L94 CarbonylContact C-O 3.45Å; F75-L94 WeakPolarHBondContact CA-O 3.04Å; F75-L94 PolarHBondContact N-O 2.83Å; F75-L95 HydrophobicContact CB-CD2 3.8Å; F75-L95 HydrophobicContact CD2-CD2 4.18Å; F75-L95 HydrophobicContact CG-CD2 4.37Å; F75-N98 PolarHBondContact O-ND2 3.07Å
76	H	88.8	Confident	88.5	Confident	41 Å²	41	65.1 Å²	65.1	19%	0.19	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	134.6	177.4	-73.3	82.9	0	0	0	110.9	C78 L94 S96 F97 E118	H76-C78 PolarHBondContact O-N 3.24Å; H76-C78 PolarHBondContact O-SG 3.44Å; H76-L94 WeakPolarHBondContact CE1-CB 3.42Å; H76-S96 WeakPolarHBondContact CA-O 2.92Å; H76-F97 AromaticContact CD2-CD2 3.93Å; H76-E118 IonicContact NE2-OE1 3.5Å
77	N	89.3	Confident	88.7	Confident	59 Å²	59	66 Å²	66	32%	0.316	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.4	174.3	-160.3	29.8	0	0	0	113.4	N79 S96 F97	N77-N79 VanDerWaalsContact C-N 3.34Å; N77-S96 PolarHBondContact N-O 3Å; N77-F97 VanDerWaalsContact CA-O 3.26Å; N77-F97 WeakPolarHBondContact CA-O 3.33Å; N77-F97 HydrophobicContact CB-CB 4.21Å
78	C	90.3	Very high	89	Confident	23 Å²	23	68.6 Å²	68.6	16%	0.155	35%	0.346	C	S	.	.			trans	-94.1	7.8	-177.3	-71.3	0	0	0	0	112.7	C66 F75 H76 L80 N98	C66-C78 VanDerWaalsContact CA-SG 3.52Å; C66-C78 HydrophobicContact CB-CB 4.37Å; C66-C78 WeakPolarHBondContact CB-SG 3.33Å; C66-C78 WeakPolarHBondContact SG-CB 3.34Å; C66-C78 CovalentContact SG-SG 2.02Å; C66-C78 PolarHBondContact SG-SG 3.37Å; F75-C78 VanDerWaalsContact C-SG 3.51Å; F75-C78 VanDerWaalsContact CA-SG 3.54Å; H76-C78 PolarHBondContact O-N 3.24Å; H76-C78 PolarHBondContact O-SG 3.44Å; C78-L80 HydrophobicContact CB-CD1 3.91Å; C78-L80 HydrophobicContact CB-CD2 4.31Å; C78-L80 HydrophobicContact CB-CG 3.68Å; C78-L80 PolarHBondContact O-N 2.96Å; C78-N98 PolarHBondContact N-OD1 3.04Å
79	N	91.4	Very high	89.3	Confident	107 Å²	107	68.4 Å²	68.4	57%	0.572	35%	0.351	S	S	*	.			trans	53.2	33.8	-174.1	-64.2	-19.9	0	0	0	113.4	N77 N98 Y99	N77-N79 VanDerWaalsContact C-N 3.34Å; N79-N98 PolarHBondContact N-OD1 2.87Å; N79-Y99 HydrophobicContact CB-CE2 4.41Å; N79-Y99 WeakPolarHBondContact OD1-CE2 3.35Å
80	L	92.9	Very high	90	Very high	38 Å²	38	61.2 Å²	61.2	20%	0.199	31%	0.313	C	S	.	.			trans	-75.7	134.6	-178.9	-60.6	172.1	0	0	0	110.6	F75 C78 P84 L95 N98 Y99 I100	F75-L80 HydrophobicContact CB-CD1 3.77Å; F75-L80 HydrophobicContact CD1-CD1 4.33Å; F75-L80 HydrophobicContact CG-CD1 4.16Å; C78-L80 HydrophobicContact CB-CD1 3.91Å; C78-L80 HydrophobicContact CB-CD2 4.31Å; C78-L80 HydrophobicContact CB-CG 3.68Å; C78-L80 PolarHBondContact O-N 2.96Å; L80-P84 HydrophobicContact CD1-CG 3.9Å; L80-L95 HydrophobicContact CD1-CD2 4.12Å; L80-N98 HydrophobicContact CB-CB 4.16Å; L80-N98 PolarHBondContact N-OD1 3.25Å; L80-Y99 CarbonylContact O-C 3.3Å; L80-Y99 VanDerWaalsContact O-C 3.3Å; L80-Y99 WeakPolarHBondContact O-CA 3.12Å; L80-Y99 PolarHBondContact O-N 3.01Å; L80-I100 HydrophobicContact CB-CG1 4.5Å; L80-I100 PolarHBondContact O-N 3.23Å
81	T	94.2	Very high	90.9	Very high	94 Å²	94	63.3 Å²	63.3	58%	0.577	32%	0.318	S	S	*	.	S	Bend	trans	-103.4	-13.3	172.4	54.5	0	0	0	0	112.6
82	Q	92.8	Very high	91.3	Very high	153 Å²	153	64.6 Å²	64.6	72%	0.715	32%	0.318	S	S	*	.	S	Bend	trans	-136.6	157.9	178.5	-63.6	-177.8	-4.5	0	0	109.2
83	I	93.2	Very high	91.6	Very high	28 Å²	28	62.1 Å²	62.1	14%	0.144	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.7	124.5	176	-70.7	156.3	0	0	0	108.7	L95 I100 V103 F108	I83-L95 HydrophobicContact CG1-CD1 4.18Å; I83-L95 HydrophobicContact CG2-CD1 4.41Å; I83-I100 HydrophobicContact CG1-CD1 4.09Å; I83-I100 HydrophobicContact CG1-CG2 4.41Å; I83-V103 HydrophobicContact CD1-CG1 4.38Å; I83-F108 HydrophobicContact CD1-CD1 4.28Å; I83-F108 HydrophobicContact CD1-CD2 4.44Å; I83-F108 HydrophobicContact CD1-CE1 3.64Å; I83-F108 HydrophobicContact CD1-CE2 3.82Å; I83-F108 HydrophobicContact CD1-CZ 3.37Å; I83-F108 HydrophobicContact CG1-CE1 4.24Å; I83-F108 HydrophobicContact CG1-CZ 4.34Å; I83-F108 HydrophobicContact CG2-CD1 4.01Å; I83-F108 HydrophobicContact CG2-CE1 3.9Å
84	P	90.2	Very high	91.7	Very high	27 Å²	27	63.4 Å²	63.4	18%	0.175	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.7	156.2	-177.5	30.7	-33.7	0	0	0	110.6	F75 L80 V86 L95	F75-P84 HydrophobicContact CD1-CG 4.49Å; F75-P84 HydrophobicContact CD2-CG 3.69Å; F75-P84 HydrophobicContact CE2-CB 4.43Å; F75-P84 HydrophobicContact CE2-CG 3.72Å; F75-P84 HydrophobicContact CG-CG 4.1Å; F75-P84 HydrophobicContact CZ-CB 4.45Å; F75-P84 HydrophobicContact CZ-CG 4.18Å; L80-P84 HydrophobicContact CD1-CG 3.9Å; P84-V86 PolarHBondContact O-N 2.74Å; P84-L95 HydrophobicContact CG-CD2 3.95Å
85	W	86.8	Confident	91.9	Very high	186 Å²	186	60.5 Å²	60.5	71%	0.705	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-70.2	128.1	174.7	-166.2	86.9	0	0	0	110.3	L87	W85-L87 HydrophobicContact CH2-CD2 3.79Å; W85-L87 HydrophobicContact CZ3-CD2 3.63Å
86	V	88.4	Confident	91.9	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	29%	0.289	C	S	.	.			trans	-128.3	152.6	-179.2	-65.4	0	0	0	0	110.9	A73 F75 P84 L93 L111	A73-V86 HydrophobicContact CB-CG1 4.23Å; F75-V86 HydrophobicContact CE2-CG1 3.85Å; P84-V86 PolarHBondContact O-N 2.74Å; V86-L93 HydrophobicContact CG1-CD1 4.1Å; V86-L93 HydrophobicContact CG2-CD2 4.4Å; V86-L111 HydrophobicContact CG2-CD1 3.74Å; V86-L111 HydrophobicContact CG2-CD2 4.11Å
87	L	88.1	Confident	92.2	Very high	67 Å²	67	59.8 Å²	59.8	35%	0.351	29%	0.291	S	S	.	.			trans	-68	150.1	179.8	-61.9	177.3	0	0	0	111.3	F68 W85 T89 T90	F68-L87 HydrophobicContact CE1-CB 4.46Å; F68-L87 HydrophobicContact CE1-CD1 3.5Å; F68-L87 VanDerWaalsContact CE1-CD1 3.5Å; F68-L87 HydrophobicContact CE1-CG 3.75Å; F68-L87 HydrophobicContact CZ-CB 3.86Å; F68-L87 HydrophobicContact CZ-CD1 3.66Å; F68-L87 HydrophobicContact CZ-CG 3.65Å; W85-L87 HydrophobicContact CH2-CD2 3.79Å; W85-L87 HydrophobicContact CZ3-CD2 3.63Å; L87-T89 PolarHBondContact O-N 3.14Å; L87-T90 VanDerWaalsContact O-CB 3.31Å; L87-T90 WeakPolarHBondContact O-CB 3.41Å; L87-T90 PolarHBondContact O-N 3.27Å; L87-T90 PolarHBondContact O-OG1 3.18Å
88	H	88.8	Confident	92.4	Very high	107 Å²	107	57 Å²	57	50%	0.495	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.9	175.4	-57.8	-70.8	0	0	0	114.2	T90 F110	H88-T90 VanDerWaalsContact C-N 3.32Å; H88-F110 PolarHBondContact ND1-O 3.22Å
89	T	90.5	Very high	92.7	Very high	76 Å²	76	60.5 Å²	60.5	47%	0.466	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.9	175.4	56	0	0	0	0	113.8	G70 L87 E91	G70-T89 CarbonylContact O-C 3.41Å; G70-T89 PolarHBondContact O-OG1 3.05Å; L87-T89 PolarHBondContact O-N 3.14Å; T89-E91 PolarHBondContact O-N 3.39Å
90	T	94.3	Very high	93	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.26	C	S	.	.			trans	-68.4	122.6	-176.5	-52	0	0	0	0	110	A73 L87 H88 R92 L93 Q113 L114	A73-T90 HydrophobicContact CB-CG2 3.89Å; L87-T90 VanDerWaalsContact O-CB 3.31Å; L87-T90 WeakPolarHBondContact O-CB 3.41Å; L87-T90 PolarHBondContact O-N 3.27Å; L87-T90 PolarHBondContact O-OG1 3.18Å; H88-T90 VanDerWaalsContact C-N 3.32Å; T90-R92 WeakPolarHBondContact CG2-O 3.13Å; T90-L93 HydrophobicContact CG2-CB 4.46Å; T90-Q113 CarbonylContact O-C 3.5Å; T90-L114 HydrophobicContact CG2-CD1 4.06Å; T90-L114 WeakPolarHBondContact O-CA 3.32Å; T90-L114 WeakPolarHBondContact O-CD1 3.39Å; T90-L114 PolarHBondContact O-N 3.07Å
91	E	95.6	Very high	93.1	Very high	61 Å²	61	56.3 Å²	56.3	29%	0.285	27%	0.268	S	S	.	.			trans	-97.1	-30.5	177.7	-66	-178	-164.2	0	0	112.6	Q71 T89 Q113 L115 L116	Q71-E91 PolarHBondContact O-N 3.33Å; T89-E91 PolarHBondContact O-N 3.39Å; E91-Q113 WeakPolarHBondContact CA-O 3.4Å; E91-Q113 HydrophobicContact CG-CB 4.39Å; E91-L115 PolarHBondContact O-N 2.91Å; E91-L116 PolarHBondContact O-N 3.04Å
92	R	96.1	Very high	93.2	Very high	142 Å²	142	55.5 Å²	55.5	54%	0.536	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.7	-179	-55.6	-175.9	-173.4	-174.2	0.4	110.4	Q71 V72 A73 T90 L116	Q71-R92 PolarHBondContact O-N 3.43Å; Q71-R92 VanDerWaalsContact O-N 3.14Å; V72-R92 HydrophobicContact CG1-CB 4.27Å; V72-R92 HydrophobicContact CG2-CB 4.34Å; A73-R92 PolarHBondContact N-O 3.47Å; T90-R92 WeakPolarHBondContact CG2-O 3.13Å; R92-L116 WeakPolarHBondContact CA-O 3.41Å; R92-L116 HydrophobicContact CG-CB 4.31Å
93	L	95.9	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.9	179.8	177.1	56	0	0	0	109.6	A73 F75 V86 T90 L95 F108 L114 L116 L117 E118	A73-L93 HydrophobicContact CB-CD1 3.59Å; F75-L93 HydrophobicContact CD2-CD1 4.04Å; F75-L93 HydrophobicContact CE2-CD1 4.45Å; V86-L93 HydrophobicContact CG1-CD1 4.1Å; V86-L93 HydrophobicContact CG2-CD2 4.4Å; T90-L93 HydrophobicContact CG2-CB 4.46Å; L93-L95 HydrophobicContact CD1-CD1 4.13Å; L93-L95 HydrophobicContact CD1-CD2 4.15Å; L93-L95 HydrophobicContact CD1-CG 3.92Å; L93-L95 HydrophobicContact CD2-CD1 3.9Å; L93-L95 HydrophobicContact CG-CD1 3.8Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L93-F108 HydrophobicContact CD2-CD1 4.45Å; L93-F108 HydrophobicContact CD2-CE1 4.12Å; L93-L114 HydrophobicContact CB-CD1 3.7Å; L93-L114 HydrophobicContact CB-CD2 4.43Å; L93-L116 PolarHBondContact N-O 2.89Å; L93-L117 HydrophobicContact CB-CD1 4.08Å; L93-L117 HydrophobicContact CD2-CD1 3.91Å; L93-L117 HydrophobicContact CG-CD1 3.9Å; L93-L117 WeakPolarHBondContact O-CA 3.39Å; L93-E118 PolarHBondContact O-N 2.85Å
94	L	95.6	Very high	93.5	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	-178.8	-45	-179.7	0	0	0	110.4	A73 L74 F75 H76 L116 E118	A73-L94 PolarHBondContact O-N 3.37Å; L74-L94 HydrophobicContact CD2-CB 4.44Å; L74-L94 HydrophobicContact CD2-CD1 3.37Å; L74-L94 HydrophobicContact CD2-CG 4.06Å; F75-L94 CarbonylContact C-O 3.45Å; F75-L94 WeakPolarHBondContact CA-O 3.04Å; F75-L94 PolarHBondContact N-O 2.83Å; H76-L94 WeakPolarHBondContact CE1-CB 3.42Å; L94-L116 HydrophobicContact CD2-CD2 3.31Å; L94-E118 HydrophobicContact CB-CB 4.41Å; L94-E118 HydrophobicContact CD2-CB 3.55Å
95	L	95.3	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	S	.	.			trans	-126.9	18.1	-169	-69.1	166.5	0	0	0	112.9	F75 L80 I83 P84 L93 N98 I100 L117 E118 L119 Q122	F75-L95 HydrophobicContact CB-CD2 3.8Å; F75-L95 HydrophobicContact CD2-CD2 4.18Å; F75-L95 HydrophobicContact CG-CD2 4.37Å; L80-L95 HydrophobicContact CD1-CD2 4.12Å; I83-L95 HydrophobicContact CG1-CD1 4.18Å; I83-L95 HydrophobicContact CG2-CD1 4.41Å; P84-L95 HydrophobicContact CG-CD2 3.95Å; L93-L95 HydrophobicContact CD1-CD1 4.13Å; L93-L95 HydrophobicContact CD1-CD2 4.15Å; L93-L95 HydrophobicContact CD1-CG 3.92Å; L93-L95 HydrophobicContact CD2-CD1 3.9Å; L93-L95 HydrophobicContact CG-CD1 3.8Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L95-N98 VanDerWaalsContact C-ND2 3.33Å; L95-N98 PolarHBondContact O-ND2 3.48Å; L95-I100 HydrophobicContact CB-CD1 4.35Å; L95-I100 HydrophobicContact CD1-CD1 4.49Å; L95-I100 HydrophobicContact CD2-CD1 4.41Å; L95-L117 HydrophobicContact CD1-CD1 4.22Å; L95-E118 WeakPolarHBondContact CB-O 3.21Å; L95-E118 PolarHBondContact N-O 3.14Å; L95-L119 HydrophobicContact CB-CD1 3.85Å; L95-L119 HydrophobicContact CD1-CD1 3.84Å; L95-Q122 PolarHBondContact O-NE2 3.4Å
96	S	92.5	Very high	94	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.014	25%	0.25	C	C	.	.			trans	-68.4	157.1	-176.4	-56	0	0	0	0	113.4	H76 N77 N98 E118 G120	H76-S96 WeakPolarHBondContact CA-O 2.92Å; N77-S96 PolarHBondContact N-O 3Å; S96-N98 PolarHBondContact O-ND2 3.16Å; S96-E118 WeakPolarHBondContact CB-OE1 3.42Å; S96-E118 VanDerWaalsContact OG-CD 3.28Å; S96-E118 VanDerWaalsContact OG-CG 3.31Å; S96-E118 WeakPolarHBondContact OG-CG 3.47Å; S96-E118 PolarHBondContact OG-OE1 3.26Å; S96-G120 WeakPolarHBondContact CA-O 3.38Å
97	F	93.8	Very high	94.3	Very high	55 Å²	55	50.4 Å²	50.4	24%	0.241	26%	0.258	C	S	.	.	S	Bend	trans	59.9	42.5	-178.8	-47.1	-72.7	0	0	0	113.5	H76 N77 A121 F123	H76-F97 AromaticContact CD2-CD2 3.93Å; N77-F97 VanDerWaalsContact CA-O 3.26Å; N77-F97 WeakPolarHBondContact CA-O 3.33Å; N77-F97 HydrophobicContact CB-CB 4.21Å; F97-A121 WeakPolarHBondContact CA-O 3.5Å; F97-A121 HydrophobicContact CD1-CB 3.97Å; F97-A121 HydrophobicContact CE1-CB 3.81Å; F97-A121 HydrophobicContact CZ-CB 4.27Å; F97-A121 PolarHBondContact N-O 3.08Å; F97-F123 HydrophobicContact CB-CE2 3.89Å; F97-F123 HydrophobicContact CB-CZ 4.02Å; F97-F123 HydrophobicContact CD1-CZ 4.31Å; F97-F123 VanDerWaalsContact O-CE2 3.26Å; F97-F123 WeakPolarHBondContact O-CE2 3.33Å
98	N	94.6	Very high	94.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-117.8	-171.2	174.4	-74	-69.3	0	0	0	111.1	F75 C78 N79 L80 L95 S96 I100 Q122 F123	F75-N98 PolarHBondContact O-ND2 3.07Å; C78-N98 PolarHBondContact N-OD1 3.04Å; N79-N98 PolarHBondContact N-OD1 2.87Å; L80-N98 HydrophobicContact CB-CB 4.16Å; L80-N98 PolarHBondContact N-OD1 3.25Å; L95-N98 VanDerWaalsContact C-ND2 3.33Å; L95-N98 PolarHBondContact O-ND2 3.48Å; S96-N98 PolarHBondContact O-ND2 3.16Å; N98-I100 HydrophobicContact CB-CD1 4.39Å; N98-I100 HydrophobicContact CB-CG1 4.29Å; N98-Q122 VanDerWaalsContact CB-OE1 3.28Å; N98-Q122 WeakPolarHBondContact O-CA 3.3Å; N98-Q122 PolarHBondContact O-OE1 2.89Å; N98-F123 WeakPolarHBondContact O-CD2 3.35Å; N98-F123 PolarHBondContact O-N 2.73Å
99	Y	96.6	Very high	94.7	Very high	97 Å²	97	44 Å²	44	38%	0.38	23%	0.23	S	C	.	.			trans	-116.9	30.9	-178.3	-59.5	-96.5	0	0	0	111	N79 L80 S101 F123 V124	N79-Y99 HydrophobicContact CB-CE2 4.41Å; N79-Y99 WeakPolarHBondContact OD1-CE2 3.35Å; L80-Y99 CarbonylContact O-C 3.3Å; L80-Y99 VanDerWaalsContact O-C 3.3Å; L80-Y99 WeakPolarHBondContact O-CA 3.12Å; L80-Y99 PolarHBondContact O-N 3.01Å; Y99-S101 PolarHBondContact O-N 3.04Å; Y99-F123 HydrophobicContact CD1-CB 3.81Å; Y99-F123 HydrophobicContact CD2-CD2 4.35Å; Y99-F123 HydrophobicContact CE1-CB 3.64Å; Y99-F123 HydrophobicContact CE1-CD2 4.08Å; Y99-F123 HydrophobicContact CE1-CG 4.15Å; Y99-F123 AromaticContact CE2-CD2 3.86Å; Y99-F123 HydrophobicContact CE2-CD2 3.86Å; Y99-F123 HydrophobicContact CE2-CE2 4.49Å; Y99-F123 HydrophobicContact CG-CB 4.47Å; Y99-F123 AromaticContact CZ-CD2 3.7Å; Y99-V124 VanDerWaalsContact C-CG2 3.49Å; Y99-V124 HydrophobicContact CD1-CG1 3.94Å; Y99-V124 WeakPolarHBondContact O-CG2 3.44Å
100	I	96.4	Very high	94.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.23	C	C	.	.			trans	-74.2	115.3	-179.6	-60.9	167.5	0	0	0	107.8	L80 I83 L95 N98 L119 V126	L80-I100 HydrophobicContact CB-CG1 4.5Å; L80-I100 PolarHBondContact O-N 3.23Å; I83-I100 HydrophobicContact CG1-CD1 4.09Å; I83-I100 HydrophobicContact CG1-CG2 4.41Å; L95-I100 HydrophobicContact CB-CD1 4.35Å; L95-I100 HydrophobicContact CD1-CD1 4.49Å; L95-I100 HydrophobicContact CD2-CD1 4.41Å; N98-I100 HydrophobicContact CB-CD1 4.39Å; N98-I100 HydrophobicContact CB-CG1 4.29Å; I100-L119 HydrophobicContact CD1-CD1 3.93Å; I100-V126 WeakPolarHBondContact O-CG2 3.31Å
101	S	95.4	Very high	94.9	Very high	54 Å²	54	45.6 Å²	45.6	38%	0.378	23%	0.23	S	C	.	.			trans	-103.9	-14.8	-175	58.6	0	0	0	0	115	Y99 V126 A127	Y99-S101 PolarHBondContact O-N 3.04Å; S101-V126 CarbonylContact O-C 3.58Å; S101-V126 WeakPolarHBondContact O-CA 3.37Å; S101-A127 PolarHBondContact O-N 3.46Å
102	V	96.4	Very high	94.8	Very high	78 Å²	78	47.5 Å²	47.5	47%	0.473	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.7	-176	-177.7	0	0	0	0	110.9
103	V	97.2	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.4	174.2	-166.3	0	0	0	0	108.8	I83 S107 F108 L119 V126 A127 I128 G129 A132 F133	I83-V103 HydrophobicContact CD1-CG1 4.38Å; V103-S107 WeakPolarHBondContact CA-OG 3.34Å; V103-F108 HydrophobicContact CG1-CE2 3.68Å; V103-F108 HydrophobicContact CG1-CZ 4.39Å; V103-L119 HydrophobicContact CG1-CD2 4.34Å; V103-L119 HydrophobicContact CG2-CD2 3.66Å; V103-V126 HydrophobicContact CG2-CG1 3.86Å; V103-A127 PolarHBondContact N-O 3.16Å; V103-I128 WeakPolarHBondContact O-CA 3.35Å; V103-G129 PolarHBondContact O-N 3.34Å; V103-A132 HydrophobicContact CG1-CB 4.15Å; V103-F133 HydrophobicContact CG1-CE1 4.02Å; V103-F133 HydrophobicContact CG1-CZ 4.28Å
104	N	95.6	Very high	94.8	Very high	59 Å²	59	45.2 Å²	45.2	32%	0.316	24%	0.235	S	C	.	.			trans	-136	178.1	-179.6	67.2	31.1	0	0	0	110.4	T106 S107	N104-T106 PolarHBondContact O-N 2.7Å; N104-T106 WeakPolarHBondContact OD1-CA 3.46Å; N104-T106 PolarHBondContact OD1-N 2.9Å; N104-T106 PolarHBondContact OD1-OG1 3.41Å; N104-S107 PolarHBondContact N-OG 3Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 2.95Å; N104-S107 PolarHBondContact O-OG 3.5Å; N104-S107 PolarHBondContact OD1-N 2.99Å; N104-S107 VanDerWaalsContact OD1-N 3.08Å; N104-S107 PolarHBondContact OD1-OG 3.16Å
105	M	93.6	Very high	94.9	Very high	89 Å²	89	47 Å²	47	44%	0.438	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.2	-178.2	-170.1	-176.6	68.1	0	0	114	N135	M105-N135 PolarHBondContact O-ND2 3.12Å
106	T	92.9	Very high	95	Very high	114 Å²	114	49 Å²	49	70%	0.699	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.4	178.3	59.8	0	0	0	0	114.1	N104 F108	N104-T106 PolarHBondContact O-N 2.7Å; N104-T106 WeakPolarHBondContact OD1-CA 3.46Å; N104-T106 PolarHBondContact OD1-N 2.9Å; N104-T106 PolarHBondContact OD1-OG1 3.41Å; T106-F108 VanDerWaalsContact C-N 3.31Å; T106-F108 PolarHBondContact O-N 3.11Å
107	S	94.6	Very high	95.3	Very high	27 Å²	27	49 Å²	49	19%	0.189	25%	0.254	C	S	.	.	S	Bend	trans	-66.9	-31.1	-177	-71.4	0	0	0	0	113.4	V103 N104	V103-S107 WeakPolarHBondContact CA-OG 3.34Å; N104-S107 PolarHBondContact N-OG 3Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 2.95Å; N104-S107 PolarHBondContact O-OG 3.5Å; N104-S107 PolarHBondContact OD1-N 2.99Å; N104-S107 VanDerWaalsContact OD1-N 3.08Å; N104-S107 PolarHBondContact OD1-OG 3.16Å
108	F	94.5	Very high	95.5	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	25%	0.254	C	S	.	.	S	Bend	trans	-113.2	134.8	176.2	-59.2	-80.6	0	0	0	110.6	I83 L93 V103 T106 L117 L119 F133 N135 L136	I83-F108 HydrophobicContact CD1-CD1 4.28Å; I83-F108 HydrophobicContact CD1-CD2 4.44Å; I83-F108 HydrophobicContact CD1-CE1 3.64Å; I83-F108 HydrophobicContact CD1-CE2 3.82Å; I83-F108 HydrophobicContact CD1-CZ 3.37Å; I83-F108 HydrophobicContact CG1-CE1 4.24Å; I83-F108 HydrophobicContact CG1-CZ 4.34Å; I83-F108 HydrophobicContact CG2-CD1 4.01Å; I83-F108 HydrophobicContact CG2-CE1 3.9Å; L93-F108 HydrophobicContact CD2-CD1 4.45Å; L93-F108 HydrophobicContact CD2-CE1 4.12Å; V103-F108 HydrophobicContact CG1-CE2 3.68Å; V103-F108 HydrophobicContact CG1-CZ 4.39Å; T106-F108 VanDerWaalsContact C-N 3.31Å; T106-F108 PolarHBondContact O-N 3.11Å; F108-L117 HydrophobicContact CE1-CD1 4.06Å; F108-L117 HydrophobicContact CE1-CD2 3.88Å; F108-L117 HydrophobicContact CE2-CD2 4.1Å; F108-L117 HydrophobicContact CZ-CD1 4.26Å; F108-L117 HydrophobicContact CZ-CD2 3.49Å; F108-L117 VanDerWaalsContact CZ-CD2 3.49Å; F108-L119 HydrophobicContact CZ-CD2 4.35Å; F108-F133 HydrophobicContact CD2-CD1 4.35Å; F108-F133 AromaticContact CE2-CD1 3.74Å; F108-F133 HydrophobicContact CE2-CD1 3.74Å; F108-F133 AromaticContact CE2-CE1 3.83Å; F108-F133 HydrophobicContact CE2-CE1 3.83Å; F108-F133 HydrophobicContact CZ-CD1 4.49Å; F108-F133 HydrophobicContact CZ-CE1 4.35Å; F108-N135 PolarHBondContact O-ND2 3.09Å; F108-L136 HydrophobicContact CB-CD2 3.96Å; F108-L136 HydrophobicContact CB-CG 4.41Å; F108-L136 HydrophobicContact CD1-CD1 4.43Å; F108-L136 HydrophobicContact CD1-CD2 4.48Å; F108-L136 HydrophobicContact CD2-CD1 4.1Å; F108-L136 HydrophobicContact CE2-CD1 4.37Å; F108-L136 HydrophobicContact CG-CD1 4.14Å; F108-L136 HydrophobicContact CG-CD2 4.21Å; F108-L136 HydrophobicContact CG-CG 4.43Å
109	P	91.5	Very high	95.5	Very high	37 Å²	37	49 Å²	49	24%	0.24	26%	0.255	C	S	.	.			trans	-64.5	170.2	162.9	29.9	-32.3	0	0	0	109.8	L111	P109-L111 HydrophobicContact CG-CD1 4.36Å; P109-L111 HydrophobicContact CG-CD2 3.94Å; P109-L111 HydrophobicContact CG-CG 4.01Å; P109-L111 WeakPolarHBondContact O-CG 3.46Å; P109-L111 PolarHBondContact O-N 3.42Å
110	F	93.8	Very high	95.3	Very high	109 Å²	109	44.5 Å²	44.5	48%	0.478	24%	0.239	S	C	.	.			trans	-66	108.1	172.7	-170.2	-102.2	0	0	0	110	H88 E112 P137	H88-F110 PolarHBondContact ND1-O 3.22Å; F110-E112 HydrophobicContact CD1-CB 4.44Å; F110-E112 HydrophobicContact CE1-CB 3.85Å; F110-E112 HydrophobicContact CE1-CG 4.36Å; F110-E112 HydrophobicContact CZ-CB 4.43Å; F110-P137 HydrophobicContact CE2-CG 3.91Å; F110-P137 HydrophobicContact CZ-CG 3.91Å
111	L	94.3	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.			trans	-117.3	83	-177.2	-62	175.5	0	0	0	109.4	V86 P109 Q113 L114 N135 L136	V86-L111 HydrophobicContact CG2-CD1 3.74Å; V86-L111 HydrophobicContact CG2-CD2 4.11Å; P109-L111 HydrophobicContact CG-CD1 4.36Å; P109-L111 HydrophobicContact CG-CD2 3.94Å; P109-L111 HydrophobicContact CG-CG 4.01Å; P109-L111 WeakPolarHBondContact O-CG 3.46Å; P109-L111 PolarHBondContact O-N 3.42Å; L111-Q113 VanDerWaalsContact C-N 3.28Å; L111-Q113 PolarHBondContact O-N 3.24Å; L111-L114 HydrophobicContact CB-CB 3.95Å; L111-L114 HydrophobicContact CD1-CD2 4.19Å; L111-L114 PolarHBondContact O-N 2.84Å; L111-N135 PolarHBondContact N-O 3.07Å; L111-L136 HydrophobicContact CB-CD2 3.77Å; L111-L136 HydrophobicContact CD1-CD2 4.01Å; L111-L136 HydrophobicContact CG-CD2 4.23Å
112	E	93.9	Very high	95.1	Very high	101 Å²	101	43 Å²	43	47%	0.472	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.8	-176.7	-168.9	176.6	-175.7	0	0	113.1	F110 N138	F110-E112 HydrophobicContact CD1-CB 4.44Å; F110-E112 HydrophobicContact CE1-CB 3.85Å; F110-E112 HydrophobicContact CE1-CG 4.36Å; F110-E112 HydrophobicContact CZ-CB 4.43Å; E112-N138 WeakPolarHBondContact CG-ND2 3.32Å; E112-N138 WeakPolarHBondContact O-CB 3.24Å; E112-N138 PolarHBondContact O-ND2 2.89Å
113	Q	95.8	Very high	95	Very high	95 Å²	95	44.1 Å²	44.1	44%	0.444	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.8	-177.5	-59.8	-58.3	-39.4	0	0	113.5	T90 E91 L111 L115	T90-Q113 CarbonylContact O-C 3.5Å; E91-Q113 WeakPolarHBondContact CA-O 3.4Å; E91-Q113 HydrophobicContact CG-CB 4.39Å; L111-Q113 VanDerWaalsContact C-N 3.28Å; L111-Q113 PolarHBondContact O-N 3.24Å; Q113-L115 PolarHBondContact O-N 3.34Å
114	L	97.1	Very high	95	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.			trans	-71.3	120	-174.1	-163.9	75.5	0	0	0	110.7	T90 L93 L111 L117 L136 N138 L139	T90-L114 HydrophobicContact CG2-CD1 4.06Å; T90-L114 WeakPolarHBondContact O-CA 3.32Å; T90-L114 WeakPolarHBondContact O-CD1 3.39Å; T90-L114 PolarHBondContact O-N 3.07Å; L93-L114 HydrophobicContact CB-CD1 3.7Å; L93-L114 HydrophobicContact CB-CD2 4.43Å; L111-L114 HydrophobicContact CB-CB 3.95Å; L111-L114 HydrophobicContact CD1-CD2 4.19Å; L111-L114 PolarHBondContact O-N 2.84Å; L114-L117 HydrophobicContact CD2-CB 4.19Å; L114-L136 HydrophobicContact CD2-CD1 4.11Å; L114-L136 HydrophobicContact CD2-CD2 3.77Å; L114-L136 HydrophobicContact CD2-CG 4.47Å; L114-N138 CarbonylContact O-C 3.55Å; L114-L139 HydrophobicContact CD2-CD1 4.07Å; L114-L139 HydrophobicContact CG-CD1 4.15Å; L114-L139 WeakPolarHBondContact O-CA 3.39Å; L114-L139 PolarHBondContact O-N 3.12Å
115	L	97.4	Very high	95	Very high	65 Å²	65	46.3 Å²	46.3	34%	0.34	24%	0.243	S	C	.	.			trans	-106.3	-32.8	-179.6	-60.8	179.6	0	0	0	112.3	E91 Q113 N138 R140 I141	E91-L115 PolarHBondContact O-N 2.91Å; Q113-L115 PolarHBondContact O-N 3.34Å; L115-N138 WeakPolarHBondContact CD2-O 3.2Å; L115-R140 HydrophobicContact CD2-CG 4.27Å; L115-R140 WeakPolarHBondContact O-CA 3.41Å; L115-R140 WeakPolarHBondContact O-CB 3.34Å; L115-R140 PolarHBondContact O-N 3.27Å; L115-I141 PolarHBondContact O-N 2.99Å
116	L	98.1	Very high	95.2	Very high	43 Å²	43	42.2 Å²	42.2	23%	0.225	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.4	-178.7	-176.1	160.4	0	0	0	110.3	E91 R92 L93 L94 E118 I141	E91-L116 PolarHBondContact O-N 3.04Å; R92-L116 WeakPolarHBondContact CA-O 3.41Å; R92-L116 HydrophobicContact CG-CB 4.31Å; L93-L116 PolarHBondContact N-O 2.89Å; L94-L116 HydrophobicContact CD2-CD2 3.31Å; L116-E118 HydrophobicContact CD2-CB 4.23Å; L116-I141 HydrophobicContact CD1-CD1 4.34Å; L116-I141 HydrophobicContact CG-CB 4.2Å; L116-I141 HydrophobicContact CG-CG2 4.46Å
117	L	97.9	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.7	172	175.5	58.1	0	0	0	109.3	L93 L95 F108 L114 L119 F133 L136 L139 I141 L142 D143	L93-L117 HydrophobicContact CB-CD1 4.08Å; L93-L117 HydrophobicContact CD2-CD1 3.91Å; L93-L117 HydrophobicContact CG-CD1 3.9Å; L93-L117 WeakPolarHBondContact O-CA 3.39Å; L95-L117 HydrophobicContact CD1-CD1 4.22Å; F108-L117 HydrophobicContact CE1-CD1 4.06Å; F108-L117 HydrophobicContact CE1-CD2 3.88Å; F108-L117 HydrophobicContact CE2-CD2 4.1Å; F108-L117 HydrophobicContact CZ-CD1 4.26Å; F108-L117 HydrophobicContact CZ-CD2 3.49Å; F108-L117 VanDerWaalsContact CZ-CD2 3.49Å; L114-L117 HydrophobicContact CD2-CB 4.19Å; L117-L119 HydrophobicContact CG-CB 4.49Å; L117-F133 HydrophobicContact CD2-CD1 4.03Å; L117-F133 HydrophobicContact CD2-CE1 4.02Å; L117-L136 HydrophobicContact CD2-CD1 3.7Å; L117-L139 HydrophobicContact CB-CD1 3.72Å; L117-L139 HydrophobicContact CB-CD2 4.29Å; L117-I141 PolarHBondContact N-O 2.66Å; L117-L142 HydrophobicContact CB-CD1 4.14Å; L117-L142 HydrophobicContact CD2-CD1 3.82Å; L117-L142 HydrophobicContact CG-CD1 3.97Å; L117-D143 PolarHBondContact O-N 3.32Å
118	E	97.6	Very high	95.6	Very high	52 Å²	52	36.9 Å²	36.9	24%	0.243	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.7	170.8	-165.3	-171.9	135.6	0	0	108.5	H76 L93 L94 L95 S96 L116 D143	H76-E118 IonicContact NE2-OE1 3.5Å; L93-E118 PolarHBondContact O-N 2.85Å; L94-E118 HydrophobicContact CB-CB 4.41Å; L94-E118 HydrophobicContact CD2-CB 3.55Å; L95-E118 WeakPolarHBondContact CB-O 3.21Å; L95-E118 PolarHBondContact N-O 3.14Å; S96-E118 WeakPolarHBondContact CB-OE1 3.42Å; S96-E118 VanDerWaalsContact OG-CD 3.28Å; S96-E118 VanDerWaalsContact OG-CG 3.31Å; S96-E118 WeakPolarHBondContact OG-CG 3.47Å; S96-E118 PolarHBondContact OG-OE1 3.26Å; L116-E118 HydrophobicContact CD2-CB 4.23Å; E118-D143 HydrophobicContact CB-CB 4.47Å; E118-D143 HydrophobicContact CG-CB 4.08Å
119	L	96	Very high	95.7	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.2	C	C	.	.			trans	-124.1	4.8	-179.5	-173.6	64.4	0	0	0	111.5	L95 I100 V103 F108 L117 Q122 F133 D143 L144	L95-L119 HydrophobicContact CB-CD1 3.85Å; L95-L119 HydrophobicContact CD1-CD1 3.84Å; I100-L119 HydrophobicContact CD1-CD1 3.93Å; V103-L119 HydrophobicContact CG1-CD2 4.34Å; V103-L119 HydrophobicContact CG2-CD2 3.66Å; F108-L119 HydrophobicContact CZ-CD2 4.35Å; L117-L119 HydrophobicContact CG-CB 4.49Å; L119-Q122 WeakPolarHBondContact O-CG 3.21Å; L119-Q122 PolarHBondContact O-NE2 3.44Å; L119-F133 HydrophobicContact CD2-CE1 4.44Å; L119-D143 PolarHBondContact N-O 3.19Å; L119-L144 HydrophobicContact CB-CD2 3.91Å; L119-L144 HydrophobicContact CD2-CD2 3.97Å; L119-L144 HydrophobicContact CG-CD2 4.19Å
120	G	91.1	Very high	95.9	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	21%	0.213	C	C	.	.			trans	-60.2	179.5	176.2	0	0	0	0	0	114.7	S96 Q122 D143 G145 T147	S96-G120 WeakPolarHBondContact CA-O 3.38Å; G120-Q122 VanDerWaalsContact C-N 3.3Å; G120-Q122 PolarHBondContact O-N 3.08Å; G120-Q122 PolarHBondContact O-NE2 3.04Å; G120-D143 PolarHBondContact N-O 3.3Å; G120-D143 VanDerWaalsContact N-O 3.1Å; G120-G145 CarbonylContact C-O 3.44Å; G120-G145 WeakPolarHBondContact CA-O 3.33Å; G120-T147 WeakPolarHBondContact CA-OG1 3.41Å
121	A	93.8	Very high	96	Very high	12 Å²	12	37 Å²	37	10%	0.099	20%	0.203	C	C	.	.			trans	50.5	41.9	173.3	0	0	0	0	0	114.5	F97 G145 Q146 T147	F97-A121 WeakPolarHBondContact CA-O 3.5Å; F97-A121 HydrophobicContact CD1-CB 3.97Å; F97-A121 HydrophobicContact CE1-CB 3.81Å; F97-A121 HydrophobicContact CZ-CB 4.27Å; F97-A121 PolarHBondContact N-O 3.08Å; A121-G145 PolarHBondContact N-O 3.47Å; A121-Q146 HydrophobicContact CB-CB 4.24Å; A121-T147 PolarHBondContact N-OG1 3.04Å
122	Q	95.1	Very high	96.2	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.061	20%	0.203	C	C	.	.			trans	-75.1	142	172.6	-57.6	-56.2	-56.9	0	0	110.7	L95 N98 L119 G120 V124 V126 T147	L95-Q122 PolarHBondContact O-NE2 3.4Å; N98-Q122 VanDerWaalsContact CB-OE1 3.28Å; N98-Q122 WeakPolarHBondContact O-CA 3.3Å; N98-Q122 PolarHBondContact O-OE1 2.89Å; L119-Q122 WeakPolarHBondContact O-CG 3.21Å; L119-Q122 PolarHBondContact O-NE2 3.44Å; G120-Q122 VanDerWaalsContact C-N 3.3Å; G120-Q122 PolarHBondContact O-N 3.08Å; G120-Q122 PolarHBondContact O-NE2 3.04Å; Q122-V124 PolarHBondContact O-N 3.31Å; Q122-V126 HydrophobicContact CB-CG2 3.93Å; Q122-V126 HydrophobicContact CG-CG2 3.91Å; Q122-T147 HydrophobicContact CB-CG2 4.3Å; Q122-T147 HydrophobicContact CG-CG2 4.34Å; Q122-T147 PolarHBondContact N-OG1 3.37Å
123	F	94.3	Very high	96.3	Very high	100 Å²	100	32.3 Å²	32.3	44%	0.439	18%	0.181	S	C	.	.	S	Bend	trans	-75.5	-8	178.2	-68.9	-61	0	0	0	113.8	F97 N98 Y99	F97-F123 HydrophobicContact CB-CE2 3.89Å; F97-F123 HydrophobicContact CB-CZ 4.02Å; F97-F123 HydrophobicContact CD1-CZ 4.31Å; F97-F123 VanDerWaalsContact O-CE2 3.26Å; F97-F123 WeakPolarHBondContact O-CE2 3.33Å; N98-F123 WeakPolarHBondContact O-CD2 3.35Å; N98-F123 PolarHBondContact O-N 2.73Å; Y99-F123 HydrophobicContact CD1-CB 3.81Å; Y99-F123 HydrophobicContact CD2-CD2 4.35Å; Y99-F123 HydrophobicContact CE1-CB 3.64Å; Y99-F123 HydrophobicContact CE1-CD2 4.08Å; Y99-F123 HydrophobicContact CE1-CG 4.15Å; Y99-F123 AromaticContact CE2-CD2 3.86Å; Y99-F123 HydrophobicContact CE2-CD2 3.86Å; Y99-F123 HydrophobicContact CE2-CE2 4.49Å; Y99-F123 HydrophobicContact CG-CB 4.47Å; Y99-F123 AromaticContact CZ-CD2 3.7Å
124	V	96.1	Very high	96.3	Very high	42 Å²	42	34 Å²	34	26%	0.255	18%	0.183	S	C	.	.	S	Bend	trans	-126.2	152.6	179.3	-62.9	0	0	0	0	109.9	Y99 Q122	Y99-V124 VanDerWaalsContact C-CG2 3.49Å; Y99-V124 HydrophobicContact CD1-CG1 3.94Å; Y99-V124 WeakPolarHBondContact O-CG2 3.44Å; Q122-V124 PolarHBondContact O-N 3.31Å
125	P	96.4	Very high	96.2	Very high	63 Å²	63	36.4 Å²	36.4	41%	0.409	20%	0.196	S	C	.	.			trans	-58.7	145.5	171.1	-23.1	33.8	0	0	0	112.1	Q148 E150	P125-Q148 CarbonylContact C-O 3.26Å; P125-Q148 WeakPolarHBondContact CA-O 3.13Å; P125-Q148 HydrophobicContact CB-CB 4.42Å; P125-E150 HydrophobicContact CB-CB 4.15Å
126	V	97.2	Very high	96.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.2	-174.3	-175	0	0	0	0	111.3	I100 S101 V103 Q122 I128 T147 Q148 I149 E150	I100-V126 WeakPolarHBondContact O-CG2 3.31Å; S101-V126 CarbonylContact O-C 3.58Å; S101-V126 WeakPolarHBondContact O-CA 3.37Å; V103-V126 HydrophobicContact CG2-CG1 3.86Å; Q122-V126 HydrophobicContact CB-CG2 3.93Å; Q122-V126 HydrophobicContact CG-CG2 3.91Å; V126-I128 HydrophobicContact CG1-CG1 4.11Å; V126-T147 HydrophobicContact CB-CG2 3.62Å; V126-T147 HydrophobicContact CG2-CG2 3.23Å; V126-Q148 PolarHBondContact N-O 2.96Å; V126-I149 WeakPolarHBondContact O-CA 3.14Å; V126-E150 PolarHBondContact O-N 3.17Å
127	A	97.6	Very high	96.1	Very high	27 Å²	27	32.7 Å²	32.7	22%	0.223	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.5	169.6	0	0	0	0	0	110.2	S101 V103 V151	S101-A127 PolarHBondContact O-N 3.46Å; V103-A127 PolarHBondContact N-O 3.16Å; A127-V151 HydrophobicContact CB-CB 4.15Å
128	I	97.7	Very high	96	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.8	177.8	-53.4	-179.8	0	0	0	109.2	V103 V126 A132 F133 L144 I149 V151 L152 S153 A156	V103-I128 WeakPolarHBondContact O-CA 3.35Å; V126-I128 HydrophobicContact CG1-CG1 4.11Å; I128-A132 HydrophobicContact CG2-CB 3.71Å; I128-F133 HydrophobicContact CG2-CE2 3.95Å; I128-F133 HydrophobicContact CG2-CZ 4.31Å; I128-L144 HydrophobicContact CD1-CD1 3.81Å; I128-L144 HydrophobicContact CD1-CD2 4.33Å; I128-I149 HydrophobicContact CD1-CD1 4.04Å; I128-I149 HydrophobicContact CD1-CG1 4.46Å; I128-V151 PolarHBondContact N-O 3.03Å; I128-L152 HydrophobicContact CB-CD1 4.03Å; I128-L152 HydrophobicContact CD1-CD1 4.19Å; I128-L152 HydrophobicContact CG2-CD1 4.28Å; I128-S153 WeakPolarHBondContact O-CB 3.31Å; I128-S153 PolarHBondContact O-N 2.9Å; I128-A156 HydrophobicContact CG2-CB 3.68Å
129	G	96.9	Very high	96.1	Very high	19 Å²	19	32.7 Å²	32.7	20%	0.196	18%	0.18	C	C	.	.			trans	-74	176.1	-179.3	0	0	0	0	0	114.2	V103 A132 S153 A156	V103-G129 PolarHBondContact O-N 3.34Å; G129-A132 WeakPolarHBondContact O-CB 3.49Å; G129-S153 VanDerWaalsContact C-CB 3.47Å; G129-A156 WeakPolarHBondContact O-CA 3.42Å
130	P	96.5	Very high	96.2	Very high	78 Å²	78	39.3 Å²	39.3	51%	0.506	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	140	176	27.6	-34	0	0	0	111.1	A132 S153 D155	P130-A132 PolarHBondContact O-N 2.8Å; P130-A132 VanDerWaalsContact O-N 3.09Å; P130-S153 WeakPolarHBondContact CA-OG 3.33Å; P130-D155 HydrophobicContact CB-CB 4.3Å
131	E	95.9	Very high	96.5	Very high	56 Å²	56	41.1 Å²	41.1	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	32.1	176.5	-56.5	-174.2	-174	0	0	113.9	F133 R134 D155 Q158	E131-F133 PolarHBondContact O-N 2.91Å; E131-R134 HydrophobicContact CB-CB 4.1Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 2.73Å; E131-R134 VanDerWaalsContact O-N 3.1Å; E131-R134 IonicContact OE1-NH1 3.19Å; E131-R134 WeakPolarHBondContact OE2-CD 3.3Å; E131-R134 IonicContact OE2-CZ 3.85Å; E131-R134 IonicContact OE2-NE 3.64Å; E131-R134 IonicContact OE2-NH1 3.66Å; E131-R134 PolarHBondContact OE2-NH1 2.8Å; E131-D155 WeakPolarHBondContact CA-O 3.36Å; E131-D155 PolarHBondContact N-O 3.26Å; E131-Q158 HydrophobicContact CG-CB 4.24Å
132	A	97.1	Very high	96.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.8	-171.6	0	0	0	0	0	113.8	V103 I128 G129 P130 A156	V103-A132 HydrophobicContact CG1-CB 4.15Å; I128-A132 HydrophobicContact CG2-CB 3.71Å; G129-A132 WeakPolarHBondContact O-CB 3.49Å; P130-A132 PolarHBondContact O-N 2.8Å; P130-A132 VanDerWaalsContact O-N 3.09Å; A132-A156 PolarHBondContact N-O 2.82Å
133	F	96.9	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	11.8	-176.1	-52	-73.7	0	0	0	113.8	V103 F108 L117 L119 I128 E131 N135 L136 L142 L144 A156 F157 L160	V103-F133 HydrophobicContact CG1-CE1 4.02Å; V103-F133 HydrophobicContact CG1-CZ 4.28Å; F108-F133 HydrophobicContact CD2-CD1 4.35Å; F108-F133 AromaticContact CE2-CD1 3.74Å; F108-F133 HydrophobicContact CE2-CD1 3.74Å; F108-F133 AromaticContact CE2-CE1 3.83Å; F108-F133 HydrophobicContact CE2-CE1 3.83Å; F108-F133 HydrophobicContact CZ-CD1 4.49Å; F108-F133 HydrophobicContact CZ-CE1 4.35Å; L117-F133 HydrophobicContact CD2-CD1 4.03Å; L117-F133 HydrophobicContact CD2-CE1 4.02Å; L119-F133 HydrophobicContact CD2-CE1 4.44Å; I128-F133 HydrophobicContact CG2-CE2 3.95Å; I128-F133 HydrophobicContact CG2-CZ 4.31Å; E131-F133 PolarHBondContact O-N 2.91Å; F133-N135 PolarHBondContact O-N 2.67Å; F133-N135 VanDerWaalsContact O-N 3.1Å; F133-L136 HydrophobicContact CB-CD1 4.26Å; F133-L136 HydrophobicContact CD1-CD1 4.11Å; F133-L136 WeakPolarHBondContact O-CB 3.35Å; F133-L136 PolarHBondContact O-N 3.27Å; F133-L142 HydrophobicContact CD1-CD1 4.45Å; F133-L142 HydrophobicContact CD1-CD2 4.41Å; F133-L142 HydrophobicContact CD2-CD2 3.9Å; F133-L142 HydrophobicContact CE1-CD1 4.07Å; F133-L142 HydrophobicContact CE1-CD2 4.32Å; F133-L142 HydrophobicContact CE2-CD2 3.81Å; F133-L142 HydrophobicContact CG-CD2 4.21Å; F133-L142 HydrophobicContact CZ-CD1 4.31Å; F133-L142 HydrophobicContact CZ-CD2 4.03Å; F133-L144 HydrophobicContact CE2-CD1 4.42Å; F133-L144 HydrophobicContact CZ-CD1 4.19Å; F133-L144 HydrophobicContact CZ-CD2 4.27Å; F133-A156 WeakPolarHBondContact CD2-O 3.48Å; F133-F157 HydrophobicContact CD2-CD1 4.04Å; F133-F157 HydrophobicContact CD2-CE1 4.42Å; F133-F157 AromaticContact CE2-CD1 4Å; F133-F157 HydrophobicContact CE2-CD1 4Å; F133-F157 AromaticContact CE2-CE1 3.91Å; F133-F157 HydrophobicContact CE2-CE1 3.91Å; F133-L160 HydrophobicContact CB-CD1 3.92Å; F133-L160 HydrophobicContact CB-CD2 3.86Å; F133-L160 HydrophobicContact CB-CG 4.11Å; F133-L160 HydrophobicContact CD2-CD1 4.43Å; F133-L160 HydrophobicContact CG-CD1 4.45Å
134	R	95.9	Very high	97.1	Very high	132 Å²	132	36 Å²	36	50%	0.498	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.7	-174.6	179	168.9	-178	176.3	5.2	114.4	E131 L136	E131-R134 HydrophobicContact CB-CB 4.1Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 2.73Å; E131-R134 VanDerWaalsContact O-N 3.1Å; E131-R134 IonicContact OE1-NH1 3.19Å; E131-R134 WeakPolarHBondContact OE2-CD 3.3Å; E131-R134 IonicContact OE2-CZ 3.85Å; E131-R134 IonicContact OE2-NE 3.64Å; E131-R134 IonicContact OE2-NH1 3.66Å; E131-R134 PolarHBondContact OE2-NH1 2.8Å; R134-L136 PolarHBondContact O-N 3.25Å
135	N	95.8	Very high	97	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	7.9	178.7	-74	-11.4	0	0	0	114	M105 F108 L111 F133 P137	M105-N135 PolarHBondContact O-ND2 3.12Å; F108-N135 PolarHBondContact O-ND2 3.09Å; L111-N135 PolarHBondContact N-O 3.07Å; F133-N135 PolarHBondContact O-N 2.67Å; F133-N135 VanDerWaalsContact O-N 3.1Å; N135-P137 VanDerWaalsContact C-CD 3.41Å; N135-P137 WeakPolarHBondContact O-CD 3.38Å
136	L	96.8	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.			trans	-120	62.1	-177.5	-49.7	178.7	0	0	0	111.2	F108 L111 L114 L117 F133 R134 N138 L139 L160	F108-L136 HydrophobicContact CB-CD2 3.96Å; F108-L136 HydrophobicContact CB-CG 4.41Å; F108-L136 HydrophobicContact CD1-CD1 4.43Å; F108-L136 HydrophobicContact CD1-CD2 4.48Å; F108-L136 HydrophobicContact CD2-CD1 4.1Å; F108-L136 HydrophobicContact CE2-CD1 4.37Å; F108-L136 HydrophobicContact CG-CD1 4.14Å; F108-L136 HydrophobicContact CG-CD2 4.21Å; F108-L136 HydrophobicContact CG-CG 4.43Å; L111-L136 HydrophobicContact CB-CD2 3.77Å; L111-L136 HydrophobicContact CD1-CD2 4.01Å; L111-L136 HydrophobicContact CG-CD2 4.23Å; L114-L136 HydrophobicContact CD2-CD1 4.11Å; L114-L136 HydrophobicContact CD2-CD2 3.77Å; L114-L136 HydrophobicContact CD2-CG 4.47Å; L117-L136 HydrophobicContact CD2-CD1 3.7Å; F133-L136 HydrophobicContact CB-CD1 4.26Å; F133-L136 HydrophobicContact CD1-CD1 4.11Å; F133-L136 WeakPolarHBondContact O-CB 3.35Å; F133-L136 PolarHBondContact O-N 3.27Å; R134-L136 PolarHBondContact O-N 3.25Å; L136-N138 VanDerWaalsContact C-N 3.31Å; L136-N138 PolarHBondContact O-N 3.2Å; L136-L139 HydrophobicContact CB-CB 4.09Å; L136-L139 HydrophobicContact CB-CD2 4.43Å; L136-L139 HydrophobicContact CD1-CD2 4.16Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 3.17Å; L136-L160 HydrophobicContact CB-CD2 4.38Å; L136-L160 WeakPolarHBondContact O-CD2 3.33Å
137	P	94.9	Very high	96.8	Very high	31 Å²	31	34.9 Å²	34.9	20%	0.201	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.8	-165.5	26.8	-36.5	0	0	0	114.7	F110 N135 H162	F110-P137 HydrophobicContact CE2-CG 3.91Å; F110-P137 HydrophobicContact CZ-CG 3.91Å; N135-P137 VanDerWaalsContact C-CD 3.41Å; N135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-H162 PolarHBondContact O-CD2 3.21Å
138	N	97.1	Very high	96.7	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	10.3	-177.8	-67.6	-40.5	0	0	0	113.6	E112 L114 L115 L136 R140 H162	E112-N138 WeakPolarHBondContact CG-ND2 3.32Å; E112-N138 WeakPolarHBondContact O-CB 3.24Å; E112-N138 PolarHBondContact O-ND2 2.89Å; L114-N138 CarbonylContact O-C 3.55Å; L115-N138 WeakPolarHBondContact CD2-O 3.2Å; L136-N138 VanDerWaalsContact C-N 3.31Å; L136-N138 PolarHBondContact O-N 3.2Å; N138-R140 PolarHBondContact O-N 2.92Å; N138-H162 PolarHBondContact OD1-CD2 2.9Å
139	L	98.2	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	-61.3	128.8	-179.3	-169.1	71.7	0	0	0	110.3	L114 L117 L136 L142 L160 H162 L163	L114-L139 HydrophobicContact CD2-CD1 4.07Å; L114-L139 HydrophobicContact CG-CD1 4.15Å; L114-L139 WeakPolarHBondContact O-CA 3.39Å; L114-L139 PolarHBondContact O-N 3.12Å; L117-L139 HydrophobicContact CB-CD1 3.72Å; L117-L139 HydrophobicContact CB-CD2 4.29Å; L136-L139 HydrophobicContact CB-CB 4.09Å; L136-L139 HydrophobicContact CB-CD2 4.43Å; L136-L139 HydrophobicContact CD1-CD2 4.16Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 3.17Å; L139-L142 HydrophobicContact CD2-CB 3.99Å; L139-L142 HydrophobicContact CD2-CD1 4.32Å; L139-L160 HydrophobicContact CB-CD2 4.09Å; L139-L160 HydrophobicContact CD2-CD2 4.05Å; L139-H162 CarbonylContact O-C 3.5Å; L139-L163 HydrophobicContact CD2-CD1 4.32Å; L139-L163 HydrophobicContact CG-CD1 4.35Å; L139-L163 VanDerWaalsContact O-CA 3.3Å; L139-L163 WeakPolarHBondContact O-CA 3.4Å; L139-L163 PolarHBondContact O-N 3Å
140	R	98.1	Very high	96.4	Very high	143 Å²	143	45.1 Å²	45.1	54%	0.54	21%	0.214	S	C	.	.			trans	-104.9	-38.6	-179.8	-65.8	-173.6	175	-131.9	-0.4	112.5	L115 N138 V164 E165	L115-R140 HydrophobicContact CD2-CG 4.27Å; L115-R140 WeakPolarHBondContact O-CA 3.41Å; L115-R140 WeakPolarHBondContact O-CB 3.34Å; L115-R140 PolarHBondContact O-N 3.27Å; N138-R140 PolarHBondContact O-N 2.92Å; R140-V164 HydrophobicContact CB-CG2 4.39Å; R140-V164 WeakPolarHBondContact O-CA 3.21Å; R140-V164 PolarHBondContact O-N 3.39Å; R140-E165 PolarHBondContact O-N 3.41Å
141	I	98.6	Very high	96.3	Very high	42 Å²	42	45.2 Å²	45.2	22%	0.215	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.3	-178	-53.9	-178.7	0	0	0	108.5	L115 L116 L117 E165	L115-I141 PolarHBondContact O-N 2.99Å; L116-I141 HydrophobicContact CD1-CD1 4.34Å; L116-I141 HydrophobicContact CG-CB 4.2Å; L116-I141 HydrophobicContact CG-CG2 4.46Å; L117-I141 PolarHBondContact N-O 2.66Å; I141-E165 WeakPolarHBondContact CA-O 3.28Å; I141-E165 HydrophobicContact CG1-CB 4.22Å; I141-E165 HydrophobicContact CG2-CB 4.32Å; I141-E165 HydrophobicContact CG2-CG 4.45Å
142	L	98.6	Very high	96.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.8	171.5	177.7	56.8	0	0	0	108.9	L117 F133 L139 L144 F157 L160 L163 E165 L166 R167	L117-L142 HydrophobicContact CB-CD1 4.14Å; L117-L142 HydrophobicContact CD2-CD1 3.82Å; L117-L142 HydrophobicContact CG-CD1 3.97Å; F133-L142 HydrophobicContact CD1-CD1 4.45Å; F133-L142 HydrophobicContact CD1-CD2 4.41Å; F133-L142 HydrophobicContact CD2-CD2 3.9Å; F133-L142 HydrophobicContact CE1-CD1 4.07Å; F133-L142 HydrophobicContact CE1-CD2 4.32Å; F133-L142 HydrophobicContact CE2-CD2 3.81Å; F133-L142 HydrophobicContact CG-CD2 4.21Å; F133-L142 HydrophobicContact CZ-CD1 4.31Å; F133-L142 HydrophobicContact CZ-CD2 4.03Å; L139-L142 HydrophobicContact CD2-CB 3.99Å; L139-L142 HydrophobicContact CD2-CD1 4.32Å; L142-L144 HydrophobicContact CD1-CD2 4.38Å; L142-L144 HydrophobicContact CD1-CG 4.17Å; L142-L144 HydrophobicContact CD2-CD1 4.17Å; L142-L144 HydrophobicContact CG-CD1 4.23Å; L142-L144 HydrophobicContact CG-CG 4.16Å; L142-F157 HydrophobicContact CD2-CD1 4.01Å; L142-F157 HydrophobicContact CD2-CE1 3.98Å; L142-L160 HydrophobicContact CD2-CD1 4.19Å; L142-L163 HydrophobicContact CB-CD1 3.78Å; L142-E165 PolarHBondContact N-O 3.47Å; L142-L166 HydrophobicContact CB-CD1 4Å; L142-L166 HydrophobicContact CD2-CD1 3.88Å; L142-L166 HydrophobicContact CG-CD1 3.97Å; L142-R167 PolarHBondContact O-N 3.46Å
143	D	98.3	Very high	96.3	Very high	14 Å²	14	45 Å²	45	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.9	177.8	-163	-23.8	0	0	0	110.9	L117 E118 L119 G120 G145 R167	L117-D143 PolarHBondContact O-N 3.32Å; E118-D143 HydrophobicContact CB-CB 4.47Å; E118-D143 HydrophobicContact CG-CB 4.08Å; L119-D143 PolarHBondContact N-O 3.19Å; G120-D143 PolarHBondContact N-O 3.3Å; G120-D143 VanDerWaalsContact N-O 3.1Å; D143-G145 PolarHBondContact OD1-N 3.17Å; D143-R167 HydrophobicContact CB-CB 4.36Å; D143-R167 WeakPolarHBondContact OD2-CD 3.33Å; D143-R167 IonicContact OD2-CZ 3.04Å; D143-R167 IonicContact OD2-NE 3.36Å; D143-R167 IonicContact OD2-NH1 3.55Å; D143-R167 PolarHBondContact OD2-NH1 3.25Å
144	L	97.8	Very high	96.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.234	C	C	.	.			trans	-117.1	11.5	176.9	-66.4	169.7	0	0	0	111.4	L119 I128 F133 L142 T147 F157 R167 L168 C171	L119-L144 HydrophobicContact CB-CD2 3.91Å; L119-L144 HydrophobicContact CD2-CD2 3.97Å; L119-L144 HydrophobicContact CG-CD2 4.19Å; I128-L144 HydrophobicContact CD1-CD1 3.81Å; I128-L144 HydrophobicContact CD1-CD2 4.33Å; F133-L144 HydrophobicContact CE2-CD1 4.42Å; F133-L144 HydrophobicContact CZ-CD1 4.19Å; F133-L144 HydrophobicContact CZ-CD2 4.27Å; L142-L144 HydrophobicContact CD1-CD2 4.38Å; L142-L144 HydrophobicContact CD1-CG 4.17Å; L142-L144 HydrophobicContact CD2-CD1 4.17Å; L142-L144 HydrophobicContact CG-CD1 4.23Å; L142-L144 HydrophobicContact CG-CG 4.16Å; L144-T147 VanDerWaalsContact O-CB 3.3Å; L144-T147 WeakPolarHBondContact O-CB 3.3Å; L144-T147 PolarHBondContact O-OG1 2.94Å; L144-F157 HydrophobicContact CD1-CE1 3.84Å; L144-F157 HydrophobicContact CD1-CZ 4.23Å; L144-R167 PolarHBondContact N-O 3.39Å; L144-L168 HydrophobicContact CB-CD2 3.97Å; L144-L168 HydrophobicContact CD1-CD2 3.79Å; L144-L168 HydrophobicContact CG-CD2 4.5Å; L144-C171 PolarHBondContact O-SG 3.13Å
145	G	95.5	Very high	96.3	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	154	-172	0	0	0	0	0	113.7	G120 A121 D143 T147 F169	G120-G145 CarbonylContact C-O 3.44Å; G120-G145 WeakPolarHBondContact CA-O 3.33Å; A121-G145 PolarHBondContact N-O 3.47Å; D143-G145 PolarHBondContact OD1-N 3.17Å; G145-T147 PolarHBondContact O-N 3.23Å; G145-F169 CarbonylContact C-O 3.44Å; G145-F169 WeakPolarHBondContact CA-O 3.31Å
146	Q	94.6	Very high	96.3	Very high	80 Å²	80	42.2 Å²	42.2	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.2	-176.6	-65.2	175.9	-20.7	0	0	114.6	A121 F169 A170	A121-Q146 HydrophobicContact CB-CB 4.24Å; Q146-F169 HydrophobicContact CG-CD2 4.14Å; Q146-F169 HydrophobicContact CG-CE2 3.6Å; Q146-F169 HydrophobicContact CG-CZ 4.45Å; Q146-F169 PolarHBondContact N-O 3.4Å; Q146-A170 WeakPolarHBondContact CA-O 3.13Å; Q146-A170 HydrophobicContact CG-CB 4.22Å
147	T	93.4	Very high	96.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	21%	0.211	C	C	.	.			trans	-109.3	121.5	174.6	-67.3	0	0	0	0	109.8	G120 A121 Q122 V126 L144 G145 I149 C171	G120-T147 WeakPolarHBondContact CA-OG1 3.41Å; A121-T147 PolarHBondContact N-OG1 3.04Å; Q122-T147 HydrophobicContact CB-CG2 4.3Å; Q122-T147 HydrophobicContact CG-CG2 4.34Å; Q122-T147 PolarHBondContact N-OG1 3.37Å; V126-T147 HydrophobicContact CB-CG2 3.62Å; V126-T147 HydrophobicContact CG2-CG2 3.23Å; L144-T147 VanDerWaalsContact O-CB 3.3Å; L144-T147 WeakPolarHBondContact O-CB 3.3Å; L144-T147 PolarHBondContact O-OG1 2.94Å; G145-T147 PolarHBondContact O-N 3.23Å; T147-I149 HydrophobicContact CG2-CG1 4.42Å; T147-I149 PolarHBondContact O-N 2.82Å; T147-C171 CarbonylContact O-C 3.4Å; T147-C171 WeakPolarHBondContact O-CA 3.44Å
148	Q	95.6	Very high	96.3	Very high	100 Å²	100	42 Å²	42	47%	0.467	21%	0.207	S	C	.	.			trans	-67.4	106.6	173.5	-169.2	71.2	9.8	0	0	110	P125 V126 E150	P125-Q148 CarbonylContact C-O 3.26Å; P125-Q148 WeakPolarHBondContact CA-O 3.13Å; P125-Q148 HydrophobicContact CB-CB 4.42Å; V126-Q148 PolarHBondContact N-O 2.96Å; Q148-E150 PolarHBondContact O-N 3.39Å
149	I	96.5	Very high	96	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	108.6	-179.3	-60.4	176	0	0	0	108.9	V126 I128 T147 L152 L168 C171 L173	V126-I149 WeakPolarHBondContact O-CA 3.14Å; I128-I149 HydrophobicContact CD1-CD1 4.04Å; I128-I149 HydrophobicContact CD1-CG1 4.46Å; T147-I149 HydrophobicContact CG2-CG1 4.42Å; T147-I149 PolarHBondContact O-N 2.82Å; I149-L152 HydrophobicContact CG2-CB 3.87Å; I149-L168 HydrophobicContact CD1-CD2 4.18Å; I149-C171 HydrophobicContact CD1-CB 3.85Å; I149-C171 HydrophobicContact CG1-CB 4.11Å; I149-C171 PolarHBondContact N-O 3.01Å; I149-L173 HydrophobicContact CB-CD2 4.25Å; I149-L173 HydrophobicContact CD1-CD2 4.26Å
150	E	92.3	Very high	95.9	Very high	149 Å²	149	41.3 Å²	41.3	70%	0.696	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-42.5	178.6	-173.3	-178.2	178.3	0	0	111.3	P125 V126 Q148	P125-E150 HydrophobicContact CB-CB 4.15Å; V126-E150 PolarHBondContact O-N 3.17Å; Q148-E150 PolarHBondContact O-N 3.39Å
151	V	94.6	Very high	95.7	Very high	79 Å²	79	37.4 Å²	37.4	48%	0.479	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.9	179.8	-179	0	0	0	0	109	A127 I128	A127-V151 HydrophobicContact CB-CB 4.15Å; I128-V151 PolarHBondContact N-O 3.03Å
152	L	96.9	Very high	95.6	Very high	22 Å²	22	39.9 Å²	39.9	12%	0.115	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.4	170.3	-174.6	63	0	0	0	109.3	I128 I149 A156 F157 L173 V177 Y182	I128-L152 HydrophobicContact CB-CD1 4.03Å; I128-L152 HydrophobicContact CD1-CD1 4.19Å; I128-L152 HydrophobicContact CG2-CD1 4.28Å; I149-L152 HydrophobicContact CG2-CB 3.87Å; L152-A156 HydrophobicContact CD1-CB 3.73Å; L152-F157 HydrophobicContact CD1-CE2 4.19Å; L152-F157 HydrophobicContact CD1-CZ 4.03Å; L152-F157 HydrophobicContact CD2-CE2 4.37Å; L152-L173 HydrophobicContact CD2-CD2 4.07Å; L152-V177 HydrophobicContact CD2-CG2 4.34Å; L152-Y182 HydrophobicContact CB-CE1 4.23Å; L152-Y182 HydrophobicContact CD2-CD1 3.66Å; L152-Y182 HydrophobicContact CD2-CE1 3.79Å; L152-Y182 HydrophobicContact CD2-CG 4.43Å; L152-Y182 HydrophobicContact CG-CD1 3.88Å; L152-Y182 HydrophobicContact CG-CE1 3.78Å; L152-Y182 WeakPolarHBondContact O-CE1 3.33Å
153	S	96.7	Very high	95.6	Very high	30 Å²	30	39.9 Å²	39.9	21%	0.21	22%	0.215	C	C	.	.			trans	-67.5	143.4	172.4	-175.7	0	0	0	0	111.5	I128 G129 P130 D155 A156	I128-S153 WeakPolarHBondContact O-CB 3.31Å; I128-S153 PolarHBondContact O-N 2.9Å; G129-S153 VanDerWaalsContact C-CB 3.47Å; P130-S153 WeakPolarHBondContact CA-OG 3.33Å; S153-D155 PolarHBondContact O-N 3.11Å; S153-D155 VanDerWaalsContact O-N 3.17Å; S153-A156 WeakPolarHBondContact O-CB 3.36Å; S153-A156 PolarHBondContact O-N 3.34Å
154	L	95.5	Very high	95.6	Very high	75 Å²	75	41.6 Å²	41.6	39%	0.393	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.9	175	-76.1	160.7	0	0	0	112.8	D180 Y182	L154-D180 HydrophobicContact CD2-CB 3.79Å; L154-D180 WeakPolarHBondContact CD2-O 3.13Å; L154-Y182 HydrophobicContact CD2-CD1 4.34Å; L154-Y182 HydrophobicContact CD2-CD2 4.19Å; L154-Y182 HydrophobicContact CD2-CE1 4.04Å; L154-Y182 HydrophobicContact CD2-CE2 3.89Å; L154-Y182 HydrophobicContact CD2-CG 4.43Å; L154-Y182 HydrophobicContact CG-CE1 4.33Å
155	D	95.8	Very high	95.7	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.262	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.1	-179.5	-73	-50.4	0	0	0	113.8	P130 E131 S153 F157 Q158 R184	P130-D155 HydrophobicContact CB-CB 4.3Å; E131-D155 WeakPolarHBondContact CA-O 3.36Å; E131-D155 PolarHBondContact N-O 3.26Å; S153-D155 PolarHBondContact O-N 3.11Å; S153-D155 VanDerWaalsContact O-N 3.17Å; D155-F157 VanDerWaalsContact C-N 3.28Å; D155-F157 PolarHBondContact O-N 3.13Å; D155-Q158 HydrophobicContact CB-CG 3.95Å; D155-Q158 PolarHBondContact O-N 3.47Å; D155-Q158 WeakPolarHBondContact OD1-CG 3.5Å; D155-R184 VanDerWaalsContact CG-NH2 3.31Å; D155-R184 IonicContact OD1-CZ 2.8Å; D155-R184 IonicContact OD1-NE 2.93Å; D155-R184 PolarHBondContact OD1-NE 3.39Å; D155-R184 IonicContact OD1-NH2 3.81Å; D155-R184 PolarHBondContact OD1-NH2 3.05Å; D155-R184 IonicContact OD2-NH2 3.46Å; D155-R184 PolarHBondContact OD2-NH2 2.8Å
156	A	96.8	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.4	-175.2	0	0	0	0	0	113.5	I128 G129 A132 F133 L152 S153	I128-A156 HydrophobicContact CG2-CB 3.68Å; G129-A156 WeakPolarHBondContact O-CA 3.42Å; A132-A156 PolarHBondContact N-O 2.82Å; F133-A156 WeakPolarHBondContact CD2-O 3.48Å; L152-A156 HydrophobicContact CD1-CB 3.73Å; S153-A156 WeakPolarHBondContact O-CB 3.36Å; S153-A156 PolarHBondContact O-N 3.34Å
157	F	96.9	Very high	96	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.7	-175.6	-53	-60.1	0	0	0	114.3	F133 L142 L144 L152 D155 L160 L166 L168 F183 L186	F133-F157 HydrophobicContact CD2-CD1 4.04Å; F133-F157 HydrophobicContact CD2-CE1 4.42Å; F133-F157 AromaticContact CE2-CD1 4Å; F133-F157 HydrophobicContact CE2-CD1 4Å; F133-F157 AromaticContact CE2-CE1 3.91Å; F133-F157 HydrophobicContact CE2-CE1 3.91Å; L142-F157 HydrophobicContact CD2-CD1 4.01Å; L142-F157 HydrophobicContact CD2-CE1 3.98Å; L144-F157 HydrophobicContact CD1-CE1 3.84Å; L144-F157 HydrophobicContact CD1-CZ 4.23Å; L152-F157 HydrophobicContact CD1-CE2 4.19Å; L152-F157 HydrophobicContact CD1-CZ 4.03Å; L152-F157 HydrophobicContact CD2-CE2 4.37Å; D155-F157 VanDerWaalsContact C-N 3.28Å; D155-F157 PolarHBondContact O-N 3.13Å; F157-L160 HydrophobicContact CB-CD1 4.44Å; F157-L166 HydrophobicContact CD1-CD1 4.48Å; F157-L166 HydrophobicContact CD2-CD2 4.36Å; F157-L166 HydrophobicContact CE1-CD1 4.12Å; F157-L166 HydrophobicContact CE2-CD2 4.33Å; F157-L166 HydrophobicContact CG-CD2 4.48Å; F157-L166 HydrophobicContact CZ-CD1 4.48Å; F157-L166 HydrophobicContact CZ-CD2 4.41Å; F157-L168 HydrophobicContact CE2-CD1 4.28Å; F157-L168 HydrophobicContact CZ-CD1 4.14Å; F157-L168 HydrophobicContact CZ-CD2 4Å; F157-F183 HydrophobicContact CD2-CD1 4.49Å; F157-F183 HydrophobicContact CE2-CE1 4.28Å; F157-L186 HydrophobicContact CB-CD1 4.34Å; F157-L186 HydrophobicContact CB-CD2 4.46Å
158	Q	94.8	Very high	96.2	Very high	25 Å²	25	41 Å²	41	12%	0.117	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	144.4	175.3	-62.5	-54.3	-55.2	0	0	110.9	E131 D155 R184 N185	E131-Q158 HydrophobicContact CG-CB 4.24Å; D155-Q158 HydrophobicContact CB-CG 3.95Å; D155-Q158 PolarHBondContact O-N 3.47Å; D155-Q158 WeakPolarHBondContact OD1-CG 3.5Å; Q158-R184 PolarHBondContact NE2-O 2.92Å; Q158-N185 PolarHBondContact OE1-ND2 3.42Å
159	G	90.9	Very high	96.3	Very high	34 Å²	34	38.3 Å²	38.3	35%	0.351	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	11.9	-177.9	0	0	0	0	0	115.3	P161	G159-P161 WeakPolarHBondContact O-CD 3.4Å
160	L	96.2	Very high	96.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	22%	0.219	C	C	.	.			trans	-112.2	69.6	179.6	-62.9	179.3	0	0	0	112.6	F133 L136 L139 L142 F157 H162 L163 L186	F133-L160 HydrophobicContact CB-CD1 3.92Å; F133-L160 HydrophobicContact CB-CD2 3.86Å; F133-L160 HydrophobicContact CB-CG 4.11Å; F133-L160 HydrophobicContact CD2-CD1 4.43Å; F133-L160 HydrophobicContact CG-CD1 4.45Å; L136-L160 HydrophobicContact CB-CD2 4.38Å; L136-L160 WeakPolarHBondContact O-CD2 3.33Å; L139-L160 HydrophobicContact CB-CD2 4.09Å; L139-L160 HydrophobicContact CD2-CD2 4.05Å; L142-L160 HydrophobicContact CD2-CD1 4.19Å; F157-L160 HydrophobicContact CB-CD1 4.44Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 3.48Å; L160-L163 HydrophobicContact CB-CB 4.06Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.01Å; L160-L186 HydrophobicContact CB-CD2 4.15Å
161	P	94.1	Very high	96.6	Very high	60 Å²	60	32.4 Å²	32.4	39%	0.39	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.9	-173.4	30	-36.8	0	0	0	114	G159 S188	G159-P161 WeakPolarHBondContact O-CD 3.4Å; P161-S188 VanDerWaalsContact O-CB 3.31Å; P161-S188 WeakPolarHBondContact O-CB 3.43Å; P161-S188 PolarHBondContact O-OG 3.44Å
162	H	96.7	Very high	96.7	Very high	94 Å²	94	29.6 Å²	29.6	44%	0.435	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	9.7	-176.2	-65.3	-55.6	0	0	0	113.8	P137 N138 L139 L160 V164	P137-H162 PolarHBondContact O-CD2 3.21Å; N138-H162 PolarHBondContact OD1-CD2 2.9Å; L139-H162 CarbonylContact O-C 3.5Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 3.48Å; H162-V164 PolarHBondContact O-N 2.62Å
163	L	98.2	Very high	96.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.17	C	C	.	.			trans	-66.9	121.6	179.9	-167.4	72.2	0	0	0	110.2	L139 L142 L160 L166 L186 S188 L189	L139-L163 HydrophobicContact CD2-CD1 4.32Å; L139-L163 HydrophobicContact CG-CD1 4.35Å; L139-L163 VanDerWaalsContact O-CA 3.3Å; L139-L163 WeakPolarHBondContact O-CA 3.4Å; L139-L163 PolarHBondContact O-N 3Å; L142-L163 HydrophobicContact CB-CD1 3.78Å; L160-L163 HydrophobicContact CB-CB 4.06Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.01Å; L163-L166 HydrophobicContact CD2-CB 4.07Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 HydrophobicContact CD2-CD2 4.44Å; L163-L186 HydrophobicContact CD2-CD1 4.44Å; L163-L186 HydrophobicContact CD2-CD2 4.27Å; L163-S188 CarbonylContact O-C 3.58Å; L163-S188 WeakPolarHBondContact O-CB 3.06Å; L163-L189 HydrophobicContact CD2-CD1 4.22Å; L163-L189 HydrophobicContact CG-CD1 4.27Å; L163-L189 VanDerWaalsContact O-CA 3.25Å; L163-L189 WeakPolarHBondContact O-CA 3.35Å; L163-L189 PolarHBondContact O-N 3.46Å; L163-L189 VanDerWaalsContact O-N 3.1Å
164	V	98.3	Very high	96.7	Very high	50 Å²	50	30.7 Å²	30.7	30%	0.303	18%	0.181	S	C	.	.			trans	-100.9	-40.1	-178.8	177.4	0	0	0	0	110.5	R140 H162 V190 R191	R140-V164 HydrophobicContact CB-CG2 4.39Å; R140-V164 WeakPolarHBondContact O-CA 3.21Å; R140-V164 PolarHBondContact O-N 3.39Å; H162-V164 PolarHBondContact O-N 2.62Å; V164-V190 HydrophobicContact CG1-CB 3.93Å; V164-V190 HydrophobicContact CG1-CG2 3.87Å; V164-V190 PolarHBondContact O-N 2.8Å; V164-R191 PolarHBondContact O-N 3.11Å
165	E	98.6	Very high	96.7	Very high	26 Å²	26	28.1 Å²	28.1	12%	0.121	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.6	-175.6	-177.6	171.6	-178.6	0	0	110.6	R140 I141 L142 R167 R191	R140-E165 PolarHBondContact O-N 3.41Å; I141-E165 WeakPolarHBondContact CA-O 3.28Å; I141-E165 HydrophobicContact CG1-CB 4.22Å; I141-E165 HydrophobicContact CG2-CB 4.32Å; I141-E165 HydrophobicContact CG2-CG 4.45Å; L142-E165 PolarHBondContact N-O 3.47Å; E165-R167 HydrophobicContact CG-CG 4.18Å; E165-R167 IonicContact OE1-CZ 3.28Å; E165-R167 IonicContact OE1-NE 2.63Å; E165-R167 PolarHBondContact OE1-NE 3.19Å; E165-R167 IonicContact OE1-NH2 3.44Å; E165-R167 PolarHBondContact OE1-NH2 3.27Å; E165-R167 IonicContact OE2-NH2 3.99Å; E165-R167 PolarHBondContact OE2-NH2 2.98Å; E165-R191 WeakPolarHBondContact CA-O 3.33Å; E165-R191 HydrophobicContact CB-CB 4.33Å; E165-R191 HydrophobicContact CG-CB 4.06Å; E165-R191 HydrophobicContact CG-CG 4.13Å; E165-R191 WeakPolarHBondContact OE1-CD 3.43Å; E165-R191 IonicContact OE1-NE 3.99Å
166	L	98.6	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.4	175.3	-179.5	56.8	0	0	0	109.2	L142 F157 L163 L168 F183 L186 L189 R191 L192 D193	L142-L166 HydrophobicContact CB-CD1 4Å; L142-L166 HydrophobicContact CD2-CD1 3.88Å; L142-L166 HydrophobicContact CG-CD1 3.97Å; F157-L166 HydrophobicContact CD1-CD1 4.48Å; F157-L166 HydrophobicContact CD2-CD2 4.36Å; F157-L166 HydrophobicContact CE1-CD1 4.12Å; F157-L166 HydrophobicContact CE2-CD2 4.33Å; F157-L166 HydrophobicContact CG-CD2 4.48Å; F157-L166 HydrophobicContact CZ-CD1 4.48Å; F157-L166 HydrophobicContact CZ-CD2 4.41Å; L163-L166 HydrophobicContact CD2-CB 4.07Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 HydrophobicContact CD2-CD2 4.44Å; L166-L168 HydrophobicContact CD1-CD1 4.44Å; L166-L168 HydrophobicContact CD1-CG 4.22Å; L166-L168 HydrophobicContact CD2-CD1 3.92Å; L166-L168 HydrophobicContact CG-CD1 3.98Å; L166-L168 HydrophobicContact CG-CG 4.08Å; L166-F183 HydrophobicContact CD2-CD1 3.88Å; L166-F183 HydrophobicContact CD2-CE1 3.71Å; L166-L186 HydrophobicContact CD2-CD1 4.31Å; L166-L189 HydrophobicContact CB-CD1 3.75Å; L166-R191 PolarHBondContact N-O 2.87Å; L166-L192 HydrophobicContact CB-CD1 4.24Å; L166-L192 HydrophobicContact CD2-CD1 4.14Å; L166-L192 HydrophobicContact CG-CD1 4.25Å; L166-D193 PolarHBondContact O-N 3.37Å
167	R	98.6	Very high	96.6	Very high	50 Å²	50	27 Å²	27	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.4	178.2	-62.6	171.7	-175.7	164.7	6.6	110.4	L142 D143 L144 E165 F169 D193	L142-R167 PolarHBondContact O-N 3.46Å; D143-R167 HydrophobicContact CB-CB 4.36Å; D143-R167 WeakPolarHBondContact OD2-CD 3.33Å; D143-R167 IonicContact OD2-CZ 3.04Å; D143-R167 IonicContact OD2-NE 3.36Å; D143-R167 IonicContact OD2-NH1 3.55Å; D143-R167 PolarHBondContact OD2-NH1 3.25Å; L144-R167 PolarHBondContact N-O 3.39Å; E165-R167 HydrophobicContact CG-CG 4.18Å; E165-R167 IonicContact OE1-CZ 3.28Å; E165-R167 IonicContact OE1-NE 2.63Å; E165-R167 PolarHBondContact OE1-NE 3.19Å; E165-R167 IonicContact OE1-NH2 3.44Å; E165-R167 PolarHBondContact OE1-NH2 3.27Å; E165-R167 IonicContact OE2-NH2 3.99Å; E165-R167 PolarHBondContact OE2-NH2 2.98Å; R167-F169 HydrophobicContact CB-CD1 4.04Å; R167-F169 HydrophobicContact CB-CE1 4.21Å; R167-D193 HydrophobicContact CG-CB 4.37Å
168	L	98.1	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.167	C	C	.	.			trans	-128.4	33.9	-179.9	-69	168	0	0	0	109.8	L144 I149 F157 L166 C171 L173 F183 D193 L194 N197	L144-L168 HydrophobicContact CB-CD2 3.97Å; L144-L168 HydrophobicContact CD1-CD2 3.79Å; L144-L168 HydrophobicContact CG-CD2 4.5Å; I149-L168 HydrophobicContact CD1-CD2 4.18Å; F157-L168 HydrophobicContact CE2-CD1 4.28Å; F157-L168 HydrophobicContact CZ-CD1 4.14Å; F157-L168 HydrophobicContact CZ-CD2 4Å; L166-L168 HydrophobicContact CD1-CD1 4.44Å; L166-L168 HydrophobicContact CD1-CG 4.22Å; L166-L168 HydrophobicContact CD2-CD1 3.92Å; L166-L168 HydrophobicContact CG-CD1 3.98Å; L166-L168 HydrophobicContact CG-CG 4.08Å; L168-C171 PolarHBondContact O-SG 3.18Å; L168-L173 HydrophobicContact CB-CD1 3.99Å; L168-L173 HydrophobicContact CD1-CD1 4.32Å; L168-L173 HydrophobicContact CD2-CD1 4.42Å; L168-L173 HydrophobicContact CG-CD1 4.49Å; L168-F183 HydrophobicContact CD1-CE1 3.74Å; L168-F183 HydrophobicContact CD1-CZ 4Å; L168-D193 CarbonylContact C-O 3.55Å; L168-D193 WeakPolarHBondContact CA-O 3.35Å; L168-D193 PolarHBondContact N-O 3.07Å; L168-L194 HydrophobicContact CB-CD2 3.79Å; L168-L194 HydrophobicContact CD1-CD2 3.97Å; L168-N197 PolarHBondContact O-ND2 3.46Å
169	F	97.8	Very high	96.6	Very high	42 Å²	42	31.9 Å²	31.9	18%	0.184	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	141.7	-177.3	66.3	-87.7	0	0	0	111.6	G145 Q146 R167 C171 S195	G145-F169 CarbonylContact C-O 3.44Å; G145-F169 WeakPolarHBondContact CA-O 3.31Å; Q146-F169 HydrophobicContact CG-CD2 4.14Å; Q146-F169 HydrophobicContact CG-CE2 3.6Å; Q146-F169 HydrophobicContact CG-CZ 4.45Å; Q146-F169 PolarHBondContact N-O 3.4Å; R167-F169 HydrophobicContact CB-CD1 4.04Å; R167-F169 HydrophobicContact CB-CE1 4.21Å; F169-C171 VanDerWaalsContact C-N 3.31Å; F169-C171 PolarHBondContact O-N 2.86Å; F169-S195 CarbonylContact C-O 3.59Å; F169-S195 WeakPolarHBondContact CA-O 3.23Å; F169-S195 WeakPolarHBondContact CB-O 3.48Å; F169-S195 VanDerWaalsContact CB-OG 3.24Å; F169-S195 WeakPolarHBondContact CB-OG 3.22Å
170	A	97.2	Very high	96.7	Very high	39 Å²	39	33.4 Å²	33.4	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	46	179.6	0	0	0	0	0	113.6	Q146 S195 G196	Q146-A170 WeakPolarHBondContact CA-O 3.13Å; Q146-A170 HydrophobicContact CG-CB 4.22Å; A170-S195 PolarHBondContact N-O 2.78Å; A170-G196 VanDerWaalsContact CA-O 3.3Å; A170-G196 WeakPolarHBondContact CA-O 3.38Å
171	C	97.6	Very high	96.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-101.1	-1.6	-178	-72.4	0	0	0	0	114.8	L144 T147 I149 L168 F169 L173 N197	L144-C171 PolarHBondContact O-SG 3.13Å; T147-C171 CarbonylContact O-C 3.4Å; T147-C171 WeakPolarHBondContact O-CA 3.44Å; I149-C171 HydrophobicContact CD1-CB 3.85Å; I149-C171 HydrophobicContact CG1-CB 4.11Å; I149-C171 PolarHBondContact N-O 3.01Å; L168-C171 PolarHBondContact O-SG 3.18Å; F169-C171 VanDerWaalsContact C-N 3.31Å; F169-C171 PolarHBondContact O-N 2.86Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 HydrophobicContact CB-CD1 3.92Å; C171-L173 HydrophobicContact CB-CG 3.75Å; C171-N197 WeakPolarHBondContact CA-OD1 3.3Å; C171-N197 WeakPolarHBondContact CB-OD1 3.31Å; C171-N197 PolarHBondContact N-OD1 3.05Å
172	G	96.3	Very high	96.7	Very high	20 Å²	20	32 Å²	32	21%	0.206	17%	0.172	C	C	.	.			trans	70.5	24.8	-174.2	0	0	0	0	0	113.3	N197	G172-N197 PolarHBondContact N-OD1 3.49Å
173	L	96.8	Very high	96.6	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.068	15%	0.152	C	C	.	.			trans	-79.8	135.1	-177.5	-61	172.1	0	0	0	111.2	I149 L152 L168 C171 V177 L194 N197 E198	I149-L173 HydrophobicContact CB-CD2 4.25Å; I149-L173 HydrophobicContact CD1-CD2 4.26Å; L152-L173 HydrophobicContact CD2-CD2 4.07Å; L168-L173 HydrophobicContact CB-CD1 3.99Å; L168-L173 HydrophobicContact CD1-CD1 4.32Å; L168-L173 HydrophobicContact CD2-CD1 4.42Å; L168-L173 HydrophobicContact CG-CD1 4.49Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 HydrophobicContact CB-CD1 3.92Å; C171-L173 HydrophobicContact CB-CG 3.75Å; L173-V177 HydrophobicContact CB-CG1 4.41Å; L173-V177 HydrophobicContact CD1-CG2 4.32Å; L173-L194 HydrophobicContact CD1-CD2 4.07Å; L173-N197 HydrophobicContact CB-CB 4.25Å; L173-N197 PolarHBondContact N-OD1 3.19Å; L173-N197 WeakPolarHBondContact O-CB 3.28Å; L173-E198 CarbonylContact O-C 3.21Å; L173-E198 WeakPolarHBondContact O-CA 3.06Å; L173-E198 PolarHBondContact O-N 3.35Å
174	S	96.2	Very high	96.4	Very high	63 Å²	63	32.3 Å²	32.3	44%	0.441	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-88.9	174.7	173.7	73	0	0	0	0	112.3	A176 V177	S174-A176 PolarHBondContact O-N 3.15Å; S174-V177 WeakPolarHBondContact O-CG1 3.38Å; S174-V177 PolarHBondContact O-N 3.41Å; S174-V177 VanDerWaalsContact O-N 3.12Å
175	S	96.2	Very high	96	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.2	176.9	-47.9	0	0	0	0	114.8	V177 L178 H200 S201	S175-V177 PolarHBondContact O-N 2.78Å; S175-L178 PolarHBondContact O-N 3.38Å; S175-H200 PolarHBondContact OG-N 3.45Å; S175-S201 PolarHBondContact OG-N 3.42Å
176	A	95.1	Very high	95.9	Very high	23 Å²	23	34.6 Å²	34.6	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-34.6	173.8	0	0	0	0	0	112.3	S174 L178 R179 D180 Y182	S174-A176 PolarHBondContact O-N 3.15Å; A176-L178 PolarHBondContact O-N 2.77Å; A176-L178 VanDerWaalsContact O-N 3.09Å; A176-R179 PolarHBondContact O-N 3.41Å; A176-D180 PolarHBondContact O-N 3.08Å; A176-Y182 WeakPolarHBondContact O-CE2 3.36Å
177	V	96.1	Very high	95.6	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-28.8	-178.2	77.2	0	0	0	0	113	L152 L173 S174 S175 Y182 F183 L194 I199	L152-V177 HydrophobicContact CD2-CG2 4.34Å; L173-V177 HydrophobicContact CB-CG1 4.41Å; L173-V177 HydrophobicContact CD1-CG2 4.32Å; S174-V177 WeakPolarHBondContact O-CG1 3.38Å; S174-V177 PolarHBondContact O-N 3.41Å; S174-V177 VanDerWaalsContact O-N 3.12Å; S175-V177 PolarHBondContact O-N 2.78Å; V177-Y182 VanDerWaalsContact CA-CD2 3.46Å; V177-Y182 HydrophobicContact CB-CD2 4.38Å; V177-Y182 HydrophobicContact CG2-CD2 4.13Å; V177-Y182 HydrophobicContact CG2-CG 4.17Å; V177-Y182 WeakPolarHBondContact O-CD2 3.48Å; V177-F183 HydrophobicContact CG2-CE2 4.02Å; V177-F183 HydrophobicContact CG2-CZ 3.67Å; V177-L194 HydrophobicContact CG1-CD2 4.28Å; V177-I199 HydrophobicContact CG1-CD1 4.24Å
178	L	96.4	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-87.7	-30.4	179	-61.9	-178.3	0	0	0	113.3	S175 A176 F183 L194 I199 L202 L204 H205 F208 F219	S175-L178 PolarHBondContact O-N 3.38Å; A176-L178 PolarHBondContact O-N 2.77Å; A176-L178 VanDerWaalsContact O-N 3.09Å; L178-F183 HydrophobicContact CD2-CE2 4.4Å; L178-L194 HydrophobicContact CD2-CD1 3.69Å; L178-I199 HydrophobicContact CD1-CD1 4.33Å; L178-I199 HydrophobicContact CD1-CG2 3.81Å; L178-L202 HydrophobicContact CD1-CD2 3.83Å; L178-L204 HydrophobicContact CB-CD2 4.4Å; L178-L204 HydrophobicContact CD1-CD2 4.33Å; L178-L204 HydrophobicContact CD2-CD2 4.16Å; L178-H205 VanDerWaalsContact O-CB 3.24Å; L178-H205 WeakPolarHBondContact O-CB 3.38Å; L178-H205 PolarHBondContact O-N 3.37Å; L178-F208 HydrophobicContact CD2-CE2 4.36Å; L178-F208 HydrophobicContact CD2-CZ 3.9Å; L178-F219 HydrophobicContact CD1-CE1 3.96Å; L178-F219 HydrophobicContact CD1-CZ 4.4Å; L178-F219 HydrophobicContact CD2-CE1 3.96Å; L178-F219 HydrophobicContact CD2-CZ 4.34Å
179	R	94.6	Very high	95.6	Very high	128 Å²	128	36.9 Å²	36.9	48%	0.483	20%	0.204	S	C	.	.	H	α-helix	trans	-89.9	-33.4	-171.7	-79.2	179.5	39.1	-110.6	-31.1	114.4	A176 H203 H205	A176-R179 PolarHBondContact O-N 3.41Å; R179-H203 HydrophobicContact CG-CB 4.13Å; R179-H203 WeakPolarHBondContact CG-O 3.36Å; R179-H205 WeakPolarHBondContact O-CB 3.36Å; R179-H205 PolarHBondContact O-CD2 3.36Å
180	D	93.6	Very high	95.6	Very high	66 Å²	66	36.8 Å²	36.8	35%	0.353	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.5	-165.8	-54.2	-23.8	0	0	0	113	L154 A176 Y182	L154-D180 HydrophobicContact CD2-CB 3.79Å; L154-D180 WeakPolarHBondContact CD2-O 3.13Å; A176-D180 PolarHBondContact O-N 3.08Å; D180-Y182 HydrophobicContact CB-CD2 4.33Å; D180-Y182 HydrophobicContact CB-CE2 3.85Å
181	G	94.1	Very high	95.7	Very high	3 Å²	3	36 Å²	36	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	29.7	166.8	0	0	0	0	0	116.2	F183 R184	G181-F183 PolarHBondContact O-N 3.39Å; G181-F183 VanDerWaalsContact O-N 3.16Å; G181-R184 WeakPolarHBondContact O-CG 3.3Å; G181-R184 PolarHBondContact O-N 2.62Å
182	Y	95.6	Very high	95.7	Very high	31 Å²	31	36 Å²	36	12%	0.122	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.3	179.8	-69.8	-93.5	0	0	0	114.8	L152 L154 A176 V177 D180	L152-Y182 HydrophobicContact CB-CE1 4.23Å; L152-Y182 HydrophobicContact CD2-CD1 3.66Å; L152-Y182 HydrophobicContact CD2-CE1 3.79Å; L152-Y182 HydrophobicContact CD2-CG 4.43Å; L152-Y182 HydrophobicContact CG-CD1 3.88Å; L152-Y182 HydrophobicContact CG-CE1 3.78Å; L152-Y182 WeakPolarHBondContact O-CE1 3.33Å; L154-Y182 HydrophobicContact CD2-CD1 4.34Å; L154-Y182 HydrophobicContact CD2-CD2 4.19Å; L154-Y182 HydrophobicContact CD2-CE1 4.04Å; L154-Y182 HydrophobicContact CD2-CE2 3.89Å; L154-Y182 HydrophobicContact CD2-CG 4.43Å; L154-Y182 HydrophobicContact CG-CE1 4.33Å; A176-Y182 WeakPolarHBondContact O-CE2 3.36Å; V177-Y182 VanDerWaalsContact CA-CD2 3.46Å; V177-Y182 HydrophobicContact CB-CD2 4.38Å; V177-Y182 HydrophobicContact CG2-CD2 4.13Å; V177-Y182 HydrophobicContact CG2-CG 4.17Å; V177-Y182 WeakPolarHBondContact O-CD2 3.48Å; D180-Y182 HydrophobicContact CB-CD2 4.33Å; D180-Y182 HydrophobicContact CB-CE2 3.85Å
183	F	95.6	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	16.8	-176.1	-50.9	-60.4	0	0	0	114	F157 L166 L168 V177 L178 G181 L186 L192 L194 F208 L211	F157-F183 HydrophobicContact CD2-CD1 4.49Å; F157-F183 HydrophobicContact CE2-CE1 4.28Å; L166-F183 HydrophobicContact CD2-CD1 3.88Å; L166-F183 HydrophobicContact CD2-CE1 3.71Å; L168-F183 HydrophobicContact CD1-CE1 3.74Å; L168-F183 HydrophobicContact CD1-CZ 4Å; V177-F183 HydrophobicContact CG2-CE2 4.02Å; V177-F183 HydrophobicContact CG2-CZ 3.67Å; L178-F183 HydrophobicContact CD2-CE2 4.4Å; G181-F183 PolarHBondContact O-N 3.39Å; G181-F183 VanDerWaalsContact O-N 3.16Å; F183-L186 HydrophobicContact CB-CD1 4.15Å; F183-L186 HydrophobicContact CD1-CD1 4.17Å; F183-L192 HydrophobicContact CD1-CD1 4.35Å; F183-L192 HydrophobicContact CD2-CD2 4.13Å; F183-L192 HydrophobicContact CE1-CD1 3.88Å; F183-L192 HydrophobicContact CE2-CD2 4Å; F183-L192 HydrophobicContact CG-CD2 4.49Å; F183-L192 HydrophobicContact CZ-CD1 4Å; F183-L192 HydrophobicContact CZ-CD2 4.25Å; F183-L194 HydrophobicContact CE2-CD1 4.16Å; F183-L194 HydrophobicContact CZ-CD1 4.15Å; F183-L194 HydrophobicContact CZ-CD2 4.24Å; F183-F208 HydrophobicContact CD2-CE2 4.07Å; F183-F208 AromaticContact CD2-CZ 3.77Å; F183-F208 HydrophobicContact CD2-CZ 3.77Å; F183-F208 HydrophobicContact CE2-CZ 4.22Å; F183-L211 HydrophobicContact CB-CD1 4.44Å; F183-L211 WeakPolarHBondContact O-CD2 3.17Å
184	R	93.3	Very high	95.9	Very high	99 Å²	99	35 Å²	35	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	144.6	177.9	67.7	-167.8	-178.2	-175	1.9	111.3	D155 Q158 G181 L186	D155-R184 VanDerWaalsContact CG-NH2 3.31Å; D155-R184 IonicContact OD1-CZ 2.8Å; D155-R184 IonicContact OD1-NE 2.93Å; D155-R184 PolarHBondContact OD1-NE 3.39Å; D155-R184 IonicContact OD1-NH2 3.81Å; D155-R184 PolarHBondContact OD1-NH2 3.05Å; D155-R184 IonicContact OD2-NH2 3.46Å; D155-R184 PolarHBondContact OD2-NH2 2.8Å; Q158-R184 PolarHBondContact NE2-O 2.92Å; G181-R184 WeakPolarHBondContact O-CG 3.3Å; G181-R184 PolarHBondContact O-N 2.62Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å
185	N	90.1	Very high	96	Very high	121 Å²	121	32.7 Å²	32.7	65%	0.647	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	14.2	178.5	-52.7	-31.6	0	0	0	116.5	Q158 S187	Q158-N185 PolarHBondContact OE1-ND2 3.42Å; N185-S187 PolarHBondContact O-N 2.63Å
186	L	95.3	Very high	96.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.178	C	C	.	.			trans	-93	58.7	174.2	-58.2	179	0	0	0	111.8	F157 L160 L163 L166 F183 R184 S188 L189 L211	F157-L186 HydrophobicContact CB-CD1 4.34Å; F157-L186 HydrophobicContact CB-CD2 4.46Å; L160-L186 HydrophobicContact CB-CD2 4.15Å; L163-L186 HydrophobicContact CD2-CD1 4.44Å; L163-L186 HydrophobicContact CD2-CD2 4.27Å; L166-L186 HydrophobicContact CD2-CD1 4.31Å; F183-L186 HydrophobicContact CB-CD1 4.15Å; F183-L186 HydrophobicContact CD1-CD1 4.17Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 2.77Å; L186-L189 HydrophobicContact CB-CB 4.03Å; L186-L189 HydrophobicContact CB-CD2 4.42Å; L186-L189 HydrophobicContact CD1-CD2 4.28Å; L186-L189 VanDerWaalsContact O-CB 3.22Å; L186-L189 WeakPolarHBondContact O-CB 3.06Å; L186-L189 PolarHBondContact O-N 2.93Å; L186-L189 VanDerWaalsContact O-N 3.11Å; L186-L211 HydrophobicContact CB-CD2 3.93Å; L186-L211 WeakPolarHBondContact O-CD2 3.31Å
187	S	93.9	Very high	96.2	Very high	61 Å²	61	32.5 Å²	32.5	43%	0.427	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.8	-171.7	53.9	0	0	0	0	115.1	N185 L189 S213	N185-S187 PolarHBondContact O-N 2.63Å; S187-L189 VanDerWaalsContact C-N 3.34Å; S187-S213 PolarHBondContact O-OG 3.19Å
188	S	96.9	Very high	96.2	Very high	37 Å²	37	37.3 Å²	37.3	26%	0.259	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	176.7	-58.1	0	0	0	0	113.5	P161 L163 L186 V190	P161-S188 VanDerWaalsContact O-CB 3.31Å; P161-S188 WeakPolarHBondContact O-CB 3.43Å; P161-S188 PolarHBondContact O-OG 3.44Å; L163-S188 CarbonylContact O-C 3.58Å; L163-S188 WeakPolarHBondContact O-CB 3.06Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 2.77Å; S188-V190 PolarHBondContact O-N 3.5Å
189	L	98.2	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-67.8	119.3	-175.3	-169.4	72.1	0	0	0	109.8	L163 L166 L186 S187 L192 S213 L214	L163-L189 HydrophobicContact CD2-CD1 4.22Å; L163-L189 HydrophobicContact CG-CD1 4.27Å; L163-L189 VanDerWaalsContact O-CA 3.25Å; L163-L189 WeakPolarHBondContact O-CA 3.35Å; L163-L189 PolarHBondContact O-N 3.46Å; L163-L189 VanDerWaalsContact O-N 3.1Å; L166-L189 HydrophobicContact CB-CD1 3.75Å; L186-L189 HydrophobicContact CB-CB 4.03Å; L186-L189 HydrophobicContact CB-CD2 4.42Å; L186-L189 HydrophobicContact CD1-CD2 4.28Å; L186-L189 VanDerWaalsContact O-CB 3.22Å; L186-L189 WeakPolarHBondContact O-CB 3.06Å; L186-L189 PolarHBondContact O-N 2.93Å; L186-L189 VanDerWaalsContact O-N 3.11Å; S187-L189 VanDerWaalsContact C-N 3.34Å; L189-L192 HydrophobicContact CD2-CB 4.22Å; L189-L192 HydrophobicContact CD2-CD1 4.47Å; L189-S213 CarbonylContact O-C 3.5Å; L189-L214 HydrophobicContact CD2-CD1 4.42Å; L189-L214 HydrophobicContact CG-CD1 4.44Å; L189-L214 VanDerWaalsContact O-CA 3.23Å; L189-L214 WeakPolarHBondContact O-CA 3.36Å; L189-L214 PolarHBondContact O-N 2.86Å; L189-L214 VanDerWaalsContact O-N 3.08Å
190	V	98.4	Very high	96.3	Very high	40 Å²	40	35.7 Å²	35.7	24%	0.242	19%	0.191	C	C	.	.			trans	-99.7	-39.1	178	177.9	0	0	0	0	110.8	V164 S188 S213 E215 D216	V164-V190 HydrophobicContact CG1-CB 3.93Å; V164-V190 HydrophobicContact CG1-CG2 3.87Å; V164-V190 PolarHBondContact O-N 2.8Å; S188-V190 PolarHBondContact O-N 3.5Å; V190-S213 WeakPolarHBondContact CA-O 3.37Å; V190-E215 HydrophobicContact CG1-CB 4.04Å; V190-E215 HydrophobicContact CG1-CG 4.29Å; V190-E215 PolarHBondContact O-N 2.87Å; V190-D216 PolarHBondContact O-N 2.83Å
191	R	98.6	Very high	96.3	Very high	22 Å²	22	34 Å²	34	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.2	-174.9	-179.3	172.3	-176.4	114.6	6.9	112.2	V164 E165 L166 D216	V164-R191 PolarHBondContact O-N 3.11Å; E165-R191 WeakPolarHBondContact CA-O 3.33Å; E165-R191 HydrophobicContact CB-CB 4.33Å; E165-R191 HydrophobicContact CG-CB 4.06Å; E165-R191 HydrophobicContact CG-CG 4.13Å; E165-R191 WeakPolarHBondContact OE1-CD 3.43Å; E165-R191 IonicContact OE1-NE 3.99Å; L166-R191 PolarHBondContact N-O 2.87Å; R191-D216 WeakPolarHBondContact CA-O 3.45Å; R191-D216 HydrophobicContact CB-CB 4.01Å; R191-D216 HydrophobicContact CG-CB 3.81Å; R191-D216 IonicContact CZ-OD2 2.61Å; R191-D216 IonicContact NH1-OD2 3.29Å; R191-D216 PolarHBondContact NH1-OD2 3.03Å
192	L	98.5	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.9	174.7	179.6	60.5	0	0	0	110.1	L166 F183 L189 L194 F208 L214 D216 I217 D218	L166-L192 HydrophobicContact CB-CD1 4.24Å; L166-L192 HydrophobicContact CD2-CD1 4.14Å; L166-L192 HydrophobicContact CG-CD1 4.25Å; F183-L192 HydrophobicContact CD1-CD1 4.35Å; F183-L192 HydrophobicContact CD2-CD2 4.13Å; F183-L192 HydrophobicContact CE1-CD1 3.88Å; F183-L192 HydrophobicContact CE2-CD2 4Å; F183-L192 HydrophobicContact CG-CD2 4.49Å; F183-L192 HydrophobicContact CZ-CD1 4Å; F183-L192 HydrophobicContact CZ-CD2 4.25Å; L189-L192 HydrophobicContact CD2-CB 4.22Å; L189-L192 HydrophobicContact CD2-CD1 4.47Å; L192-L194 HydrophobicContact CD1-CD1 4.36Å; L192-L194 HydrophobicContact CD1-CG 4.23Å; L192-L194 HydrophobicContact CD2-CD1 3.91Å; L192-L194 HydrophobicContact CG-CD1 4.02Å; L192-L194 HydrophobicContact CG-CG 4.17Å; L192-F208 HydrophobicContact CD2-CE1 4.07Å; L192-F208 HydrophobicContact CD2-CZ 4.23Å; L192-L214 HydrophobicContact CB-CD1 4.13Å; L192-D216 PolarHBondContact N-O 3.33Å; L192-I217 WeakPolarHBondContact O-CA 3.22Å; L192-D218 PolarHBondContact O-N 3.36Å
193	D	98.6	Very high	96.3	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.064	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.9	176.4	-174.4	-9	0	0	0	110.1	L166 R167 L168 S195	L166-D193 PolarHBondContact O-N 3.37Å; R167-D193 HydrophobicContact CG-CB 4.37Å; L168-D193 CarbonylContact C-O 3.55Å; L168-D193 WeakPolarHBondContact CA-O 3.35Å; L168-D193 PolarHBondContact N-O 3.07Å; D193-S195 VanDerWaalsContact OD1-CB 3.25Å; D193-S195 WeakPolarHBondContact OD1-CB 3.2Å; D193-S195 PolarHBondContact OD1-N 3.42Å; D193-S195 PolarHBondContact OD1-OG 2.78Å
194	L	98.4	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.			trans	-121.3	23.4	177.1	-74.3	166.9	0	0	0	111	L168 L173 V177 L178 F183 L192 N197 I199 D218 F219 N222	L168-L194 HydrophobicContact CB-CD2 3.79Å; L168-L194 HydrophobicContact CD1-CD2 3.97Å; L173-L194 HydrophobicContact CD1-CD2 4.07Å; V177-L194 HydrophobicContact CG1-CD2 4.28Å; L178-L194 HydrophobicContact CD2-CD1 3.69Å; F183-L194 HydrophobicContact CE2-CD1 4.16Å; F183-L194 HydrophobicContact CZ-CD1 4.15Å; F183-L194 HydrophobicContact CZ-CD2 4.24Å; L192-L194 HydrophobicContact CD1-CD1 4.36Å; L192-L194 HydrophobicContact CD1-CG 4.23Å; L192-L194 HydrophobicContact CD2-CD1 3.91Å; L192-L194 HydrophobicContact CG-CD1 4.02Å; L192-L194 HydrophobicContact CG-CG 4.17Å; L194-N197 VanDerWaalsContact C-ND2 3.29Å; L194-N197 PolarHBondContact O-ND2 3.39Å; L194-I199 HydrophobicContact CB-CD1 4.06Å; L194-I199 HydrophobicContact CD1-CD1 4.48Å; L194-D218 CarbonylContact C-O 3.5Å; L194-D218 WeakPolarHBondContact CA-O 3.4Å; L194-D218 PolarHBondContact N-O 2.85Å; L194-F219 HydrophobicContact CB-CD1 4.11Å; L194-F219 HydrophobicContact CB-CE1 4.28Å; L194-F219 HydrophobicContact CD1-CD1 4.46Å; L194-F219 HydrophobicContact CD1-CE1 3.82Å; L194-N222 PolarHBondContact O-ND2 3.01Å
195	S	98.3	Very high	96.4	Very high	15 Å²	15	36.2 Å²	36.2	11%	0.105	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	153.3	-178	62.9	0	0	0	0	112.8	F169 A170 D193 N197 D218 S220	F169-S195 CarbonylContact C-O 3.59Å; F169-S195 WeakPolarHBondContact CA-O 3.23Å; F169-S195 WeakPolarHBondContact CB-O 3.48Å; F169-S195 VanDerWaalsContact CB-OG 3.24Å; F169-S195 WeakPolarHBondContact CB-OG 3.22Å; A170-S195 PolarHBondContact N-O 2.78Å; D193-S195 VanDerWaalsContact OD1-CB 3.25Å; D193-S195 WeakPolarHBondContact OD1-CB 3.2Å; D193-S195 PolarHBondContact OD1-N 3.42Å; D193-S195 PolarHBondContact OD1-OG 2.78Å; S195-N197 VanDerWaalsContact C-N 3.28Å; S195-N197 PolarHBondContact O-N 3.34Å; S195-N197 PolarHBondContact O-ND2 2.64Å; S195-D218 PolarHBondContact N-O 3.14Å; S195-S220 CarbonylContact C-O 3.01Å; S195-S220 WeakPolarHBondContact CA-O 3.41Å; S195-S220 VanDerWaalsContact CB-O 3.23Å; S195-S220 WeakPolarHBondContact CB-O 3.36Å
196	G	97.7	Very high	96.6	Very high	31 Å²	31	33.9 Å²	33.9	32%	0.32	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	19.6	175.3	0	0	0	0	0	115.6	A170 S220 F221	A170-G196 VanDerWaalsContact CA-O 3.3Å; A170-G196 WeakPolarHBondContact CA-O 3.38Å; G196-S220 PolarHBondContact N-O 3.41Å; G196-F221 WeakPolarHBondContact CA-O 3.17Å
197	N	98.1	Very high	96.5	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.043	20%	0.199	C	C	.	.	S	Bend	trans	-96.2	-172.3	177.1	-76.2	-62	0	0	0	111.7	L168 C171 G172 L173 L194 S195 I199 N222	L168-N197 PolarHBondContact O-ND2 3.46Å; C171-N197 WeakPolarHBondContact CA-OD1 3.3Å; C171-N197 WeakPolarHBondContact CB-OD1 3.31Å; C171-N197 PolarHBondContact N-OD1 3.05Å; G172-N197 PolarHBondContact N-OD1 3.49Å; L173-N197 HydrophobicContact CB-CB 4.25Å; L173-N197 PolarHBondContact N-OD1 3.19Å; L173-N197 WeakPolarHBondContact O-CB 3.28Å; L194-N197 VanDerWaalsContact C-ND2 3.29Å; L194-N197 PolarHBondContact O-ND2 3.39Å; S195-N197 VanDerWaalsContact C-N 3.28Å; S195-N197 PolarHBondContact O-N 3.34Å; S195-N197 PolarHBondContact O-ND2 2.64Å; N197-I199 HydrophobicContact CB-CD1 4.27Å; N197-I199 HydrophobicContact CB-CG1 4.13Å; N197-N222 VanDerWaalsContact CA-OD1 3.27Å; N197-N222 WeakPolarHBondContact CA-OD1 3.27Å; N197-N222 WeakPolarHBondContact CB-OD1 3.19Å; N197-N222 PolarHBondContact N-OD1 3.28Å; N197-N222 PolarHBondContact O-OD1 3.05Å
198	E	96.4	Very high	96.5	Very high	105 Å²	105	31.8 Å²	31.8	49%	0.491	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-103.8	40.7	180	-59.7	177.3	-164.2	0	0	110.7	L173 H200	L173-E198 CarbonylContact O-C 3.21Å; L173-E198 WeakPolarHBondContact O-CA 3.06Å; L173-E198 PolarHBondContact O-N 3.35Å; E198-H200 PolarHBondContact O-CD2 3.32Å
199	I	97.1	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.			trans	-83.3	128.9	179.9	-57.3	170.3	0	0	0	109.4	V177 L178 L194 N197 S201 L202 F219 N222 E223 I224	V177-I199 HydrophobicContact CG1-CD1 4.24Å; L178-I199 HydrophobicContact CD1-CD1 4.33Å; L178-I199 HydrophobicContact CD1-CG2 3.81Å; L194-I199 HydrophobicContact CB-CD1 4.06Å; L194-I199 HydrophobicContact CD1-CD1 4.48Å; N197-I199 HydrophobicContact CB-CD1 4.27Å; N197-I199 HydrophobicContact CB-CG1 4.13Å; I199-S201 WeakPolarHBondContact CG2-O 3.25Å; I199-L202 HydrophobicContact CG2-CD2 4.29Å; I199-F219 HydrophobicContact CD1-CD1 4.34Å; I199-N222 HydrophobicContact CB-CB 4.15Å; I199-N222 WeakPolarHBondContact CB-OD1 3.25Å; I199-N222 WeakPolarHBondContact CG1-OD1 3.48Å; I199-N222 PolarHBondContact N-OD1 2.99Å; I199-E223 CarbonylContact O-C 3.37Å; I199-E223 PolarHBondContact O-N 2.98Å; I199-I224 HydrophobicContact CG2-CG1 4.34Å
200	H	95	Very high	95.9	Very high	94 Å²	94	37.9 Å²	37.9	44%	0.435	22%	0.215	S	C	.	.			trans	-113	-22.8	-179	-58.9	-69.3	0	0	0	113.6	S175 E198 E223	S175-H200 PolarHBondContact OG-N 3.45Å; E198-H200 PolarHBondContact O-CD2 3.32Å; H200-E223 WeakPolarHBondContact CA-O 3.17Å; H200-E223 IonicContact CE1-OE2 2.64Å; H200-E223 PolarHBondContact CE1-OE2 3.06Å; H200-E223 VanDerWaalsContact ND1-CB 3.33Å; H200-E223 WeakPolarHBondContact ND1-CB 3.2Å; H200-E223 IonicContact ND1-OE2 3.61Å
201	S	93.9	Very high	95.7	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	20%	0.203	C	C	.	.			trans	-139.3	146.4	179.3	168.9	0	0	0	0	111.1	S175 I199 H203 E231	S175-S201 PolarHBondContact OG-N 3.42Å; I199-S201 WeakPolarHBondContact CG2-O 3.25Å; S201-H203 PolarHBondContact OG-CD2 3.15Å; S201-H203 PolarHBondContact OG-N 3.46Å; S201-E231 PolarHBondContact OG-OE2 3.13Å
202	L	95.5	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.			trans	-100.7	27.5	-179.2	-64	-175.3	0	0	0	112.5	L178 I199 L204 F219 I224 V227 E231 L232 F243 L245	L178-L202 HydrophobicContact CD1-CD2 3.83Å; I199-L202 HydrophobicContact CG2-CD2 4.29Å; L202-L204 WeakPolarHBondContact O-CG 3.27Å; L202-L204 PolarHBondContact O-N 3.44Å; L202-F219 HydrophobicContact CD1-CD2 4.29Å; L202-F219 HydrophobicContact CD1-CE2 4.47Å; L202-F219 HydrophobicContact CD2-CD1 3.96Å; L202-F219 HydrophobicContact CD2-CD2 3.94Å; L202-F219 HydrophobicContact CD2-CE1 4.01Å; L202-F219 HydrophobicContact CD2-CE2 3.97Å; L202-F219 HydrophobicContact CD2-CG 3.92Å; L202-F219 HydrophobicContact CD2-CZ 4.01Å; L202-I224 HydrophobicContact CD1-CD1 4.23Å; L202-I224 HydrophobicContact CD1-CG2 4.25Å; L202-I224 HydrophobicContact CD2-CD1 3.59Å; L202-I224 HydrophobicContact CD2-CG1 4.28Å; L202-I224 HydrophobicContact CG-CD1 3.98Å; L202-I224 HydrophobicContact CG-CG1 4.41Å; L202-I224 HydrophobicContact CG-CG2 4.03Å; L202-V227 HydrophobicContact CD1-CG1 4.16Å; L202-V227 HydrophobicContact CD1-CG2 3.61Å; L202-V227 HydrophobicContact CG-CG2 4.29Å; L202-E231 HydrophobicContact CB-CB 4.49Å; L202-E231 PolarHBondContact N-OE2 2.8Å; L202-E231 CarbonylContact O-C 3.59Å; L202-L232 HydrophobicContact CB-CD2 4.11Å; L202-L232 HydrophobicContact CD1-CD2 4.33Å; L202-F243 HydrophobicContact CD1-CZ 4.46Å; L202-L245 HydrophobicContact CD1-CD2 3.89Å
203	H	94.4	Very high	95.2	Very high	95 Å²	95	43.1 Å²	43.1	44%	0.44	25%	0.246	S	C	.	.			trans	-61.9	99.7	170.8	-81.3	-65.6	0	0	0	111	R179 S201 E231	R179-H203 HydrophobicContact CG-CB 4.13Å; R179-H203 WeakPolarHBondContact CG-O 3.36Å; S201-H203 PolarHBondContact OG-CD2 3.15Å; S201-H203 PolarHBondContact OG-N 3.46Å; H203-E231 VanDerWaalsContact CE1-CG 3.45Å; H203-E231 WeakPolarHBondContact CE1-CG 3.21Å
204	L	95.3	Very high	95.2	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	24%	0.244	C	C	.	.			trans	-80.9	134.4	-178.1	-58.3	177.6	0	0	0	111.2	L178 L202 F208 E231 L232 P234 L235	L178-L204 HydrophobicContact CB-CD2 4.4Å; L178-L204 HydrophobicContact CD1-CD2 4.33Å; L178-L204 HydrophobicContact CD2-CD2 4.16Å; L202-L204 WeakPolarHBondContact O-CG 3.27Å; L202-L204 PolarHBondContact O-N 3.44Å; L204-F208 HydrophobicContact CB-CD2 4Å; L204-F208 HydrophobicContact CB-CE2 4.44Å; L204-F208 HydrophobicContact CB-CG 4.27Å; L204-F208 HydrophobicContact CD1-CD1 4.46Å; L204-F208 HydrophobicContact CD1-CG 4.45Å; L204-F208 HydrophobicContact CD2-CD1 4.46Å; L204-F208 HydrophobicContact CD2-CD2 4.26Å; L204-F208 HydrophobicContact CD2-CE1 4.19Å; L204-F208 HydrophobicContact CD2-CE2 3.97Å; L204-F208 HydrophobicContact CD2-CZ 3.94Å; L204-E231 PolarHBondContact N-O 3.29Å; L204-L232 HydrophobicContact CD1-CD2 3.98Å; L204-L232 HydrophobicContact CG-CD2 4.41Å; L204-P234 HydrophobicContact CB-CB 4.25Å; L204-P234 HydrophobicContact CB-CG 3.86Å; L204-P234 WeakPolarHBondContact O-CG 3.48Å; L204-L235 HydrophobicContact CD1-CD1 3.49Å; L204-L235 VanDerWaalsContact CD1-CD1 3.49Å; L204-L235 HydrophobicContact CD1-CD2 4.1Å; L204-L235 HydrophobicContact CD1-CG 3.48Å; L204-L235 VanDerWaalsContact CD1-CG 3.48Å
205	H	95.6	Very high	95.1	Very high	67 Å²	67	47.5 Å²	47.5	31%	0.31	27%	0.267	S	S	.	.			trans	-64.8	153.5	169.8	-173.5	-103.9	0	0	0	111.6	L178 R179 S207 F208	L178-H205 VanDerWaalsContact O-CB 3.24Å; L178-H205 WeakPolarHBondContact O-CB 3.38Å; L178-H205 PolarHBondContact O-N 3.37Å; R179-H205 WeakPolarHBondContact O-CB 3.36Å; R179-H205 PolarHBondContact O-CD2 3.36Å; H205-S207 VanDerWaalsContact ND1-CB 3.35Å; H205-S207 WeakPolarHBondContact ND1-CB 3.32Å; H205-S207 PolarHBondContact ND1-N 2.97Å; H205-S207 VanDerWaalsContact ND1-N 3.16Å; H205-S207 PolarHBondContact ND1-OG 3.06Å; H205-S207 PolarHBondContact O-N 3.47Å; H205-F208 WeakPolarHBondContact O-CD2 3.3Å; H205-F208 PolarHBondContact O-N 2.78Å; H205-F208 VanDerWaalsContact O-N 3.12Å
206	S	94.3	Very high	95.1	Very high	72 Å²	72	48.2 Å²	48.2	50%	0.503	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.7	-21.6	-179.6	58.5	0	0	0	0	113.8	F208 Q209	S206-F208 PolarHBondContact O-N 3.13Å; S206-Q209 VanDerWaalsContact O-CB 3.3Å; S206-Q209 WeakPolarHBondContact O-CB 3.39Å; S206-Q209 WeakPolarHBondContact O-CG 3.15Å; S206-Q209 PolarHBondContact O-N 3.07Å
207	S	93	Very high	95.1	Very high	20 Å²	20	46.7 Å²	46.7	14%	0.14	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.2	176.1	56.3	0	0	0	0	114	H205 Q209 G210	H205-S207 VanDerWaalsContact ND1-CB 3.35Å; H205-S207 WeakPolarHBondContact ND1-CB 3.32Å; H205-S207 PolarHBondContact ND1-N 2.97Å; H205-S207 VanDerWaalsContact ND1-N 3.16Å; H205-S207 PolarHBondContact ND1-OG 3.06Å; H205-S207 PolarHBondContact O-N 3.47Å; S207-Q209 PolarHBondContact O-N 3.2Å; S207-G210 PolarHBondContact O-N 3.21Å
208	F	95	Very high	95.2	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.9	173.3	-83.3	-96.7	0	0	0	112.5	L178 F183 L192 L204 H205 S206 G210 L211 L214 P234 L235 R238	L178-F208 HydrophobicContact CD2-CE2 4.36Å; L178-F208 HydrophobicContact CD2-CZ 3.9Å; F183-F208 HydrophobicContact CD2-CE2 4.07Å; F183-F208 AromaticContact CD2-CZ 3.77Å; F183-F208 HydrophobicContact CD2-CZ 3.77Å; F183-F208 HydrophobicContact CE2-CZ 4.22Å; L192-F208 HydrophobicContact CD2-CE1 4.07Å; L192-F208 HydrophobicContact CD2-CZ 4.23Å; L204-F208 HydrophobicContact CB-CD2 4Å; L204-F208 HydrophobicContact CB-CE2 4.44Å; L204-F208 HydrophobicContact CB-CG 4.27Å; L204-F208 HydrophobicContact CD1-CD1 4.46Å; L204-F208 HydrophobicContact CD1-CG 4.45Å; L204-F208 HydrophobicContact CD2-CD1 4.46Å; L204-F208 HydrophobicContact CD2-CD2 4.26Å; L204-F208 HydrophobicContact CD2-CE1 4.19Å; L204-F208 HydrophobicContact CD2-CE2 3.97Å; L204-F208 HydrophobicContact CD2-CZ 3.94Å; H205-F208 WeakPolarHBondContact O-CD2 3.3Å; H205-F208 PolarHBondContact O-N 2.78Å; H205-F208 VanDerWaalsContact O-N 3.12Å; S206-F208 PolarHBondContact O-N 3.13Å; F208-G210 PolarHBondContact O-N 3.31Å; F208-L211 HydrophobicContact CD1-CD1 3.74Å; F208-L211 HydrophobicContact CE1-CD1 4.09Å; F208-L211 HydrophobicContact CG-CD1 4.2Å; F208-L211 PolarHBondContact O-N 2.95Å; F208-L214 HydrophobicContact CD1-CD2 4.26Å; F208-P234 HydrophobicContact CB-CB 3.91Å; F208-L235 HydrophobicContact CB-CD2 4.45Å; F208-L235 HydrophobicContact CD1-CD2 4.29Å; F208-R238 PolarHBondContact O-NH2 2.97Å
209	Q	92.1	Very high	95.3	Very high	122 Å²	122	42.4 Å²	42.4	57%	0.57	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.6	-26.3	171.4	-63.7	178.5	-7.3	0	0	112.5	S206 S207 N212 P234 R238	S206-Q209 VanDerWaalsContact O-CB 3.3Å; S206-Q209 WeakPolarHBondContact O-CB 3.39Å; S206-Q209 WeakPolarHBondContact O-CG 3.15Å; S206-Q209 PolarHBondContact O-N 3.07Å; S207-Q209 PolarHBondContact O-N 3.2Å; Q209-N212 PolarHBondContact O-OD1 3.31Å; Q209-P234 HydrophobicContact CG-CB 4.07Å; Q209-R238 VanDerWaalsContact C-NH2 3.29Å; Q209-R238 PolarHBondContact O-NH2 3.29Å
210	G	90.4	Very high	95.3	Very high	43 Å²	43	42.7 Å²	42.7	44%	0.443	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-81.9	-10	178	0	0	0	0	0	115.1	S207 F208 N212	S207-G210 PolarHBondContact O-N 3.21Å; F208-G210 PolarHBondContact O-N 3.31Å; G210-N212 VanDerWaalsContact C-N 3.28Å; G210-N212 PolarHBondContact O-N 3.19Å
211	L	94.3	Very high	95.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.239	C	C	.	.			trans	-83.1	63.2	-178.1	-59.1	180	0	0	0	111.5	F183 L186 F208 S213 L214 R238	F183-L211 HydrophobicContact CB-CD1 4.44Å; F183-L211 WeakPolarHBondContact O-CD2 3.17Å; L186-L211 HydrophobicContact CB-CD2 3.93Å; L186-L211 WeakPolarHBondContact O-CD2 3.31Å; F208-L211 HydrophobicContact CD1-CD1 3.74Å; F208-L211 HydrophobicContact CE1-CD1 4.09Å; F208-L211 HydrophobicContact CG-CD1 4.2Å; F208-L211 PolarHBondContact O-N 2.95Å; L211-S213 PolarHBondContact O-N 3.38Å; L211-S213 VanDerWaalsContact O-N 3.14Å; L211-L214 HydrophobicContact CB-CB 4Å; L211-L214 HydrophobicContact CB-CD2 4.24Å; L211-L214 HydrophobicContact CD1-CD2 3.97Å; L211-L214 VanDerWaalsContact O-CB 3.3Å; L211-L214 WeakPolarHBondContact O-CB 3.28Å; L211-L214 PolarHBondContact O-N 3.1Å; L211-L214 VanDerWaalsContact O-N 3.13Å; L211-R238 VanDerWaalsContact C-NH2 3.35Å; L211-R238 PolarHBondContact O-NH1 2.98Å; L211-R238 PolarHBondContact O-NH2 3.45Å; L211-R238 VanDerWaalsContact O-NH2 3.16Å
212	N	90.4	Very high	95.6	Very high	122 Å²	122	42.4 Å²	42.4	65%	0.652	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.3	-167.8	-65	-27.6	0	0	0	115	Q209 G210	Q209-N212 PolarHBondContact O-OD1 3.31Å; G210-N212 VanDerWaalsContact C-N 3.28Å; G210-N212 PolarHBondContact O-N 3.19Å
213	S	96.1	Very high	95.6	Very high	47 Å²	47	48.4 Å²	48.4	33%	0.329	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.7	-177.8	-44.6	0	0	0	0	113.7	S187 L189 V190 L211 E215	S187-S213 PolarHBondContact O-OG 3.19Å; L189-S213 CarbonylContact O-C 3.5Å; V190-S213 WeakPolarHBondContact CA-O 3.37Å; L211-S213 PolarHBondContact O-N 3.38Å; L211-S213 VanDerWaalsContact O-N 3.14Å; S213-E215 PolarHBondContact O-N 3.04Å
214	L	97.2	Very high	95.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	24%	0.237	C	C	.	.			trans	-69.5	120.9	-172	-171.2	69.5	0	0	0	111.1	L189 L192 F208 L211 I217 L240	L189-L214 HydrophobicContact CD2-CD1 4.42Å; L189-L214 HydrophobicContact CG-CD1 4.44Å; L189-L214 VanDerWaalsContact O-CA 3.23Å; L189-L214 WeakPolarHBondContact O-CA 3.36Å; L189-L214 PolarHBondContact O-N 2.86Å; L189-L214 VanDerWaalsContact O-N 3.08Å; L192-L214 HydrophobicContact CB-CD1 4.13Å; F208-L214 HydrophobicContact CD1-CD2 4.26Å; L211-L214 HydrophobicContact CB-CB 4Å; L211-L214 HydrophobicContact CB-CD2 4.24Å; L211-L214 HydrophobicContact CD1-CD2 3.97Å; L211-L214 VanDerWaalsContact O-CB 3.3Å; L211-L214 WeakPolarHBondContact O-CB 3.28Å; L211-L214 PolarHBondContact O-N 3.1Å; L211-L214 VanDerWaalsContact O-N 3.13Å; L214-I217 HydrophobicContact CD1-CG1 4.23Å; L214-I217 HydrophobicContact CD2-CD1 3.52Å; L214-I217 HydrophobicContact CD2-CG1 3.84Å; L214-I217 HydrophobicContact CG-CD1 4.15Å; L214-I217 HydrophobicContact CG-CG1 3.99Å; L214-L240 WeakPolarHBondContact O-CD2 3.49Å
215	E	97.3	Very high	95.5	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	25%	0.248	S	C	.	.			trans	-123	-33.4	-177.8	-66.1	-179	-180	0	0	112.1	V190 S213 L240 S241 F242	V190-E215 HydrophobicContact CG1-CB 4.04Å; V190-E215 HydrophobicContact CG1-CG 4.29Å; V190-E215 PolarHBondContact O-N 2.87Å; S213-E215 PolarHBondContact O-N 3.04Å; E215-L240 CarbonylContact O-C 3.6Å; E215-L240 WeakPolarHBondContact O-CA 3.49Å; E215-L240 WeakPolarHBondContact O-CB 3.44Å; E215-S241 WeakPolarHBondContact CB-OG 3.14Å; E215-S241 PolarHBondContact O-N 2.99Å; E215-S241 PolarHBondContact O-OG 2.9Å; E215-F242 PolarHBondContact O-N 3.48Å
216	D	98.4	Very high	95.4	Very high	29 Å²	29	43.9 Å²	43.9	16%	0.155	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.2	-176.9	-76.5	-9.5	0	0	0	111.4	V190 R191 L192 S241 F242	V190-D216 PolarHBondContact O-N 2.83Å; R191-D216 WeakPolarHBondContact CA-O 3.45Å; R191-D216 HydrophobicContact CB-CB 4.01Å; R191-D216 HydrophobicContact CG-CB 3.81Å; R191-D216 IonicContact CZ-OD2 2.61Å; R191-D216 IonicContact NH1-OD2 3.29Å; R191-D216 PolarHBondContact NH1-OD2 3.03Å; L192-D216 PolarHBondContact N-O 3.33Å; D216-S241 WeakPolarHBondContact OD1-CB 3.49Å; D216-S241 PolarHBondContact OD1-OG 3.16Å; D216-F242 HydrophobicContact CB-CB 4.43Å; D216-F242 VanDerWaalsContact OD1-CB 3.26Å; D216-F242 WeakPolarHBondContact OD1-CB 3.48Å; D216-F242 PolarHBondContact OD1-N 3.28Å
217	I	98.3	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.9	173	-47.3	175.4	0	0	0	109.7	L192 L214 F219 L235 L240 F242 F243 G244	L192-I217 WeakPolarHBondContact O-CA 3.22Å; L214-I217 HydrophobicContact CD1-CG1 4.23Å; L214-I217 HydrophobicContact CD2-CD1 3.52Å; L214-I217 HydrophobicContact CD2-CG1 3.84Å; L214-I217 HydrophobicContact CG-CD1 4.15Å; L214-I217 HydrophobicContact CG-CG1 3.99Å; I217-F219 HydrophobicContact CB-CE2 4.4Å; I217-F219 HydrophobicContact CG2-CD2 3.96Å; I217-F219 HydrophobicContact CG2-CE1 4.08Å; I217-F219 HydrophobicContact CG2-CE2 3.31Å; I217-F219 HydrophobicContact CG2-CZ 3.39Å; I217-L235 HydrophobicContact CD1-CD1 4.07Å; I217-L235 HydrophobicContact CD1-CD2 4.23Å; I217-L240 HydrophobicContact CD1-CD1 4.08Å; I217-L240 HydrophobicContact CD1-CD2 4.41Å; I217-F242 PolarHBondContact N-O 3.03Å; I217-F243 HydrophobicContact CB-CD2 4.22Å; I217-F243 HydrophobicContact CB-CE2 4.42Å; I217-F243 HydrophobicContact CD1-CD2 4.47Å; I217-F243 HydrophobicContact CD1-CE2 4.32Å; I217-F243 WeakPolarHBondContact O-CA 3.43Å; I217-G244 PolarHBondContact O-N 2.9Å
218	D	98.5	Very high	95.3	Very high	22 Å²	22	41 Å²	41	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.1	177.9	-162	-10.4	0	0	0	112	L192 L194 S195 S220 F242	L192-D218 PolarHBondContact O-N 3.36Å; L194-D218 CarbonylContact C-O 3.5Å; L194-D218 WeakPolarHBondContact CA-O 3.4Å; L194-D218 PolarHBondContact N-O 2.85Å; S195-D218 PolarHBondContact N-O 3.14Å; D218-S220 WeakPolarHBondContact OD1-CB 3.18Å; D218-S220 PolarHBondContact OD1-N 2.67Å; D218-S220 PolarHBondContact OD1-OG 2.82Å; D218-F242 HydrophobicContact CB-CE1 4.08Å
219	F	98.4	Very high	95.2	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.232	C	C	.	.			trans	-113.5	15.6	174.1	-61.1	-65.1	0	0	0	112.6	L178 L194 I199 L202 I217 N222 I224 F243 G244 L245 T248	L178-F219 HydrophobicContact CD1-CE1 3.96Å; L178-F219 HydrophobicContact CD1-CZ 4.4Å; L178-F219 HydrophobicContact CD2-CE1 3.96Å; L178-F219 HydrophobicContact CD2-CZ 4.34Å; L194-F219 HydrophobicContact CB-CD1 4.11Å; L194-F219 HydrophobicContact CB-CE1 4.28Å; L194-F219 HydrophobicContact CD1-CD1 4.46Å; L194-F219 HydrophobicContact CD1-CE1 3.82Å; I199-F219 HydrophobicContact CD1-CD1 4.34Å; L202-F219 HydrophobicContact CD1-CD2 4.29Å; L202-F219 HydrophobicContact CD1-CE2 4.47Å; L202-F219 HydrophobicContact CD2-CD1 3.96Å; L202-F219 HydrophobicContact CD2-CD2 3.94Å; L202-F219 HydrophobicContact CD2-CE1 4.01Å; L202-F219 HydrophobicContact CD2-CE2 3.97Å; L202-F219 HydrophobicContact CD2-CG 3.92Å; L202-F219 HydrophobicContact CD2-CZ 4.01Å; I217-F219 HydrophobicContact CB-CE2 4.4Å; I217-F219 HydrophobicContact CG2-CD2 3.96Å; I217-F219 HydrophobicContact CG2-CE1 4.08Å; I217-F219 HydrophobicContact CG2-CE2 3.31Å; I217-F219 HydrophobicContact CG2-CZ 3.39Å; F219-N222 WeakPolarHBondContact O-CB 3.34Å; F219-N222 PolarHBondContact O-ND2 3.28Å; F219-I224 HydrophobicContact CB-CD1 3.8Å; F219-I224 HydrophobicContact CG-CD1 4.41Å; F219-F243 HydrophobicContact CD2-CE1 4.48Å; F219-F243 HydrophobicContact CD2-CE2 4.32Å; F219-F243 AromaticContact CD2-CZ 4Å; F219-F243 HydrophobicContact CD2-CZ 4Å; F219-F243 AromaticContact CE2-CE2 3.9Å; F219-F243 HydrophobicContact CE2-CE2 3.9Å; F219-F243 AromaticContact CE2-CZ 3.83Å; F219-F243 HydrophobicContact CE2-CZ 3.83Å; F219-G244 CarbonylContact C-O 3.44Å; F219-G244 WeakPolarHBondContact CA-O 3.36Å; F219-G244 WeakPolarHBondContact CB-O 3.38Å; F219-G244 PolarHBondContact N-O 3.27Å; F219-L245 HydrophobicContact CB-CD2 4.1Å; F219-L245 HydrophobicContact CD2-CD2 4.41Å; F219-T248 WeakPolarHBondContact O-CG2 3.4Å
220	S	98.4	Very high	95.1	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	152.5	-177.4	-58.8	0	0	0	0	112.3	S195 G196 D218 N222 K246	S195-S220 CarbonylContact C-O 3.01Å; S195-S220 WeakPolarHBondContact CA-O 3.41Å; S195-S220 VanDerWaalsContact CB-O 3.23Å; S195-S220 WeakPolarHBondContact CB-O 3.36Å; G196-S220 PolarHBondContact N-O 3.41Å; D218-S220 WeakPolarHBondContact OD1-CB 3.18Å; D218-S220 PolarHBondContact OD1-N 2.67Å; D218-S220 PolarHBondContact OD1-OG 2.82Å; S220-N222 PolarHBondContact O-N 2.57Å; S220-N222 PolarHBondContact O-ND2 3.24Å; S220-K246 CarbonylContact C-O 3.57Å; S220-K246 WeakPolarHBondContact CA-O 3.4Å; S220-K246 PolarHBondContact OG-N 3.09Å
221	F	97.8	Very high	95.3	Very high	114 Å²	114	40.3 Å²	40.3	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	26.4	177.2	-50.5	-77.6	0	0	0	115.3	G196 K246	G196-F221 WeakPolarHBondContact CA-O 3.17Å; F221-K246 HydrophobicContact CZ-CD 4.25Å; F221-K246 PolarHBondContact N-O 2.88Å
222	N	97.8	Very high	95.3	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	21%	0.212	C	C	.	.	S	Bend	trans	-96	-170.5	167.3	-78	-86.8	0	0	0	110.9	L194 N197 I199 F219 S220 I224 T248	L194-N222 PolarHBondContact O-ND2 3.01Å; N197-N222 VanDerWaalsContact CA-OD1 3.27Å; N197-N222 WeakPolarHBondContact CA-OD1 3.27Å; N197-N222 WeakPolarHBondContact CB-OD1 3.19Å; N197-N222 PolarHBondContact N-OD1 3.28Å; N197-N222 PolarHBondContact O-OD1 3.05Å; I199-N222 HydrophobicContact CB-CB 4.15Å; I199-N222 WeakPolarHBondContact CB-OD1 3.25Å; I199-N222 WeakPolarHBondContact CG1-OD1 3.48Å; I199-N222 PolarHBondContact N-OD1 2.99Å; F219-N222 WeakPolarHBondContact O-CB 3.34Å; F219-N222 PolarHBondContact O-ND2 3.28Å; S220-N222 PolarHBondContact O-N 2.57Å; S220-N222 PolarHBondContact O-ND2 3.24Å; N222-I224 HydrophobicContact CB-CD1 3.99Å; N222-I224 HydrophobicContact CB-CG1 4.11Å; N222-T248 HydrophobicContact CB-CG2 4.42Å; N222-T248 VanDerWaalsContact O-CA 3.29Å; N222-T248 WeakPolarHBondContact O-CA 3.14Å
223	E	94.6	Very high	95.4	Very high	127 Å²	127	39.4 Å²	39.4	59%	0.593	20%	0.203	S	C	*	.			trans	-116.6	51	179.8	-68.7	-168.3	-173.1	0	0	112.2	I199 H200 S225 T248	I199-E223 CarbonylContact O-C 3.37Å; I199-E223 PolarHBondContact O-N 2.98Å; H200-E223 WeakPolarHBondContact CA-O 3.17Å; H200-E223 IonicContact CE1-OE2 2.64Å; H200-E223 PolarHBondContact CE1-OE2 3.06Å; H200-E223 VanDerWaalsContact ND1-CB 3.33Å; H200-E223 WeakPolarHBondContact ND1-CB 3.2Å; H200-E223 IonicContact ND1-OE2 3.61Å; E223-S225 PolarHBondContact O-N 3.13Å; E223-T248 CarbonylContact C-O 3.58Å
224	I	95.6	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.			trans	-87.6	95.7	-176.3	-55.5	157	0	0	0	110	I199 L202 F219 N222 V227 L245 T248 L250	I199-I224 HydrophobicContact CG2-CG1 4.34Å; L202-I224 HydrophobicContact CD1-CD1 4.23Å; L202-I224 HydrophobicContact CD1-CG2 4.25Å; L202-I224 HydrophobicContact CD2-CD1 3.59Å; L202-I224 HydrophobicContact CD2-CG1 4.28Å; L202-I224 HydrophobicContact CG-CD1 3.98Å; L202-I224 HydrophobicContact CG-CG1 4.41Å; L202-I224 HydrophobicContact CG-CG2 4.03Å; F219-I224 HydrophobicContact CB-CD1 3.8Å; F219-I224 HydrophobicContact CG-CD1 4.41Å; N222-I224 HydrophobicContact CB-CD1 3.99Å; N222-I224 HydrophobicContact CB-CG1 4.11Å; I224-V227 HydrophobicContact CG2-CG2 3.58Å; I224-L245 HydrophobicContact CD1-CD2 4.05Å; I224-T248 CarbonylContact C-O 3.46Å; I224-T248 HydrophobicContact CB-CG2 4.4Å; I224-T248 HydrophobicContact CD1-CG2 4.05Å; I224-T248 PolarHBondContact N-O 2.99Å; I224-T248 VanDerWaalsContact N-O 3.09Å; I224-T248 VanDerWaalsContact O-O 3.12Å; I224-L250 HydrophobicContact CG2-CD1 4.46Å; I224-L250 VanDerWaalsContact O-CA 3.27Å; I224-L250 WeakPolarHBondContact O-CA 3.48Å; I224-L250 PolarHBondContact O-N 2.86Å
225	S	92	Very high	95.3	Very high	46 Å²	46	37.7 Å²	37.7	32%	0.322	19%	0.191	S	C	.	.			trans	-77.1	-28.8	-175.3	59.1	0	0	0	0	114.7	E223 F251	E223-S225 PolarHBondContact O-N 3.13Å; S225-F251 PolarHBondContact O-N 3.38Å
226	T	93.1	Very high	95.1	Very high	38 Å²	38	37 Å²	37	23%	0.233	19%	0.188	C	C	.	.			trans	-144.5	152.8	177.6	59.1	0	0	0	0	110.8	F251 V254 V256	T226-F251 HydrophobicContact CG2-CD1 4.29Å; T226-F251 HydrophobicContact CG2-CE1 4.39Å; T226-V254 HydrophobicContact CG2-CB 4.42Å; T226-V254 HydrophobicContact CG2-CG1 4.23Å; T226-V256 HydrophobicContact CG2-CG2 3.84Å
227	V	93.8	Very high	94.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	22%	0.216	C	C	.	.			trans	-139	123.6	169.4	-177	0	0	0	0	108.4	L202 I224 L232 L250 C261 P264	L202-V227 HydrophobicContact CD1-CG1 4.16Å; L202-V227 HydrophobicContact CD1-CG2 3.61Å; L202-V227 HydrophobicContact CG-CG2 4.29Å; I224-V227 HydrophobicContact CG2-CG2 3.58Å; V227-L232 HydrophobicContact CG1-CD1 3.81Å; V227-L232 HydrophobicContact CG1-CG 3.99Å; V227-L250 HydrophobicContact CB-CD1 4.29Å; V227-L250 HydrophobicContact CG2-CD1 3.69Å; V227-C261 PolarHBondContact O-SG 3.38Å; V227-C261 VanDerWaalsContact O-SG 3.34Å; V227-P264 HydrophobicContact CG1-CB 4Å; V227-P264 WeakPolarHBondContact O-CG 3.16Å
228	C	92.1	Very high	94.5	Very high	30 Å²	30	40.5 Å²	40.5	20%	0.203	22%	0.221	C	C	.	.			trans	-117.8	166.4	179.8	-64.4	0	0	0	0	113.2	D230 E231 C261	C228-D230 PolarHBondContact O-N 3.1Å; C228-E231 PolarHBondContact N-OE1 3.38Å; C228-E231 PolarHBondContact O-N 3.26Å; C228-E231 VanDerWaalsContact O-N 3.1Å; C228-C261 WeakPolarHBondContact CA-O 2.91Å; C228-C261 WeakPolarHBondContact CA-SG 3.26Å; C228-C261 HydrophobicContact CB-CB 4.03Å; C228-C261 VanDerWaalsContact CB-O 3.24Å; C228-C261 WeakPolarHBondContact CB-O 3.2Å; C228-C261 WeakPolarHBondContact CB-SG 3.01Å; C228-C261 WeakPolarHBondContact SG-CA 3.34Å; C228-C261 WeakPolarHBondContact SG-CB 3.16Å; C228-C261 CovalentContact SG-SG 2.05Å; C228-C261 PolarHBondContact SG-SG 3.07Å
229	E	91.8	Very high	94.3	Very high	37 Å²	37	44 Å²	44	17%	0.173	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.9	-175.2	-174.7	168.3	159.1	0	0	113	E231 C261 N263 R266	E229-E231 VanDerWaalsContact C-N 3.34Å; E229-E231 PolarHBondContact O-N 3.01Å; E229-C261 PolarHBondContact N-O 2.74Å; E229-N263 WeakPolarHBondContact CG-O 3.36Å; E229-N263 PolarHBondContact OE2-N 2.8Å; E229-R266 WeakPolarHBondContact OE1-CD 3.38Å; E229-R266 IonicContact OE1-NE 2.69Å; E229-R266 IonicContact OE1-NH1 3.97Å; E229-R266 PolarHBondContact OE1-NH1 3.41Å; E229-R266 IonicContact OE2-NH1 3.16Å
230	D	91.1	Very high	94.3	Very high	100 Å²	100	44 Å²	44	54%	0.535	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.2	-178.8	-74.1	-24.9	0	0	0	114	C228 K233	C228-D230 PolarHBondContact O-N 3.1Å; D230-K233 WeakPolarHBondContact OD1-CE 3.47Å; D230-K233 IonicContact OD1-NZ 2.68Å; D230-K233 PolarHBondContact OD1-NZ 3.04Å
231	E	93.6	Very high	94.2	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.065	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-35.9	-177	-73.9	-179.9	-102.6	0	0	112.2	S201 L202 H203 L204 C228 E229	S201-E231 PolarHBondContact OG-OE2 3.13Å; L202-E231 HydrophobicContact CB-CB 4.49Å; L202-E231 PolarHBondContact N-OE2 2.8Å; L202-E231 CarbonylContact O-C 3.59Å; H203-E231 VanDerWaalsContact CE1-CG 3.45Å; H203-E231 WeakPolarHBondContact CE1-CG 3.21Å; L204-E231 PolarHBondContact N-O 3.29Å; C228-E231 PolarHBondContact N-OE1 3.38Å; C228-E231 PolarHBondContact O-N 3.26Å; C228-E231 VanDerWaalsContact O-N 3.1Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E229-E231 PolarHBondContact O-N 3.01Å
232	L	94.7	Very high	94.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.242	C	C	.	.	S	Bend	trans	-100.4	8.5	-175.3	-58.2	-175	0	0	0	114	L202 L204 V227 P234 L235 F243 P264 F265 I268	L202-L232 HydrophobicContact CB-CD2 4.11Å; L202-L232 HydrophobicContact CD1-CD2 4.33Å; L204-L232 HydrophobicContact CD1-CD2 3.98Å; L204-L232 HydrophobicContact CG-CD2 4.41Å; V227-L232 HydrophobicContact CG1-CD1 3.81Å; V227-L232 HydrophobicContact CG1-CG 3.99Å; L232-P234 VanDerWaalsContact C-CD 3.41Å; L232-P234 VanDerWaalsContact C-N 3.29Å; L232-P234 VanDerWaalsContact O-N 3.14Å; L232-L235 HydrophobicContact CD2-CD1 4.34Å; L232-L235 PolarHBondContact O-N 2.81Å; L232-F243 HydrophobicContact CD1-CZ 4.18Å; L232-F243 HydrophobicContact CD2-CZ 4.27Å; L232-P264 HydrophobicContact CD1-CB 4.3Å; L232-F265 HydrophobicContact CD1-CD1 4.08Å; L232-F265 HydrophobicContact CD1-CE1 3.88Å; L232-I268 HydrophobicContact CB-CD1 4.17Å
233	K	92.9	Very high	94.3	Very high	104 Å²	104	42.3 Å²	42.3	45%	0.452	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-44.9	-43.5	177.7	-88.2	175.2	170.7	167.2	0	114.5	D230 L235 Q236	D230-K233 WeakPolarHBondContact OD1-CE 3.47Å; D230-K233 IonicContact OD1-NZ 2.68Å; D230-K233 PolarHBondContact OD1-NZ 3.04Å; K233-L235 PolarHBondContact O-N 2.85Å; K233-L235 VanDerWaalsContact O-N 3.13Å; K233-Q236 WeakPolarHBondContact O-CB 3.49Å; K233-Q236 WeakPolarHBondContact O-CG 3.34Å; K233-Q236 PolarHBondContact O-N 3Å; K233-Q236 VanDerWaalsContact O-N 3.16Å
234	P	95.3	Very high	94.5	Very high	15 Å²	15	36.2 Å²	36.2	10%	0.097	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.2	-15.1	178.6	-28	39.7	0	0	0	115.8	L204 F208 Q209 L232	L204-P234 HydrophobicContact CB-CB 4.25Å; L204-P234 HydrophobicContact CB-CG 3.86Å; L204-P234 WeakPolarHBondContact O-CG 3.48Å; F208-P234 HydrophobicContact CB-CB 3.91Å; Q209-P234 HydrophobicContact CG-CB 4.07Å; L232-P234 VanDerWaalsContact C-CD 3.41Å; L232-P234 VanDerWaalsContact C-N 3.29Å; L232-P234 VanDerWaalsContact O-N 3.14Å
235	L	95	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-96.3	-4.4	178.4	-59.1	178.6	0	0	0	113.3	L204 F208 I217 L232 K233 G237 R238 L240 F243 I268	L204-L235 HydrophobicContact CD1-CD1 3.49Å; L204-L235 VanDerWaalsContact CD1-CD1 3.49Å; L204-L235 HydrophobicContact CD1-CD2 4.1Å; L204-L235 HydrophobicContact CD1-CG 3.48Å; L204-L235 VanDerWaalsContact CD1-CG 3.48Å; F208-L235 HydrophobicContact CB-CD2 4.45Å; F208-L235 HydrophobicContact CD1-CD2 4.29Å; I217-L235 HydrophobicContact CD1-CD1 4.07Å; I217-L235 HydrophobicContact CD1-CD2 4.23Å; L232-L235 HydrophobicContact CD2-CD1 4.34Å; L232-L235 PolarHBondContact O-N 2.81Å; K233-L235 PolarHBondContact O-N 2.85Å; K233-L235 VanDerWaalsContact O-N 3.13Å; L235-G237 PolarHBondContact O-N 2.97Å; L235-R238 WeakPolarHBondContact O-CB 3.42Å; L235-R238 WeakPolarHBondContact O-CG 3.23Å; L235-R238 PolarHBondContact O-N 3.01Å; L235-R238 VanDerWaalsContact O-N 3.11Å; L235-L240 HydrophobicContact CD1-CD1 4.33Å; L235-F243 HydrophobicContact CD1-CE2 4.09Å; L235-I268 HydrophobicContact CB-CD1 3.81Å; L235-I268 HydrophobicContact CB-CG1 4.47Å
236	Q	93.6	Very high	94.8	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	136.4	178.8	-67.6	-176.4	-7.6	0	0	111.3	K233 R238	K233-Q236 WeakPolarHBondContact O-CB 3.49Å; K233-Q236 WeakPolarHBondContact O-CG 3.34Å; K233-Q236 PolarHBondContact O-N 3Å; K233-Q236 VanDerWaalsContact O-N 3.16Å; Q236-R238 VanDerWaalsContact C-N 3.32Å
237	G	92	Very high	95	Very high	72 Å²	72	35.8 Å²	35.8	74%	0.742	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-2.4	-175.2	0	0	0	0	0	114.6	L235 G267	L235-G237 PolarHBondContact O-N 2.97Å; G237-G267 WeakPolarHBondContact CA-O 3.22Å; G237-G267 PolarHBondContact N-O 3.29Å
238	R	92.4	Very high	95.2	Very high	30 Å²	30	35.7 Å²	35.7	11%	0.113	21%	0.207	C	C	.	.			trans	-89	155.8	178.5	-63	-173.7	172	-82.5	-0.6	113	F208 Q209 L211 L235 Q236 W269	F208-R238 PolarHBondContact O-NH2 2.97Å; Q209-R238 VanDerWaalsContact C-NH2 3.29Å; Q209-R238 PolarHBondContact O-NH2 3.29Å; L211-R238 VanDerWaalsContact C-NH2 3.35Å; L211-R238 PolarHBondContact O-NH1 2.98Å; L211-R238 PolarHBondContact O-NH2 3.45Å; L211-R238 VanDerWaalsContact O-NH2 3.16Å; L235-R238 WeakPolarHBondContact O-CB 3.42Å; L235-R238 WeakPolarHBondContact O-CG 3.23Å; L235-R238 PolarHBondContact O-N 3.01Å; L235-R238 VanDerWaalsContact O-N 3.11Å; Q236-R238 VanDerWaalsContact C-N 3.32Å; R238-W269 PolarHBondContact O-N 2.9Å
239	T	95.2	Very high	95.2	Very high	96 Å²	96	36 Å²	36	59%	0.589	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.1	166.1	-56.9	0	0	0	0	107.8	W269	T239-W269 CarbonylContact C-O 3.43Å; T239-W269 WeakPolarHBondContact CA-O 3.32Å; T239-W269 HydrophobicContact CG2-CB 4.07Å
240	L	97.3	Very high	95.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.7	175.6	-57	178.1	0	0	0	108.3	L214 E215 I217 L235 F243 I268 W269 L270 G271	L214-L240 WeakPolarHBondContact O-CD2 3.49Å; E215-L240 CarbonylContact O-C 3.6Å; E215-L240 WeakPolarHBondContact O-CA 3.49Å; E215-L240 WeakPolarHBondContact O-CB 3.44Å; I217-L240 HydrophobicContact CD1-CD1 4.08Å; I217-L240 HydrophobicContact CD1-CD2 4.41Å; L235-L240 HydrophobicContact CD1-CD1 4.33Å; L240-F243 HydrophobicContact CD1-CD2 3.75Å; L240-F243 HydrophobicContact CD1-CE2 4.37Å; L240-I268 HydrophobicContact CD1-CG2 4.29Å; L240-W269 PolarHBondContact N-O 3.43Å; L240-L270 HydrophobicContact CB-CD2 3.95Å; L240-L270 HydrophobicContact CD1-CD2 4.06Å; L240-L270 HydrophobicContact CG-CD2 4.4Å; L240-L270 CarbonylContact O-C 3.35Å; L240-L270 WeakPolarHBondContact O-CA 3.42Å; L240-G271 PolarHBondContact O-N 2.89Å
241	S	97.4	Very high	95.4	Very high	49 Å²	49	30 Å²	30	34%	0.343	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-36.9	171.2	36.1	0	0	0	0	111.4	E215 D216 G271 T272	E215-S241 WeakPolarHBondContact CB-OG 3.14Å; E215-S241 PolarHBondContact O-N 2.99Å; E215-S241 PolarHBondContact O-OG 2.9Å; D216-S241 WeakPolarHBondContact OD1-CB 3.49Å; D216-S241 PolarHBondContact OD1-OG 3.16Å; S241-G271 CarbonylContact O-C 3.33Å; S241-G271 WeakPolarHBondContact O-CA 3.21Å; S241-T272 PolarHBondContact O-N 3.01Å
242	F	98.4	Very high	95.1	Very high	36 Å²	36	31.4 Å²	31.4	16%	0.158	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.6	-177.5	-177.1	-96.9	0	0	0	112.4	E215 D216 I217 D218 T272 D274	E215-F242 PolarHBondContact O-N 3.48Å; D216-F242 HydrophobicContact CB-CB 4.43Å; D216-F242 VanDerWaalsContact OD1-CB 3.26Å; D216-F242 WeakPolarHBondContact OD1-CB 3.48Å; D216-F242 PolarHBondContact OD1-N 3.28Å; I217-F242 PolarHBondContact N-O 3.03Å; D218-F242 HydrophobicContact CB-CE1 4.08Å; F242-T272 HydrophobicContact CD2-CG2 3.94Å; F242-T272 HydrophobicContact CE2-CG2 4.17Å; F242-D274 HydrophobicContact CE2-CB 4.24Å; F242-D274 HydrophobicContact CZ-CB 4.32Å
243	F	98.2	Very high	94.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	106.8	171	-162.6	-93.8	0	0	0	109.9	L202 I217 F219 L232 L235 L240 L245 F265 L270 T272 L273 D274	L202-F243 HydrophobicContact CD1-CZ 4.46Å; I217-F243 HydrophobicContact CB-CD2 4.22Å; I217-F243 HydrophobicContact CB-CE2 4.42Å; I217-F243 HydrophobicContact CD1-CD2 4.47Å; I217-F243 HydrophobicContact CD1-CE2 4.32Å; I217-F243 WeakPolarHBondContact O-CA 3.43Å; F219-F243 HydrophobicContact CD2-CE1 4.48Å; F219-F243 HydrophobicContact CD2-CE2 4.32Å; F219-F243 AromaticContact CD2-CZ 4Å; F219-F243 HydrophobicContact CD2-CZ 4Å; F219-F243 AromaticContact CE2-CE2 3.9Å; F219-F243 HydrophobicContact CE2-CE2 3.9Å; F219-F243 AromaticContact CE2-CZ 3.83Å; F219-F243 HydrophobicContact CE2-CZ 3.83Å; L232-F243 HydrophobicContact CD1-CZ 4.18Å; L232-F243 HydrophobicContact CD2-CZ 4.27Å; L235-F243 HydrophobicContact CD1-CE2 4.09Å; L240-F243 HydrophobicContact CD1-CD2 3.75Å; L240-F243 HydrophobicContact CD1-CE2 4.37Å; F243-L245 HydrophobicContact CD1-CD1 4Å; F243-L245 HydrophobicContact CD1-CG 4.05Å; F243-L245 HydrophobicContact CE1-CD1 3.63Å; F243-L245 HydrophobicContact CE1-CD2 4.18Å; F243-L245 HydrophobicContact CE1-CG 3.78Å; F243-F265 HydrophobicContact CD1-CE1 4.09Å; F243-F265 AromaticContact CE1-CE1 3.96Å; F243-F265 HydrophobicContact CE1-CE1 3.96Å; F243-L270 HydrophobicContact CB-CD2 3.91Å; F243-L270 HydrophobicContact CG-CD2 4.45Å; F243-T272 PolarHBondContact N-O 2.91Å; F243-L273 HydrophobicContact CB-CD1 4.33Å; F243-L273 HydrophobicContact CD1-CD1 3.87Å; F243-D274 PolarHBondContact O-N 2.92Å; F243-D274 VanDerWaalsContact O-N 3.07Å
244	G	98.3	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.5	-174.4	0	0	0	0	0	113.2	I217 F219	I217-G244 PolarHBondContact O-N 2.9Å; F219-G244 CarbonylContact C-O 3.44Å; F219-G244 WeakPolarHBondContact CA-O 3.36Å; F219-G244 WeakPolarHBondContact CB-O 3.38Å; F219-G244 PolarHBondContact N-O 3.27Å
245	L	97.9	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.259	C	S	.	.			trans	-133.5	25.5	175	-72.2	171.5	0	0	0	111.6	L202 F219 I224 F243 T248 L250 F265 L273 D274 L275 N278	L202-L245 HydrophobicContact CD1-CD2 3.89Å; F219-L245 HydrophobicContact CB-CD2 4.1Å; F219-L245 HydrophobicContact CD2-CD2 4.41Å; I224-L245 HydrophobicContact CD1-CD2 4.05Å; F243-L245 HydrophobicContact CD1-CD1 4Å; F243-L245 HydrophobicContact CD1-CG 4.05Å; F243-L245 HydrophobicContact CE1-CD1 3.63Å; F243-L245 HydrophobicContact CE1-CD2 4.18Å; F243-L245 HydrophobicContact CE1-CG 3.78Å; L245-T248 WeakPolarHBondContact O-CG2 3.28Å; L245-T248 PolarHBondContact O-OG1 2.93Å; L245-L250 HydrophobicContact CD1-CD2 4.03Å; L245-F265 HydrophobicContact CD1-CZ 4.32Å; L245-L273 HydrophobicContact CD1-CD1 4.45Å; L245-D274 CarbonylContact C-O 3.49Å; L245-D274 WeakPolarHBondContact CA-O 3.43Å; L245-D274 PolarHBondContact N-O 3.29Å; L245-L275 HydrophobicContact CB-CD2 3.99Å; L245-L275 HydrophobicContact CD1-CD2 3.97Å; L245-N278 PolarHBondContact O-ND2 3.36Å
246	K	97.9	Very high	92.4	Very high	32 Å²	32	45.7 Å²	45.7	14%	0.139	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	138.7	-177.7	170.3	178.5	179.5	179.2	0	111.4	S220 F221 T248 D274 S276	S220-K246 CarbonylContact C-O 3.57Å; S220-K246 WeakPolarHBondContact CA-O 3.4Å; S220-K246 PolarHBondContact OG-N 3.09Å; F221-K246 HydrophobicContact CZ-CD 4.25Å; F221-K246 PolarHBondContact N-O 2.88Å; K246-T248 VanDerWaalsContact C-N 3.27Å; K246-T248 PolarHBondContact O-N 3.41Å; K246-D274 PolarHBondContact N-O 2.94Å; K246-S276 CarbonylContact C-O 3.56Å; K246-S276 VanDerWaalsContact CA-O 3.24Å; K246-S276 WeakPolarHBondContact CA-O 3.2Å; K246-S276 WeakPolarHBondContact CG-O 3.26Å
247	S	97.3	Very high	92	Very high	43 Å²	43	44.8 Å²	44.8	30%	0.301	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	41.4	174.1	-168.9	0	0	0	0	113.4	S276	S247-S276 PolarHBondContact N-O 3.14Å
248	T	96.4	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-99.1	-4.8	179.2	52.9	0	0	0	0	113.9	F219 N222 E223 I224 L245 K246 L250 N278	F219-T248 WeakPolarHBondContact O-CG2 3.4Å; N222-T248 HydrophobicContact CB-CG2 4.42Å; N222-T248 VanDerWaalsContact O-CA 3.29Å; N222-T248 WeakPolarHBondContact O-CA 3.14Å; E223-T248 CarbonylContact C-O 3.58Å; I224-T248 CarbonylContact C-O 3.46Å; I224-T248 HydrophobicContact CB-CG2 4.4Å; I224-T248 HydrophobicContact CD1-CG2 4.05Å; I224-T248 PolarHBondContact N-O 2.99Å; I224-T248 VanDerWaalsContact N-O 3.09Å; I224-T248 VanDerWaalsContact O-O 3.12Å; L245-T248 WeakPolarHBondContact O-CG2 3.28Å; L245-T248 PolarHBondContact O-OG1 2.93Å; K246-T248 VanDerWaalsContact C-N 3.27Å; K246-T248 PolarHBondContact O-N 3.41Å; T248-L250 PolarHBondContact O-N 2.89Å; T248-L250 WeakPolarHBondContact OG1-CB 3.33Å; T248-N278 WeakPolarHBondContact CA-OD1 3.22Å; T248-N278 PolarHBondContact N-OD1 3.37Å; T248-N278 PolarHBondContact OG1-OD1 3.37Å
249	S	93.6	Very high	91	Very high	36 Å²	36	51.5 Å²	51.5	25%	0.252	28%	0.281	S	S	.	.			trans	61.1	25.5	-168.7	-54.6	0	0	0	0	113.6	F251 S252 N278	S249-F251 PolarHBondContact O-N 2.84Å; S249-S252 PolarHBondContact O-N 3.29Å; S249-S252 PolarHBondContact O-OG 3Å; S249-N278 PolarHBondContact N-OD1 3.38Å
250	L	95	Very high	90.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	123.7	-178.8	-175	65.1	0	0	0	111	I224 V227 L245 T248 S252 L275 N278 W280	I224-L250 HydrophobicContact CG2-CD1 4.46Å; I224-L250 VanDerWaalsContact O-CA 3.27Å; I224-L250 WeakPolarHBondContact O-CA 3.48Å; I224-L250 PolarHBondContact O-N 2.86Å; V227-L250 HydrophobicContact CB-CD1 4.29Å; V227-L250 HydrophobicContact CG2-CD1 3.69Å; L245-L250 HydrophobicContact CD1-CD2 4.03Å; T248-L250 PolarHBondContact O-N 2.89Å; T248-L250 WeakPolarHBondContact OG1-CB 3.33Å; L250-S252 PolarHBondContact O-N 2.9Å; L250-L275 HydrophobicContact CD2-CD2 3.68Å; L250-N278 PolarHBondContact N-OD1 3.32Å; L250-N278 VanDerWaalsContact N-OD1 3.11Å; L250-W280 HydrophobicContact CD2-CZ2 4.07Å; L250-W280 HydrophobicContact CG-CZ2 4.38Å; L250-W280 PolarHBondContact O-NE1 3.19Å
251	F	91.9	Very high	90.2	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-0.5	176.7	-50.4	-42.7	0	0	0	117.2	S225 T226 S249 V256 W258 W280 I284 F288	S225-F251 PolarHBondContact O-N 3.38Å; T226-F251 HydrophobicContact CG2-CD1 4.29Å; T226-F251 HydrophobicContact CG2-CE1 4.39Å; S249-F251 PolarHBondContact O-N 2.84Å; F251-V256 HydrophobicContact CD1-CG2 3.6Å; F251-V256 HydrophobicContact CE1-CG2 4.15Å; F251-V256 HydrophobicContact CG-CG2 4.47Å; F251-W258 HydrophobicContact CB-CH2 4.04Å; F251-W258 HydrophobicContact CD1-CH2 4.13Å; F251-W258 HydrophobicContact CD1-CZ3 4.13Å; F251-W258 AromaticContact CD2-CH2 3.63Å; F251-W258 HydrophobicContact CD2-CH2 3.63Å; F251-W258 AromaticContact CD2-CZ3 3.9Å; F251-W258 HydrophobicContact CD2-CZ3 3.9Å; F251-W258 HydrophobicContact CE1-CH2 4.44Å; F251-W258 HydrophobicContact CE1-CZ3 4Å; F251-W258 HydrophobicContact CE2-CH2 4.06Å; F251-W258 AromaticContact CE2-CZ3 3.84Å; F251-W258 HydrophobicContact CE2-CZ3 3.84Å; F251-W258 AromaticContact CG-CH2 3.67Å; F251-W258 HydrophobicContact CG-CH2 3.67Å; F251-W258 HydrophobicContact CG-CZ3 4.05Å; F251-W258 HydrophobicContact CZ-CH2 4.43Å; F251-W258 AromaticContact CZ-CZ3 3.87Å; F251-W258 HydrophobicContact CZ-CZ3 3.87Å; F251-W280 HydrophobicContact CD2-CH2 4.45Å; F251-W280 AromaticContact CD2-CZ2 3.73Å; F251-W280 HydrophobicContact CD2-CZ2 3.73Å; F251-W280 HydrophobicContact CE2-CZ2 4.33Å; F251-I284 HydrophobicContact CB-CG2 3.94Å; F251-F288 HydrophobicContact CD2-CD2 4.33Å; F251-F288 AromaticContact CE2-CD2 3.83Å; F251-F288 HydrophobicContact CE2-CD2 3.83Å; F251-F288 HydrophobicContact CE2-CE2 4.2Å
252	S	86.9	Confident	89.8	Confident	43 Å²	43	51.5 Å²	51.5	30%	0.301	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-24.5	-175	58.2	0	0	0	0	114.6	S249 L250 N278	S249-S252 PolarHBondContact O-N 3.29Å; S249-S252 PolarHBondContact O-OG 3Å; L250-S252 PolarHBondContact O-N 2.9Å; S252-N278 WeakPolarHBondContact CB-O 3.46Å; S252-N278 PolarHBondContact OG-O 3.47Å
253	R	80.6	Confident	89.5	Confident	209 Å²	209	50.8 Å²	50.8	79%	0.789	28%	0.281	S	S	*	.	S	Bend	trans	-113.2	1.7	-175.5	-61.3	-174.4	-179.5	-170.3	2.3	114.5
254	V	82	Confident	89.3	Confident	66 Å²	66	51 Å²	51	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-134.5	138.2	-171.8	-176.9	0	0	0	0	110.2	T226 V256	T226-V254 HydrophobicContact CG2-CB 4.42Å; T226-V254 HydrophobicContact CG2-CG1 4.23Å; V254-V256 PolarHBondContact O-N 3.46Å
255	S	78.6	Confident	89.1	Confident	120 Å²	120	51.2 Å²	51.2	84%	0.839	28%	0.284	S	S	*	.			trans	-75	114.7	169.3	56.9	0	0	0	0	109.8
256	V	79.9	Confident	88.8	Confident	26 Å²	26	58.4 Å²	58.4	16%	0.158	31%	0.311	C	S	.	.			trans	-98.9	128.2	179.9	-176.3	0	0	0	0	110.4	T226 F251 V254 W258 C261	T226-V256 HydrophobicContact CG2-CG2 3.84Å; F251-V256 HydrophobicContact CD1-CG2 3.6Å; F251-V256 HydrophobicContact CE1-CG2 4.15Å; F251-V256 HydrophobicContact CG-CG2 4.47Å; V254-V256 PolarHBondContact O-N 3.46Å; V256-W258 HydrophobicContact CB-CD2 4.01Å; V256-W258 HydrophobicContact CB-CE3 4.07Å; V256-W258 HydrophobicContact CB-CZ2 4.43Å; V256-W258 HydrophobicContact CB-CZ3 4.46Å; V256-W258 HydrophobicContact CG1-CD2 3.85Å; V256-W258 HydrophobicContact CG1-CE3 3.58Å; V256-W258 HydrophobicContact CG1-CG 4.41Å; V256-W258 HydrophobicContact CG1-CZ3 4.17Å; V256-W258 PolarHBondContact O-N 2.98Å; V256-W258 VanDerWaalsContact O-N 3.16Å; V256-C261 HydrophobicContact CG1-CB 4.17Å
257	S	85.6	Confident	88.6	Confident	69 Å²	69	59.2 Å²	59.2	48%	0.483	33%	0.329	S	S	.	.			trans	-79.9	90.8	164.3	174.7	0	0	0	0	108.7	E259 T260 C261	S257-E259 VanDerWaalsContact C-N 3.27Å; S257-E259 PolarHBondContact O-N 2.86Å; S257-T260 WeakPolarHBondContact CB-OG1 3.13Å; S257-T260 PolarHBondContact O-N 2.57Å; S257-T260 PolarHBondContact O-OG1 2.83Å; S257-T260 PolarHBondContact OG-OG1 3.19Å; S257-C261 PolarHBondContact O-N 2.8Å; S257-C261 VanDerWaalsContact O-N 3.1Å
258	W	81.8	Confident	88.5	Confident	54 Å²	54	57.4 Å²	57.4	21%	0.205	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-32.1	-174.2	-63.8	116.4	0	0	0	113.8	F251 V256 C261 G262 N287 I291	F251-W258 HydrophobicContact CB-CH2 4.04Å; F251-W258 HydrophobicContact CD1-CH2 4.13Å; F251-W258 HydrophobicContact CD1-CZ3 4.13Å; F251-W258 AromaticContact CD2-CH2 3.63Å; F251-W258 HydrophobicContact CD2-CH2 3.63Å; F251-W258 AromaticContact CD2-CZ3 3.9Å; F251-W258 HydrophobicContact CD2-CZ3 3.9Å; F251-W258 HydrophobicContact CE1-CH2 4.44Å; F251-W258 HydrophobicContact CE1-CZ3 4Å; F251-W258 HydrophobicContact CE2-CH2 4.06Å; F251-W258 AromaticContact CE2-CZ3 3.84Å; F251-W258 HydrophobicContact CE2-CZ3 3.84Å; F251-W258 AromaticContact CG-CH2 3.67Å; F251-W258 HydrophobicContact CG-CH2 3.67Å; F251-W258 HydrophobicContact CG-CZ3 4.05Å; F251-W258 HydrophobicContact CZ-CH2 4.43Å; F251-W258 AromaticContact CZ-CZ3 3.87Å; F251-W258 HydrophobicContact CZ-CZ3 3.87Å; V256-W258 HydrophobicContact CB-CD2 4.01Å; V256-W258 HydrophobicContact CB-CE3 4.07Å; V256-W258 HydrophobicContact CB-CZ2 4.43Å; V256-W258 HydrophobicContact CB-CZ3 4.46Å; V256-W258 HydrophobicContact CG1-CD2 3.85Å; V256-W258 HydrophobicContact CG1-CE3 3.58Å; V256-W258 HydrophobicContact CG1-CG 4.41Å; V256-W258 HydrophobicContact CG1-CZ3 4.17Å; V256-W258 PolarHBondContact O-N 2.98Å; V256-W258 VanDerWaalsContact O-N 3.16Å; W258-C261 PolarHBondContact O-N 3.38Å; W258-G262 PolarHBondContact O-N 3.22Å; W258-N287 HydrophobicContact CD2-CB 4.22Å; W258-N287 VanDerWaalsContact CE2-CB 3.45Å; W258-N287 HydrophobicContact CH2-CB 4.33Å; W258-N287 HydrophobicContact CZ2-CB 3.53Å; W258-N287 PolarHBondContact NE1-ND2 3.1Å; W258-I291 HydrophobicContact CB-CD1 3.4Å; W258-I291 VanDerWaalsContact CB-CD1 3.4Å; W258-I291 HydrophobicContact CB-CG1 4.24Å; W258-I291 HydrophobicContact CD2-CD1 3.2Å; W258-I291 HydrophobicContact CE3-CD1 2.87Å; W258-I291 HydrophobicContact CE3-CG1 4.36Å; W258-I291 HydrophobicContact CG-CD1 3.49Å; W258-I291 VanDerWaalsContact CG-CD1 3.49Å; W258-I291 HydrophobicContact CH2-CD1 4.48Å; W258-I291 HydrophobicContact CZ3-CD1 3.57Å
259	E	81.8	Confident	88.4	Confident	189 Å²	189	64 Å²	64	88%	0.883	34%	0.34	S	S	*	.	H	α-helix	trans	-64.9	-39.8	177.2	-65.4	-176.2	176.7	0	0	112.5	S257	S257-E259 VanDerWaalsContact C-N 3.27Å; S257-E259 PolarHBondContact O-N 2.86Å
260	T	86.9	Confident	88.6	Confident	117 Å²	117	62.4 Å²	62.4	72%	0.718	33%	0.329	S	S	*	.	H	α-helix	trans	-81.5	-26.7	179.6	48.5	0	0	0	0	112.7	S257 G262	S257-T260 WeakPolarHBondContact CB-OG1 3.13Å; S257-T260 PolarHBondContact O-N 2.57Å; S257-T260 PolarHBondContact O-OG1 2.83Å; S257-T260 PolarHBondContact OG-OG1 3.19Å; T260-G262 VanDerWaalsContact C-N 3.33Å
261	C	87	Confident	88.7	Confident	7 Å²	7	63.5 Å²	63.5	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-28.2	-177.9	-167.8	0	0	0	0	112.5	V227 C228 E229 V256 S257 W258	V227-C261 PolarHBondContact O-SG 3.38Å; V227-C261 VanDerWaalsContact O-SG 3.34Å; C228-C261 WeakPolarHBondContact CA-O 2.91Å; C228-C261 WeakPolarHBondContact CA-SG 3.26Å; C228-C261 HydrophobicContact CB-CB 4.03Å; C228-C261 VanDerWaalsContact CB-O 3.24Å; C228-C261 WeakPolarHBondContact CB-O 3.2Å; C228-C261 WeakPolarHBondContact CB-SG 3.01Å; C228-C261 WeakPolarHBondContact SG-CA 3.34Å; C228-C261 WeakPolarHBondContact SG-CB 3.16Å; C228-C261 CovalentContact SG-SG 2.05Å; C228-C261 PolarHBondContact SG-SG 3.07Å; E229-C261 PolarHBondContact N-O 2.74Å; V256-C261 HydrophobicContact CG1-CB 4.17Å; S257-C261 PolarHBondContact O-N 2.8Å; S257-C261 VanDerWaalsContact O-N 3.1Å; W258-C261 PolarHBondContact O-N 3.38Å
262	G	90.4	Very high	89	Confident	21 Å²	21	64.4 Å²	64.4	22%	0.216	35%	0.348	C	S	.	.			trans	67.1	-172.7	-177.7	0	0	0	0	0	112.6	W258 T260 P264 I291	W258-G262 PolarHBondContact O-N 3.22Å; T260-G262 VanDerWaalsContact C-N 3.33Å; G262-P264 VanDerWaalsContact O-CD 3.31Å; G262-P264 WeakPolarHBondContact O-CD 3.44Å; G262-I291 WeakPolarHBondContact O-CG2 3.28Å
263	N	92.1	Very high	89.5	Confident	22 Å²	22	62.4 Å²	62.4	12%	0.118	33%	0.333	C	S	.	.			trans	-91.8	110.1	179.6	177.5	-11.8	0	0	0	109.8	E229 F265 R266 I291 S295	E229-N263 WeakPolarHBondContact CG-O 3.36Å; E229-N263 PolarHBondContact OE2-N 2.8Å; N263-F265 PolarHBondContact O-N 2.82Å; N263-F265 VanDerWaalsContact O-N 3.13Å; N263-F265 PolarHBondContact OD1-N 3.43Å; N263-R266 HydrophobicContact CB-CB 4.14Å; N263-R266 WeakPolarHBondContact O-CB 3.41Å; N263-R266 PolarHBondContact O-N 3.07Å; N263-R266 VanDerWaalsContact O-N 3.17Å; N263-R266 PolarHBondContact OD1-N 2.86Å; N263-I291 HydrophobicContact CB-CG2 4.41Å; N263-I291 WeakPolarHBondContact CB-O 3.49Å; N263-I291 VanDerWaalsContact CG-O 3.26Å; N263-I291 PolarHBondContact ND2-O 3.13Å; N263-S295 PolarHBondContact ND2-OG 2.87Å; N263-S295 PolarHBondContact OD1-OG 3.21Å; N263-S295 VanDerWaalsContact OD1-OG 3.09Å
264	P	92.8	Very high	90.4	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.045	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.2	-175.6	-25.5	37.5	0	0	0	114	V227 L232 G262	V227-P264 HydrophobicContact CG1-CB 4Å; V227-P264 WeakPolarHBondContact O-CG 3.16Å; L232-P264 HydrophobicContact CD1-CB 4.3Å; G262-P264 VanDerWaalsContact O-CD 3.31Å; G262-P264 WeakPolarHBondContact O-CD 3.44Å
265	F	93.9	Very high	91.1	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.018	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	17.5	-174.1	-51.8	-64.1	0	0	0	112.5	L232 F243 L245 N263 G267 I268 L270 L273 F288 I292	L232-F265 HydrophobicContact CD1-CD1 4.08Å; L232-F265 HydrophobicContact CD1-CE1 3.88Å; F243-F265 HydrophobicContact CD1-CE1 4.09Å; F243-F265 AromaticContact CE1-CE1 3.96Å; F243-F265 HydrophobicContact CE1-CE1 3.96Å; L245-F265 HydrophobicContact CD1-CZ 4.32Å; N263-F265 PolarHBondContact O-N 2.82Å; N263-F265 VanDerWaalsContact O-N 3.13Å; N263-F265 PolarHBondContact OD1-N 3.43Å; F265-G267 PolarHBondContact O-N 3.34Å; F265-G267 VanDerWaalsContact O-N 3.16Å; F265-I268 PolarHBondContact O-N 2.87Å; F265-L270 HydrophobicContact CB-CD1 4.32Å; F265-L270 HydrophobicContact CD1-CD1 3.65Å; F265-L270 HydrophobicContact CE1-CD1 4.07Å; F265-L270 HydrophobicContact CG-CD1 3.93Å; F265-L273 HydrophobicContact CD2-CD2 4.26Å; F265-L273 HydrophobicContact CE1-CD1 4.33Å; F265-L273 HydrophobicContact CE2-CD2 3.77Å; F265-L273 HydrophobicContact CZ-CD1 3.95Å; F265-L273 HydrophobicContact CZ-CD2 4Å; F265-F288 AromaticContact CE2-CE2 4Å; F265-F288 HydrophobicContact CE2-CE2 4Å; F265-F288 AromaticContact CE2-CZ 3.86Å; F265-F288 HydrophobicContact CE2-CZ 3.86Å; F265-I292 HydrophobicContact CD2-CG2 3.76Å; F265-I292 HydrophobicContact CE2-CG2 4.22Å
266	R	92.6	Very high	92	Very high	150 Å²	150	44.3 Å²	44.3	57%	0.566	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	121	-179.8	-170.1	-178	-173	171.2	1.6	110.5	E229 N263 I268	E229-R266 WeakPolarHBondContact OE1-CD 3.38Å; E229-R266 IonicContact OE1-NE 2.69Å; E229-R266 IonicContact OE1-NH1 3.97Å; E229-R266 PolarHBondContact OE1-NH1 3.41Å; E229-R266 IonicContact OE2-NH1 3.16Å; N263-R266 HydrophobicContact CB-CB 4.14Å; N263-R266 WeakPolarHBondContact O-CB 3.41Å; N263-R266 PolarHBondContact O-N 3.07Å; N263-R266 VanDerWaalsContact O-N 3.17Å; N263-R266 PolarHBondContact OD1-N 2.86Å; R266-I268 PolarHBondContact O-N 3.39Å
267	G	93.1	Very high	92.8	Very high	50 Å²	50	45 Å²	45	52%	0.515	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	13.3	179.7	0	0	0	0	0	114.3	G237 F265	G237-G267 WeakPolarHBondContact CA-O 3.22Å; G237-G267 PolarHBondContact N-O 3.29Å; F265-G267 PolarHBondContact O-N 3.34Å; F265-G267 VanDerWaalsContact O-N 3.16Å
268	I	94.7	Very high	93.2	Very high	5 Å²	5	42 Å²	42	3%	0.026	23%	0.225	C	C	.	.			trans	-108.2	131.5	173.6	-50.8	179.5	0	0	0	108.1	L232 L235 L240 F265 R266 L270	L232-I268 HydrophobicContact CB-CD1 4.17Å; L235-I268 HydrophobicContact CB-CD1 3.81Å; L235-I268 HydrophobicContact CB-CG1 4.47Å; L240-I268 HydrophobicContact CD1-CG2 4.29Å; F265-I268 PolarHBondContact O-N 2.87Å; R266-I268 PolarHBondContact O-N 3.39Å; I268-L270 HydrophobicContact CG2-CD2 3.7Å; I268-L270 HydrophobicContact CG2-CG 4.2Å
269	W	95.7	Very high	93.7	Very high	138 Å²	138	40.4 Å²	40.4	52%	0.523	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	170.9	-86.3	66.1	0	0	0	109.6	R238 T239 L240 Q296	R238-W269 PolarHBondContact O-N 2.9Å; T239-W269 CarbonylContact C-O 3.43Å; T239-W269 WeakPolarHBondContact CA-O 3.32Å; T239-W269 HydrophobicContact CG2-CB 4.07Å; L240-W269 PolarHBondContact N-O 3.43Å; W269-Q296 HydrophobicContact CD2-CB 3.61Å; W269-Q296 HydrophobicContact CD2-CG 4.01Å; W269-Q296 HydrophobicContact CE3-CB 4.03Å; W269-Q296 HydrophobicContact CG-CB 3.85Å; W269-Q296 HydrophobicContact CG-CG 4.37Å; W269-Q296 HydrophobicContact CH2-CG 4.41Å; W269-Q296 HydrophobicContact CZ2-CB 4.2Å; W269-Q296 HydrophobicContact CZ2-CG 3.76Å; W269-Q296 HydrophobicContact CZ3-CB 4.48Å
270	L	96.8	Very high	94.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.9	-179.6	-59.9	179.4	0	0	0	109.9	L240 F243 F265 I268 L273 Q296 V297 S298	L240-L270 HydrophobicContact CB-CD2 3.95Å; L240-L270 HydrophobicContact CD1-CD2 4.06Å; L240-L270 HydrophobicContact CG-CD2 4.4Å; L240-L270 CarbonylContact O-C 3.35Å; L240-L270 WeakPolarHBondContact O-CA 3.42Å; F243-L270 HydrophobicContact CB-CD2 3.91Å; F243-L270 HydrophobicContact CG-CD2 4.45Å; F265-L270 HydrophobicContact CB-CD1 4.32Å; F265-L270 HydrophobicContact CD1-CD1 3.65Å; F265-L270 HydrophobicContact CE1-CD1 4.07Å; F265-L270 HydrophobicContact CG-CD1 3.93Å; I268-L270 HydrophobicContact CG2-CD2 3.7Å; I268-L270 HydrophobicContact CG2-CG 4.2Å; L270-L273 HydrophobicContact CD1-CB 4.16Å; L270-L273 HydrophobicContact CD1-CD1 4.24Å; L270-L273 HydrophobicContact CD1-CD2 4.1Å; L270-L273 HydrophobicContact CD1-CG 4.4Å; L270-Q296 PolarHBondContact N-O 3.32Å; L270-V297 HydrophobicContact CB-CG1 4.47Å; L270-V297 HydrophobicContact CB-CG2 4.32Å; L270-V297 HydrophobicContact CD1-CG2 4.21Å; L270-V297 WeakPolarHBondContact O-CA 3.34Å; L270-S298 PolarHBondContact O-N 3.38Å
271	G	97	Very high	94.5	Very high	26 Å²	26	27.9 Å²	27.9	27%	0.268	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-62.7	166.4	0	0	0	0	0	109.5	L240 S241 S298 S299	L240-G271 PolarHBondContact O-N 2.89Å; S241-G271 CarbonylContact O-C 3.33Å; S241-G271 WeakPolarHBondContact O-CA 3.21Å; G271-S298 CarbonylContact O-C 3.59Å; G271-S298 WeakPolarHBondContact O-CB 3.49Å; G271-S298 PolarHBondContact O-N 3Å; G271-S299 WeakPolarHBondContact O-CB 3.23Å; G271-S299 PolarHBondContact O-N 2.84Å
272	T	98.3	Very high	94.8	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.172	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130	178.7	-60.1	0	0	0	0	111	S241 F242 F243 S299 I301	S241-T272 PolarHBondContact O-N 3.01Å; F242-T272 HydrophobicContact CD2-CG2 3.94Å; F242-T272 HydrophobicContact CE2-CG2 4.17Å; F243-T272 PolarHBondContact N-O 2.91Å; T272-S299 WeakPolarHBondContact CA-O 3.43Å; T272-I301 HydrophobicContact CG2-CD1 3.55Å; T272-I301 HydrophobicContact CG2-CG1 4.09Å
273	L	98.3	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.9	170.5	176.7	57.9	0	0	0	109	F243 L245 F265 L270 L275 F288 V297 S299 L300 I301	F243-L273 HydrophobicContact CB-CD1 4.33Å; F243-L273 HydrophobicContact CD1-CD1 3.87Å; L245-L273 HydrophobicContact CD1-CD1 4.45Å; F265-L273 HydrophobicContact CD2-CD2 4.26Å; F265-L273 HydrophobicContact CE1-CD1 4.33Å; F265-L273 HydrophobicContact CE2-CD2 3.77Å; F265-L273 HydrophobicContact CZ-CD1 3.95Å; F265-L273 HydrophobicContact CZ-CD2 4Å; L270-L273 HydrophobicContact CD1-CB 4.16Å; L270-L273 HydrophobicContact CD1-CD1 4.24Å; L270-L273 HydrophobicContact CD1-CD2 4.1Å; L270-L273 HydrophobicContact CD1-CG 4.4Å; L273-L275 HydrophobicContact CD1-CD2 4.38Å; L273-L275 HydrophobicContact CD1-CG 4.24Å; L273-L275 HydrophobicContact CD2-CD1 3.85Å; L273-L275 HydrophobicContact CD2-CG 4.42Å; L273-L275 HydrophobicContact CG-CD1 3.87Å; L273-L275 HydrophobicContact CG-CG 3.97Å; L273-F288 HydrophobicContact CD2-CZ 4.19Å; L273-V297 HydrophobicContact CB-CG1 3.86Å; L273-V297 HydrophobicContact CD2-CG2 4.45Å; L273-S299 PolarHBondContact N-O 3.01Å; L273-L300 HydrophobicContact CB-CD1 4.33Å; L273-L300 HydrophobicContact CD2-CD1 4.07Å; L273-L300 HydrophobicContact CG-CD1 4.25Å; L273-I301 PolarHBondContact O-N 3.31Å
274	D	98.5	Very high	94.9	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.4	177.6	-172.6	10.8	0	0	0	111.8	F242 F243 L245 K246 S276 I301	F242-D274 HydrophobicContact CE2-CB 4.24Å; F242-D274 HydrophobicContact CZ-CB 4.32Å; F243-D274 PolarHBondContact O-N 2.92Å; F243-D274 VanDerWaalsContact O-N 3.07Å; L245-D274 CarbonylContact C-O 3.49Å; L245-D274 WeakPolarHBondContact CA-O 3.43Å; L245-D274 PolarHBondContact N-O 3.29Å; K246-D274 PolarHBondContact N-O 2.94Å; D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.03Å; D274-S276 PolarHBondContact OD1-OG 3.46Å; D274-I301 HydrophobicContact CB-CB 4.34Å; D274-I301 HydrophobicContact CB-CD1 4.49Å
275	L	97.6	Very high	95	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	18%	0.177	C	C	.	.			trans	-118.8	18.4	-180	-65.8	161.2	0	0	0	111.1	L245 L250 L273 N278 W280 F288 L300 I301 L302	L245-L275 HydrophobicContact CB-CD2 3.99Å; L245-L275 HydrophobicContact CD1-CD2 3.97Å; L250-L275 HydrophobicContact CD2-CD2 3.68Å; L273-L275 HydrophobicContact CD1-CD2 4.38Å; L273-L275 HydrophobicContact CD1-CG 4.24Å; L273-L275 HydrophobicContact CD2-CD1 3.85Å; L273-L275 HydrophobicContact CD2-CG 4.42Å; L273-L275 HydrophobicContact CG-CD1 3.87Å; L273-L275 HydrophobicContact CG-CG 3.97Å; L275-N278 VanDerWaalsContact C-ND2 3.32Å; L275-N278 PolarHBondContact O-ND2 3.32Å; L275-W280 HydrophobicContact CB-CH2 4.42Å; L275-W280 HydrophobicContact CD1-CH2 3.68Å; L275-W280 HydrophobicContact CD1-CZ2 4.5Å; L275-W280 HydrophobicContact CD1-CZ3 4.03Å; L275-W280 HydrophobicContact CD2-CH2 4.13Å; L275-W280 HydrophobicContact CD2-CZ2 4.19Å; L275-W280 HydrophobicContact CG-CH2 4.31Å; L275-F288 HydrophobicContact CD1-CD1 4.5Å; L275-F288 HydrophobicContact CD1-CE1 3.59Å; L275-F288 HydrophobicContact CD1-CE2 4.5Å; L275-F288 HydrophobicContact CD1-CZ 3.59Å; L275-L300 HydrophobicContact CD1-CD1 3.81Å; L275-I301 PolarHBondContact N-O 2.69Å; L275-L302 HydrophobicContact CB-CD2 3.71Å; L275-L302 HydrophobicContact CD1-CD2 4.05Å
276	S	97.4	Very high	95	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	153.5	-176.7	-63	0	0	0	0	113	K246 S247 D274 N278 I301 T303	K246-S276 CarbonylContact C-O 3.56Å; K246-S276 VanDerWaalsContact CA-O 3.24Å; K246-S276 WeakPolarHBondContact CA-O 3.2Å; K246-S276 WeakPolarHBondContact CG-O 3.26Å; S247-S276 PolarHBondContact N-O 3.14Å; D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.03Å; D274-S276 PolarHBondContact OD1-OG 3.46Å; S276-N278 PolarHBondContact O-N 3.39Å; S276-N278 PolarHBondContact O-ND2 3.38Å; S276-I301 WeakPolarHBondContact OG-CG2 3.13Å; S276-T303 CarbonylContact C-O 3.52Å; S276-T303 WeakPolarHBondContact CA-O 3Å; S276-T303 WeakPolarHBondContact CB-O 2.96Å; S276-T303 WeakPolarHBondContact CB-OG1 3.41Å; S276-T303 PolarHBondContact OG-N 3.49Å; S276-T303 VanDerWaalsContact OG-N 3.17Å; S276-T303 PolarHBondContact OG-OG1 3.13Å
277	S	96.2	Very high	95	Very high	42 Å²	42	28.3 Å²	28.3	29%	0.294	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	20.4	171.7	-50.6	0	0	0	0	115.2	G279 T303 H304	S277-G279 VanDerWaalsContact C-N 3.28Å; S277-T303 PolarHBondContact N-O 2.71Å; S277-H304 WeakPolarHBondContact OG-CB 3.3Å
278	N	95.4	Very high	95	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	15%	0.15	C	C	.	.	S	Bend	trans	-83.5	-2.5	175.2	-78.2	-56.9	0	0	0	114.1	L245 T248 S249 L250 S252 L275 S276 W280	L245-N278 PolarHBondContact O-ND2 3.36Å; T248-N278 WeakPolarHBondContact CA-OD1 3.22Å; T248-N278 PolarHBondContact N-OD1 3.37Å; T248-N278 PolarHBondContact OG1-OD1 3.37Å; S249-N278 PolarHBondContact N-OD1 3.38Å; L250-N278 PolarHBondContact N-OD1 3.32Å; L250-N278 VanDerWaalsContact N-OD1 3.11Å; S252-N278 WeakPolarHBondContact CB-O 3.46Å; S252-N278 PolarHBondContact OG-O 3.47Å; L275-N278 VanDerWaalsContact C-ND2 3.32Å; L275-N278 PolarHBondContact O-ND2 3.32Å; S276-N278 PolarHBondContact O-N 3.39Å; S276-N278 PolarHBondContact O-ND2 3.38Å; N278-W280 HydrophobicContact CB-CG 4.37Å
279	G	90.8	Very high	95	Very high	21 Å²	21	26.1 Å²	26.1	22%	0.216	15%	0.149	C	C	.	.			trans	74	28.1	-179.9	0	0	0	0	0	113.7	S277 T281	S277-G279 VanDerWaalsContact C-N 3.28Å; G279-T281 PolarHBondContact O-N 3.18Å
280	W	93.3	Very high	94.8	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.011	15%	0.145	C	C	.	.			trans	-69.1	128.4	-175.2	-75.3	12.9	0	0	0	112.7	L250 F251 L275 N278 I284 F288 L302 I306	L250-W280 HydrophobicContact CD2-CZ2 4.07Å; L250-W280 HydrophobicContact CG-CZ2 4.38Å; L250-W280 PolarHBondContact O-NE1 3.19Å; F251-W280 HydrophobicContact CD2-CH2 4.45Å; F251-W280 AromaticContact CD2-CZ2 3.73Å; F251-W280 HydrophobicContact CD2-CZ2 3.73Å; F251-W280 HydrophobicContact CE2-CZ2 4.33Å; L275-W280 HydrophobicContact CB-CH2 4.42Å; L275-W280 HydrophobicContact CD1-CH2 3.68Å; L275-W280 HydrophobicContact CD1-CZ2 4.5Å; L275-W280 HydrophobicContact CD1-CZ3 4.03Å; L275-W280 HydrophobicContact CD2-CH2 4.13Å; L275-W280 HydrophobicContact CD2-CZ2 4.19Å; L275-W280 HydrophobicContact CG-CH2 4.31Å; N278-W280 HydrophobicContact CB-CG 4.37Å; W280-I284 HydrophobicContact CB-CB 4.46Å; W280-I284 HydrophobicContact CB-CG2 4.34Å; W280-I284 HydrophobicContact CD2-CG2 3.79Å; W280-I284 HydrophobicContact CE3-CG2 4.39Å; W280-I284 HydrophobicContact CG-CB 4.38Å; W280-I284 HydrophobicContact CG-CG2 3.75Å; W280-F288 HydrophobicContact CH2-CB 3.85Å; W280-F288 AromaticContact CH2-CD1 3.47Å; W280-F288 HydrophobicContact CH2-CD1 3.47Å; W280-F288 VanDerWaalsContact CH2-CD1 3.47Å; W280-F288 AromaticContact CH2-CD2 3.5Å; W280-F288 HydrophobicContact CH2-CD2 3.5Å; W280-F288 AromaticContact CH2-CE1 3.77Å; W280-F288 HydrophobicContact CH2-CE1 3.77Å; W280-F288 AromaticContact CH2-CE2 3.81Å; W280-F288 HydrophobicContact CH2-CE2 3.81Å; W280-F288 AromaticContact CH2-CG 3.3Å; W280-F288 HydrophobicContact CH2-CG 3.3Å; W280-F288 AromaticContact CH2-CZ 3.92Å; W280-F288 HydrophobicContact CH2-CZ 3.92Å; W280-F288 HydrophobicContact CZ2-CD2 4.28Å; W280-F288 HydrophobicContact CZ2-CG 4.35Å; W280-F288 HydrophobicContact CZ3-CB 3.82Å; W280-F288 AromaticContact CZ3-CD1 3.4Å; W280-F288 HydrophobicContact CZ3-CD1 3.4Å; W280-F288 HydrophobicContact CZ3-CD2 4.23Å; W280-F288 AromaticContact CZ3-CE1 3.94Å; W280-F288 HydrophobicContact CZ3-CE1 3.94Å; W280-F288 AromaticContact CZ3-CG 3.54Å; W280-F288 HydrophobicContact CZ3-CG 3.54Å; W280-L302 HydrophobicContact CE3-CD2 3.63Å; W280-L302 HydrophobicContact CZ3-CD2 3.64Å; W280-I306 CarbonylContact O-C 3.33Å; W280-I306 WeakPolarHBondContact O-CA 3.46Å; W280-I306 PolarHBondContact O-N 3.21Å
281	T	92.4	Very high	94.6	Very high	40 Å²	40	23.9 Å²	23.9	25%	0.245	15%	0.152	C	C	.	.			trans	-86.4	174.6	168.4	67.4	0	0	0	0	110.8	G279 D283 I284 T285 I306	G279-T281 PolarHBondContact O-N 3.18Å; T281-D283 VanDerWaalsContact C-N 3.28Å; T281-D283 PolarHBondContact O-N 3.34Å; T281-I284 PolarHBondContact O-N 3.27Å; T281-T285 WeakPolarHBondContact O-CB 2.86Å; T281-T285 PolarHBondContact O-N 3.4Å; T281-T285 PolarHBondContact O-OG1 2.96Å; T281-I306 WeakPolarHBondContact CA-O 3.12Å
282	V	93.2	Very high	94.3	Very high	12 Å²	12	22.8 Å²	22.8	7%	0.073	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-41.4	176.3	172.9	0	0	0	0	111.4	T285 G286 M307 K317 P319 T323	V282-T285 PolarHBondContact O-N 3.38Å; V282-G286 PolarHBondContact O-N 3.27Å; V282-M307 HydrophobicContact CG2-CB 3.65Å; V282-M307 HydrophobicContact CG2-CG 3.83Å; V282-M307 HydrophobicContact CG2-SD 4.28Å; V282-K317 HydrophobicContact CG2-CB 4.45Å; V282-K317 WeakPolarHBondContact CG2-O 3.28Å; V282-P319 HydrophobicContact CG2-CB 4.5Å; V282-T323 HydrophobicContact CG1-CG2 4.08Å; V282-T323 WeakPolarHBondContact CG1-OG1 3.46Å
283	D	91.5	Very high	93.9	Very high	98 Å²	98	26.3 Å²	26.3	52%	0.524	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-42.6	-178.3	-57.9	-46.2	0	0	0	111.7	T281 G286 N287	T281-D283 VanDerWaalsContact C-N 3.28Å; T281-D283 PolarHBondContact O-N 3.34Å; D283-G286 PolarHBondContact O-N 3.06Å; D283-N287 WeakPolarHBondContact O-CB 3.1Å; D283-N287 VanDerWaalsContact O-CG 3.26Å; D283-N287 PolarHBondContact O-N 2.98Å; D283-N287 PolarHBondContact O-ND2 2.75Å
284	I	92.6	Very high	93.4	Very high	24 Å²	24	28.1 Å²	28.1	12%	0.123	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-44.8	176.6	-61.9	167.8	0	0	0	110	F251 W280 T281 G286 N287 F288	F251-I284 HydrophobicContact CB-CG2 3.94Å; W280-I284 HydrophobicContact CB-CB 4.46Å; W280-I284 HydrophobicContact CB-CG2 4.34Å; W280-I284 HydrophobicContact CD2-CG2 3.79Å; W280-I284 HydrophobicContact CE3-CG2 4.39Å; W280-I284 HydrophobicContact CG-CB 4.38Å; W280-I284 HydrophobicContact CG-CG2 3.75Å; T281-I284 PolarHBondContact O-N 3.27Å; I284-G286 PolarHBondContact O-N 3.26Å; I284-N287 PolarHBondContact O-N 3.06Å; I284-F288 WeakPolarHBondContact O-CB 3.41Å; I284-F288 PolarHBondContact O-N 2.76Å
285	T	94.9	Very high	93	Very high	3 Å²	3	28 Å²	28	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-41	-179.9	-53.4	0	0	0	0	111.6	T281 V282 S289 L302 M307 T323 F324	T281-T285 WeakPolarHBondContact O-CB 2.86Å; T281-T285 PolarHBondContact O-N 3.4Å; T281-T285 PolarHBondContact O-OG1 2.96Å; V282-T285 PolarHBondContact O-N 3.38Å; T285-S289 VanDerWaalsContact O-CB 3.26Å; T285-S289 WeakPolarHBondContact O-CB 3.4Å; T285-S289 PolarHBondContact O-N 3.24Å; T285-S289 PolarHBondContact O-OG 2.59Å; T285-L302 HydrophobicContact CG2-CD1 4.34Å; T285-M307 HydrophobicContact CG2-CE 4.18Å; T285-M307 HydrophobicContact CG2-SD 3.89Å; T285-M307 PolarHBondContact OG1-SD 2.95Å; T285-M307 VanDerWaalsContact OG1-SD 3.33Å; T285-T323 HydrophobicContact CG2-CG2 4.03Å; T285-F324 HydrophobicContact CG2-CD1 4.47Å; T285-F324 HydrophobicContact CG2-CE1 3.77Å; T285-F324 HydrophobicContact CG2-CZ 4.26Å
286	G	94.3	Very high	92.8	Very high	13 Å²	13	30.5 Å²	30.5	13%	0.134	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-41.6	175.4	0	0	0	0	0	113.8	V282 D283 I284 S289 S290 T323	V282-G286 PolarHBondContact O-N 3.27Å; D283-G286 PolarHBondContact O-N 3.06Å; I284-G286 PolarHBondContact O-N 3.26Å; G286-S289 PolarHBondContact O-OG 3.22Å; G286-S290 PolarHBondContact O-N 3.35Å; G286-S290 PolarHBondContact O-OG 3.42Å; G286-T323 WeakPolarHBondContact CA-O 3.37Å
287	N	92.9	Very high	92.7	Very high	70 Å²	70	30.5 Å²	30.5	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-46.4	175.8	-70.9	-27.7	0	0	0	111.3	W258 D283 I284 S289 S290 I291	W258-N287 HydrophobicContact CD2-CB 4.22Å; W258-N287 VanDerWaalsContact CE2-CB 3.45Å; W258-N287 HydrophobicContact CH2-CB 4.33Å; W258-N287 HydrophobicContact CZ2-CB 3.53Å; W258-N287 PolarHBondContact NE1-ND2 3.1Å; D283-N287 WeakPolarHBondContact O-CB 3.1Å; D283-N287 VanDerWaalsContact O-CG 3.26Å; D283-N287 PolarHBondContact O-N 2.98Å; D283-N287 PolarHBondContact O-ND2 2.75Å; I284-N287 PolarHBondContact O-N 3.06Å; N287-S289 PolarHBondContact O-N 2.8Å; N287-S290 WeakPolarHBondContact O-CB 3.29Å; N287-S290 PolarHBondContact O-N 2.89Å; N287-I291 WeakPolarHBondContact O-CD1 3.39Å; N287-I291 WeakPolarHBondContact O-CG1 3.1Å; N287-I291 PolarHBondContact O-N 3.01Å
288	F	93.6	Very high	92.7	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-46.9	177.2	178.4	-101	0	0	0	111.6	F251 F265 L273 L275 W280 I284 S290 I291 I292	F251-F288 HydrophobicContact CD2-CD2 4.33Å; F251-F288 AromaticContact CE2-CD2 3.83Å; F251-F288 HydrophobicContact CE2-CD2 3.83Å; F251-F288 HydrophobicContact CE2-CE2 4.2Å; F265-F288 AromaticContact CE2-CE2 4Å; F265-F288 HydrophobicContact CE2-CE2 4Å; F265-F288 AromaticContact CE2-CZ 3.86Å; F265-F288 HydrophobicContact CE2-CZ 3.86Å; L273-F288 HydrophobicContact CD2-CZ 4.19Å; L275-F288 HydrophobicContact CD1-CD1 4.5Å; L275-F288 HydrophobicContact CD1-CE1 3.59Å; L275-F288 HydrophobicContact CD1-CE2 4.5Å; L275-F288 HydrophobicContact CD1-CZ 3.59Å; W280-F288 HydrophobicContact CH2-CB 3.85Å; W280-F288 AromaticContact CH2-CD1 3.47Å; W280-F288 HydrophobicContact CH2-CD1 3.47Å; W280-F288 VanDerWaalsContact CH2-CD1 3.47Å; W280-F288 AromaticContact CH2-CD2 3.5Å; W280-F288 HydrophobicContact CH2-CD2 3.5Å; W280-F288 AromaticContact CH2-CE1 3.77Å; W280-F288 HydrophobicContact CH2-CE1 3.77Å; W280-F288 AromaticContact CH2-CE2 3.81Å; W280-F288 HydrophobicContact CH2-CE2 3.81Å; W280-F288 AromaticContact CH2-CG 3.3Å; W280-F288 HydrophobicContact CH2-CG 3.3Å; W280-F288 AromaticContact CH2-CZ 3.92Å; W280-F288 HydrophobicContact CH2-CZ 3.92Å; W280-F288 HydrophobicContact CZ2-CD2 4.28Å; W280-F288 HydrophobicContact CZ2-CG 4.35Å; W280-F288 HydrophobicContact CZ3-CB 3.82Å; W280-F288 AromaticContact CZ3-CD1 3.4Å; W280-F288 HydrophobicContact CZ3-CD1 3.4Å; W280-F288 HydrophobicContact CZ3-CD2 4.23Å; W280-F288 AromaticContact CZ3-CE1 3.94Å; W280-F288 HydrophobicContact CZ3-CE1 3.94Å; W280-F288 AromaticContact CZ3-CG 3.54Å; W280-F288 HydrophobicContact CZ3-CG 3.54Å; I284-F288 WeakPolarHBondContact O-CB 3.41Å; I284-F288 PolarHBondContact O-N 2.76Å; F288-S290 PolarHBondContact O-N 3.14Å; F288-I291 PolarHBondContact O-N 3.16Å; F288-I292 HydrophobicContact CD1-CD1 4.12Å; F288-I292 HydrophobicContact CD1-CG1 4.31Å; F288-I292 HydrophobicContact CD2-CG2 4.18Å; F288-I292 HydrophobicContact CE1-CD1 3.49Å; F288-I292 VanDerWaalsContact CE1-CD1 3.49Å; F288-I292 HydrophobicContact CE1-CG1 4.06Å; F288-I292 HydrophobicContact CE1-CG2 4.09Å; F288-I292 HydrophobicContact CE2-CG2 3.67Å; F288-I292 HydrophobicContact CZ-CD1 3.99Å; F288-I292 HydrophobicContact CZ-CG1 4.44Å; F288-I292 HydrophobicContact CZ-CG2 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.37Å; F288-I292 PolarHBondContact O-N 2.89Å
289	S	94.4	Very high	92.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-33.9	179.7	74.4	0	0	0	0	112.6	T285 G286 N287 T323 G326	T285-S289 VanDerWaalsContact O-CB 3.26Å; T285-S289 WeakPolarHBondContact O-CB 3.4Å; T285-S289 PolarHBondContact O-N 3.24Å; T285-S289 PolarHBondContact O-OG 2.59Å; G286-S289 PolarHBondContact O-OG 3.22Å; N287-S289 PolarHBondContact O-N 2.8Å; S289-T323 WeakPolarHBondContact CB-O 3.18Å; S289-T323 PolarHBondContact OG-O 3.3Å; S289-G326 CarbonylContact O-C 3.56Å; S289-G326 VanDerWaalsContact O-C 3.26Å; S289-G326 VanDerWaalsContact O-CA 3.29Å; S289-G326 WeakPolarHBondContact O-CA 3.46Å
290	S	92.4	Very high	93.2	Very high	62 Å²	62	29.4 Å²	29.4	43%	0.434	17%	0.174	S	C	.	.	H	α-helix	trans	-70.7	-34.8	176.4	-59.4	0	0	0	0	112.8	G286 N287 F288 Q293	G286-S290 PolarHBondContact O-N 3.35Å; G286-S290 PolarHBondContact O-OG 3.42Å; N287-S290 WeakPolarHBondContact O-CB 3.29Å; N287-S290 PolarHBondContact O-N 2.89Å; F288-S290 PolarHBondContact O-N 3.14Å; S290-Q293 WeakPolarHBondContact O-CB 3.42Å
291	I	91.3	Very high	93.4	Very high	32 Å²	32	29.5 Å²	29.5	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-80.5	-39.4	-176	-70.3	164.2	0	0	0	112.3	W258 G262 N263 N287 F288 Q293	W258-I291 HydrophobicContact CB-CD1 3.4Å; W258-I291 VanDerWaalsContact CB-CD1 3.4Å; W258-I291 HydrophobicContact CB-CG1 4.24Å; W258-I291 HydrophobicContact CD2-CD1 3.2Å; W258-I291 HydrophobicContact CE3-CD1 2.87Å; W258-I291 HydrophobicContact CE3-CG1 4.36Å; W258-I291 HydrophobicContact CG-CD1 3.49Å; W258-I291 VanDerWaalsContact CG-CD1 3.49Å; W258-I291 HydrophobicContact CH2-CD1 4.48Å; W258-I291 HydrophobicContact CZ3-CD1 3.57Å; G262-I291 WeakPolarHBondContact O-CG2 3.28Å; N263-I291 HydrophobicContact CB-CG2 4.41Å; N263-I291 WeakPolarHBondContact CB-O 3.49Å; N263-I291 VanDerWaalsContact CG-O 3.26Å; N263-I291 PolarHBondContact ND2-O 3.13Å; N287-I291 WeakPolarHBondContact O-CD1 3.39Å; N287-I291 WeakPolarHBondContact O-CG1 3.1Å; N287-I291 PolarHBondContact O-N 3.01Å; F288-I291 PolarHBondContact O-N 3.16Å; I291-Q293 PolarHBondContact O-N 2.97Å; I291-Q293 VanDerWaalsContact O-N 3.1Å
292	I	91.9	Very high	93.6	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.015	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	14.8	176.2	68.6	157.6	0	0	0	112.3	F265 F288 G294 S295 L327	F265-I292 HydrophobicContact CD2-CG2 3.76Å; F265-I292 HydrophobicContact CE2-CG2 4.22Å; F288-I292 HydrophobicContact CD1-CD1 4.12Å; F288-I292 HydrophobicContact CD1-CG1 4.31Å; F288-I292 HydrophobicContact CD2-CG2 4.18Å; F288-I292 HydrophobicContact CE1-CD1 3.49Å; F288-I292 VanDerWaalsContact CE1-CD1 3.49Å; F288-I292 HydrophobicContact CE1-CG1 4.06Å; F288-I292 HydrophobicContact CE1-CG2 4.09Å; F288-I292 HydrophobicContact CE2-CG2 3.67Å; F288-I292 HydrophobicContact CZ-CD1 3.99Å; F288-I292 HydrophobicContact CZ-CG1 4.44Å; F288-I292 HydrophobicContact CZ-CG2 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.37Å; F288-I292 PolarHBondContact O-N 2.89Å; I292-G294 PolarHBondContact O-N 2.97Å; I292-S295 VanDerWaalsContact O-CB 3.24Å; I292-S295 WeakPolarHBondContact O-CB 3.38Å; I292-S295 PolarHBondContact O-N 2.83Å; I292-S295 PolarHBondContact O-OG 2.76Å; I292-L327 HydrophobicContact CD1-CD2 3.69Å; I292-L327 HydrophobicContact CG1-CD2 3.88Å
293	Q	89.9	Confident	93.8	Very high	102 Å²	102	28.1 Å²	28.1	48%	0.477	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	124.6	178	-178.2	177.9	33.2	0	0	110.6	S290 I291 S295 G326	S290-Q293 WeakPolarHBondContact O-CB 3.42Å; I291-Q293 PolarHBondContact O-N 2.97Å; I291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-S295 VanDerWaalsContact C-N 3.3Å; Q293-G326 WeakPolarHBondContact CG-O 3.37Å
294	G	86.6	Confident	93.9	Very high	38 Å²	38	27.8 Å²	27.8	39%	0.392	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-6.6	-179.3	0	0	0	0	0	115	I292 Q296	I292-G294 PolarHBondContact O-N 2.97Å; G294-Q296 PolarHBondContact O-NE2 2.74Å
295	S	91.3	Very high	93.9	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	16%	0.156	C	C	.	.			trans	-65.2	145.9	170.5	-60.3	0	0	0	0	111	N263 I292 Q293 V297	N263-S295 PolarHBondContact ND2-OG 2.87Å; N263-S295 PolarHBondContact OD1-OG 3.21Å; N263-S295 VanDerWaalsContact OD1-OG 3.09Å; I292-S295 VanDerWaalsContact O-CB 3.24Å; I292-S295 WeakPolarHBondContact O-CB 3.38Å; I292-S295 PolarHBondContact O-N 2.83Å; I292-S295 PolarHBondContact O-OG 2.76Å; Q293-S295 VanDerWaalsContact C-N 3.3Å; S295-V297 PolarHBondContact O-N 3.22Å
296	Q	92.7	Very high	93.7	Very high	56 Å²	56	29.7 Å²	29.7	26%	0.262	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	87.9	-178.6	-58.8	-62.5	-49.3	0	0	108.8	W269 L270 G294 S331	W269-Q296 HydrophobicContact CD2-CB 3.61Å; W269-Q296 HydrophobicContact CD2-CG 4.01Å; W269-Q296 HydrophobicContact CE3-CB 4.03Å; W269-Q296 HydrophobicContact CG-CB 3.85Å; W269-Q296 HydrophobicContact CG-CG 4.37Å; W269-Q296 HydrophobicContact CH2-CG 4.41Å; W269-Q296 HydrophobicContact CZ2-CB 4.2Å; W269-Q296 HydrophobicContact CZ2-CG 3.76Å; W269-Q296 HydrophobicContact CZ3-CB 4.48Å; L270-Q296 PolarHBondContact N-O 3.32Å; G294-Q296 PolarHBondContact O-NE2 2.74Å; Q296-S331 VanDerWaalsContact C-OG 3.32Å; Q296-S331 WeakPolarHBondContact CA-OG 3.42Å
297	V	95.1	Very high	93.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.9	175.1	-174.1	0	0	0	0	108.3	L270 L273 S295 S299 L300 S331 V332	L270-V297 HydrophobicContact CB-CG1 4.47Å; L270-V297 HydrophobicContact CB-CG2 4.32Å; L270-V297 HydrophobicContact CD1-CG2 4.21Å; L270-V297 WeakPolarHBondContact O-CA 3.34Å; L273-V297 HydrophobicContact CB-CG1 3.86Å; L273-V297 HydrophobicContact CD2-CG2 4.45Å; S295-V297 PolarHBondContact O-N 3.22Å; V297-S299 WeakPolarHBondContact CG1-O 3.47Å; V297-L300 HydrophobicContact CG1-CB 4.45Å; V297-S331 VanDerWaalsContact C-OG 3.25Å; V297-S331 PolarHBondContact N-OG 3.1Å; V297-S331 CarbonylContact O-C 3.59Å; V297-S331 PolarHBondContact O-OG 2.94Å; V297-V332 HydrophobicContact CB-CG2 4.41Å; V297-V332 VanDerWaalsContact O-CA 3.26Å; V297-V332 WeakPolarHBondContact O-CA 3.39Å; V297-V332 WeakPolarHBondContact O-CG2 3.2Å; V297-V332 PolarHBondContact O-N 3.36Å; V297-V332 VanDerWaalsContact O-N 3.08Å
298	S	96	Very high	93	Very high	39 Å²	39	25.9 Å²	25.9	27%	0.273	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-46	-178.2	-52.3	0	0	0	0	112	L270 G271 V332 T333 I334	L270-S298 PolarHBondContact O-N 3.38Å; G271-S298 CarbonylContact O-C 3.59Å; G271-S298 WeakPolarHBondContact O-CB 3.49Å; G271-S298 PolarHBondContact O-N 3Å; S298-V332 WeakPolarHBondContact O-CA 3.5Å; S298-T333 PolarHBondContact O-N 2.88Å; S298-T333 PolarHBondContact O-OG1 3.01Å; S298-T333 VanDerWaalsContact O-OG1 3.12Å; S298-I334 PolarHBondContact O-N 2.96Å; S298-I334 VanDerWaalsContact O-N 3.1Å
299	S	98	Very high	91.9	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.5	176.6	-174.3	0	0	0	0	110.2	G271 T272 L273 V297 I334	G271-S299 WeakPolarHBondContact O-CB 3.23Å; G271-S299 PolarHBondContact O-N 2.84Å; T272-S299 WeakPolarHBondContact CA-O 3.43Å; L273-S299 PolarHBondContact N-O 3.01Å; V297-S299 WeakPolarHBondContact CG1-O 3.47Å; S299-I334 WeakPolarHBondContact CA-O 3.41Å
300	L	97.9	Very high	90.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.2	178	-176.2	62.7	0	0	0	109.3	L273 L275 V297 L302 L327 V332 I334 L335 H336	L273-L300 HydrophobicContact CB-CD1 4.33Å; L273-L300 HydrophobicContact CD2-CD1 4.07Å; L273-L300 HydrophobicContact CG-CD1 4.25Å; L275-L300 HydrophobicContact CD1-CD1 3.81Å; V297-L300 HydrophobicContact CG1-CB 4.45Å; L300-L302 HydrophobicContact CD2-CD1 3.96Å; L300-L302 HydrophobicContact CG-CD1 4.09Å; L300-L302 HydrophobicContact CG-CG 4.16Å; L300-L327 HydrophobicContact CD2-CD1 3.97Å; L300-V332 HydrophobicContact CB-CG1 4.41Å; L300-V332 HydrophobicContact CB-CG2 4.48Å; L300-I334 PolarHBondContact N-O 3.08Å; L300-L335 HydrophobicContact CB-CD1 4.16Å; L300-L335 HydrophobicContact CD2-CD1 4.12Å; L300-L335 HydrophobicContact CG-CD1 4.24Å; L300-L335 WeakPolarHBondContact O-CA 3.29Å; L300-H336 PolarHBondContact O-N 2.82Å
301	I	98.4	Very high	88.6	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.4	-177.7	-49.9	179.6	0	0	0	109.2	T272 L273 D274 L275 S276 T303 H336	T272-I301 HydrophobicContact CG2-CD1 3.55Å; T272-I301 HydrophobicContact CG2-CG1 4.09Å; L273-I301 PolarHBondContact O-N 3.31Å; D274-I301 HydrophobicContact CB-CB 4.34Å; D274-I301 HydrophobicContact CB-CD1 4.49Å; L275-I301 PolarHBondContact N-O 2.69Å; S276-I301 WeakPolarHBondContact OG-CG2 3.13Å; I301-T303 HydrophobicContact CG2-CG2 3.78Å; I301-H336 HydrophobicContact CB-CB 4.46Å; I301-H336 HydrophobicContact CG2-CB 4Å
302	L	97.2	Very high	86.8	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	21%	0.213	C	C	.	.			trans	-127.1	43.4	-178.3	-69.4	167	0	0	0	109.9	L275 W280 T285 L300 H305 F324 L335 H336 L337	L275-L302 HydrophobicContact CB-CD2 3.71Å; L275-L302 HydrophobicContact CD1-CD2 4.05Å; W280-L302 HydrophobicContact CE3-CD2 3.63Å; W280-L302 HydrophobicContact CZ3-CD2 3.64Å; T285-L302 HydrophobicContact CG2-CD1 4.34Å; L300-L302 HydrophobicContact CD2-CD1 3.96Å; L300-L302 HydrophobicContact CG-CD1 4.09Å; L300-L302 HydrophobicContact CG-CG 4.16Å; L302-H305 PolarHBondContact O-CD2 2.98Å; L302-F324 HydrophobicContact CD1-CE1 4.36Å; L302-L335 HydrophobicContact CD1-CD1 4.33Å; L302-H336 CarbonylContact C-O 3.51Å; L302-H336 WeakPolarHBondContact CA-O 3.32Å; L302-H336 WeakPolarHBondContact CB-O 3.21Å; L302-H336 PolarHBondContact N-O 3.44Å; L302-L337 HydrophobicContact CB-CD2 3.92Å; L302-L337 HydrophobicContact CD1-CD2 3.97Å
303	T	96.4	Very high	84.8	Confident	18 Å²	18	46.4 Å²	46.4	11%	0.11	26%	0.257	C	S	.	.			trans	-74	160.4	-177.8	74.1	0	0	0	0	112.1	S276 S277 I301 H305 H336 S338	S276-T303 CarbonylContact C-O 3.52Å; S276-T303 WeakPolarHBondContact CA-O 3Å; S276-T303 WeakPolarHBondContact CB-O 2.96Å; S276-T303 WeakPolarHBondContact CB-OG1 3.41Å; S276-T303 PolarHBondContact OG-N 3.49Å; S276-T303 VanDerWaalsContact OG-N 3.17Å; S276-T303 PolarHBondContact OG-OG1 3.13Å; S277-T303 PolarHBondContact N-O 2.71Å; I301-T303 HydrophobicContact CG2-CG2 3.78Å; T303-H305 VanDerWaalsContact C-N 3.25Å; T303-H305 PolarHBondContact O-N 3.27Å; T303-H336 HydrophobicContact CG2-CB 4.03Å; T303-S338 CarbonylContact C-O 3.46Å; T303-S338 VanDerWaalsContact CA-O 3.27Å; T303-S338 WeakPolarHBondContact CA-O 3.41Å; T303-S338 WeakPolarHBondContact CG2-OG 3.45Å
304	H	94.3	Very high	83.4	Confident	91 Å²	91	49.3 Å²	49.3	42%	0.421	27%	0.271	S	S	.	.	S	Bend	trans	57	41.1	178.8	-58.9	84.1	0	0	0	112.6	S277 S338 H339	S277-H304 WeakPolarHBondContact OG-CB 3.3Å; H304-S338 PolarHBondContact N-O 3.27Å; H304-H339 VanDerWaalsContact CA-O 3.25Å; H304-H339 WeakPolarHBondContact CA-O 3.4Å; H304-H339 AromaticContact CE1-CG 3.86Å; H304-H339 AromaticContact CE1-ND1 3.99Å; H304-H339 AromaticContact NE2-CD2 3.96Å; H304-H339 AromaticContact NE2-CG 3.72Å
305	H	93	Very high	82.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.028	29%	0.292	C	S	.	.			trans	-89.9	178.3	176.5	68.4	87.2	0	0	0	111.4	L302 T303 M307 L337 G340	L302-H305 PolarHBondContact O-CD2 2.98Å; T303-H305 VanDerWaalsContact C-N 3.25Å; T303-H305 PolarHBondContact O-N 3.27Å; H305-M307 HydrophobicContact CB-CE 4.14Å; H305-M307 WeakPolarHBondContact CE1-CE 3.49Å; H305-M307 VanDerWaalsContact ND1-CB 3.31Å; H305-M307 WeakPolarHBondContact ND1-CB 3.44Å; H305-M307 WeakPolarHBondContact ND1-CE 2.86Å; H305-M307 WeakPolarHBondContact ND1-CG 3.04Å; H305-M307 PolarHBondContact ND1-N 3.29Å; H305-M307 VanDerWaalsContact ND1-N 3.2Å; H305-L337 PolarHBondContact NE2-O 2.67Å; H305-G340 WeakPolarHBondContact CD2-CA 3.24Å; H305-G340 WeakPolarHBondContact CE1-CA 3.18Å; H305-G340 PolarHBondContact CE1-O 3.07Å; H305-G340 WeakPolarHBondContact ND1-CA 3.29Å; H305-G340 PolarHBondContact ND1-O 3.36Å; H305-G340 VanDerWaalsContact NE2-CA 3.29Å; H305-G340 WeakPolarHBondContact NE2-CA 3.29Å; H305-G340 CarbonylContact O-C 3.44Å; H305-G340 VanDerWaalsContact O-CA 3.3Å; H305-G340 WeakPolarHBondContact O-CA 3.46Å
306	I	90.3	Very high	82	Confident	62 Å²	62	56.3 Å²	56.3	32%	0.318	30%	0.298	S	S	.	.			trans	-128.2	61.3	-178.7	-42.8	176	0	0	0	108.7	W280 T281 I316	W280-I306 CarbonylContact O-C 3.33Å; W280-I306 WeakPolarHBondContact O-CA 3.46Å; W280-I306 PolarHBondContact O-N 3.21Å; T281-I306 WeakPolarHBondContact CA-O 3.12Å; I306-I316 HydrophobicContact CG2-CD1 3.49Å; I306-I316 VanDerWaalsContact CG2-CD1 3.49Å; I306-I316 WeakPolarHBondContact O-CG2 3.17Å
307	M	90.4	Very high	81.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.315	C	S	.	.			trans	-115	81.5	179.2	-58.2	-174.7	-90.9	0	0	109.5	V282 T285 H305 K317 T323 F324 L337 G340 I342	V282-M307 HydrophobicContact CG2-CB 3.65Å; V282-M307 HydrophobicContact CG2-CG 3.83Å; V282-M307 HydrophobicContact CG2-SD 4.28Å; T285-M307 HydrophobicContact CG2-CE 4.18Å; T285-M307 HydrophobicContact CG2-SD 3.89Å; T285-M307 PolarHBondContact OG1-SD 2.95Å; T285-M307 VanDerWaalsContact OG1-SD 3.33Å; H305-M307 HydrophobicContact CB-CE 4.14Å; H305-M307 WeakPolarHBondContact CE1-CE 3.49Å; H305-M307 VanDerWaalsContact ND1-CB 3.31Å; H305-M307 WeakPolarHBondContact ND1-CB 3.44Å; H305-M307 WeakPolarHBondContact ND1-CE 2.86Å; H305-M307 WeakPolarHBondContact ND1-CG 3.04Å; H305-M307 PolarHBondContact ND1-N 3.29Å; H305-M307 VanDerWaalsContact ND1-N 3.2Å; M307-K317 CarbonylContact C-O 3.41Å; M307-T323 HydrophobicContact SD-CG2 4.37Å; M307-F324 HydrophobicContact CE-CZ 4.43Å; M307-L337 HydrophobicContact CE-CD2 3.63Å; M307-G340 CarbonylContact C-O 3.56Å; M307-G340 PolarHBondContact N-O 2.85Å; M307-I342 WeakPolarHBondContact O-CA 3.27Å; M307-I342 WeakPolarHBondContact O-CG1 3.32Å; M307-I342 PolarHBondContact O-N 3.13Å
308	G	82.6	Confident	81.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.01	32%	0.32	C	S	.	.	S	Bend	trans	165.3	152.3	172.3	0	0	0	0	0	113.1	G310 I316 K317 D318 Y341	G308-G310 PolarHBondContact O-N 3.17Å; G308-G310 VanDerWaalsContact O-N 3.1Å; G308-I316 CarbonylContact C-O 3.47Å; G308-I316 WeakPolarHBondContact O-CB 3.37Å; G308-K317 PolarHBondContact N-O 2.89Å; G308-D318 VanDerWaalsContact CA-OD1 3.28Å; G308-D318 WeakPolarHBondContact CA-OD1 3.3Å; G308-Y341 WeakPolarHBondContact CA-O 3.07Å
309	S	70.7	Confident	81.7	Confident	44 Å²	44	59.4 Å²	59.4	31%	0.308	31%	0.307	S	S	.	.			trans	-71.9	106.3	-177	59.6	0	0	0	0	110	I316	S309-I316 WeakPolarHBondContact CA-O 3.09Å; S309-I316 WeakPolarHBondContact CB-O 3.28Å; S309-I316 PolarHBondContact N-O 3.06Å; S309-I316 VanDerWaalsContact N-O 3.12Å
310	G	60.9	Low	81.5	Confident	36 Å²	36	62 Å²	62	37%	0.371	32%	0.321	S	S	.	.			trans	-72.5	168.2	165.9	0	0	0	0	0	111.9	G308 G312	G308-G310 PolarHBondContact O-N 3.17Å; G308-G310 VanDerWaalsContact O-N 3.1Å; G310-G312 PolarHBondContact O-N 2.84Å
311	F	55.8	Low	81.4	Confident	193 Å²	193	66.8 Å²	66.8	85%	0.846	34%	0.343	S	S	*	.	S	Bend	trans	-69.4	17.9	170	-65.9	-81.2	0	0	0	113.7
312	G	54.1	Low	81.2	Confident	48 Å²	48	71.2 Å²	71.2	50%	0.495	37%	0.367	S	S	.	.	S	Bend	trans	-114.1	164.2	-174.5	0	0	0	0	0	113	G310 Q314	G310-G312 PolarHBondContact O-N 2.84Å; G312-Q314 PolarHBondContact O-N 2.86Å
313	F	49.6	Very low	81.2	Confident	216 Å²	216	71 Å²	71	95%	0.947	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	3	-172.3	-62.9	-85	0	0	0	116.9
314	Q	59.3	Low	81.1	Confident	163 Å²	163	70.2 Å²	70.2	76%	0.762	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	3.3	-169.4	-70.7	-170.2	-11.5	0	0	115.8	G312 I316	G312-Q314 PolarHBondContact O-N 2.86Å; Q314-I316 HydrophobicContact CB-CD1 4.27Å; Q314-I316 HydrophobicContact CB-CG1 3.98Å; Q314-I316 PolarHBondContact O-N 2.88Å
315	N	67.3	Low	81.1	Confident	155 Å²	155	67.6 Å²	67.6	83%	0.829	36%	0.355	S	S	*	.			trans	42.6	37.7	173.7	-82.7	-8.3	0	0	0	114.7	K317	N315-K317 PolarHBondContact O-N 2.94Å
316	I	81.2	Confident	81	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.179	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-69	129.8	-178.1	-56.5	-179	0	0	0	108.2	I306 G308 S309 Q314	I306-I316 HydrophobicContact CG2-CD1 3.49Å; I306-I316 VanDerWaalsContact CG2-CD1 3.49Å; I306-I316 WeakPolarHBondContact O-CG2 3.17Å; G308-I316 CarbonylContact C-O 3.47Å; G308-I316 WeakPolarHBondContact O-CB 3.37Å; S309-I316 WeakPolarHBondContact CA-O 3.09Å; S309-I316 WeakPolarHBondContact CB-O 3.28Å; S309-I316 PolarHBondContact N-O 3.06Å; S309-I316 VanDerWaalsContact N-O 3.12Å; Q314-I316 HydrophobicContact CB-CD1 4.27Å; Q314-I316 HydrophobicContact CB-CG1 3.98Å; Q314-I316 PolarHBondContact O-N 2.88Å
317	K	89.1	Confident	81.2	Confident	139 Å²	139	64.9 Å²	64.9	60%	0.604	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-75.8	148.6	-177.5	-63.8	177.4	-175.1	168.2	0	111	V282 M307 G308 N315	V282-K317 HydrophobicContact CG2-CB 4.45Å; V282-K317 WeakPolarHBondContact CG2-O 3.28Å; M307-K317 CarbonylContact C-O 3.41Å; G308-K317 PolarHBondContact N-O 2.89Å; N315-K317 PolarHBondContact O-N 2.94Å
318	D	93.4	Very high	81.1	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.123	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-73.6	153.2	161.3	-73	-56.7	0	0	0	110.5	G308 F343 S344	G308-D318 VanDerWaalsContact CA-OD1 3.28Å; G308-D318 WeakPolarHBondContact CA-OD1 3.3Å; D318-F343 PolarHBondContact OD1-N 2.95Å; D318-S344 WeakPolarHBondContact CB-O 3.39Å; D318-S344 VanDerWaalsContact CG-N 3.33Å; D318-S344 PolarHBondContact OD1-N 2.99Å; D318-S344 WeakPolarHBondContact OD2-CB 3.37Å; D318-S344 PolarHBondContact OD2-N 3.2Å
319	P	95.4	Very high	81.3	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.006	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.8	144.2	176.4	27.3	-34.9	0	0	0	111.5	V282 T323 F324 I342 N346 V349	V282-P319 HydrophobicContact CG2-CB 4.5Å; P319-T323 HydrophobicContact CB-CG2 4.04Å; P319-F324 HydrophobicContact CB-CE2 4.22Å; P319-I342 HydrophobicContact CG-CD1 4.38Å; P319-I342 HydrophobicContact CG-CG1 4.41Å; P319-I342 HydrophobicContact CG-CG2 4.31Å; P319-N346 PolarHBondContact O-ND2 3.01Å; P319-V349 HydrophobicContact CB-CG2 3.85Å; P319-V349 HydrophobicContact CG-CG2 4.22Å
320	D	94.8	Very high	81.8	Confident	58 Å²	58	75.2 Å²	75.2	31%	0.31	39%	0.389	S	S	.	.			trans	-124.5	-178.8	-178	74.5	-2.4	0	0	0	111.9	N322 T323	D320-N322 PolarHBondContact O-N 2.98Å; D320-N322 WeakPolarHBondContact OD1-CA 3.46Å; D320-N322 WeakPolarHBondContact OD1-CB 3.4Å; D320-N322 PolarHBondContact OD1-N 3.02Å; D320-T323 PolarHBondContact N-OG1 3.46Å; D320-T323 WeakPolarHBondContact O-CB 3.47Å; D320-T323 PolarHBondContact O-N 3.13Å; D320-T323 VanDerWaalsContact O-N 3.11Å; D320-T323 PolarHBondContact O-OG1 2.95Å; D320-T323 PolarHBondContact OD1-N 3.18Å; D320-T323 PolarHBondContact OD1-OG1 3.46Å
321	Q	95.4	Very high	83.1	Confident	103 Å²	103	74.2 Å²	74.2	48%	0.481	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	179.4	70.1	-178.7	11.3	0	0	114.3	R348	Q321-R348 HydrophobicContact CB-CB 4.47Å
322	N	95.2	Very high	85	Confident	97 Å²	97	65.1 Å²	65.1	52%	0.519	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-24.7	-178.2	-59.4	-45.4	0	0	0	112	D320 F324 A325	D320-N322 PolarHBondContact O-N 2.98Å; D320-N322 WeakPolarHBondContact OD1-CA 3.46Å; D320-N322 WeakPolarHBondContact OD1-CB 3.4Å; D320-N322 PolarHBondContact OD1-N 3.02Å; N322-F324 VanDerWaalsContact C-N 3.29Å; N322-F324 PolarHBondContact O-N 3.22Å; N322-A325 WeakPolarHBondContact O-CB 3.5Å; N322-A325 PolarHBondContact O-N 2.93Å; N322-A325 VanDerWaalsContact O-N 3.14Å
323	T	95.8	Very high	87.1	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.012	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40	-172.7	-54.3	0	0	0	0	112.8	V282 T285 G286 S289 M307 P319 D320	V282-T323 HydrophobicContact CG1-CG2 4.08Å; V282-T323 WeakPolarHBondContact CG1-OG1 3.46Å; T285-T323 HydrophobicContact CG2-CG2 4.03Å; G286-T323 WeakPolarHBondContact CA-O 3.37Å; S289-T323 WeakPolarHBondContact CB-O 3.18Å; S289-T323 PolarHBondContact OG-O 3.3Å; M307-T323 HydrophobicContact SD-CG2 4.37Å; P319-T323 HydrophobicContact CB-CG2 4.04Å; D320-T323 PolarHBondContact N-OG1 3.46Å; D320-T323 WeakPolarHBondContact O-CB 3.47Å; D320-T323 PolarHBondContact O-N 3.13Å; D320-T323 VanDerWaalsContact O-N 3.11Å; D320-T323 PolarHBondContact O-OG1 2.95Å; D320-T323 PolarHBondContact OD1-N 3.18Å; D320-T323 PolarHBondContact OD1-OG1 3.46Å
324	F	95.9	Very high	89.4	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	12.3	178.8	-57.7	-72.6	0	0	0	113.3	T285 L302 M307 P319 N322 G326 L327 L337 V349 F350 T352 L353	T285-F324 HydrophobicContact CG2-CD1 4.47Å; T285-F324 HydrophobicContact CG2-CE1 3.77Å; T285-F324 HydrophobicContact CG2-CZ 4.26Å; L302-F324 HydrophobicContact CD1-CE1 4.36Å; M307-F324 HydrophobicContact CE-CZ 4.43Å; P319-F324 HydrophobicContact CB-CE2 4.22Å; N322-F324 VanDerWaalsContact C-N 3.29Å; N322-F324 PolarHBondContact O-N 3.22Å; F324-G326 VanDerWaalsContact C-N 3.31Å; F324-G326 PolarHBondContact O-N 2.94Å; F324-L327 HydrophobicContact CB-CD1 4.46Å; F324-L327 HydrophobicContact CD1-CD1 4.02Å; F324-L327 WeakPolarHBondContact O-CB 3.29Å; F324-L327 PolarHBondContact O-N 3.12Å; F324-L327 VanDerWaalsContact O-N 3.11Å; F324-L337 HydrophobicContact CE1-CD2 4.31Å; F324-L337 HydrophobicContact CE2-CD1 4.15Å; F324-L337 HydrophobicContact CZ-CD1 3.76Å; F324-L337 HydrophobicContact CZ-CD2 3.85Å; F324-L337 HydrophobicContact CZ-CG 4.47Å; F324-V349 HydrophobicContact CD2-CG2 4.28Å; F324-V349 HydrophobicContact CE2-CG2 4.35Å; F324-F350 HydrophobicContact CD2-CD1 4.07Å; F324-F350 HydrophobicContact CD2-CE1 4.05Å; F324-F350 HydrophobicContact CE2-CD1 4.32Å; F324-F350 AromaticContact CE2-CE1 3.83Å; F324-F350 HydrophobicContact CE2-CE1 3.83Å; F324-T352 PolarHBondContact O-OG1 2.94Å; F324-T352 VanDerWaalsContact O-OG1 3.04Å; F324-L353 HydrophobicContact CB-CD1 4.44Å
325	A	93.8	Very high	91.3	Very high	36 Å²	36	47.5 Å²	47.5	30%	0.298	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62.7	-36.7	-175	0	0	0	0	0	112.9	N322 L327 A328	N322-A325 WeakPolarHBondContact O-CB 3.5Å; N322-A325 PolarHBondContact O-N 2.93Å; N322-A325 VanDerWaalsContact O-N 3.14Å; A325-L327 PolarHBondContact O-N 3.43Å; A325-L327 VanDerWaalsContact O-N 3.16Å; A325-A328 VanDerWaalsContact O-CB 3.31Å; A325-A328 WeakPolarHBondContact O-CB 3.38Å; A325-A328 PolarHBondContact O-N 3.44Å; A325-A328 VanDerWaalsContact O-N 3.1Å
326	G	91.3	Very high	92.8	Very high	7 Å²	7	40.7 Å²	40.7	7%	0.072	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.5	177.2	0	0	0	0	0	114.2	S289 Q293 F324 A328	S289-G326 CarbonylContact O-C 3.56Å; S289-G326 VanDerWaalsContact O-C 3.26Å; S289-G326 VanDerWaalsContact O-CA 3.29Å; S289-G326 WeakPolarHBondContact O-CA 3.46Å; Q293-G326 WeakPolarHBondContact CG-O 3.37Å; F324-G326 VanDerWaalsContact C-N 3.31Å; F324-G326 PolarHBondContact O-N 2.94Å; G326-A328 PolarHBondContact O-N 2.97Å
327	L	93.3	Very high	93.5	Very high	3 Å²	3	39 Å²	39	2%	0.016	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80	3.7	177.1	-56.1	-175.9	0	0	0	113.9	I292 L300 F324 A325 R329 S330 L353	I292-L327 HydrophobicContact CD1-CD2 3.69Å; I292-L327 HydrophobicContact CG1-CD2 3.88Å; L300-L327 HydrophobicContact CD2-CD1 3.97Å; F324-L327 HydrophobicContact CB-CD1 4.46Å; F324-L327 HydrophobicContact CD1-CD1 4.02Å; F324-L327 WeakPolarHBondContact O-CB 3.29Å; F324-L327 PolarHBondContact O-N 3.12Å; F324-L327 VanDerWaalsContact O-N 3.11Å; A325-L327 PolarHBondContact O-N 3.43Å; A325-L327 VanDerWaalsContact O-N 3.16Å; L327-R329 PolarHBondContact O-N 3.42Å; L327-R329 VanDerWaalsContact O-N 3.08Å; L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 2.99Å; L327-S330 PolarHBondContact O-OG 3.18Å; L327-L353 HydrophobicContact CB-CD2 3.63Å; L327-L353 HydrophobicContact CD1-CD2 4.17Å
328	A	88.8	Confident	93.9	Very high	55 Å²	55	32.9 Å²	32.9	46%	0.455	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-56.5	-28.4	-179.1	0	0	0	0	0	114.4	A325 G326 T352	A325-A328 VanDerWaalsContact O-CB 3.31Å; A325-A328 WeakPolarHBondContact O-CB 3.38Å; A325-A328 PolarHBondContact O-N 3.44Å; A325-A328 VanDerWaalsContact O-N 3.1Å; G326-A328 PolarHBondContact O-N 2.97Å; A328-T352 HydrophobicContact CB-CG2 3.96Å
329	R	85.7	Confident	94	Very high	193 Å²	193	35.4 Å²	35.4	73%	0.728	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-103.6	12.4	177.2	-65.3	-176.3	177.1	175.9	-0.1	113.1	L327	L327-R329 PolarHBondContact O-N 3.42Å; L327-R329 VanDerWaalsContact O-N 3.08Å
330	S	81.7	Confident	93.7	Very high	15 Å²	15	35.4 Å²	35.4	11%	0.105	19%	0.187	C	C	.	.	S	Bend	trans	-81.7	164.7	179.8	76.1	0	0	0	0	112.1	L327 V332	L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 2.99Å; L327-S330 PolarHBondContact O-OG 3.18Å; S330-V332 VanDerWaalsContact C-N 3.32Å; S330-V332 WeakPolarHBondContact OG-CG2 3.16Å; S330-V332 PolarHBondContact OG-N 2.96Å
331	S	89.2	Confident	93.6	Very high	16 Å²	16	38.3 Å²	38.3	11%	0.112	20%	0.195	C	C	.	.			trans	-92.2	14.1	171.6	54.4	0	0	0	0	113.1	Q296 V297 T333	Q296-S331 VanDerWaalsContact C-OG 3.32Å; Q296-S331 WeakPolarHBondContact CA-OG 3.42Å; V297-S331 VanDerWaalsContact C-OG 3.25Å; V297-S331 PolarHBondContact N-OG 3.1Å; V297-S331 CarbonylContact O-C 3.59Å; V297-S331 PolarHBondContact O-OG 2.94Å; S331-T333 PolarHBondContact O-N 3.18Å; S331-T333 VanDerWaalsContact O-N 3.14Å
332	V	95.5	Very high	93.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.172	C	C	.	.			trans	-64	117.7	-171	177.6	0	0	0	0	110.5	V297 S298 L300 S330 I334 L335 L356	V297-V332 HydrophobicContact CB-CG2 4.41Å; V297-V332 VanDerWaalsContact O-CA 3.26Å; V297-V332 WeakPolarHBondContact O-CA 3.39Å; V297-V332 WeakPolarHBondContact O-CG2 3.2Å; V297-V332 PolarHBondContact O-N 3.36Å; V297-V332 VanDerWaalsContact O-N 3.08Å; S298-V332 WeakPolarHBondContact O-CA 3.5Å; L300-V332 HydrophobicContact CB-CG1 4.41Å; L300-V332 HydrophobicContact CB-CG2 4.48Å; S330-V332 VanDerWaalsContact C-N 3.32Å; S330-V332 WeakPolarHBondContact OG-CG2 3.16Å; S330-V332 PolarHBondContact OG-N 2.96Å; V332-I334 WeakPolarHBondContact CG1-O 3.49Å; V332-L335 HydrophobicContact CG1-CB 4.46Å; V332-L356 HydrophobicContact CG1-CD1 3.97Å
333	T	97.3	Very high	93.4	Very high	38 Å²	38	31.7 Å²	31.7	23%	0.233	16%	0.16	C	C	.	.			trans	-106.1	-22.3	174.2	52.7	0	0	0	0	111.9	S298 S331 Q357 L358	S298-T333 PolarHBondContact O-N 2.88Å; S298-T333 PolarHBondContact O-OG1 3.01Å; S298-T333 VanDerWaalsContact O-OG1 3.12Å; S331-T333 PolarHBondContact O-N 3.18Å; S331-T333 VanDerWaalsContact O-N 3.14Å; T333-Q357 WeakPolarHBondContact O-CA 3.37Å; T333-Q357 PolarHBondContact O-N 3.33Å; T333-L358 PolarHBondContact O-N 2.87Å
334	I	98.4	Very high	93.4	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.092	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128	-177.4	-58.5	178.8	0	0	0	109.2	L34 S298 S299 L300 V332 H336 L358	L34-I334 HydrophobicContact CD1-CD1 3.36Å; L34-I334 HydrophobicContact CD2-CD1 3.47Å; L34-I334 VanDerWaalsContact CD2-CD1 3.47Å; L34-I334 HydrophobicContact CG-CD1 4Å; S298-I334 PolarHBondContact O-N 2.96Å; S298-I334 VanDerWaalsContact O-N 3.1Å; S299-I334 WeakPolarHBondContact CA-O 3.41Å; L300-I334 PolarHBondContact N-O 3.08Å; V332-I334 WeakPolarHBondContact CG1-O 3.49Å; I334-H336 VanDerWaalsContact CG2-NE2 3.32Å; I334-H336 WeakPolarHBondContact CG2-NE2 3.44Å; I334-L358 HydrophobicContact CG1-CB 4.21Å; I334-L358 HydrophobicContact CG2-CB 4.3Å; I334-L358 HydrophobicContact CG2-CD2 4.06Å
335	L	98.4	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118	178.8	-179.4	59.1	0	0	0	110.4	L300 L302 V332 L337 F350 L353 L356 L358 L359 N360	L300-L335 HydrophobicContact CB-CD1 4.16Å; L300-L335 HydrophobicContact CD2-CD1 4.12Å; L300-L335 HydrophobicContact CG-CD1 4.24Å; L300-L335 WeakPolarHBondContact O-CA 3.29Å; L302-L335 HydrophobicContact CD1-CD1 4.33Å; V332-L335 HydrophobicContact CG1-CB 4.46Å; L335-L337 HydrophobicContact CD1-CD2 4.34Å; L335-L337 HydrophobicContact CD1-CG 4.18Å; L335-L337 HydrophobicContact CD2-CD1 3.86Å; L335-L337 HydrophobicContact CD2-CG 4.34Å; L335-L337 HydrophobicContact CG-CD1 4.02Å; L335-L337 HydrophobicContact CG-CG 3.97Å; L335-F350 HydrophobicContact CD2-CD1 4.42Å; L335-F350 HydrophobicContact CD2-CE1 4.33Å; L335-L353 HydrophobicContact CD2-CD1 3.61Å; L335-L356 HydrophobicContact CB-CD1 3.61Å; L335-L356 HydrophobicContact CB-CD2 4.32Å; L335-L358 PolarHBondContact N-O 2.93Å; L335-L359 HydrophobicContact CB-CD1 4.28Å; L335-L359 HydrophobicContact CD2-CD1 4.16Å; L335-L359 HydrophobicContact CG-CD1 4.25Å; L335-N360 PolarHBondContact O-N 3.04Å
336	H	98.5	Very high	93.5	Very high	13 Å²	13	33 Å²	33	6%	0.06	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.3	174.3	-66.3	-99.4	0	0	0	110.8	L300 I301 L302 T303 I334 N360	L300-H336 PolarHBondContact O-N 2.82Å; I301-H336 HydrophobicContact CB-CB 4.46Å; I301-H336 HydrophobicContact CG2-CB 4Å; L302-H336 CarbonylContact C-O 3.51Å; L302-H336 WeakPolarHBondContact CA-O 3.32Å; L302-H336 WeakPolarHBondContact CB-O 3.21Å; L302-H336 PolarHBondContact N-O 3.44Å; T303-H336 HydrophobicContact CG2-CB 4.03Å; I334-H336 VanDerWaalsContact CG2-NE2 3.32Å; I334-H336 WeakPolarHBondContact CG2-NE2 3.44Å; H336-N360 PolarHBondContact ND1-ND2 3.14Å
337	L	97.6	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.			trans	-129.3	36	179.5	-66.7	171.2	0	0	0	110.1	L302 H305 M307 F324 L335 I342 F350 L359 N360 L361 N364	L302-L337 HydrophobicContact CB-CD2 3.92Å; L302-L337 HydrophobicContact CD1-CD2 3.97Å; H305-L337 PolarHBondContact NE2-O 2.67Å; M307-L337 HydrophobicContact CE-CD2 3.63Å; F324-L337 HydrophobicContact CE1-CD2 4.31Å; F324-L337 HydrophobicContact CE2-CD1 4.15Å; F324-L337 HydrophobicContact CZ-CD1 3.76Å; F324-L337 HydrophobicContact CZ-CD2 3.85Å; F324-L337 HydrophobicContact CZ-CG 4.47Å; L335-L337 HydrophobicContact CD1-CD2 4.34Å; L335-L337 HydrophobicContact CD1-CG 4.18Å; L335-L337 HydrophobicContact CD2-CD1 3.86Å; L335-L337 HydrophobicContact CD2-CG 4.34Å; L335-L337 HydrophobicContact CG-CD1 4.02Å; L335-L337 HydrophobicContact CG-CG 3.97Å; L337-I342 HydrophobicContact CB-CD1 4.35Å; L337-F350 HydrophobicContact CD1-CE1 3.75Å; L337-F350 HydrophobicContact CD1-CZ 4.1Å; L337-L359 HydrophobicContact CD1-CD1 4.38Å; L337-N360 CarbonylContact C-O 3.53Å; L337-N360 WeakPolarHBondContact CA-O 3.48Å; L337-N360 PolarHBondContact N-O 3.43Å; L337-L361 HydrophobicContact CB-CD2 3.82Å; L337-L361 HydrophobicContact CD1-CD2 4.05Å; L337-N364 PolarHBondContact O-ND2 3.03Å
338	S	96.9	Very high	93.8	Very high	10 Å²	10	39.7 Å²	39.7	7%	0.07	19%	0.193	C	C	.	.			trans	-80.4	157.9	-177.7	71.1	0	0	0	0	112.1	T303 H304 G340 A362	T303-S338 CarbonylContact C-O 3.46Å; T303-S338 VanDerWaalsContact CA-O 3.27Å; T303-S338 WeakPolarHBondContact CA-O 3.41Å; T303-S338 WeakPolarHBondContact CG2-OG 3.45Å; H304-S338 PolarHBondContact N-O 3.27Å; S338-G340 VanDerWaalsContact C-N 3.28Å; S338-G340 PolarHBondContact O-N 2.8Å; S338-A362 WeakPolarHBondContact CA-O 3.24Å; S338-A362 WeakPolarHBondContact CB-O 3.31Å
339	H	94.6	Very high	94.2	Very high	76 Å²	76	37.1 Å²	37.1	35%	0.352	17%	0.172	S	C	.	.	S	Bend	trans	59.6	35.1	175.7	-53.7	83.1	0	0	0	113.9	H304 A362 S363	H304-H339 VanDerWaalsContact CA-O 3.25Å; H304-H339 WeakPolarHBondContact CA-O 3.4Å; H304-H339 AromaticContact CE1-CG 3.86Å; H304-H339 AromaticContact CE1-ND1 3.99Å; H304-H339 AromaticContact NE2-CD2 3.96Å; H304-H339 AromaticContact NE2-CG 3.72Å; H339-A362 PolarHBondContact N-O 3.26Å; H339-A362 VanDerWaalsContact N-O 3.11Å; H339-S363 VanDerWaalsContact CA-O 3.28Å; H339-S363 WeakPolarHBondContact CA-O 3.24Å; H339-S363 VanDerWaalsContact CD2-CB 3.44Å; H339-S363 WeakPolarHBondContact CD2-CB 3.39Å; H339-S363 PolarHBondContact N-O 3.06Å; H339-S363 VanDerWaalsContact NE2-CB 3.29Å; H339-S363 WeakPolarHBondContact NE2-CB 3.45Å; H339-S363 PolarHBondContact NE2-OG 3Å
340	G	90.3	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-109.3	0.3	-164.1	0	0	0	0	0	118	H305 M307 S338 I342 N364	H305-G340 WeakPolarHBondContact CD2-CA 3.24Å; H305-G340 WeakPolarHBondContact CE1-CA 3.18Å; H305-G340 PolarHBondContact CE1-O 3.07Å; H305-G340 WeakPolarHBondContact ND1-CA 3.29Å; H305-G340 PolarHBondContact ND1-O 3.36Å; H305-G340 VanDerWaalsContact NE2-CA 3.29Å; H305-G340 WeakPolarHBondContact NE2-CA 3.29Å; H305-G340 CarbonylContact O-C 3.44Å; H305-G340 VanDerWaalsContact O-CA 3.3Å; H305-G340 WeakPolarHBondContact O-CA 3.46Å; M307-G340 CarbonylContact C-O 3.56Å; M307-G340 PolarHBondContact N-O 2.85Å; S338-G340 VanDerWaalsContact C-N 3.28Å; S338-G340 PolarHBondContact O-N 2.8Å; G340-I342 PolarHBondContact O-N 3.23Å; G340-N364 WeakPolarHBondContact CA-OD1 3.3Å; G340-N364 PolarHBondContact N-OD1 2.82Å
341	Y	91.4	Very high	95.4	Very high	119 Å²	119	30 Å²	30	47%	0.467	15%	0.146	S	C	.	.			trans	59.8	14.6	-172.6	-55.7	-62	0	0	0	116.5	G308 F343 N364 K365	G308-Y341 WeakPolarHBondContact CA-O 3.07Å; Y341-F343 PolarHBondContact O-N 3.48Å; Y341-N364 PolarHBondContact N-OD1 3.1Å; Y341-N364 VanDerWaalsContact N-OD1 3.09Å; Y341-K365 HydrophobicContact CD1-CD 3.86Å; Y341-K365 VanDerWaalsContact CD1-CE 3.44Å; Y341-K365 HydrophobicContact CD1-CG 4.4Å; Y341-K365 VanDerWaalsContact CD1-NZ 3.34Å
342	I	94.6	Very high	95.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.151	C	C	.	.			trans	-54.9	125.5	175.7	-57	169	0	0	0	108.8	M307 P319 L337 G340 L345 L361 N364 K365 I366	M307-I342 WeakPolarHBondContact O-CA 3.27Å; M307-I342 WeakPolarHBondContact O-CG1 3.32Å; M307-I342 PolarHBondContact O-N 3.13Å; P319-I342 HydrophobicContact CG-CD1 4.38Å; P319-I342 HydrophobicContact CG-CG1 4.41Å; P319-I342 HydrophobicContact CG-CG2 4.31Å; L337-I342 HydrophobicContact CB-CD1 4.35Å; G340-I342 PolarHBondContact O-N 3.23Å; I342-L345 HydrophobicContact CG2-CD2 3.92Å; I342-L361 HydrophobicContact CD1-CD2 3.82Å; I342-N364 HydrophobicContact CB-CB 4.17Å; I342-N364 PolarHBondContact N-OD1 3.13Å; I342-K365 CarbonylContact O-C 3.6Å; I342-K365 VanDerWaalsContact O-CA 3.27Å; I342-K365 WeakPolarHBondContact O-CA 3.45Å; I342-K365 PolarHBondContact O-N 3.46Å; I342-I366 HydrophobicContact CB-CG1 4.13Å; I342-I366 HydrophobicContact CG2-CD1 4.47Å; I342-I366 HydrophobicContact CG2-CG1 3.98Å; I342-I366 WeakPolarHBondContact O-CG1 3.36Å; I342-I366 PolarHBondContact O-N 3.42Å
343	F	93.5	Very high	95.6	Very high	61 Å²	61	31.1 Å²	31.1	27%	0.268	15%	0.151	S	C	.	.			trans	-102.9	-41.1	-178.5	176.8	-100.5	0	0	0	112.1	D318 Y341 I366 N367 K368	D318-F343 PolarHBondContact OD1-N 2.95Å; Y341-F343 PolarHBondContact O-N 3.48Å; F343-I366 WeakPolarHBondContact O-CA 3.38Å; F343-N367 HydrophobicContact CD2-CB 4.3Å; F343-N367 HydrophobicContact CE2-CB 3.73Å; F343-N367 HydrophobicContact CZ-CB 4.09Å; F343-N367 PolarHBondContact O-N 3.23Å; F343-K368 PolarHBondContact O-N 2.76Å
344	S	93.8	Very high	95.4	Very high	11 Å²	11	35 Å²	35	8%	0.077	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.1	179.8	-179.6	0	0	0	0	111.4	D318 N346 K368	D318-S344 WeakPolarHBondContact CB-O 3.39Å; D318-S344 VanDerWaalsContact CG-N 3.33Å; D318-S344 PolarHBondContact OD1-N 2.99Å; D318-S344 WeakPolarHBondContact OD2-CB 3.37Å; D318-S344 PolarHBondContact OD2-N 3.2Å; S344-N346 PolarHBondContact O-N 3Å; S344-K368 WeakPolarHBondContact CA-O 3.08Å
345	L	96.3	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.7	167.5	-63.4	-179.1	0	0	0	109.2	I342 L361 I366 K368 I369 A370 A373 F374	I342-L345 HydrophobicContact CG2-CD2 3.92Å; L345-L361 HydrophobicContact CD1-CD1 4.04Å; L345-L361 HydrophobicContact CD2-CD1 4.3Å; L345-L361 HydrophobicContact CD2-CD2 4.42Å; L345-I366 HydrophobicContact CD1-CD1 4.18Å; L345-I366 HydrophobicContact CD1-CG2 4.36Å; L345-I366 HydrophobicContact CD2-CD1 4.08Å; L345-I366 HydrophobicContact CG-CD1 4.11Å; L345-I366 HydrophobicContact CG-CG1 4.45Å; L345-I366 HydrophobicContact CG-CG2 4.11Å; L345-K368 PolarHBondContact N-O 2.87Å; L345-I369 HydrophobicContact CD1-CG1 4.35Å; L345-A370 WeakPolarHBondContact O-CB 3.15Å; L345-A370 PolarHBondContact O-N 2.67Å; L345-A373 HydrophobicContact CB-CB 4.03Å; L345-F374 HydrophobicContact CD1-CE1 3.84Å; L345-F374 HydrophobicContact CD1-CE2 4.47Å; L345-F374 HydrophobicContact CD1-CZ 3.5Å
346	N	95.6	Very high	95.2	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	19%	0.188	S	C	.	.			trans	-73.5	158.8	-179.3	-67.7	-37.5	0	0	0	112.2	P319 S344 R348 V349 A373	P319-N346 PolarHBondContact O-ND2 3.01Å; S344-N346 PolarHBondContact O-N 3Å; N346-R348 PolarHBondContact O-N 3.45Å; N346-V349 WeakPolarHBondContact O-CG1 3.28Å; N346-V349 PolarHBondContact O-N 3.45Å; N346-A373 WeakPolarHBondContact O-CA 3.42Å
347	S	96.3	Very high	95.2	Very high	52 Å²	52	44 Å²	44	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	135.6	179.5	-160	0	0	0	0	110.6	V349 D371	S347-V349 PolarHBondContact O-N 3.08Å; S347-V349 VanDerWaalsContact O-N 3.13Å; S347-D371 WeakPolarHBondContact CB-O 3.1Å; S347-D371 PolarHBondContact OG-O 2.9Å
348	R	96.2	Very high	95.3	Very high	99 Å²	99	45.8 Å²	45.8	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	21.3	174.8	-58.5	-178.4	-179.5	-141.3	6.5	115.9	Q321 N346 F350 E351 N372 Y375	Q321-R348 HydrophobicContact CB-CB 4.47Å; N346-R348 PolarHBondContact O-N 3.45Å; R348-F350 PolarHBondContact O-N 2.83Å; R348-F350 VanDerWaalsContact O-N 3.1Å; R348-E351 HydrophobicContact CB-CB 3.98Å; R348-E351 IonicContact CZ-OE1 3.63Å; R348-E351 IonicContact NE-OE1 3.93Å; R348-E351 IonicContact NH1-OE1 2.74Å; R348-E351 PolarHBondContact NH1-OE1 2.87Å; R348-E351 IonicContact NH1-OE2 3.95Å; R348-E351 WeakPolarHBondContact O-CB 3.22Å; R348-E351 PolarHBondContact O-N 3.32Å; R348-E351 VanDerWaalsContact O-N 3.12Å; R348-N372 PolarHBondContact N-O 2.91Å; R348-Y375 HydrophobicContact CG-CD1 4.33Å
349	V	97	Very high	95.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.4	-179	60.9	0	0	0	0	113.6	P319 F324 N346 S347	P319-V349 HydrophobicContact CB-CG2 3.85Å; P319-V349 HydrophobicContact CG-CG2 4.22Å; F324-V349 HydrophobicContact CD2-CG2 4.28Å; F324-V349 HydrophobicContact CE2-CG2 4.35Å; N346-V349 WeakPolarHBondContact O-CG1 3.28Å; N346-V349 PolarHBondContact O-N 3.45Å; S347-V349 PolarHBondContact O-N 3.08Å; S347-V349 VanDerWaalsContact O-N 3.13Å
350	F	96.8	Very high	95.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	16.3	179.1	-51	-63.3	0	0	0	114.5	F324 L335 L337 R348 T352 L353 L359 L361 F374 L377	F324-F350 HydrophobicContact CD2-CD1 4.07Å; F324-F350 HydrophobicContact CD2-CE1 4.05Å; F324-F350 HydrophobicContact CE2-CD1 4.32Å; F324-F350 AromaticContact CE2-CE1 3.83Å; F324-F350 HydrophobicContact CE2-CE1 3.83Å; L335-F350 HydrophobicContact CD2-CD1 4.42Å; L335-F350 HydrophobicContact CD2-CE1 4.33Å; L337-F350 HydrophobicContact CD1-CE1 3.75Å; L337-F350 HydrophobicContact CD1-CZ 4.1Å; R348-F350 PolarHBondContact O-N 2.83Å; R348-F350 VanDerWaalsContact O-N 3.1Å; F350-T352 PolarHBondContact O-N 3.26Å; F350-L353 HydrophobicContact CB-CD1 4.39Å; F350-L353 HydrophobicContact CD1-CD1 4.09Å; F350-L353 PolarHBondContact O-N 2.01Å; F350-L359 HydrophobicContact CD2-CD2 3.83Å; F350-L359 HydrophobicContact CE1-CD1 4.33Å; F350-L359 HydrophobicContact CE2-CD2 3.65Å; F350-L359 HydrophobicContact CG-CD2 4.41Å; F350-L359 HydrophobicContact CZ-CD1 4.24Å; F350-L359 HydrophobicContact CZ-CD2 4.08Å; F350-L361 HydrophobicContact CE2-CD1 4.31Å; F350-L361 HydrophobicContact CZ-CD1 4.38Å; F350-L361 HydrophobicContact CZ-CD2 4.26Å; F350-F374 HydrophobicContact CD2-CD1 4.24Å; F350-F374 HydrophobicContact CE2-CD1 4.4Å; F350-F374 HydrophobicContact CE2-CE1 4.36Å; F350-L377 HydrophobicContact CB-CD1 4.17Å; F350-L377 HydrophobicContact CB-CD2 3.71Å; F350-L377 HydrophobicContact CB-CG 4.02Å; F350-L377 HydrophobicContact CD2-CD1 4.18Å; F350-L377 HydrophobicContact CG-CD1 4.49Å
351	E	95.4	Very high	95.9	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.271	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.1	-169.8	177.5	177.1	-132.6	0	0	114.6	R348 Y375	R348-E351 HydrophobicContact CB-CB 3.98Å; R348-E351 IonicContact CZ-OE1 3.63Å; R348-E351 IonicContact NE-OE1 3.93Å; R348-E351 IonicContact NH1-OE1 2.74Å; R348-E351 PolarHBondContact NH1-OE1 2.87Å; R348-E351 IonicContact NH1-OE2 3.95Å; R348-E351 WeakPolarHBondContact O-CB 3.22Å; R348-E351 PolarHBondContact O-N 3.32Å; R348-E351 VanDerWaalsContact O-N 3.12Å; E351-Y375 WeakPolarHBondContact CA-O 3.21Å; E351-Y375 HydrophobicContact CG-CD1 4.04Å; E351-Y375 HydrophobicContact CG-CE1 4.31Å; E351-Y375 WeakPolarHBondContact OE1-CD1 3.2Å; E351-Y375 VanDerWaalsContact OE1-CE1 3.3Å; E351-Y375 WeakPolarHBondContact OE1-CE1 3.43Å
352	T	93.1	Very high	96.3	Very high	36 Å²	36	37 Å²	37	22%	0.221	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.7	-178	57.7	0	0	0	0	113.6	F324 A328 F350 K354	F324-T352 PolarHBondContact O-OG1 2.94Å; F324-T352 VanDerWaalsContact O-OG1 3.04Å; A328-T352 HydrophobicContact CB-CG2 3.96Å; F350-T352 PolarHBondContact O-N 3.26Å; T352-K354 VanDerWaalsContact C-N 3.29Å; T352-K354 PolarHBondContact O-N 2.77Å
353	L	95.1	Very high	96.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.191	C	C	.	.			trans	-88.6	53	-171.2	-59	-179.6	0	0	0	112.9	F324 L327 L335 F350 K355 L356 L377	F324-L353 HydrophobicContact CB-CD1 4.44Å; L327-L353 HydrophobicContact CB-CD2 3.63Å; L327-L353 HydrophobicContact CD1-CD2 4.17Å; L335-L353 HydrophobicContact CD2-CD1 3.61Å; F350-L353 HydrophobicContact CB-CD1 4.39Å; F350-L353 HydrophobicContact CD1-CD1 4.09Å; F350-L353 PolarHBondContact O-N 2.01Å; L353-K355 PolarHBondContact O-N 3.27Å; L353-K355 VanDerWaalsContact O-N 3.12Å; L353-L356 HydrophobicContact CB-CB 4.1Å; L353-L356 HydrophobicContact CB-CD2 4.45Å; L353-L356 HydrophobicContact CD1-CD2 4.3Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 2.97Å; L353-L377 HydrophobicContact CB-CD2 4.27Å
354	K	93.8	Very high	96.5	Very high	121 Å²	121	36.4 Å²	36.4	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.7	-171.9	-57	-169.3	177.9	-169.6	0	115.4	T352 G376 S379	T352-K354 VanDerWaalsContact C-N 3.29Å; T352-K354 PolarHBondContact O-N 2.77Å; K354-G376 WeakPolarHBondContact CA-O 3.47Å; K354-S379 VanDerWaalsContact O-CB 3.25Å; K354-S379 WeakPolarHBondContact O-CB 3.4Å; K354-S379 PolarHBondContact O-OG 2.06Å
355	K	95.3	Very high	96.5	Very high	132 Å²	132	38.9 Å²	38.9	57%	0.574	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.9	178.3	-67.3	-176.8	178.9	177.3	0	113.2	L353 Q357	L353-K355 PolarHBondContact O-N 3.27Å; L353-K355 VanDerWaalsContact O-N 3.12Å; K355-Q357 PolarHBondContact O-N 3.2Å
356	L	97.7	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.			trans	-61.9	130.2	-177.5	-164.5	71.2	0	0	0	110.3	V332 L335 L353 L359 L377 S379 L380	V332-L356 HydrophobicContact CG1-CD1 3.97Å; L335-L356 HydrophobicContact CB-CD1 3.61Å; L335-L356 HydrophobicContact CB-CD2 4.32Å; L353-L356 HydrophobicContact CB-CB 4.1Å; L353-L356 HydrophobicContact CB-CD2 4.45Å; L353-L356 HydrophobicContact CD1-CD2 4.3Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 2.97Å; L356-L359 HydrophobicContact CD2-CB 3.92Å; L356-L359 HydrophobicContact CD2-CD1 4.22Å; L356-L359 HydrophobicContact CD2-CD2 4.5Å; L356-L359 HydrophobicContact CD2-CG 4.44Å; L356-L377 HydrophobicContact CB-CD2 4.1Å; L356-L377 HydrophobicContact CD2-CD2 3.77Å; L356-S379 CarbonylContact O-C 3.42Å; L356-L380 HydrophobicContact CB-CD1 4.43Å; L356-L380 HydrophobicContact CD2-CD1 4.03Å; L356-L380 HydrophobicContact CG-CD1 4.01Å; L356-L380 WeakPolarHBondContact O-CA 3.4Å; L356-L380 PolarHBondContact O-N 3.32Å
357	Q	98.3	Very high	96.5	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.402	20%	0.198	S	C	.	.			trans	-109.9	-35.2	-179.9	-62.8	-177.5	-7.3	0	0	111.3	T333 K355 Q381 V382	T333-Q357 WeakPolarHBondContact O-CA 3.37Å; T333-Q357 PolarHBondContact O-N 3.33Å; K355-Q357 PolarHBondContact O-N 3.2Å; Q357-Q381 PolarHBondContact O-N 2.91Å; Q357-V382 PolarHBondContact O-N 3.45Å
358	L	98.7	Very high	96.4	Very high	39 Å²	39	43.8 Å²	43.8	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.6	177.8	-170.4	153	0	0	0	110.7	T333 I334 L335 N360 V382	T333-L358 PolarHBondContact O-N 2.87Å; I334-L358 HydrophobicContact CG1-CB 4.21Å; I334-L358 HydrophobicContact CG2-CB 4.3Å; I334-L358 HydrophobicContact CG2-CD2 4.06Å; L335-L358 PolarHBondContact N-O 2.93Å; L358-N360 HydrophobicContact CD2-CB 3.99Å; L358-V382 WeakPolarHBondContact CA-O 3.18Å; L358-V382 HydrophobicContact CB-CB 4.37Å; L358-V382 HydrophobicContact CD1-CB 4.17Å; L358-V382 HydrophobicContact CD1-CG1 4.04Å; L358-V382 HydrophobicContact CG-CB 3.98Å; L358-V382 HydrophobicContact CG-CG1 4.02Å
359	L	98.8	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.7	172.5	178.9	57.1	0	0	0	109.5	L335 L337 F350 L356 L361 F374 L377 L380 V382 L383 N384	L335-L359 HydrophobicContact CB-CD1 4.28Å; L335-L359 HydrophobicContact CD2-CD1 4.16Å; L335-L359 HydrophobicContact CG-CD1 4.25Å; L337-L359 HydrophobicContact CD1-CD1 4.38Å; F350-L359 HydrophobicContact CD2-CD2 3.83Å; F350-L359 HydrophobicContact CE1-CD1 4.33Å; F350-L359 HydrophobicContact CE2-CD2 3.65Å; F350-L359 HydrophobicContact CG-CD2 4.41Å; F350-L359 HydrophobicContact CZ-CD1 4.24Å; F350-L359 HydrophobicContact CZ-CD2 4.08Å; L356-L359 HydrophobicContact CD2-CB 3.92Å; L356-L359 HydrophobicContact CD2-CD1 4.22Å; L356-L359 HydrophobicContact CD2-CD2 4.5Å; L356-L359 HydrophobicContact CD2-CG 4.44Å; L359-L361 HydrophobicContact CD1-CD1 4.41Å; L359-L361 HydrophobicContact CD1-CG 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.87Å; L359-L361 HydrophobicContact CG-CD1 3.96Å; L359-L361 HydrophobicContact CG-CG 4.09Å; L359-F374 HydrophobicContact CD2-CD1 4.35Å; L359-F374 HydrophobicContact CD2-CE1 4.28Å; L359-L377 HydrophobicContact CD2-CD1 3.91Å; L359-L380 HydrophobicContact CB-CD1 3.77Å; L359-L380 HydrophobicContact CB-CD2 4.47Å; L359-V382 PolarHBondContact N-O 3.2Å; L359-L383 HydrophobicContact CB-CD1 4.15Å; L359-L383 HydrophobicContact CD2-CD1 3.97Å; L359-L383 HydrophobicContact CG-CD1 4.13Å; L359-N384 PolarHBondContact O-N 3.3Å
360	N	98.7	Very high	96.4	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.8	177.4	-173.2	-15.4	0	0	0	110.8	L335 H336 L337 L358 A362	L335-N360 PolarHBondContact O-N 3.04Å; H336-N360 PolarHBondContact ND1-ND2 3.14Å; L337-N360 CarbonylContact C-O 3.53Å; L337-N360 WeakPolarHBondContact CA-O 3.48Å; L337-N360 PolarHBondContact N-O 3.43Å; L358-N360 HydrophobicContact CD2-CB 3.99Å; N360-A362 WeakPolarHBondContact OD1-CB 3.47Å; N360-A362 PolarHBondContact OD1-N 3.4Å
361	L	98.4	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.			trans	-118.5	19	178.6	-68.8	162.2	0	0	0	111.4	L337 I342 L345 F350 L359 N364 I366 F374 N384 I385 N388	L337-L361 HydrophobicContact CB-CD2 3.82Å; L337-L361 HydrophobicContact CD1-CD2 4.05Å; I342-L361 HydrophobicContact CD1-CD2 3.82Å; L345-L361 HydrophobicContact CD1-CD1 4.04Å; L345-L361 HydrophobicContact CD2-CD1 4.3Å; L345-L361 HydrophobicContact CD2-CD2 4.42Å; F350-L361 HydrophobicContact CE2-CD1 4.31Å; F350-L361 HydrophobicContact CZ-CD1 4.38Å; F350-L361 HydrophobicContact CZ-CD2 4.26Å; L359-L361 HydrophobicContact CD1-CD1 4.41Å; L359-L361 HydrophobicContact CD1-CG 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.87Å; L359-L361 HydrophobicContact CG-CD1 3.96Å; L359-L361 HydrophobicContact CG-CG 4.09Å; L361-N364 PolarHBondContact O-ND2 2.99Å; L361-I366 HydrophobicContact CB-CD1 3.99Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; L361-F374 HydrophobicContact CD1-CE1 4.25Å; L361-N384 CarbonylContact C-O 3.13Å; L361-N384 WeakPolarHBondContact CA-O 2.95Å; L361-N384 WeakPolarHBondContact CB-O 3.41Å; L361-N384 PolarHBondContact N-O 2.98Å; L361-I385 HydrophobicContact CB-CG1 4.39Å; L361-I385 HydrophobicContact CD1-CG1 4.32Å; L361-N388 PolarHBondContact O-ND2 2.99Å
362	A	98.4	Very high	96.2	Very high	8 Å²	8	45.1 Å²	45.1	7%	0.066	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	153.1	-176	0	0	0	0	0	112.5	S338 H339 N360 N364 S386	S338-A362 WeakPolarHBondContact CA-O 3.24Å; S338-A362 WeakPolarHBondContact CB-O 3.31Å; H339-A362 PolarHBondContact N-O 3.26Å; H339-A362 VanDerWaalsContact N-O 3.11Å; N360-A362 WeakPolarHBondContact OD1-CB 3.47Å; N360-A362 PolarHBondContact OD1-N 3.4Å; A362-N364 PolarHBondContact O-N 3.36Å; A362-S386 CarbonylContact C-O 3.6Å; A362-S386 VanDerWaalsContact CA-O 3.26Å; A362-S386 WeakPolarHBondContact CA-O 3.41Å
363	S	97.3	Very high	96.4	Very high	41 Å²	41	43.4 Å²	43.4	29%	0.287	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	34.4	173.9	-55.6	0	0	0	0	113.9	H339 S386 C387	H339-S363 VanDerWaalsContact CA-O 3.28Å; H339-S363 WeakPolarHBondContact CA-O 3.24Å; H339-S363 VanDerWaalsContact CD2-CB 3.44Å; H339-S363 WeakPolarHBondContact CD2-CB 3.39Å; H339-S363 PolarHBondContact N-O 3.06Å; H339-S363 VanDerWaalsContact NE2-CB 3.29Å; H339-S363 WeakPolarHBondContact NE2-CB 3.45Å; H339-S363 PolarHBondContact NE2-OG 3Å; S363-S386 PolarHBondContact N-O 3.42Å; S363-C387 VanDerWaalsContact CA-O 3.26Å; S363-C387 WeakPolarHBondContact CA-O 3.44Å
364	N	95.9	Very high	96.5	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.048	21%	0.214	C	C	.	.	S	Bend	trans	-94.2	-164.9	168.7	-82.7	-72.4	0	0	0	110.2	L337 G340 Y341 I342 L361 A362 I366 N388	L337-N364 PolarHBondContact O-ND2 3.03Å; G340-N364 WeakPolarHBondContact CA-OD1 3.3Å; G340-N364 PolarHBondContact N-OD1 2.82Å; Y341-N364 PolarHBondContact N-OD1 3.1Å; Y341-N364 VanDerWaalsContact N-OD1 3.09Å; I342-N364 HydrophobicContact CB-CB 4.17Å; I342-N364 PolarHBondContact N-OD1 3.13Å; L361-N364 PolarHBondContact O-ND2 2.99Å; A362-N364 PolarHBondContact O-N 3.36Å; N364-I366 HydrophobicContact CB-CD1 4.03Å; N364-I366 HydrophobicContact CB-CG1 3.86Å; N364-N388 VanDerWaalsContact CA-OD1 3.23Å; N364-N388 WeakPolarHBondContact CA-OD1 3.28Å; N364-N388 WeakPolarHBondContact CB-OD1 3.3Å; N364-N388 PolarHBondContact N-OD1 2.98Å; N364-N388 PolarHBondContact O-OD1 2.8Å
365	K	94.3	Very high	96.6	Very high	63 Å²	63	41.7 Å²	41.7	27%	0.274	21%	0.206	S	C	.	.			trans	-112.7	27.2	174.7	-68.3	-179.7	171.9	165.8	0	111	Y341 I342 N367 N388 L389	Y341-K365 HydrophobicContact CD1-CD 3.86Å; Y341-K365 VanDerWaalsContact CD1-CE 3.44Å; Y341-K365 HydrophobicContact CD1-CG 4.4Å; Y341-K365 VanDerWaalsContact CD1-NZ 3.34Å; I342-K365 CarbonylContact O-C 3.6Å; I342-K365 VanDerWaalsContact O-CA 3.27Å; I342-K365 WeakPolarHBondContact O-CA 3.45Å; I342-K365 PolarHBondContact O-N 3.46Å; K365-N367 PolarHBondContact O-N 2.86Å; K365-N388 PolarHBondContact N-OD1 3.2Å; K365-L389 HydrophobicContact CB-CD1 4.04Å; K365-L389 HydrophobicContact CG-CD1 4.34Å
366	I	96.2	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.			trans	-64.6	115.3	-170.2	-60.8	164.9	0	0	0	108.1	I342 F343 L345 L361 N364 I369 I385 N388 L389 L390	I342-I366 HydrophobicContact CB-CG1 4.13Å; I342-I366 HydrophobicContact CG2-CD1 4.47Å; I342-I366 HydrophobicContact CG2-CG1 3.98Å; I342-I366 WeakPolarHBondContact O-CG1 3.36Å; I342-I366 PolarHBondContact O-N 3.42Å; F343-I366 WeakPolarHBondContact O-CA 3.38Å; L345-I366 HydrophobicContact CD1-CD1 4.18Å; L345-I366 HydrophobicContact CD1-CG2 4.36Å; L345-I366 HydrophobicContact CD2-CD1 4.08Å; L345-I366 HydrophobicContact CG-CD1 4.11Å; L345-I366 HydrophobicContact CG-CG1 4.45Å; L345-I366 HydrophobicContact CG-CG2 4.11Å; L361-I366 HydrophobicContact CB-CD1 3.99Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; N364-I366 HydrophobicContact CB-CD1 4.03Å; N364-I366 HydrophobicContact CB-CG1 3.86Å; I366-I369 HydrophobicContact CG2-CG1 4.31Å; I366-I385 HydrophobicContact CD1-CG2 3.95Å; I366-N388 HydrophobicContact CB-CB 4.19Å; I366-N388 VanDerWaalsContact CB-OD1 3.27Å; I366-N388 WeakPolarHBondContact CB-OD1 3.35Å; I366-N388 WeakPolarHBondContact CG1-OD1 3.2Å; I366-N388 PolarHBondContact N-OD1 3Å; I366-L389 CarbonylContact O-C 3.46Å; I366-L389 VanDerWaalsContact O-C 3.23Å; I366-L389 WeakPolarHBondContact O-CA 3.18Å; I366-L389 PolarHBondContact O-N 2.96Å; I366-L390 HydrophobicContact CG2-CD2 3.99Å; I366-L390 PolarHBondContact O-N 2.93Å
367	N	94.5	Very high	96.4	Very high	84 Å²	84	35.6 Å²	35.6	45%	0.449	18%	0.181	S	C	.	.			trans	-113.8	-23.2	175.7	-176.6	-90	0	0	0	111.3	F343 K365 L389	F343-N367 HydrophobicContact CD2-CB 4.3Å; F343-N367 HydrophobicContact CE2-CB 3.73Å; F343-N367 HydrophobicContact CZ-CB 4.09Å; F343-N367 PolarHBondContact O-N 3.23Å; K365-N367 PolarHBondContact O-N 2.86Å; N367-L389 HydrophobicContact CB-CB 4.3Å; N367-L389 PolarHBondContact ND2-O 3.42Å
368	K	93.9	Very high	96.2	Very high	126 Å²	126	34.9 Å²	34.9	55%	0.548	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.6	-177.9	-173.5	177.1	179.2	-179	0	111.8	F343 S344 L345	F343-K368 PolarHBondContact O-N 2.76Å; S344-K368 WeakPolarHBondContact CA-O 3.08Å; L345-K368 PolarHBondContact N-O 2.87Å
369	I	97.1	Very high	96.1	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.067	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113	168.7	-55.3	177.4	0	0	0	107.1	L345 I366 A373 F374 L390 N397	L345-I369 HydrophobicContact CD1-CG1 4.35Å; I366-I369 HydrophobicContact CG2-CG1 4.31Å; I369-A373 HydrophobicContact CG2-CB 3.83Å; I369-F374 HydrophobicContact CD1-CE2 4.4Å; I369-F374 HydrophobicContact CG2-CE2 3.82Å; I369-F374 HydrophobicContact CG2-CZ 4.45Å; I369-L390 HydrophobicContact CD1-CD1 4.17Å; I369-L390 HydrophobicContact CD1-CD2 3.91Å; I369-L390 HydrophobicContact CG1-CD2 3.9Å; I369-N397 HydrophobicContact CB-CB 4.37Å; I369-N397 HydrophobicContact CD1-CB 4.47Å; I369-N397 HydrophobicContact CG2-CB 4.12Å; I369-N397 PolarHBondContact O-ND2 3.32Å; I369-N397 VanDerWaalsContact O-ND2 3.13Å
370	A	95.8	Very high	96.1	Very high	21 Å²	21	34.6 Å²	34.6	17%	0.174	18%	0.181	C	C	.	.			trans	-71.1	159.8	177.4	0	0	0	0	0	111.7	L345 N372 A373	L345-A370 WeakPolarHBondContact O-CB 3.15Å; L345-A370 PolarHBondContact O-N 2.67Å; A370-N372 PolarHBondContact O-N 2.95Å; A370-A373 VanDerWaalsContact O-CB 3.29Å; A370-A373 WeakPolarHBondContact O-CB 3.39Å; A370-A373 PolarHBondContact O-N 3.47Å; A370-A373 VanDerWaalsContact O-N 3.13Å
371	D	93.9	Very high	96.1	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	133.9	172.7	-67.9	-19.5	0	0	0	110.4	S347 A373 S396	S347-D371 WeakPolarHBondContact CB-O 3.1Å; S347-D371 PolarHBondContact OG-O 2.9Å; D371-A373 PolarHBondContact O-N 2.87Å; D371-S396 WeakPolarHBondContact OD1-CB 3.47Å; D371-S396 PolarHBondContact OD1-OG 3.22Å
372	N	94.3	Very high	96.1	Very high	55 Å²	55	40.1 Å²	40.1	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	24.9	-178.6	-55.8	-51.9	0	0	0	114.2	R348 A370 F374 Y375 Y399	R348-N372 PolarHBondContact N-O 2.91Å; A370-N372 PolarHBondContact O-N 2.95Å; N372-F374 PolarHBondContact O-N 2.64Å; N372-Y375 VanDerWaalsContact O-CB 3.3Å; N372-Y375 WeakPolarHBondContact O-CB 3.48Å; N372-Y375 PolarHBondContact O-N 2.96Å; N372-Y375 VanDerWaalsContact O-N 3.14Å; N372-Y399 VanDerWaalsContact OD1-CD1 3.22Å; N372-Y399 WeakPolarHBondContact OD1-CD1 3.44Å
373	A	97.4	Very high	96.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.9	176	0	0	0	0	0	112.8	L345 N346 I369 A370 D371	L345-A373 HydrophobicContact CB-CB 4.03Å; N346-A373 WeakPolarHBondContact O-CA 3.42Å; I369-A373 HydrophobicContact CG2-CB 3.83Å; A370-A373 VanDerWaalsContact O-CB 3.29Å; A370-A373 WeakPolarHBondContact O-CB 3.39Å; A370-A373 PolarHBondContact O-N 3.47Å; A370-A373 VanDerWaalsContact O-N 3.13Å; D371-A373 PolarHBondContact O-N 2.87Å
374	F	97.4	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	13.2	179.2	-55.7	-68.8	0	0	0	114.4	L345 F350 L359 L361 I369 N372 G376 L377 L383 I385 N397 F398 G400 M401	L345-F374 HydrophobicContact CD1-CE1 3.84Å; L345-F374 HydrophobicContact CD1-CE2 4.47Å; L345-F374 HydrophobicContact CD1-CZ 3.5Å; F350-F374 HydrophobicContact CD2-CD1 4.24Å; F350-F374 HydrophobicContact CE2-CD1 4.4Å; F350-F374 HydrophobicContact CE2-CE1 4.36Å; L359-F374 HydrophobicContact CD2-CD1 4.35Å; L359-F374 HydrophobicContact CD2-CE1 4.28Å; L361-F374 HydrophobicContact CD1-CE1 4.25Å; I369-F374 HydrophobicContact CD1-CE2 4.4Å; I369-F374 HydrophobicContact CG2-CE2 3.82Å; I369-F374 HydrophobicContact CG2-CZ 4.45Å; N372-F374 PolarHBondContact O-N 2.64Å; F374-G376 PolarHBondContact O-N 2.9Å; F374-L377 HydrophobicContact CB-CD1 4.04Å; F374-L377 HydrophobicContact CD1-CD1 3.92Å; F374-L377 HydrophobicContact CG-CD1 4.46Å; F374-L377 WeakPolarHBondContact O-CB 3.4Å; F374-L377 PolarHBondContact O-N 2.8Å; F374-L383 HydrophobicContact CE1-CD1 4.11Å; F374-L383 HydrophobicContact CE1-CD2 4.49Å; F374-L383 HydrophobicContact CZ-CD2 4.38Å; F374-I385 HydrophobicContact CE1-CD1 4.21Å; F374-I385 HydrophobicContact CE2-CD1 4.33Å; F374-I385 HydrophobicContact CZ-CD1 3.51Å; F374-N397 WeakPolarHBondContact CD2-O 3.38Å; F374-N397 WeakPolarHBondContact CE2-O 3.2Å; F374-F398 HydrophobicContact CE2-CD1 4.37Å; F374-G400 CarbonylContact O-C 3.59Å; F374-M401 HydrophobicContact CB-CE 3.67Å; F374-M401 HydrophobicContact CB-CG 3.76Å; F374-M401 HydrophobicContact CB-SD 3.52Å; F374-M401 VanDerWaalsContact CB-SD 3.52Å; F374-M401 HydrophobicContact CD1-CE 4.33Å; F374-M401 HydrophobicContact CD1-SD 3.95Å; F374-M401 HydrophobicContact CD2-CE 3.54Å; F374-M401 HydrophobicContact CD2-SD 4.22Å; F374-M401 HydrophobicContact CE2-CE 4.27Å; F374-M401 HydrophobicContact CG-CE 3.59Å; F374-M401 HydrophobicContact CG-SD 3.64Å
375	Y	96	Very high	96.3	Very high	89 Å²	89	38.4 Å²	38.4	35%	0.349	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136	177.8	-177.7	-93.5	0	0	0	111.1	R348 E351 N372 Y399	R348-Y375 HydrophobicContact CG-CD1 4.33Å; E351-Y375 WeakPolarHBondContact CA-O 3.21Å; E351-Y375 HydrophobicContact CG-CD1 4.04Å; E351-Y375 HydrophobicContact CG-CE1 4.31Å; E351-Y375 WeakPolarHBondContact OE1-CD1 3.2Å; E351-Y375 VanDerWaalsContact OE1-CE1 3.3Å; E351-Y375 WeakPolarHBondContact OE1-CE1 3.43Å; N372-Y375 VanDerWaalsContact O-CB 3.3Å; N372-Y375 WeakPolarHBondContact O-CB 3.48Å; N372-Y375 PolarHBondContact O-N 2.96Å; N372-Y375 VanDerWaalsContact O-N 3.14Å; Y375-Y399 HydrophobicContact CD2-CD1 4.35Å; Y375-Y399 HydrophobicContact CD2-CE1 4.06Å; Y375-Y399 HydrophobicContact CE2-CE1 4.37Å
376	G	93.5	Very high	96.5	Very high	4 Å²	4	36 Å²	36	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-6.5	-179.2	0	0	0	0	0	115.2	K354 F374 D378	K354-G376 WeakPolarHBondContact CA-O 3.47Å; F374-G376 PolarHBondContact O-N 2.9Å; G376-D378 PolarHBondContact O-N 3.26Å
377	L	96.4	Very high	96.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.			trans	-80.6	55.5	177.6	-68	-173.6	0	0	0	112.5	F350 L353 L356 L359 F374 S379 L380 G400 M401	F350-L377 HydrophobicContact CB-CD1 4.17Å; F350-L377 HydrophobicContact CB-CD2 3.71Å; F350-L377 HydrophobicContact CB-CG 4.02Å; F350-L377 HydrophobicContact CD2-CD1 4.18Å; F350-L377 HydrophobicContact CG-CD1 4.49Å; L353-L377 HydrophobicContact CB-CD2 4.27Å; L356-L377 HydrophobicContact CB-CD2 4.1Å; L356-L377 HydrophobicContact CD2-CD2 3.77Å; L359-L377 HydrophobicContact CD2-CD1 3.91Å; F374-L377 HydrophobicContact CB-CD1 4.04Å; F374-L377 HydrophobicContact CD1-CD1 3.92Å; F374-L377 HydrophobicContact CG-CD1 4.46Å; F374-L377 WeakPolarHBondContact O-CB 3.4Å; F374-L377 PolarHBondContact O-N 2.8Å; L377-S379 PolarHBondContact O-N 3.18Å; L377-S379 VanDerWaalsContact O-N 3.17Å; L377-L380 HydrophobicContact CB-CB 4.07Å; L377-L380 HydrophobicContact CD1-CD2 4.02Å; L377-L380 PolarHBondContact O-N 3.18Å; L377-G400 CarbonylContact C-O 3.59Å; L377-G400 PolarHBondContact N-O 3.49Å; L377-M401 HydrophobicContact CB-CG 3.71Å; L377-M401 HydrophobicContact CD1-CG 4.25Å; L377-M401 HydrophobicContact CD1-SD 4.12Å
378	D	93.7	Very high	96.7	Very high	71 Å²	71	34.4 Å²	34.4	38%	0.38	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.9	-170.5	-62.5	-31.5	0	0	0	114.4	G376 K403	G376-D378 PolarHBondContact O-N 3.26Å; D378-K403 WeakPolarHBondContact O-CD 3.39Å; D378-K403 WeakPolarHBondContact O-CG 3.19Å
379	S	96.7	Very high	96.9	Very high	33 Å²	33	31.2 Å²	31.2	23%	0.231	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	1.6	-177	-55.8	0	0	0	0	114.1	K354 L356 L377 Q381	K354-S379 VanDerWaalsContact O-CB 3.25Å; K354-S379 WeakPolarHBondContact O-CB 3.4Å; K354-S379 PolarHBondContact O-OG 2.06Å; L356-S379 CarbonylContact O-C 3.42Å; L377-S379 PolarHBondContact O-N 3.18Å; L377-S379 VanDerWaalsContact O-N 3.17Å; S379-Q381 PolarHBondContact O-N 2.79Å
380	L	98.1	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.			trans	-66.4	133.3	-172.7	-163.9	79.8	0	0	0	110.7	L356 L359 L377 L383 M401 K403 V404	L356-L380 HydrophobicContact CB-CD1 4.43Å; L356-L380 HydrophobicContact CD2-CD1 4.03Å; L356-L380 HydrophobicContact CG-CD1 4.01Å; L356-L380 WeakPolarHBondContact O-CA 3.4Å; L356-L380 PolarHBondContact O-N 3.32Å; L359-L380 HydrophobicContact CB-CD1 3.77Å; L359-L380 HydrophobicContact CB-CD2 4.47Å; L377-L380 HydrophobicContact CB-CB 4.07Å; L377-L380 HydrophobicContact CD1-CD2 4.02Å; L377-L380 PolarHBondContact O-N 3.18Å; L380-L383 HydrophobicContact CD2-CB 4.02Å; L380-L383 HydrophobicContact CD2-CD1 4.33Å; L380-M401 HydrophobicContact CD2-CG 4Å; L380-M401 HydrophobicContact CD2-SD 3.34Å; L380-M401 WeakPolarHBondContact CD2-SD 2.93Å; L380-K403 CarbonylContact O-C 3.33Å; L380-V404 WeakPolarHBondContact O-CA 3.47Å; L380-V404 PolarHBondContact O-N 3.29Å
381	Q	98.2	Very high	96.9	Very high	93 Å²	93	31 Å²	31	44%	0.435	17%	0.172	S	C	.	.			trans	-113.9	-38.5	179.1	-61.1	-179.9	27	0	0	111.2	Q357 S379 A405 Y406	Q357-Q381 PolarHBondContact O-N 2.91Å; S379-Q381 PolarHBondContact O-N 2.79Å; Q381-A405 PolarHBondContact O-N 3.18Å; Q381-Y406 PolarHBondContact O-N 3.25Å
382	V	98.7	Very high	97	Very high	34 Å²	34	31.1 Å²	31.1	21%	0.206	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123	-174.2	-179.8	0	0	0	0	109.6	Q357 L358 L359 Y406	Q357-V382 PolarHBondContact O-N 3.45Å; L358-V382 WeakPolarHBondContact CA-O 3.18Å; L358-V382 HydrophobicContact CB-CB 4.37Å; L358-V382 HydrophobicContact CD1-CB 4.17Å; L358-V382 HydrophobicContact CD1-CG1 4.04Å; L358-V382 HydrophobicContact CG-CB 3.98Å; L358-V382 HydrophobicContact CG-CG1 4.02Å; L359-V382 PolarHBondContact N-O 3.2Å; V382-Y406 HydrophobicContact CG1-CD1 3.88Å
383	L	98.7	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.5	174.1	177.9	62.7	0	0	0	109.6	L359 F374 L380 I385 F398 M401 V404 Y406 I407 D408	L359-L383 HydrophobicContact CB-CD1 4.15Å; L359-L383 HydrophobicContact CD2-CD1 3.97Å; L359-L383 HydrophobicContact CG-CD1 4.13Å; F374-L383 HydrophobicContact CE1-CD1 4.11Å; F374-L383 HydrophobicContact CE1-CD2 4.49Å; F374-L383 HydrophobicContact CZ-CD2 4.38Å; L380-L383 HydrophobicContact CD2-CB 4.02Å; L380-L383 HydrophobicContact CD2-CD1 4.33Å; L383-I385 HydrophobicContact CD1-CD1 3.95Å; L383-I385 HydrophobicContact CD1-CG1 3.84Å; L383-I385 HydrophobicContact CD2-CD1 3.88Å; L383-I385 HydrophobicContact CD2-CG1 4.35Å; L383-I385 HydrophobicContact CG-CD1 3.96Å; L383-I385 HydrophobicContact CG-CG1 3.88Å; L383-F398 HydrophobicContact CD2-CD1 4.17Å; L383-F398 HydrophobicContact CD2-CE1 4.19Å; L383-M401 HydrophobicContact CD2-CE 3.76Å; L383-M401 HydrophobicContact CD2-SD 3.89Å; L383-V404 HydrophobicContact CB-CG2 4.31Å; L383-Y406 PolarHBondContact N-O 3.48Å; L383-I407 HydrophobicContact CB-CG1 4.35Å; L383-I407 WeakPolarHBondContact O-CA 3.49Å; L383-D408 PolarHBondContact O-N 2.97Å
384	N	98.8	Very high	96.9	Very high	22 Å²	22	33.6 Å²	33.6	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.5	174.3	-174	-13.2	0	0	0	110.2	L359 L361 S386 D408	L359-N384 PolarHBondContact O-N 3.3Å; L361-N384 CarbonylContact C-O 3.13Å; L361-N384 WeakPolarHBondContact CA-O 2.95Å; L361-N384 WeakPolarHBondContact CB-O 3.41Å; L361-N384 PolarHBondContact N-O 2.98Å; N384-S386 VanDerWaalsContact OD1-CB 3.27Å; N384-S386 WeakPolarHBondContact OD1-CB 3.02Å; N384-S386 PolarHBondContact OD1-N 3.19Å; N384-S386 PolarHBondContact OD1-OG 2.83Å; N384-D408 HydrophobicContact CB-CB 4.46Å
385	I	98.3	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.			trans	-125.5	31.7	173.2	-42.7	178.4	0	0	0	109	L361 I366 F374 L383 N388 L390 D408 L409 N412	L361-I385 HydrophobicContact CB-CG1 4.39Å; L361-I385 HydrophobicContact CD1-CG1 4.32Å; I366-I385 HydrophobicContact CD1-CG2 3.95Å; F374-I385 HydrophobicContact CE1-CD1 4.21Å; F374-I385 HydrophobicContact CE2-CD1 4.33Å; F374-I385 HydrophobicContact CZ-CD1 3.51Å; L383-I385 HydrophobicContact CD1-CD1 3.95Å; L383-I385 HydrophobicContact CD1-CG1 3.84Å; L383-I385 HydrophobicContact CD2-CD1 3.88Å; L383-I385 HydrophobicContact CD2-CG1 4.35Å; L383-I385 HydrophobicContact CG-CD1 3.96Å; L383-I385 HydrophobicContact CG-CG1 3.88Å; I385-N388 HydrophobicContact CG2-CB 4.33Å; I385-N388 PolarHBondContact O-ND2 2.78Å; I385-L390 HydrophobicContact CG2-CD1 4.09Å; I385-D408 CarbonylContact C-O 3.19Å; I385-D408 PolarHBondContact N-O 2.88Å; I385-L409 HydrophobicContact CB-CD2 4.3Å; I385-N412 PolarHBondContact O-ND2 2.79Å
386	S	98.6	Very high	96.4	Very high	12 Å²	12	34.8 Å²	34.8	8%	0.084	19%	0.19	C	C	.	.			trans	-67.9	162.9	176.3	63.7	0	0	0	0	112.3	A362 S363 N384 N388 D408 Q410	A362-S386 CarbonylContact C-O 3.6Å; A362-S386 VanDerWaalsContact CA-O 3.26Å; A362-S386 WeakPolarHBondContact CA-O 3.41Å; S363-S386 PolarHBondContact N-O 3.42Å; N384-S386 VanDerWaalsContact OD1-CB 3.27Å; N384-S386 WeakPolarHBondContact OD1-CB 3.02Å; N384-S386 PolarHBondContact OD1-N 3.19Å; N384-S386 PolarHBondContact OD1-OG 2.83Å; S386-N388 VanDerWaalsContact C-N 3.25Å; S386-N388 PolarHBondContact O-N 3.46Å; S386-N388 PolarHBondContact O-ND2 3.01Å; S386-D408 PolarHBondContact N-O 3.47Å; S386-Q410 CarbonylContact C-O 3.15Å; S386-Q410 WeakPolarHBondContact CA-O 3.36Å; S386-Q410 VanDerWaalsContact CB-O 3.28Å; S386-Q410 WeakPolarHBondContact CB-O 3.37Å
387	C	98.3	Very high	96.5	Very high	48 Å²	48	34.8 Å²	34.8	32%	0.324	19%	0.189	S	C	.	.	S	Bend	trans	54.1	40.6	177.3	-61.3	0	0	0	0	112.9	S363 Q410 K411	S363-C387 VanDerWaalsContact CA-O 3.26Å; S363-C387 WeakPolarHBondContact CA-O 3.44Å; C387-Q410 PolarHBondContact N-O 3.45Å; C387-K411 VanDerWaalsContact CA-O 3.24Å; C387-K411 WeakPolarHBondContact CA-O 3.39Å; C387-K411 PolarHBondContact N-O 3.23Å
388	N	97.9	Very high	96.3	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-113.3	-170	176.8	-85.8	-77	0	0	0	110.3	L361 N364 K365 I366 I385 S386 N412	L361-N388 PolarHBondContact O-ND2 2.99Å; N364-N388 VanDerWaalsContact CA-OD1 3.23Å; N364-N388 WeakPolarHBondContact CA-OD1 3.28Å; N364-N388 WeakPolarHBondContact CB-OD1 3.3Å; N364-N388 PolarHBondContact N-OD1 2.98Å; N364-N388 PolarHBondContact O-OD1 2.8Å; K365-N388 PolarHBondContact N-OD1 3.2Å; I366-N388 HydrophobicContact CB-CB 4.19Å; I366-N388 VanDerWaalsContact CB-OD1 3.27Å; I366-N388 WeakPolarHBondContact CB-OD1 3.35Å; I366-N388 WeakPolarHBondContact CG1-OD1 3.2Å; I366-N388 PolarHBondContact N-OD1 3Å; I385-N388 HydrophobicContact CG2-CB 4.33Å; I385-N388 PolarHBondContact O-ND2 2.78Å; S386-N388 VanDerWaalsContact C-N 3.25Å; S386-N388 PolarHBondContact O-N 3.46Å; S386-N388 PolarHBondContact O-ND2 3.01Å; N388-N412 VanDerWaalsContact CA-OD1 3.28Å; N388-N412 WeakPolarHBondContact CA-OD1 3.42Å; N388-N412 WeakPolarHBondContact CB-OD1 3.43Å; N388-N412 PolarHBondContact N-OD1 3.17Å; N388-N412 PolarHBondContact O-OD1 3.15Å
389	L	96.8	Very high	96.3	Very high	58 Å²	58	37.3 Å²	37.3	30%	0.304	19%	0.194	S	C	.	.			trans	-113.9	27.5	-174.1	-59.3	176	0	0	0	112.1	K365 I366 N367 G391 N412	K365-L389 HydrophobicContact CB-CD1 4.04Å; K365-L389 HydrophobicContact CG-CD1 4.34Å; I366-L389 CarbonylContact O-C 3.46Å; I366-L389 VanDerWaalsContact O-C 3.23Å; I366-L389 WeakPolarHBondContact O-CA 3.18Å; I366-L389 PolarHBondContact O-N 2.96Å; N367-L389 HydrophobicContact CB-CB 4.3Å; N367-L389 PolarHBondContact ND2-O 3.42Å; L389-G391 PolarHBondContact O-N 2.98Å; L389-N412 PolarHBondContact N-OD1 3Å
390	L	97.5	Very high	96	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.19	C	C	.	.			trans	-67.4	127.7	-179	-65.3	171.5	0	0	0	110.4	I366 I369 I385 L393 L409 N412 H413 I414	I366-L390 HydrophobicContact CG2-CD2 3.99Å; I366-L390 PolarHBondContact O-N 2.93Å; I369-L390 HydrophobicContact CD1-CD1 4.17Å; I369-L390 HydrophobicContact CD1-CD2 3.91Å; I369-L390 HydrophobicContact CG1-CD2 3.9Å; I385-L390 HydrophobicContact CG2-CD1 4.09Å; L390-L393 HydrophobicContact CD1-CD2 4.42Å; L390-L409 HydrophobicContact CD1-CD2 3.84Å; L390-N412 HydrophobicContact CB-CB 4.23Å; L390-N412 WeakPolarHBondContact CB-OD1 3.29Å; L390-N412 PolarHBondContact N-OD1 3.04Å; L390-N412 VanDerWaalsContact N-OD1 3.12Å; L390-H413 CarbonylContact O-C 3.25Å; L390-H413 WeakPolarHBondContact O-CA 3.43Å; L390-H413 PolarHBondContact O-N 3.2Å; L390-I414 HydrophobicContact CB-CD1 4.38Å; L390-I414 HydrophobicContact CB-CG1 3.96Å; L390-I414 WeakPolarHBondContact O-CG1 3.28Å; L390-I414 PolarHBondContact O-N 3.12Å
391	G	96.1	Very high	95.9	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	19%	0.19	S	C	.	.			trans	-104.7	-34.7	179.2	0	0	0	0	0	114.6	L389 I414 G415	L389-G391 PolarHBondContact O-N 2.98Å; G391-I414 CarbonylContact O-C 2.98Å; G391-I414 WeakPolarHBondContact O-CA 3.36Å; G391-G415 PolarHBondContact O-N 2.9Å
392	E	94.9	Very high	95.7	Very high	101 Å²	101	35 Å²	35	47%	0.472	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.7	-177.3	-62.7	-177.2	-161.6	0	0	109.8	Y394 V416	E392-Y394 HydrophobicContact CB-CE2 4.25Å; E392-Y394 PolarHBondContact OE2-OH 3.16Å; E392-V416 WeakPolarHBondContact CA-O 3.43Å; E392-V416 HydrophobicContact CG-CB 4.35Å
393	L	95.3	Very high	95.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.4	174.3	-59.6	-179.5	0	0	0	110.9	L390 F398 L409 I414 V416 I417 Q418 T421 F422	L390-L393 HydrophobicContact CD1-CD2 4.42Å; L393-F398 HydrophobicContact CD1-CE2 4.1Å; L393-F398 HydrophobicContact CD1-CZ 4.42Å; L393-F398 HydrophobicContact CD2-CE2 4.18Å; L393-F398 HydrophobicContact CD2-CZ 4.2Å; L393-L409 HydrophobicContact CD1-CD1 4.01Å; L393-I414 HydrophobicContact CD1-CD1 4.03Å; L393-I414 HydrophobicContact CD1-CG2 4.25Å; L393-I414 HydrophobicContact CD2-CD1 4.31Å; L393-I414 HydrophobicContact CG-CD1 4.21Å; L393-I414 HydrophobicContact CG-CG1 4.42Å; L393-I414 HydrophobicContact CG-CG2 4.05Å; L393-V416 PolarHBondContact N-O 3.03Å; L393-I417 HydrophobicContact CB-CG2 4.37Å; L393-I417 HydrophobicContact CD1-CD1 4.31Å; L393-I417 HydrophobicContact CD1-CG1 4.13Å; L393-I417 HydrophobicContact CD1-CG2 4.47Å; L393-Q418 WeakPolarHBondContact O-CG 3.34Å; L393-Q418 PolarHBondContact O-N 3.07Å; L393-T421 HydrophobicContact CB-CG2 3.85Å; L393-T421 HydrophobicContact CD1-CG2 4.39Å; L393-F422 HydrophobicContact CD1-CZ 4.18Å
394	Y	94.1	Very high	95.5	Very high	108 Å²	108	38.9 Å²	38.9	42%	0.424	20%	0.203	S	C	.	.			trans	-103.3	154.8	-177.6	-57.9	-87.4	0	0	0	111.9	E392 S396 N397	E392-Y394 HydrophobicContact CB-CE2 4.25Å; E392-Y394 PolarHBondContact OE2-OH 3.16Å; Y394-S396 PolarHBondContact O-N 3.43Å; Y394-N397 PolarHBondContact N-OD1 2.69Å; Y394-N397 PolarHBondContact O-N 3.33Å
395	N	93.8	Very high	95.4	Very high	76 Å²	76	39.2 Å²	39.2	41%	0.406	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.6	-179.8	-68.4	-24.9	0	0	0	114.8	Q418 E420 T421	N395-Q418 VanDerWaalsContact CG-OE1 3.23Å; N395-Q418 PolarHBondContact ND2-OE1 2.96Å; N395-Q418 WeakPolarHBondContact OD1-CB 3.49Å; N395-Q418 PolarHBondContact OD1-OE1 3.13Å; N395-E420 HydrophobicContact CB-CB 4.24Å; N395-E420 WeakPolarHBondContact OD1-CA 3.27Å; N395-E420 WeakPolarHBondContact OD1-CB 3.07Å; N395-E420 PolarHBondContact OD1-N 2.76Å; N395-T421 PolarHBondContact OD1-N 2.95Å
396	S	90.9	Very high	95.4	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.2	-177.4	55.3	0	0	0	0	114.6	D371 Y394 F398 Y399	D371-S396 WeakPolarHBondContact OD1-CB 3.47Å; D371-S396 PolarHBondContact OD1-OG 3.22Å; Y394-S396 PolarHBondContact O-N 3.43Å; S396-F398 PolarHBondContact O-N 3.48Å; S396-Y399 PolarHBondContact O-N 2.99Å
397	N	93.8	Very high	95.4	Very high	3 Å²	3	42 Å²	42	2%	0.016	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.9	-165.2	-71.6	158.7	0	0	0	114.3	I369 F374 Y394	I369-N397 HydrophobicContact CB-CB 4.37Å; I369-N397 HydrophobicContact CD1-CB 4.47Å; I369-N397 HydrophobicContact CG2-CB 4.12Å; I369-N397 PolarHBondContact O-ND2 3.32Å; I369-N397 VanDerWaalsContact O-ND2 3.13Å; F374-N397 WeakPolarHBondContact CD2-O 3.38Å; F374-N397 WeakPolarHBondContact CE2-O 3.2Å; Y394-N397 PolarHBondContact N-OD1 2.69Å; Y394-N397 PolarHBondContact O-N 3.33Å
398	F	93.9	Very high	95.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	24.1	-176.7	-57.5	-78.2	0	0	0	113.5	F374 L383 L393 S396 M401 I407 L409 T421 F422 L425	F374-F398 HydrophobicContact CE2-CD1 4.37Å; L383-F398 HydrophobicContact CD2-CD1 4.17Å; L383-F398 HydrophobicContact CD2-CE1 4.19Å; L393-F398 HydrophobicContact CD1-CE2 4.1Å; L393-F398 HydrophobicContact CD1-CZ 4.42Å; L393-F398 HydrophobicContact CD2-CE2 4.18Å; L393-F398 HydrophobicContact CD2-CZ 4.2Å; S396-F398 PolarHBondContact O-N 3.48Å; F398-M401 HydrophobicContact CB-CE 4.06Å; F398-M401 HydrophobicContact CD1-CE 3.93Å; F398-I407 HydrophobicContact CD1-CD1 4.24Å; F398-I407 HydrophobicContact CE1-CG2 4.47Å; F398-L409 HydrophobicContact CZ-CD1 4.04Å; F398-L409 HydrophobicContact CZ-CD2 4.21Å; F398-T421 HydrophobicContact CD2-CG2 3.66Å; F398-T421 HydrophobicContact CE2-CG2 3.71Å; F398-F422 HydrophobicContact CD2-CD1 4.12Å; F398-F422 AromaticContact CD2-CE1 3.92Å; F398-F422 HydrophobicContact CD2-CE1 3.92Å; F398-F422 HydrophobicContact CE2-CD1 4.42Å; F398-F422 AromaticContact CE2-CE1 3.75Å; F398-F422 HydrophobicContact CE2-CE1 3.75Å; F398-F422 HydrophobicContact CZ-CE1 4.43Å; F398-L425 HydrophobicContact CB-CD1 4.09Å; F398-L425 HydrophobicContact CB-CD2 4.21Å; F398-L425 HydrophobicContact CB-CG 4.49Å; F398-L425 WeakPolarHBondContact O-CD2 3.42Å
399	Y	92.9	Very high	95.5	Very high	123 Å²	123	40.2 Å²	40.2	48%	0.482	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	143.3	173.3	-170.7	-99.6	0	0	0	111.6	N372 Y375 S396	N372-Y399 VanDerWaalsContact OD1-CD1 3.22Å; N372-Y399 WeakPolarHBondContact OD1-CD1 3.44Å; Y375-Y399 HydrophobicContact CD2-CD1 4.35Å; Y375-Y399 HydrophobicContact CD2-CE1 4.06Å; Y375-Y399 HydrophobicContact CE2-CE1 4.37Å; S396-Y399 PolarHBondContact O-N 2.99Å
400	G	91	Very high	95.5	Very high	13 Å²	13	39.1 Å²	39.1	13%	0.134	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	7	175.6	0	0	0	0	0	116.7	F374 L377	F374-G400 CarbonylContact O-C 3.59Å; L377-G400 CarbonylContact C-O 3.59Å; L377-G400 PolarHBondContact N-O 3.49Å
401	M	95.6	Very high	95.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.221	C	C	.	.			trans	-126.6	66.6	-180	-64.2	175.6	-62.9	0	0	112.3	F374 L377 L380 L383 F398 K403 V404	F374-M401 HydrophobicContact CB-CE 3.67Å; F374-M401 HydrophobicContact CB-CG 3.76Å; F374-M401 HydrophobicContact CB-SD 3.52Å; F374-M401 VanDerWaalsContact CB-SD 3.52Å; F374-M401 HydrophobicContact CD1-CE 4.33Å; F374-M401 HydrophobicContact CD1-SD 3.95Å; F374-M401 HydrophobicContact CD2-CE 3.54Å; F374-M401 HydrophobicContact CD2-SD 4.22Å; F374-M401 HydrophobicContact CE2-CE 4.27Å; F374-M401 HydrophobicContact CG-CE 3.59Å; F374-M401 HydrophobicContact CG-SD 3.64Å; L377-M401 HydrophobicContact CB-CG 3.71Å; L377-M401 HydrophobicContact CD1-CG 4.25Å; L377-M401 HydrophobicContact CD1-SD 4.12Å; L380-M401 HydrophobicContact CD2-CG 4Å; L380-M401 HydrophobicContact CD2-SD 3.34Å; L380-M401 WeakPolarHBondContact CD2-SD 2.93Å; L383-M401 HydrophobicContact CD2-CE 3.76Å; L383-M401 HydrophobicContact CD2-SD 3.89Å; F398-M401 HydrophobicContact CB-CE 4.06Å; F398-M401 HydrophobicContact CD1-CE 3.93Å; M401-K403 VanDerWaalsContact C-N 3.26Å; M401-K403 PolarHBondContact O-N 3.42Å; M401-V404 HydrophobicContact CB-CB 4.24Å; M401-V404 HydrophobicContact CB-CG1 4.34Å; M401-V404 WeakPolarHBondContact O-CG1 3.34Å; M401-V404 PolarHBondContact O-N 2.93Å
402	P	93.4	Very high	95.7	Very high	63 Å²	63	43.2 Å²	43.2	41%	0.409	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20	-170.2	27.5	-35.9	0	0	0	114.9	N427	P402-N427 PolarHBondContact O-ND2 3.48Å
403	K	96.4	Very high	95.8	Very high	115 Å²	115	44 Å²	44	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.7	-177.2	-66.8	-172.2	-172.4	168.9	0	114.3	D378 L380 M401 A405	D378-K403 WeakPolarHBondContact O-CD 3.39Å; D378-K403 WeakPolarHBondContact O-CG 3.19Å; L380-K403 CarbonylContact O-C 3.33Å; M401-K403 VanDerWaalsContact C-N 3.26Å; M401-K403 PolarHBondContact O-N 3.42Å; K403-A405 PolarHBondContact O-N 3.42Å
404	V	97.5	Very high	95.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.212	C	C	.	.			trans	-62.8	129.4	-176	72.2	0	0	0	0	110.2	L380 L383 M401 I407 L425 N427 L428	L380-V404 WeakPolarHBondContact O-CA 3.47Å; L380-V404 PolarHBondContact O-N 3.29Å; L383-V404 HydrophobicContact CB-CG2 4.31Å; M401-V404 HydrophobicContact CB-CB 4.24Å; M401-V404 HydrophobicContact CB-CG1 4.34Å; M401-V404 WeakPolarHBondContact O-CG1 3.34Å; M401-V404 PolarHBondContact O-N 2.93Å; V404-I407 HydrophobicContact CG1-CD1 4.1Å; V404-I407 HydrophobicContact CG1-CG1 4.43Å; V404-I407 HydrophobicContact CG2-CD1 4.25Å; V404-I407 HydrophobicContact CG2-CG1 3.75Å; V404-L425 HydrophobicContact CG1-CB 4.26Å; V404-L425 HydrophobicContact CG1-CD1 4.12Å; V404-L425 HydrophobicContact CG1-CD2 3.69Å; V404-L425 HydrophobicContact CG1-CG 4.24Å; V404-N427 CarbonylContact O-C 3.5Å; V404-N427 VanDerWaalsContact O-O 3.14Å; V404-L428 HydrophobicContact CG1-CD1 4.46Å; V404-L428 WeakPolarHBondContact O-CA 3.46Å; V404-L428 PolarHBondContact O-N 3.07Å
405	A	97.5	Very high	96	Very high	28 Å²	28	40 Å²	40	23%	0.231	20%	0.204	C	C	.	.			trans	-109.7	-29.1	-177.6	0	0	0	0	0	112.2	Q381 K403 N427 H429 T430	Q381-A405 PolarHBondContact O-N 3.18Å; K403-A405 PolarHBondContact O-N 3.42Å; A405-N427 WeakPolarHBondContact CA-O 3.25Å; A405-H429 PolarHBondContact O-N 3.09Å; A405-T430 PolarHBondContact O-N 2.74Å
406	Y	98.3	Very high	96	Very high	72 Å²	72	40.2 Å²	40.2	28%	0.282	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125	-178	179.3	-88.7	0	0	0	110.7	Q381 V382 L383 D408 T430	Q381-Y406 PolarHBondContact O-N 3.25Å; V382-Y406 HydrophobicContact CG1-CD1 3.88Å; L383-Y406 PolarHBondContact N-O 3.48Å; Y406-D408 HydrophobicContact CD1-CB 4.48Å; Y406-D408 HydrophobicContact CE1-CB 3.57Å; Y406-D408 PolarHBondContact OH-OD2 2.91Å; Y406-T430 HydrophobicContact CD2-CG2 3.56Å; Y406-T430 HydrophobicContact CE2-CG2 3.64Å
407	I	98.4	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	172.5	-63.7	-179.4	0	0	0	109.1	L383 F398 V404 L409 L425 L428 T430 L431 D432	L383-I407 HydrophobicContact CB-CG1 4.35Å; L383-I407 WeakPolarHBondContact O-CA 3.49Å; F398-I407 HydrophobicContact CD1-CD1 4.24Å; F398-I407 HydrophobicContact CE1-CG2 4.47Å; V404-I407 HydrophobicContact CG1-CD1 4.1Å; V404-I407 HydrophobicContact CG1-CG1 4.43Å; V404-I407 HydrophobicContact CG2-CD1 4.25Å; V404-I407 HydrophobicContact CG2-CG1 3.75Å; I407-L409 HydrophobicContact CG2-CD1 3.86Å; I407-L409 HydrophobicContact CG2-CG 3.85Å; I407-L425 HydrophobicContact CD1-CD1 3.41Å; I407-L425 VanDerWaalsContact CD1-CD1 3.41Å; I407-L428 HydrophobicContact CB-CD1 4.3Å; I407-L428 HydrophobicContact CD1-CD1 3.98Å; I407-L428 HydrophobicContact CG1-CD1 3.81Å; I407-T430 PolarHBondContact N-O 2.92Å; I407-T430 VanDerWaalsContact N-O 3.13Å; I407-L431 HydrophobicContact CB-CD1 4.07Å; I407-L431 HydrophobicContact CG2-CD1 4.11Å; I407-D432 PolarHBondContact O-N 2.85Å
408	D	98.7	Very high	96.1	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.3	174.3	-171.8	-10.3	0	0	0	111.3	L383 N384 I385 S386 Y406 Q410	L383-D408 PolarHBondContact O-N 2.97Å; N384-D408 HydrophobicContact CB-CB 4.46Å; I385-D408 CarbonylContact C-O 3.19Å; I385-D408 PolarHBondContact N-O 2.88Å; S386-D408 PolarHBondContact N-O 3.47Å; Y406-D408 HydrophobicContact CD1-CB 4.48Å; Y406-D408 HydrophobicContact CE1-CB 3.57Å; Y406-D408 PolarHBondContact OH-OD2 2.91Å; D408-Q410 WeakPolarHBondContact OD1-CB 3.4Å; D408-Q410 PolarHBondContact OD1-N 3.01Å
409	L	98.4	Very high	95.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.			trans	-121.1	18.7	177.1	-67.1	160.3	0	0	0	111	I385 L390 L393 F398 I407 N412 I414 L431 D432 L433 N436	I385-L409 HydrophobicContact CB-CD2 4.3Å; L390-L409 HydrophobicContact CD1-CD2 3.84Å; L393-L409 HydrophobicContact CD1-CD1 4.01Å; F398-L409 HydrophobicContact CZ-CD1 4.04Å; F398-L409 HydrophobicContact CZ-CD2 4.21Å; I407-L409 HydrophobicContact CG2-CD1 3.86Å; I407-L409 HydrophobicContact CG2-CG 3.85Å; L409-N412 PolarHBondContact O-ND2 3.06Å; L409-I414 HydrophobicContact CB-CD1 4.05Å; L409-I414 HydrophobicContact CD1-CD1 4.48Å; L409-I414 HydrophobicContact CD2-CD1 4.36Å; L409-L431 HydrophobicContact CD1-CD1 4.23Å; L409-D432 CarbonylContact C-O 3.02Å; L409-D432 WeakPolarHBondContact CA-O 3.27Å; L409-D432 WeakPolarHBondContact CB-O 3.15Å; L409-D432 PolarHBondContact N-O 3.2Å; L409-L433 HydrophobicContact CB-CD2 3.99Å; L409-L433 HydrophobicContact CD1-CD2 3.86Å; L409-N436 PolarHBondContact O-ND2 3.42Å
410	Q	98.1	Very high	95.8	Very high	34 Å²	34	48.3 Å²	48.3	16%	0.159	24%	0.239	C	C	.	.			trans	-56.6	147.2	-178.9	174.9	171.9	10	0	0	111.4	S386 C387 D408 N412 R434 D435	S386-Q410 CarbonylContact C-O 3.15Å; S386-Q410 WeakPolarHBondContact CA-O 3.36Å; S386-Q410 VanDerWaalsContact CB-O 3.28Å; S386-Q410 WeakPolarHBondContact CB-O 3.37Å; C387-Q410 PolarHBondContact N-O 3.45Å; D408-Q410 WeakPolarHBondContact OD1-CB 3.4Å; D408-Q410 PolarHBondContact OD1-N 3.01Å; Q410-N412 PolarHBondContact O-N 3.4Å; Q410-N412 PolarHBondContact O-ND2 3.44Å; Q410-R434 CarbonylContact C-O 3.52Å; Q410-R434 VanDerWaalsContact CA-O 3.22Å; Q410-R434 WeakPolarHBondContact CA-O 3.29Å; Q410-R434 HydrophobicContact CB-CB 4.43Å; Q410-R434 HydrophobicContact CG-CB 3.97Å; Q410-D435 PolarHBondContact NE2-OD2 3.12Å
411	K	98.3	Very high	95.9	Very high	112 Å²	112	47.8 Å²	47.8	49%	0.487	23%	0.233	S	C	.	.	S	Bend	trans	57	48	174.4	-71.5	171.9	-177.9	-177.7	0	113.1	C387 R434 D435	C387-K411 VanDerWaalsContact CA-O 3.24Å; C387-K411 WeakPolarHBondContact CA-O 3.39Å; C387-K411 PolarHBondContact N-O 3.23Å; K411-R434 PolarHBondContact N-O 3.1Å; K411-D435 VanDerWaalsContact CA-O 3.31Å; K411-D435 WeakPolarHBondContact CA-O 3.49Å; K411-D435 HydrophobicContact CB-CB 4.36Å; K411-D435 WeakPolarHBondContact CE-OD2 3.35Å; K411-D435 HydrophobicContact CG-CB 3.58Å; K411-D435 WeakPolarHBondContact CG-OD2 3.27Å
412	N	98.4	Very high	95.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	-108.8	-165.9	167.3	-83.3	-85.6	0	0	0	109.5	I385 N388 L389 L390 L409 Q410 I414 N436	I385-N412 PolarHBondContact O-ND2 2.79Å; N388-N412 VanDerWaalsContact CA-OD1 3.28Å; N388-N412 WeakPolarHBondContact CA-OD1 3.42Å; N388-N412 WeakPolarHBondContact CB-OD1 3.43Å; N388-N412 PolarHBondContact N-OD1 3.17Å; N388-N412 PolarHBondContact O-OD1 3.15Å; L389-N412 PolarHBondContact N-OD1 3Å; L390-N412 HydrophobicContact CB-CB 4.23Å; L390-N412 WeakPolarHBondContact CB-OD1 3.29Å; L390-N412 PolarHBondContact N-OD1 3.04Å; L390-N412 VanDerWaalsContact N-OD1 3.12Å; L409-N412 PolarHBondContact O-ND2 3.06Å; Q410-N412 PolarHBondContact O-N 3.4Å; Q410-N412 PolarHBondContact O-ND2 3.44Å; N412-I414 HydrophobicContact CB-CD1 3.95Å; N412-I414 HydrophobicContact CB-CG1 3.92Å; N412-N436 WeakPolarHBondContact CA-OD1 3.48Å; N412-N436 WeakPolarHBondContact CB-OD1 3.44Å; N412-N436 PolarHBondContact O-OD1 3.25Å
413	H	97.4	Very high	95.5	Very high	117 Å²	117	53.7 Å²	53.7	54%	0.542	25%	0.247	S	C	.	.			trans	-115.9	26.9	176.7	-60.6	-42	0	0	0	111.8	L390 G415	L390-H413 CarbonylContact O-C 3.25Å; L390-H413 WeakPolarHBondContact O-CA 3.43Å; L390-H413 PolarHBondContact O-N 3.2Å; H413-G415 PolarHBondContact O-N 3.02Å; H413-G415 VanDerWaalsContact O-N 3.11Å
414	I	97.6	Very high	95.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.			trans	-67.7	114.3	-169.6	-59	160.9	0	0	0	109.1	L390 G391 L393 L409 N412 I417 L433 N436 A437 L438	L390-I414 HydrophobicContact CB-CD1 4.38Å; L390-I414 HydrophobicContact CB-CG1 3.96Å; L390-I414 WeakPolarHBondContact O-CG1 3.28Å; L390-I414 PolarHBondContact O-N 3.12Å; G391-I414 CarbonylContact O-C 2.98Å; G391-I414 WeakPolarHBondContact O-CA 3.36Å; L393-I414 HydrophobicContact CD1-CD1 4.03Å; L393-I414 HydrophobicContact CD1-CG2 4.25Å; L393-I414 HydrophobicContact CD2-CD1 4.31Å; L393-I414 HydrophobicContact CG-CD1 4.21Å; L393-I414 HydrophobicContact CG-CG1 4.42Å; L393-I414 HydrophobicContact CG-CG2 4.05Å; L409-I414 HydrophobicContact CB-CD1 4.05Å; L409-I414 HydrophobicContact CD1-CD1 4.48Å; L409-I414 HydrophobicContact CD2-CD1 4.36Å; N412-I414 HydrophobicContact CB-CD1 3.95Å; N412-I414 HydrophobicContact CB-CG1 3.92Å; I414-I417 HydrophobicContact CG2-CD1 4.36Å; I414-I417 HydrophobicContact CG2-CG1 3.82Å; I414-L433 HydrophobicContact CD1-CD2 4.27Å; I414-N436 HydrophobicContact CB-CB 4.37Å; I414-N436 VanDerWaalsContact CB-OD1 3.28Å; I414-N436 WeakPolarHBondContact CB-OD1 3.15Å; I414-N436 WeakPolarHBondContact CG1-OD1 3.31Å; I414-N436 PolarHBondContact N-OD1 2.91Å; I414-A437 CarbonylContact O-C 3.09Å; I414-A437 VanDerWaalsContact O-C 3.25Å; I414-A437 WeakPolarHBondContact O-CA 3.41Å; I414-A437 PolarHBondContact O-N 3.06Å; I414-L438 HydrophobicContact CG2-CD2 4.01Å; I414-L438 PolarHBondContact O-N 3.12Å; I414-L438 VanDerWaalsContact O-N 3.16Å
415	G	95.6	Very high	94.8	Very high	25 Å²	25	50.7 Å²	50.7	26%	0.258	24%	0.24	S	C	.	.			trans	-103.5	-26.6	177.1	0	0	0	0	0	113.6	G391 H413	G391-G415 PolarHBondContact O-N 2.9Å; H413-G415 PolarHBondContact O-N 3.02Å; H413-G415 VanDerWaalsContact O-N 3.11Å
416	V	93.1	Very high	94.5	Very high	80 Å²	80	58.2 Å²	58.2	49%	0.485	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.1	-175.1	-177.5	0	0	0	0	110	E392 L393	E392-V416 WeakPolarHBondContact CA-O 3.43Å; E392-V416 HydrophobicContact CG-CB 4.35Å; L393-V416 PolarHBondContact N-O 3.03Å
417	I	94.2	Very high	94.4	Very high	26 Å²	26	58.6 Å²	58.6	13%	0.133	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.4	173.5	-55	-179	0	0	0	107.8	L393 I414 T421 F422 L433 L438	L393-I417 HydrophobicContact CB-CG2 4.37Å; L393-I417 HydrophobicContact CD1-CD1 4.31Å; L393-I417 HydrophobicContact CD1-CG1 4.13Å; L393-I417 HydrophobicContact CD1-CG2 4.47Å; I414-I417 HydrophobicContact CG2-CD1 4.36Å; I414-I417 HydrophobicContact CG2-CG1 3.82Å; I417-T421 HydrophobicContact CG2-CG2 4.15Å; I417-F422 HydrophobicContact CG2-CE2 3.87Å; I417-F422 HydrophobicContact CG2-CZ 4.38Å; I417-L433 HydrophobicContact CD1-CD1 3.9Å; I417-L433 HydrophobicContact CD1-CD2 4.1Å; I417-L438 HydrophobicContact CD1-CD1 4.22Å; I417-L438 HydrophobicContact CD1-CD2 3.83Å; I417-L438 HydrophobicContact CG1-CD2 3.84Å
418	Q	92.8	Very high	94.3	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	28%	0.276	S	S	.	.			trans	-69	152.1	176.1	-66.4	-175.5	-8.7	0	0	112	L393 N395 E420 T421	L393-Q418 WeakPolarHBondContact O-CG 3.34Å; L393-Q418 PolarHBondContact O-N 3.07Å; N395-Q418 VanDerWaalsContact CG-OE1 3.23Å; N395-Q418 PolarHBondContact ND2-OE1 2.96Å; N395-Q418 WeakPolarHBondContact OD1-CB 3.49Å; N395-Q418 PolarHBondContact OD1-OE1 3.13Å; Q418-E420 VanDerWaalsContact C-N 3.3Å; Q418-E420 PolarHBondContact O-N 2.99Å; Q418-T421 PolarHBondContact N-OG1 2.96Å; Q418-T421 VanDerWaalsContact O-CB 3.3Å; Q418-T421 WeakPolarHBondContact O-CB 3.12Å; Q418-T421 PolarHBondContact O-N 3.06Å; Q418-T421 PolarHBondContact O-OG1 2.98Å
419	R	89.3	Confident	94.1	Very high	176 Å²	176	63 Å²	63	66%	0.664	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	-170.4	-167.2	-179.5	-169	177.9	3.2	114.8	F443	R419-F443 HydrophobicContact CG-CB 4.08Å; R419-F443 HydrophobicContact CG-CG 4.44Å; R419-F443 WeakPolarHBondContact O-CD1 3.2Å
420	E	91.3	Very high	94.1	Very high	61 Å²	61	64.2 Å²	64.2	29%	0.285	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.2	-173.8	-52.1	-66.9	136.6	0	0	112.8	N395 Q418 F422 R423	N395-E420 HydrophobicContact CB-CB 4.24Å; N395-E420 WeakPolarHBondContact OD1-CA 3.27Å; N395-E420 WeakPolarHBondContact OD1-CB 3.07Å; N395-E420 PolarHBondContact OD1-N 2.76Å; Q418-E420 VanDerWaalsContact C-N 3.3Å; Q418-E420 PolarHBondContact O-N 2.99Å; E420-F422 PolarHBondContact O-N 2.81Å; E420-F422 VanDerWaalsContact O-N 3.12Å; E420-R423 HydrophobicContact CB-CB 4.27Å; E420-R423 VanDerWaalsContact O-CB 3.3Å; E420-R423 WeakPolarHBondContact O-CB 3.26Å; E420-R423 PolarHBondContact O-N 2.87Å; E420-R423 VanDerWaalsContact O-N 3.07Å; E420-R423 WeakPolarHBondContact OE2-CD 3.28Å; E420-R423 WeakPolarHBondContact OE2-CG 3.23Å; E420-R423 IonicContact OE2-CZ 3.45Å; E420-R423 IonicContact OE2-NE 3.52Å; E420-R423 IonicContact OE2-NH1 2.74Å; E420-R423 PolarHBondContact OE2-NH1 3.31Å
421	T	93.3	Very high	94	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-40.5	-179.1	-59.6	0	0	0	0	113.4	L393 N395 F398 I417 Q418	L393-T421 HydrophobicContact CB-CG2 3.85Å; L393-T421 HydrophobicContact CD1-CG2 4.39Å; N395-T421 PolarHBondContact OD1-N 2.95Å; F398-T421 HydrophobicContact CD2-CG2 3.66Å; F398-T421 HydrophobicContact CE2-CG2 3.71Å; I417-T421 HydrophobicContact CG2-CG2 4.15Å; Q418-T421 PolarHBondContact N-OG1 2.96Å; Q418-T421 VanDerWaalsContact O-CB 3.3Å; Q418-T421 WeakPolarHBondContact O-CB 3.12Å; Q418-T421 PolarHBondContact O-N 3.06Å; Q418-T421 PolarHBondContact O-OG1 2.98Å
422	F	92.2	Very high	94	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.022	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.3	-176.3	-54.2	-60.2	0	0	0	113.9	L393 F398 I417 E420 S424 L425 L431 P445	L393-F422 HydrophobicContact CD1-CZ 4.18Å; F398-F422 HydrophobicContact CD2-CD1 4.12Å; F398-F422 AromaticContact CD2-CE1 3.92Å; F398-F422 HydrophobicContact CD2-CE1 3.92Å; F398-F422 HydrophobicContact CE2-CD1 4.42Å; F398-F422 AromaticContact CE2-CE1 3.75Å; F398-F422 HydrophobicContact CE2-CE1 3.75Å; F398-F422 HydrophobicContact CZ-CE1 4.43Å; I417-F422 HydrophobicContact CG2-CE2 3.87Å; I417-F422 HydrophobicContact CG2-CZ 4.38Å; E420-F422 PolarHBondContact O-N 2.81Å; E420-F422 VanDerWaalsContact O-N 3.12Å; F422-S424 VanDerWaalsContact C-N 3.28Å; F422-S424 PolarHBondContact O-N 2.94Å; F422-L425 HydrophobicContact CB-CD1 4.34Å; F422-L425 HydrophobicContact CD1-CD1 3.85Å; F422-L425 PolarHBondContact O-N 3.11Å; F422-L425 VanDerWaalsContact O-N 3.1Å; F422-L431 HydrophobicContact CD2-CD2 4.22Å; F422-L431 HydrophobicContact CE1-CD1 4.18Å; F422-L431 HydrophobicContact CE1-CD2 4.42Å; F422-L431 HydrophobicContact CE2-CD2 3.72Å; F422-L431 HydrophobicContact CZ-CD1 4.1Å; F422-L431 HydrophobicContact CZ-CD2 3.83Å; F422-P445 HydrophobicContact CB-CB 4.24Å; F422-P445 HydrophobicContact CB-CG 3.88Å; F422-P445 HydrophobicContact CD2-CG 4.23Å; F422-P445 HydrophobicContact CG-CG 4.25Å
423	R	88.4	Confident	94	Very high	185 Å²	185	57.1 Å²	57.1	70%	0.698	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.3	-170.2	-167.8	-155.4	-176.8	132	-11.2	113.7	E420 L425	E420-R423 HydrophobicContact CB-CB 4.27Å; E420-R423 VanDerWaalsContact O-CB 3.3Å; E420-R423 WeakPolarHBondContact O-CB 3.26Å; E420-R423 PolarHBondContact O-N 2.87Å; E420-R423 VanDerWaalsContact O-N 3.07Å; E420-R423 WeakPolarHBondContact OE2-CD 3.28Å; E420-R423 WeakPolarHBondContact OE2-CG 3.23Å; E420-R423 IonicContact OE2-CZ 3.45Å; E420-R423 IonicContact OE2-NE 3.52Å; E420-R423 IonicContact OE2-NH1 2.74Å; E420-R423 PolarHBondContact OE2-NH1 3.31Å; R423-L425 VanDerWaalsContact C-N 3.34Å
424	S	87.3	Confident	94.1	Very high	45 Å²	45	55.2 Å²	55.2	32%	0.315	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.4	-178.3	50.2	0	0	0	0	114.2	F422 K426	F422-S424 VanDerWaalsContact C-N 3.28Å; F422-S424 PolarHBondContact O-N 2.94Å; S424-K426 VanDerWaalsContact C-N 3.35Å; S424-K426 PolarHBondContact O-N 3.01Å; S424-K426 VanDerWaalsContact O-N 3.07Å
425	L	93.1	Very high	94.1	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	27%	0.272	C	S	.	.			trans	-90.3	65.9	-169.2	-50.7	-174	0	0	0	111.8	F398 V404 I407 F422 R423 N427 L428	F398-L425 HydrophobicContact CB-CD1 4.09Å; F398-L425 HydrophobicContact CB-CD2 4.21Å; F398-L425 HydrophobicContact CB-CG 4.49Å; F398-L425 WeakPolarHBondContact O-CD2 3.42Å; V404-L425 HydrophobicContact CG1-CB 4.26Å; V404-L425 HydrophobicContact CG1-CD1 4.12Å; V404-L425 HydrophobicContact CG1-CD2 3.69Å; V404-L425 HydrophobicContact CG1-CG 4.24Å; I407-L425 HydrophobicContact CD1-CD1 3.41Å; I407-L425 VanDerWaalsContact CD1-CD1 3.41Å; F422-L425 HydrophobicContact CB-CD1 4.34Å; F422-L425 HydrophobicContact CD1-CD1 3.85Å; F422-L425 PolarHBondContact O-N 3.11Å; F422-L425 VanDerWaalsContact O-N 3.1Å; R423-L425 VanDerWaalsContact C-N 3.34Å; L425-N427 PolarHBondContact O-N 2.78Å; L425-L428 HydrophobicContact CB-CB 4.02Å; L425-L428 HydrophobicContact CB-CD2 4.46Å; L425-L428 HydrophobicContact CD1-CD2 4.21Å; L425-L428 WeakPolarHBondContact O-CB 3.35Å; L425-L428 PolarHBondContact O-N 2.97Å
426	K	90.9	Very high	94.2	Very high	187 Å²	187	57 Å²	57	81%	0.813	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.9	-172.9	-62.8	-176.7	-179.3	180	0	114.8	S424	S424-K426 VanDerWaalsContact C-N 3.35Å; S424-K426 PolarHBondContact O-N 3.01Å; S424-K426 VanDerWaalsContact O-N 3.07Å
427	N	94.9	Very high	94.4	Very high	79 Å²	79	54.3 Å²	54.3	42%	0.422	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11	-179.5	-66	-59.9	0	0	0	112.6	P402 V404 A405 L425 H429	P402-N427 PolarHBondContact O-ND2 3.48Å; V404-N427 CarbonylContact O-C 3.5Å; V404-N427 VanDerWaalsContact O-O 3.14Å; A405-N427 WeakPolarHBondContact CA-O 3.25Å; L425-N427 PolarHBondContact O-N 2.78Å; N427-H429 PolarHBondContact O-CE1 3.19Å; N427-H429 PolarHBondContact O-N 3.35Å; N427-H429 PolarHBondContact O-ND1 2.88Å
428	L	96	Very high	94.5	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	24%	0.242	C	C	.	.			trans	-67.8	124.7	179.7	-169.7	67.2	0	0	0	109.3	V404 I407 L425 T430 L431 P445 I447	V404-L428 HydrophobicContact CG1-CD1 4.46Å; V404-L428 WeakPolarHBondContact O-CA 3.46Å; V404-L428 PolarHBondContact O-N 3.07Å; I407-L428 HydrophobicContact CB-CD1 4.3Å; I407-L428 HydrophobicContact CD1-CD1 3.98Å; I407-L428 HydrophobicContact CG1-CD1 3.81Å; L425-L428 HydrophobicContact CB-CB 4.02Å; L425-L428 HydrophobicContact CB-CD2 4.46Å; L425-L428 HydrophobicContact CD1-CD2 4.21Å; L425-L428 WeakPolarHBondContact O-CB 3.35Å; L425-L428 PolarHBondContact O-N 2.97Å; L428-T430 WeakPolarHBondContact CD1-O 3.37Å; L428-L431 HydrophobicContact CD2-CB 4.38Å; L428-P445 HydrophobicContact CD2-CG 3.95Å; L428-I447 HydrophobicContact CB-CG2 4.12Å; L428-I447 HydrophobicContact CD2-CG2 4.01Å; L428-I447 HydrophobicContact CG-CG2 3.97Å; L428-I447 WeakPolarHBondContact O-CG2 3.45Å
429	H	95.8	Very high	94.6	Very high	98 Å²	98	56.4 Å²	56.4	45%	0.454	26%	0.255	S	S	.	.			trans	-107.1	-34.7	177	-66.7	83.8	0	0	0	111.3	A405 N427 L448 A449	A405-H429 PolarHBondContact O-N 3.09Å; N427-H429 PolarHBondContact O-CE1 3.19Å; N427-H429 PolarHBondContact O-N 3.35Å; N427-H429 PolarHBondContact O-ND1 2.88Å; H429-L448 WeakPolarHBondContact O-CA 3.46Å; H429-L448 WeakPolarHBondContact O-CB 3.34Å; H429-L448 PolarHBondContact O-N 3.36Å; H429-A449 PolarHBondContact O-N 2.9Å
430	T	97.6	Very high	94.6	Very high	26 Å²	26	52.1 Å²	52.1	16%	0.16	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	-173.8	-57.1	0	0	0	0	111.2	A405 Y406 I407 L428 A449 F451	A405-T430 PolarHBondContact O-N 2.74Å; Y406-T430 HydrophobicContact CD2-CG2 3.56Å; Y406-T430 HydrophobicContact CE2-CG2 3.64Å; I407-T430 PolarHBondContact N-O 2.92Å; I407-T430 VanDerWaalsContact N-O 3.13Å; L428-T430 WeakPolarHBondContact CD1-O 3.37Å; T430-A449 WeakPolarHBondContact CA-O 3.14Å; T430-A449 HydrophobicContact CG2-CB 4.29Å; T430-F451 HydrophobicContact CG2-CD2 4.17Å; T430-F451 HydrophobicContact CG2-CE2 3.75Å
431	L	97.3	Very high	94.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.4	173.9	-179.4	61.3	0	0	0	109.7	I407 L409 F422 L428 L433 M444 I447 A449 F451	I407-L431 HydrophobicContact CB-CD1 4.07Å; I407-L431 HydrophobicContact CG2-CD1 4.11Å; L409-L431 HydrophobicContact CD1-CD1 4.23Å; F422-L431 HydrophobicContact CD2-CD2 4.22Å; F422-L431 HydrophobicContact CE1-CD1 4.18Å; F422-L431 HydrophobicContact CE1-CD2 4.42Å; F422-L431 HydrophobicContact CE2-CD2 3.72Å; F422-L431 HydrophobicContact CZ-CD1 4.1Å; F422-L431 HydrophobicContact CZ-CD2 3.83Å; L428-L431 HydrophobicContact CD2-CB 4.38Å; L431-L433 HydrophobicContact CD1-CG 4.39Å; L431-L433 HydrophobicContact CD2-CD1 3.76Å; L431-L433 HydrophobicContact CD2-CG 4.39Å; L431-L433 HydrophobicContact CG-CD1 3.98Å; L431-L433 HydrophobicContact CG-CG 4.09Å; L431-M444 HydrophobicContact CD2-SD 4.16Å; L431-I447 HydrophobicContact CB-CD1 3.69Å; L431-A449 PolarHBondContact N-O 3.11Å; L431-F451 PolarHBondContact O-N 3.2Å; L431-F451 VanDerWaalsContact O-N 3.07Å
432	D	98.4	Very high	93.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.8	175.8	-161.3	-26.5	0	0	0	111.2	I407 L409 R434 F451	I407-D432 PolarHBondContact O-N 2.85Å; L409-D432 CarbonylContact C-O 3.02Å; L409-D432 WeakPolarHBondContact CA-O 3.27Å; L409-D432 WeakPolarHBondContact CB-O 3.15Å; L409-D432 PolarHBondContact N-O 3.2Å; D432-R434 WeakPolarHBondContact OD1-CB 3.27Å; D432-R434 VanDerWaalsContact OD1-CG 3.29Å; D432-R434 WeakPolarHBondContact OD1-CG 3.26Å; D432-R434 IonicContact OD1-CZ 3.62Å; D432-R434 PolarHBondContact OD1-N 3.44Å; D432-R434 IonicContact OD1-NE 3.93Å; D432-R434 PolarHBondContact OD1-NE 3.18Å; D432-R434 IonicContact OD2-CZ 2.67Å; D432-R434 IonicContact OD2-NE 3.95Å; D432-R434 PolarHBondContact OD2-NE 3.44Å; D432-R434 IonicContact OD2-NH2 3.76Å; D432-R434 PolarHBondContact OD2-NH2 3.19Å; D432-F451 HydrophobicContact CB-CB 4.45Å; D432-F451 HydrophobicContact CB-CD2 4.47Å
433	L	97.9	Very high	93.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.			trans	-122.5	22.2	179	-74	164.5	0	0	0	111.1	L409 I414 I417 L431 N436 L438 M444 F451 L452 N455	L409-L433 HydrophobicContact CB-CD2 3.99Å; L409-L433 HydrophobicContact CD1-CD2 3.86Å; I414-L433 HydrophobicContact CD1-CD2 4.27Å; I417-L433 HydrophobicContact CD1-CD1 3.9Å; I417-L433 HydrophobicContact CD1-CD2 4.1Å; L431-L433 HydrophobicContact CD1-CG 4.39Å; L431-L433 HydrophobicContact CD2-CD1 3.76Å; L431-L433 HydrophobicContact CD2-CG 4.39Å; L431-L433 HydrophobicContact CG-CD1 3.98Å; L431-L433 HydrophobicContact CG-CG 4.09Å; L433-N436 PolarHBondContact O-ND2 3.4Å; L433-N436 VanDerWaalsContact O-ND2 3.09Å; L433-L438 HydrophobicContact CB-CD1 4.22Å; L433-L438 HydrophobicContact CD1-CD1 4.25Å; L433-M444 HydrophobicContact CD1-CE 3.83Å; L433-F451 CarbonylContact C-O 3.56Å; L433-F451 WeakPolarHBondContact CA-O 3.47Å; L433-F451 PolarHBondContact N-O 3.08Å; L433-L452 HydrophobicContact CB-CD2 3.99Å; L433-L452 HydrophobicContact CD1-CD2 4.07Å; L433-N455 PolarHBondContact O-ND2 3.47Å
434	R	98.4	Very high	93.3	Very high	76 Å²	76	51.3 Å²	51.3	29%	0.287	26%	0.257	S	S	.	.			trans	-60.6	153	-179.8	-73.3	176.1	-66.1	157.6	6.8	112.5	Q410 K411 D432 N436 F451 G453	Q410-R434 CarbonylContact C-O 3.52Å; Q410-R434 VanDerWaalsContact CA-O 3.22Å; Q410-R434 WeakPolarHBondContact CA-O 3.29Å; Q410-R434 HydrophobicContact CB-CB 4.43Å; Q410-R434 HydrophobicContact CG-CB 3.97Å; K411-R434 PolarHBondContact N-O 3.1Å; D432-R434 WeakPolarHBondContact OD1-CB 3.27Å; D432-R434 VanDerWaalsContact OD1-CG 3.29Å; D432-R434 WeakPolarHBondContact OD1-CG 3.26Å; D432-R434 IonicContact OD1-CZ 3.62Å; D432-R434 PolarHBondContact OD1-N 3.44Å; D432-R434 IonicContact OD1-NE 3.93Å; D432-R434 PolarHBondContact OD1-NE 3.18Å; D432-R434 IonicContact OD2-CZ 2.67Å; D432-R434 IonicContact OD2-NE 3.95Å; D432-R434 PolarHBondContact OD2-NE 3.44Å; D432-R434 IonicContact OD2-NH2 3.76Å; D432-R434 PolarHBondContact OD2-NH2 3.19Å; R434-N436 PolarHBondContact O-N 3.2Å; R434-N436 PolarHBondContact O-ND2 3Å; R434-N436 VanDerWaalsContact O-ND2 3.1Å; R434-F451 HydrophobicContact CG-CB 3.76Å; R434-G453 CarbonylContact C-O 3.23Å; R434-G453 WeakPolarHBondContact CA-O 3.06Å
435	D	98.3	Very high	93.4	Very high	53 Å²	53	49.8 Å²	49.8	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	54.9	48.3	174.3	-51.4	-43.2	0	0	0	112.7	Q410 K411 G453 G454	Q410-D435 PolarHBondContact NE2-OD2 3.12Å; K411-D435 VanDerWaalsContact CA-O 3.31Å; K411-D435 WeakPolarHBondContact CA-O 3.49Å; K411-D435 HydrophobicContact CB-CB 4.36Å; K411-D435 WeakPolarHBondContact CE-OD2 3.35Å; K411-D435 HydrophobicContact CG-CB 3.58Å; K411-D435 WeakPolarHBondContact CG-OD2 3.27Å; D435-G453 PolarHBondContact N-O 3.37Å; D435-G454 WeakPolarHBondContact CA-O 3.11Å
436	N	98.4	Very high	93.3	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.053	28%	0.278	C	S	.	.	S	Bend	trans	-116.1	-170.4	176.5	-87.1	-76.5	0	0	0	110.8	L409 N412 I414 L433 R434 L438 N455	L409-N436 PolarHBondContact O-ND2 3.42Å; N412-N436 WeakPolarHBondContact CA-OD1 3.48Å; N412-N436 WeakPolarHBondContact CB-OD1 3.44Å; N412-N436 PolarHBondContact O-OD1 3.25Å; I414-N436 HydrophobicContact CB-CB 4.37Å; I414-N436 VanDerWaalsContact CB-OD1 3.28Å; I414-N436 WeakPolarHBondContact CB-OD1 3.15Å; I414-N436 WeakPolarHBondContact CG1-OD1 3.31Å; I414-N436 PolarHBondContact N-OD1 2.91Å; L433-N436 PolarHBondContact O-ND2 3.4Å; L433-N436 VanDerWaalsContact O-ND2 3.09Å; R434-N436 PolarHBondContact O-N 3.2Å; R434-N436 PolarHBondContact O-ND2 3Å; R434-N436 VanDerWaalsContact O-ND2 3.1Å; N436-L438 HydrophobicContact CB-CG 4.39Å; N436-N455 WeakPolarHBondContact CA-OD1 3.19Å; N436-N455 WeakPolarHBondContact CB-OD1 3.08Å; N436-N455 PolarHBondContact O-OD1 3.38Å
437	A	97.3	Very high	93.4	Very high	24 Å²	24	45.9 Å²	45.9	20%	0.198	24%	0.242	C	C	.	.			trans	-109.2	19.3	-177.6	0	0	0	0	0	113.3	I414 K439 N455	I414-A437 CarbonylContact O-C 3.09Å; I414-A437 VanDerWaalsContact O-C 3.25Å; I414-A437 WeakPolarHBondContact O-CA 3.41Å; I414-A437 PolarHBondContact O-N 3.06Å; A437-K439 PolarHBondContact O-N 3.34Å; A437-N455 PolarHBondContact N-OD1 3.1Å
438	L	95.9	Very high	93.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.			trans	-63.8	125.6	-173.6	-61.6	171.6	0	0	0	110.9	I414 I417 L433 N436 V441 L452 N455 K456 L457	I414-L438 HydrophobicContact CG2-CD2 4.01Å; I414-L438 PolarHBondContact O-N 3.12Å; I414-L438 VanDerWaalsContact O-N 3.16Å; I417-L438 HydrophobicContact CD1-CD1 4.22Å; I417-L438 HydrophobicContact CD1-CD2 3.83Å; I417-L438 HydrophobicContact CG1-CD2 3.84Å; L433-L438 HydrophobicContact CB-CD1 4.22Å; L433-L438 HydrophobicContact CD1-CD1 4.25Å; N436-L438 HydrophobicContact CB-CG 4.39Å; L438-V441 HydrophobicContact CD1-CG2 4.22Å; L438-L452 HydrophobicContact CD1-CD2 3.93Å; L438-N455 HydrophobicContact CB-CB 4.25Å; L438-N455 VanDerWaalsContact CB-OD1 3.28Å; L438-N455 WeakPolarHBondContact CB-OD1 3.36Å; L438-N455 WeakPolarHBondContact CG-OD1 3.22Å; L438-N455 PolarHBondContact N-OD1 3.3Å; L438-K456 CarbonylContact O-C 2.97Å; L438-K456 WeakPolarHBondContact O-CA 3.34Å; L438-K456 WeakPolarHBondContact O-CB 3.29Å; L438-K456 PolarHBondContact O-N 2.9Å; L438-L457 HydrophobicContact CB-CD2 4.09Å; L438-L457 PolarHBondContact O-N 2.9Å
439	K	93.7	Very high	93.4	Very high	142 Å²	142	47 Å²	47	62%	0.617	25%	0.249	S	C	*	.	S	Bend	trans	-98.7	-32.5	173.1	-64.4	-178.4	-176	175.8	0	112.3	A437 K456	A437-K439 PolarHBondContact O-N 3.34Å; K439-K456 HydrophobicContact CG-CB 4.18Å
440	T	89.4	Confident	93.4	Very high	86 Å²	86	42.4 Å²	42.4	53%	0.528	23%	0.228	S	C	.	.			trans	-139.5	160.4	176.9	59.8	0	0	0	0	108.4
441	V	84.9	Confident	93.5	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.073	23%	0.229	C	C	.	.			trans	-132.5	119	169.6	167.3	0	0	0	0	105.2	L438 M444 L452 L457 I463	L438-V441 HydrophobicContact CD1-CG2 4.22Å; V441-M444 HydrophobicContact CB-CE 4.3Å; V441-M444 HydrophobicContact CG1-CE 3.38Å; V441-M444 HydrophobicContact CG1-CG 3.59Å; V441-M444 HydrophobicContact CG1-SD 4.13Å; V441-M444 HydrophobicContact CG2-CE 3.94Å; V441-L452 HydrophobicContact CG2-CD2 4.34Å; V441-L457 HydrophobicContact CG2-CD2 4.04Å; V441-I463 HydrophobicContact CB-CD1 3.65Å; V441-I463 HydrophobicContact CB-CG1 4.49Å; V441-I463 HydrophobicContact CG1-CD1 4.04Å; V441-I463 WeakPolarHBondContact O-CD1 3.17Å; V441-I463 WeakPolarHBondContact O-CG1 3.25Å
442	D	82.4	Confident	93.5	Very high	126 Å²	126	43.1 Å²	43.1	67%	0.674	23%	0.229	S	C	*	.			trans	-91.6	-24.3	-176.2	-63.1	-27	0	0	0	112.5
443	F	84.7	Confident	93.4	Very high	84 Å²	84	43.1 Å²	43.1	37%	0.368	23%	0.23	S	C	.	.			trans	-150.7	139.4	-176.7	177.4	-99	0	0	0	110.8	R419	R419-F443 HydrophobicContact CG-CB 4.08Å; R419-F443 HydrophobicContact CG-CG 4.44Å; R419-F443 WeakPolarHBondContact O-CD1 3.2Å
444	M	87.4	Confident	93.4	Very high	13 Å²	13	44 Å²	44	6%	0.064	24%	0.239	C	C	.	.			trans	-129.2	135.8	170.7	-78.3	-69.6	-179.2	0	0	109.4	L431 L433 V441 V450 L452 I463 F465	L431-M444 HydrophobicContact CD2-SD 4.16Å; L433-M444 HydrophobicContact CD1-CE 3.83Å; V441-M444 HydrophobicContact CB-CE 4.3Å; V441-M444 HydrophobicContact CG1-CE 3.38Å; V441-M444 HydrophobicContact CG1-CG 3.59Å; V441-M444 HydrophobicContact CG1-SD 4.13Å; V441-M444 HydrophobicContact CG2-CE 3.94Å; M444-V450 HydrophobicContact CE-CG2 4.27Å; M444-V450 HydrophobicContact SD-CG2 4.25Å; M444-L452 HydrophobicContact CE-CD1 3.99Å; M444-L452 HydrophobicContact CE-CD2 3.75Å; M444-L452 HydrophobicContact CE-CG 4.3Å; M444-I463 HydrophobicContact CG-CG2 4.48Å; M444-F465 HydrophobicContact CG-CD1 4.33Å; M444-F465 HydrophobicContact CG-CE1 3.9Å
445	P	88.8	Confident	93.4	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.084	23%	0.227	C	C	.	.			trans	-64	159.7	173.7	25.9	-30.7	0	0	0	110.9	F422 L428 I447	F422-P445 HydrophobicContact CB-CB 4.24Å; F422-P445 HydrophobicContact CB-CG 3.88Å; F422-P445 HydrophobicContact CD2-CG 4.23Å; F422-P445 HydrophobicContact CG-CG 4.25Å; L428-P445 HydrophobicContact CD2-CG 3.95Å; P445-I447 HydrophobicContact CB-CG2 3.95Å; P445-I447 HydrophobicContact CG-CD1 4.48Å; P445-I447 HydrophobicContact CG-CG2 3.75Å; P445-I447 PolarHBondContact O-N 3.02Å; P445-I447 VanDerWaalsContact O-N 3.09Å
446	S	90.2	Very high	93.3	Very high	102 Å²	102	42.2 Å²	42.2	71%	0.713	23%	0.231	S	C	*	.	S	Bend	trans	-74.3	100.7	173.4	-65.9	0	0	0	0	110.6	T466	S446-T466 VanDerWaalsContact CA-OG1 3.24Å; S446-T466 WeakPolarHBondContact CA-OG1 3.49Å
447	I	93.1	Very high	93.2	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	23%	0.228	C	C	.	.			trans	-132.6	161.1	-171.5	62.7	-178.5	0	0	0	110.7	L428 L431 P445 A449 V450 A467	L428-I447 HydrophobicContact CB-CG2 4.12Å; L428-I447 HydrophobicContact CD2-CG2 4.01Å; L428-I447 HydrophobicContact CG-CG2 3.97Å; L428-I447 WeakPolarHBondContact O-CG2 3.45Å; L431-I447 HydrophobicContact CB-CD1 3.69Å; P445-I447 HydrophobicContact CB-CG2 3.95Å; P445-I447 HydrophobicContact CG-CD1 4.48Å; P445-I447 HydrophobicContact CG-CG2 3.75Å; P445-I447 PolarHBondContact O-N 3.02Å; P445-I447 VanDerWaalsContact O-N 3.09Å; I447-A449 WeakPolarHBondContact CD1-O 3.48Å; I447-V450 HydrophobicContact CD1-CB 3.92Å; I447-V450 HydrophobicContact CD1-CG2 4.15Å; I447-A467 WeakPolarHBondContact O-CA 3.28Å
448	L	94.9	Very high	93	Very high	99 Å²	99	43.2 Å²	43.2	52%	0.518	24%	0.241	S	C	.	.	S	Bend	trans	-78.1	-43.6	-179.1	-176.7	68.6	0	0	0	111.9	H429 A467 S468 Y469	H429-L448 WeakPolarHBondContact O-CA 3.46Å; H429-L448 WeakPolarHBondContact O-CB 3.34Å; H429-L448 PolarHBondContact O-N 3.36Å; L448-A467 CarbonylContact O-C 3.59Å; L448-A467 WeakPolarHBondContact O-CA 3.29Å; L448-A467 WeakPolarHBondContact O-CB 3.44Å; L448-S468 WeakPolarHBondContact CD1-OG 3.42Å; L448-S468 PolarHBondContact O-N 3.28Å; L448-S468 PolarHBondContact O-OG 3.18Å; L448-Y469 PolarHBondContact O-N 3.33Å
449	A	96.8	Very high	92.7	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.6	-175.2	0	0	0	0	0	111.9	H429 T430 L431 I447 F451 Y469	H429-A449 PolarHBondContact O-N 2.9Å; T430-A449 WeakPolarHBondContact CA-O 3.14Å; T430-A449 HydrophobicContact CG2-CB 4.29Å; L431-A449 PolarHBondContact N-O 3.11Å; I447-A449 WeakPolarHBondContact CD1-O 3.48Å; A449-F451 HydrophobicContact CB-CE2 4.12Å; A449-Y469 WeakPolarHBondContact CA-O 3.45Å; A449-Y469 HydrophobicContact CB-CD1 4.46Å
450	V	96.1	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131	176.5	68.8	0	0	0	0	110.8	M444 I447 L452 F465 A467 Y469 I470 Q471	M444-V450 HydrophobicContact CE-CG2 4.27Å; M444-V450 HydrophobicContact SD-CG2 4.25Å; I447-V450 HydrophobicContact CD1-CB 3.92Å; I447-V450 HydrophobicContact CD1-CG2 4.15Å; V450-L452 HydrophobicContact CG2-CD1 3.99Å; V450-L452 HydrophobicContact CG2-CG 4.02Å; V450-F465 HydrophobicContact CG1-CD1 4.14Å; V450-F465 HydrophobicContact CG1-CE1 4.23Å; V450-A467 HydrophobicContact CG1-CB 4.09Å; V450-Y469 PolarHBondContact N-O 3.06Å; V450-I470 HydrophobicContact CG1-CB 4.28Å; V450-I470 HydrophobicContact CG1-CG1 3.9Å; V450-I470 HydrophobicContact CG1-CG2 4.14Å; V450-Q471 PolarHBondContact O-N 3.35Å
451	F	98.2	Very high	91.7	Very high	40 Å²	40	40 Å²	40	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.7	177.9	-56.8	-97.7	0	0	0	109.6	T430 L431 D432 L433 R434 A449 Y469 Q471	T430-F451 HydrophobicContact CG2-CD2 4.17Å; T430-F451 HydrophobicContact CG2-CE2 3.75Å; L431-F451 PolarHBondContact O-N 3.2Å; L431-F451 VanDerWaalsContact O-N 3.07Å; D432-F451 HydrophobicContact CB-CB 4.45Å; D432-F451 HydrophobicContact CB-CD2 4.47Å; L433-F451 CarbonylContact C-O 3.56Å; L433-F451 WeakPolarHBondContact CA-O 3.47Å; L433-F451 PolarHBondContact N-O 3.08Å; R434-F451 HydrophobicContact CG-CB 3.76Å; A449-F451 HydrophobicContact CB-CE2 4.12Å; F451-Y469 HydrophobicContact CD1-CE1 4.04Å; F451-Y469 HydrophobicContact CE1-CD1 4.07Å; F451-Y469 AromaticContact CE1-CE1 3.34Å; F451-Y469 HydrophobicContact CE1-CE1 3.34Å; F451-Y469 HydrophobicContact CZ-CD1 4.04Å; F451-Y469 AromaticContact CZ-CE1 3.72Å; F451-Y469 HydrophobicContact CZ-CE1 3.72Å; F451-Q471 HydrophobicContact CD1-CB 3.83Å; F451-Q471 HydrophobicContact CD1-CG 4.34Å; F451-Q471 HydrophobicContact CE1-CB 4.47Å
452	L	97.3	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.			trans	-128.8	11.6	-173.3	-77	165.3	0	0	0	112.4	L433 L438 V441 M444 V450 N455 L457 F465 Q471 L472 N475	L433-L452 HydrophobicContact CB-CD2 3.99Å; L433-L452 HydrophobicContact CD1-CD2 4.07Å; L438-L452 HydrophobicContact CD1-CD2 3.93Å; V441-L452 HydrophobicContact CG2-CD2 4.34Å; M444-L452 HydrophobicContact CE-CD1 3.99Å; M444-L452 HydrophobicContact CE-CD2 3.75Å; M444-L452 HydrophobicContact CE-CG 4.3Å; V450-L452 HydrophobicContact CG2-CD1 3.99Å; V450-L452 HydrophobicContact CG2-CG 4.02Å; L452-N455 PolarHBondContact O-ND2 2.96Å; L452-L457 HydrophobicContact CB-CD1 4.24Å; L452-L457 HydrophobicContact CD1-CD1 4.45Å; L452-F465 HydrophobicContact CD1-CE1 3.88Å; L452-F465 HydrophobicContact CD1-CZ 4Å; L452-Q471 WeakPolarHBondContact CA-O 3.21Å; L452-Q471 PolarHBondContact N-O 3.46Å; L452-L472 HydrophobicContact CB-CD2 3.63Å; L452-L472 HydrophobicContact CB-CG 4.46Å; L452-L472 HydrophobicContact CD1-CD2 3.88Å; L452-L472 HydrophobicContact CG-CD2 4.42Å; L452-N475 PolarHBondContact O-ND2 3.33Å
453	G	97.8	Very high	90.8	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	24%	0.239	C	C	.	.			trans	-64.8	158.9	-178.5	0	0	0	0	0	114.6	R434 D435 N455 Q471 S473	R434-G453 CarbonylContact C-O 3.23Å; R434-G453 WeakPolarHBondContact CA-O 3.06Å; D435-G453 PolarHBondContact N-O 3.37Å; G453-N455 VanDerWaalsContact C-N 3.29Å; G453-N455 PolarHBondContact O-N 3.16Å; G453-N455 PolarHBondContact O-ND2 3.24Å; G453-Q471 VanDerWaalsContact CA-OE1 3.23Å; G453-S473 CarbonylContact C-O 3.5Å; G453-S473 WeakPolarHBondContact CA-O 3.21Å
454	G	98	Very high	90.6	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	66.6	28.8	178.4	0	0	0	0	0	113.9	D435 S473 E474	D435-G454 WeakPolarHBondContact CA-O 3.11Å; G454-S473 PolarHBondContact N-O 3.46Å; G454-E474 VanDerWaalsContact CA-O 3.32Å; G454-E474 WeakPolarHBondContact CA-O 3.49Å; G454-E474 PolarHBondContact N-O 3.41Å
455	N	98	Very high	90.6	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.261	C	S	.	.	S	Bend	trans	-107.2	-167.5	177.8	-83.4	-78.1	0	0	0	111.2	L433 N436 A437 L438 L452 G453 L457 E474 N475	L433-N455 PolarHBondContact O-ND2 3.47Å; N436-N455 WeakPolarHBondContact CA-OD1 3.19Å; N436-N455 WeakPolarHBondContact CB-OD1 3.08Å; N436-N455 PolarHBondContact O-OD1 3.38Å; A437-N455 PolarHBondContact N-OD1 3.1Å; L438-N455 HydrophobicContact CB-CB 4.25Å; L438-N455 VanDerWaalsContact CB-OD1 3.28Å; L438-N455 WeakPolarHBondContact CB-OD1 3.36Å; L438-N455 WeakPolarHBondContact CG-OD1 3.22Å; L438-N455 PolarHBondContact N-OD1 3.3Å; L452-N455 PolarHBondContact O-ND2 2.96Å; G453-N455 VanDerWaalsContact C-N 3.29Å; G453-N455 PolarHBondContact O-N 3.16Å; G453-N455 PolarHBondContact O-ND2 3.24Å; N455-L457 HydrophobicContact CB-CG 4.19Å; N455-E474 PolarHBondContact N-O 3.4Å; N455-N475 WeakPolarHBondContact CA-OD1 3.32Å; N455-N475 WeakPolarHBondContact CB-OD1 3.47Å; N455-N475 PolarHBondContact O-OD1 2.83Å
456	K	96.4	Very high	90.6	Very high	83 Å²	83	49 Å²	49	36%	0.361	27%	0.271	S	S	.	.			trans	-117.9	26.5	-178.9	-58.7	176.4	-176.7	167.8	0	111.6	L438 K439 A458	L438-K456 CarbonylContact O-C 2.97Å; L438-K456 WeakPolarHBondContact O-CA 3.34Å; L438-K456 WeakPolarHBondContact O-CB 3.29Å; L438-K456 PolarHBondContact O-N 2.9Å; K439-K456 HydrophobicContact CG-CB 4.18Å; K456-A458 PolarHBondContact O-N 2.71Å
457	L	95.6	Very high	90.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.238	C	C	.	.			trans	-66.6	126	-177.7	-58	174.3	0	0	0	110.2	L438 V441 L452 N455 L460 L472 N475 R476 L477	L438-L457 HydrophobicContact CB-CD2 4.09Å; L438-L457 PolarHBondContact O-N 2.9Å; V441-L457 HydrophobicContact CG2-CD2 4.04Å; L452-L457 HydrophobicContact CB-CD1 4.24Å; L452-L457 HydrophobicContact CD1-CD1 4.45Å; N455-L457 HydrophobicContact CB-CG 4.19Å; L457-L460 HydrophobicContact CD1-CD2 4.22Å; L457-L472 HydrophobicContact CD1-CD2 3.81Å; L457-N475 HydrophobicContact CB-CB 4.33Å; L457-N475 VanDerWaalsContact CB-OD1 3.31Å; L457-N475 WeakPolarHBondContact CB-OD1 3.35Å; L457-N475 WeakPolarHBondContact CG-OD1 3.38Å; L457-N475 PolarHBondContact N-OD1 3.33Å; L457-N475 VanDerWaalsContact N-OD1 3.13Å; L457-R476 CarbonylContact O-C 3.36Å; L457-R476 WeakPolarHBondContact O-CA 3.11Å; L457-R476 WeakPolarHBondContact O-CB 3.46Å; L457-R476 PolarHBondContact O-N 3.16Å; L457-L477 HydrophobicContact CB-CD2 4.31Å; L457-L477 PolarHBondContact O-N 3.11Å
458	A	93.6	Very high	90.8	Very high	55 Å²	55	44.5 Å²	44.5	46%	0.455	24%	0.241	S	C	.	.			trans	-111.4	-21.9	179.6	0	0	0	0	0	113.6	K456	K456-A458 PolarHBondContact O-N 2.71Å
459	D	88.9	Confident	90.9	Very high	83 Å²	83	41.2 Å²	41.2	44%	0.444	22%	0.222	S	C	.	.			trans	-149.2	141.2	179.7	-170.3	-18.7	0	0	0	107.9	T461	D459-T461 WeakPolarHBondContact OD1-CB 3.12Å; D459-T461 PolarHBondContact OD1-N 2.8Å; D459-T461 PolarHBondContact OD1-OG1 3.14Å; D459-T461 PolarHBondContact OD2-OG1 3.48Å
460	L	87.9	Confident	90.9	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	22%	0.218	C	C	.	.			trans	-103.5	-8.1	176.7	-60.4	179.6	0	0	0	113	L457 I463 L472 L477 D482 L486	L457-L460 HydrophobicContact CD1-CD2 4.22Å; L460-I463 HydrophobicContact CB-CD1 4.45Å; L460-I463 HydrophobicContact CD2-CD1 4.35Å; L460-I463 WeakPolarHBondContact O-CB 3.32Å; L460-I463 WeakPolarHBondContact O-CD1 3.41Å; L460-I463 WeakPolarHBondContact O-CG1 3.5Å; L460-I463 PolarHBondContact O-N 3.14Å; L460-L472 HydrophobicContact CD1-CD1 3.84Å; L460-L472 HydrophobicContact CD2-CD2 4.3Å; L460-L477 HydrophobicContact CD1-CD1 4.01Å; L460-L477 HydrophobicContact CD1-CD2 4.4Å; L460-L477 HydrophobicContact CD2-CD2 4.05Å; L460-L477 HydrophobicContact CG-CD1 4.31Å; L460-L477 HydrophobicContact CG-CD2 3.79Å; L460-D482 HydrophobicContact CD1-CB 4.14Å; L460-D482 HydrophobicContact CG-CB 4.34Å; L460-D482 PolarHBondContact N-OD1 3.1Å; L460-L486 HydrophobicContact CD1-CD1 3.63Å; L460-L486 HydrophobicContact CD1-CD2 4.11Å; L460-L486 HydrophobicContact CD1-CG 3.99Å
461	T	75.2	Confident	90.9	Very high	71 Å²	71	41.7 Å²	41.7	44%	0.436	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	132	-177.3	58.8	0	0	0	0	111.6	D459	D459-T461 WeakPolarHBondContact OD1-CB 3.12Å; D459-T461 PolarHBondContact OD1-N 2.8Å; D459-T461 PolarHBondContact OD1-OG1 3.14Å; D459-T461 PolarHBondContact OD2-OG1 3.48Å
462	P	69.1	Low	90.9	Very high	123 Å²	123	39.8 Å²	39.8	80%	0.799	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	cis	-106.5	39.3	12.6	41.1	-35.1	0	0	0	115.5	R464	P462-R464 PolarHBondContact O-N 3.32Å
463	I	78.6	Confident	90.9	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.138	22%	0.218	C	C	.	.			trans	-63.6	136.2	-176.8	-55.8	161.7	0	0	0	111.2	V441 M444 L460 F465	V441-I463 HydrophobicContact CB-CD1 3.65Å; V441-I463 HydrophobicContact CB-CG1 4.49Å; V441-I463 HydrophobicContact CG1-CD1 4.04Å; V441-I463 WeakPolarHBondContact O-CD1 3.17Å; V441-I463 WeakPolarHBondContact O-CG1 3.25Å; M444-I463 HydrophobicContact CG-CG2 4.48Å; L460-I463 HydrophobicContact CB-CD1 4.45Å; L460-I463 HydrophobicContact CD2-CD1 4.35Å; L460-I463 WeakPolarHBondContact O-CB 3.32Å; L460-I463 WeakPolarHBondContact O-CD1 3.41Å; L460-I463 WeakPolarHBondContact O-CG1 3.5Å; L460-I463 PolarHBondContact O-N 3.14Å; I463-F465 HydrophobicContact CB-CD2 4.38Å; I463-F465 HydrophobicContact CB-CE2 3.95Å; I463-F465 HydrophobicContact CB-CZ 4.37Å; I463-F465 HydrophobicContact CD1-CE2 4.28Å; I463-F465 HydrophobicContact CD1-CZ 4.17Å; I463-F465 HydrophobicContact CG2-CD1 4.3Å; I463-F465 HydrophobicContact CG2-CD2 3.84Å; I463-F465 HydrophobicContact CG2-CE1 4.06Å; I463-F465 HydrophobicContact CG2-CE2 3.57Å; I463-F465 HydrophobicContact CG2-CG 4.2Å; I463-F465 HydrophobicContact CG2-CZ 3.69Å
464	R	81.4	Confident	90.9	Very high	222 Å²	222	45.1 Å²	45.1	84%	0.838	24%	0.239	S	C	*	.			trans	-107.1	94.9	171.9	-64.8	-173.1	-178.1	-170.1	-0	110.1	P462	P462-R464 PolarHBondContact O-N 3.32Å
465	F	86.9	Confident	91	Very high	17 Å²	17	44.5 Å²	44.5	8%	0.075	23%	0.232	C	C	.	.			trans	-74.5	148	170.2	-64.9	-80.2	0	0	0	110.8	M444 V450 L452 I463 I470 L486 I489	M444-F465 HydrophobicContact CG-CD1 4.33Å; M444-F465 HydrophobicContact CG-CE1 3.9Å; V450-F465 HydrophobicContact CG1-CD1 4.14Å; V450-F465 HydrophobicContact CG1-CE1 4.23Å; L452-F465 HydrophobicContact CD1-CE1 3.88Å; L452-F465 HydrophobicContact CD1-CZ 4Å; I463-F465 HydrophobicContact CB-CD2 4.38Å; I463-F465 HydrophobicContact CB-CE2 3.95Å; I463-F465 HydrophobicContact CB-CZ 4.37Å; I463-F465 HydrophobicContact CD1-CE2 4.28Å; I463-F465 HydrophobicContact CD1-CZ 4.17Å; I463-F465 HydrophobicContact CG2-CD1 4.3Å; I463-F465 HydrophobicContact CG2-CD2 3.84Å; I463-F465 HydrophobicContact CG2-CE1 4.06Å; I463-F465 HydrophobicContact CG2-CE2 3.57Å; I463-F465 HydrophobicContact CG2-CG 4.2Å; I463-F465 HydrophobicContact CG2-CZ 3.69Å; F465-I470 HydrophobicContact CB-CD1 3.77Å; F465-I470 HydrophobicContact CD1-CD1 4.41Å; F465-I470 HydrophobicContact CD2-CD1 4.48Å; F465-I470 HydrophobicContact CG-CD1 3.99Å; F465-L486 HydrophobicContact CD2-CD2 3.66Å; F465-L486 HydrophobicContact CE2-CD2 3.99Å; F465-L486 HydrophobicContact CG-CD2 4.5Å; F465-I489 HydrophobicContact CB-CD1 3.62Å
466	T	88.5	Confident	90.9	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.288	25%	0.249	S	C	.	.			trans	-126.2	9.5	172.4	53.5	0	0	0	0	111.7	S446 Q491	S446-T466 VanDerWaalsContact CA-OG1 3.24Å; S446-T466 WeakPolarHBondContact CA-OG1 3.49Å; T466-Q491 VanDerWaalsContact C-NE2 3.35Å; T466-Q491 VanDerWaalsContact O-CD 3.27Å; T466-Q491 WeakPolarHBondContact O-CG 3.39Å; T466-Q491 PolarHBondContact O-NE2 2.98Å
467	A	92.4	Very high	90.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	23%	0.232	C	C	.	.			trans	-74.5	147.3	-178.6	0	0	0	0	0	112.7	I447 L448 V450 I470	I447-A467 WeakPolarHBondContact O-CA 3.28Å; L448-A467 CarbonylContact O-C 3.59Å; L448-A467 WeakPolarHBondContact O-CA 3.29Å; L448-A467 WeakPolarHBondContact O-CB 3.44Å; V450-A467 HydrophobicContact CG1-CB 4.09Å; A467-I470 HydrophobicContact CB-CD1 4.45Å; A467-I470 HydrophobicContact CB-CG1 3.87Å
468	S	95.1	Very high	90.8	Very high	19 Å²	19	49.9 Å²	49.9	13%	0.133	25%	0.253	C	S	.	.	S	Bend	trans	-83.4	-20.9	168.3	66.7	0	0	0	0	112.2	L448 Q491 Q493 F494	L448-S468 WeakPolarHBondContact CD1-OG 3.42Å; L448-S468 PolarHBondContact O-N 3.28Å; L448-S468 PolarHBondContact O-OG 3.18Å; S468-Q491 VanDerWaalsContact CA-O 3.27Å; S468-Q491 WeakPolarHBondContact CA-O 3.42Å; S468-Q491 WeakPolarHBondContact CB-O 3.35Å; S468-Q493 PolarHBondContact O-N 3.22Å; S468-F494 PolarHBondContact O-N 3.01Å
469	Y	97.1	Very high	90.8	Very high	30 Å²	30	47.9 Å²	47.9	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.1	177.7	-171.5	-76.1	0	0	0	110.1	L26 L448 A449 V450 F451 Q471 F494 I496	L26-Y469 HydrophobicContact CD1-CD2 4.39Å; L26-Y469 HydrophobicContact CD1-CE2 4.17Å; L448-Y469 PolarHBondContact O-N 3.33Å; A449-Y469 WeakPolarHBondContact CA-O 3.45Å; A449-Y469 HydrophobicContact CB-CD1 4.46Å; V450-Y469 PolarHBondContact N-O 3.06Å; F451-Y469 HydrophobicContact CD1-CE1 4.04Å; F451-Y469 HydrophobicContact CE1-CD1 4.07Å; F451-Y469 AromaticContact CE1-CE1 3.34Å; F451-Y469 HydrophobicContact CE1-CE1 3.34Å; F451-Y469 HydrophobicContact CZ-CD1 4.04Å; F451-Y469 AromaticContact CZ-CE1 3.72Å; F451-Y469 HydrophobicContact CZ-CE1 3.72Å; Y469-Q471 HydrophobicContact CE1-CB 3.92Å; Y469-F494 HydrophobicContact CD2-CB 3.39Å; Y469-F494 HydrophobicContact CD2-CD2 4.02Å; Y469-F494 AromaticContact CD2-CG 3.74Å; Y469-F494 HydrophobicContact CD2-CG 3.74Å; Y469-F494 HydrophobicContact CE2-CB 3.78Å; Y469-F494 HydrophobicContact CE2-CD1 4.44Å; Y469-F494 HydrophobicContact CE2-CG 4.08Å; Y469-F494 HydrophobicContact CG-CB 4.12Å; Y469-I496 HydrophobicContact CE1-CD1 4.33Å; Y469-I496 WeakPolarHBondContact OH-CD1 3.31Å
470	I	96.5	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.4	178.6	-59.7	178.4	0	0	0	109.2	V450 F465 A467 L472 L486 I489 L492 F494 L495 I496	V450-I470 HydrophobicContact CG1-CB 4.28Å; V450-I470 HydrophobicContact CG1-CG1 3.9Å; V450-I470 HydrophobicContact CG1-CG2 4.14Å; F465-I470 HydrophobicContact CB-CD1 3.77Å; F465-I470 HydrophobicContact CD1-CD1 4.41Å; F465-I470 HydrophobicContact CD2-CD1 4.48Å; F465-I470 HydrophobicContact CG-CD1 3.99Å; A467-I470 HydrophobicContact CB-CD1 4.45Å; A467-I470 HydrophobicContact CB-CG1 3.87Å; I470-L472 HydrophobicContact CG2-CD1 3.54Å; I470-L472 HydrophobicContact CG2-CG 3.81Å; I470-L486 HydrophobicContact CD1-CD2 3.97Å; I470-I489 HydrophobicContact CD1-CD1 3.64Å; I470-L492 HydrophobicContact CB-CD1 4.11Å; I470-L492 HydrophobicContact CD1-CD1 3.68Å; I470-L492 HydrophobicContact CG1-CD1 3.68Å; I470-F494 PolarHBondContact N-O 2.97Å; I470-L495 HydrophobicContact CB-CD1 3.98Å; I470-L495 HydrophobicContact CG2-CD1 4.02Å; I470-I496 PolarHBondContact O-N 2.92Å
471	Q	97.5	Very high	91	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.8	173.7	-168	-76.2	-21.5	0	0	109.9	V450 F451 L452 G453 Y469 S473 I496	V450-Q471 PolarHBondContact O-N 3.35Å; F451-Q471 HydrophobicContact CD1-CB 3.83Å; F451-Q471 HydrophobicContact CD1-CG 4.34Å; F451-Q471 HydrophobicContact CE1-CB 4.47Å; L452-Q471 WeakPolarHBondContact CA-O 3.21Å; L452-Q471 PolarHBondContact N-O 3.46Å; G453-Q471 VanDerWaalsContact CA-OE1 3.23Å; Y469-Q471 HydrophobicContact CE1-CB 3.92Å; Q471-S473 VanDerWaalsContact NE2-N 3.18Å; Q471-S473 PolarHBondContact NE2-OG 2.85Å; Q471-I496 HydrophobicContact CB-CB 4.5Å; Q471-I496 HydrophobicContact CB-CD1 4.24Å; Q471-I496 HydrophobicContact CG-CB 4.08Å; Q471-I496 HydrophobicContact CG-CD1 3.87Å; Q471-I496 HydrophobicContact CG-CG2 4.35Å
472	L	97.5	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.			trans	-134	19.2	-173.3	-78.6	163.1	0	0	0	111.9	L452 L457 L460 I470 N475 L486 I496 L497 N500	L452-L472 HydrophobicContact CB-CD2 3.63Å; L452-L472 HydrophobicContact CB-CG 4.46Å; L452-L472 HydrophobicContact CD1-CD2 3.88Å; L452-L472 HydrophobicContact CG-CD2 4.42Å; L457-L472 HydrophobicContact CD1-CD2 3.81Å; L460-L472 HydrophobicContact CD1-CD1 3.84Å; L460-L472 HydrophobicContact CD2-CD2 4.3Å; I470-L472 HydrophobicContact CG2-CD1 3.54Å; I470-L472 HydrophobicContact CG2-CG 3.81Å; L472-N475 PolarHBondContact O-ND2 3.02Å; L472-L486 HydrophobicContact CD1-CD1 3.72Å; L472-L486 HydrophobicContact CD1-CD2 4.45Å; L472-I496 WeakPolarHBondContact CA-O 3.26Å; L472-I496 PolarHBondContact N-O 2.93Å; L472-L497 HydrophobicContact CB-CD2 3.75Å; L472-L497 HydrophobicContact CD1-CD2 3.9Å; L472-L497 HydrophobicContact CG-CD2 4.5Å; L472-N500 PolarHBondContact O-ND2 2.88Å
473	S	97.9	Very high	92.8	Very high	11 Å²	11	35.7 Å²	35.7	8%	0.077	16%	0.162	C	C	.	.			trans	-61.3	157.4	-176.7	-46.8	0	0	0	0	112.6	G453 G454 Q471 N475 I496 N498	G453-S473 CarbonylContact C-O 3.5Å; G453-S473 WeakPolarHBondContact CA-O 3.21Å; G454-S473 PolarHBondContact N-O 3.46Å; Q471-S473 VanDerWaalsContact NE2-N 3.18Å; Q471-S473 PolarHBondContact NE2-OG 2.85Å; S473-N475 VanDerWaalsContact C-N 3.29Å; S473-N475 PolarHBondContact O-N 2.86Å; S473-N475 PolarHBondContact O-ND2 3.38Å; S473-I496 WeakPolarHBondContact OG-CG2 3.43Å; S473-N498 CarbonylContact C-O 3.51Å; S473-N498 WeakPolarHBondContact CA-O 3.44Å; S473-N498 VanDerWaalsContact CB-O 3.26Å; S473-N498 WeakPolarHBondContact CB-O 3.36Å
474	E	97.9	Very high	93.3	Very high	104 Å²	104	34.4 Å²	34.4	49%	0.486	16%	0.155	S	C	.	.	S	Bend	trans	59	41.1	173.8	-60.7	175.3	-112.8	0	0	112.6	G454 N455 N498 Q499	G454-E474 VanDerWaalsContact CA-O 3.32Å; G454-E474 WeakPolarHBondContact CA-O 3.49Å; G454-E474 PolarHBondContact N-O 3.41Å; N455-E474 PolarHBondContact N-O 3.4Å; E474-N498 PolarHBondContact N-O 3.02Å; E474-Q499 WeakPolarHBondContact CA-O 3.47Å; E474-Q499 HydrophobicContact CG-CB 3.84Å; E474-Q499 VanDerWaalsContact CG-OE1 3.22Å; E474-Q499 PolarHBondContact N-O 3.06Å
475	N	98.1	Very high	93.6	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.032	13%	0.13	C	C	.	.	S	Bend	trans	-110.3	-165.9	171.8	-87	-74.7	0	0	0	110.3	L452 N455 L457 L472 S473 L477 N500	L452-N475 PolarHBondContact O-ND2 3.33Å; N455-N475 WeakPolarHBondContact CA-OD1 3.32Å; N455-N475 WeakPolarHBondContact CB-OD1 3.47Å; N455-N475 PolarHBondContact O-OD1 2.83Å; L457-N475 HydrophobicContact CB-CB 4.33Å; L457-N475 VanDerWaalsContact CB-OD1 3.31Å; L457-N475 WeakPolarHBondContact CB-OD1 3.35Å; L457-N475 WeakPolarHBondContact CG-OD1 3.38Å; L457-N475 PolarHBondContact N-OD1 3.33Å; L457-N475 VanDerWaalsContact N-OD1 3.13Å; L472-N475 PolarHBondContact O-ND2 3.02Å; S473-N475 VanDerWaalsContact C-N 3.29Å; S473-N475 PolarHBondContact O-N 2.86Å; S473-N475 PolarHBondContact O-ND2 3.38Å; N475-L477 HydrophobicContact CB-CG 4.44Å; N475-N500 WeakPolarHBondContact CA-OD1 3.41Å; N475-N500 WeakPolarHBondContact CB-OD1 3.43Å
476	R	96.7	Very high	93.8	Very high	106 Å²	106	25.3 Å²	25.3	40%	0.4	13%	0.127	S	C	.	.			trans	-123.1	28.4	-176.7	-56.1	177.2	-177.6	-171.2	-5.2	111.5	L457 E478 N500	L457-R476 CarbonylContact O-C 3.36Å; L457-R476 WeakPolarHBondContact O-CA 3.11Å; L457-R476 WeakPolarHBondContact O-CB 3.46Å; L457-R476 PolarHBondContact O-N 3.16Å; R476-E478 PolarHBondContact O-N 3.2Å; R476-N500 PolarHBondContact N-OD1 2.85Å
477	L	95.9	Very high	93.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.114	C	C	.	.			trans	-65.7	124.3	179	-59.1	176.5	0	0	0	109.6	L457 L460 N475 L497 N500 R501 L502	L457-L477 HydrophobicContact CB-CD2 4.31Å; L457-L477 PolarHBondContact O-N 3.11Å; L460-L477 HydrophobicContact CD1-CD1 4.01Å; L460-L477 HydrophobicContact CD1-CD2 4.4Å; L460-L477 HydrophobicContact CD2-CD2 4.05Å; L460-L477 HydrophobicContact CG-CD1 4.31Å; L460-L477 HydrophobicContact CG-CD2 3.79Å; N475-L477 HydrophobicContact CB-CG 4.44Å; L477-L497 HydrophobicContact CD1-CD2 3.69Å; L477-N500 HydrophobicContact CB-CB 4.39Å; L477-N500 WeakPolarHBondContact CB-OD1 3.45Å; L477-N500 WeakPolarHBondContact CG-OD1 3.49Å; L477-N500 PolarHBondContact N-OD1 2.96Å; L477-R501 CarbonylContact O-C 3.09Å; L477-R501 WeakPolarHBondContact O-CA 3.39Å; L477-R501 WeakPolarHBondContact O-CB 3.12Å; L477-R501 PolarHBondContact O-N 3.36Å; L477-L502 HydrophobicContact CB-CD2 4.06Å; L477-L502 PolarHBondContact O-N 3.27Å
478	E	94.4	Very high	93.5	Very high	96 Å²	96	28.7 Å²	28.7	45%	0.449	14%	0.135	S	C	.	.			trans	-108.1	-25.8	-173.3	-75	177.1	-167.5	0	0	113.7	R476 R501 S503 S504	R476-E478 PolarHBondContact O-N 3.2Å; E478-R501 WeakPolarHBondContact CA-O 3.37Å; E478-R501 HydrophobicContact CG-CB 3.91Å; E478-S503 PolarHBondContact O-N 2.98Å; E478-S504 PolarHBondContact O-N 2.89Å; E478-S504 PolarHBondContact O-OG 2.79Å; E478-S504 VanDerWaalsContact O-OG 3.05Å
479	N	92.6	Very high	93.2	Very high	14 Å²	14	28.5 Å²	28.5	8%	0.075	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-110.7	135.9	-172.4	-157.7	-70.5	0	0	0	112.9	S481 D482 L502 S504 R506	N479-S481 PolarHBondContact O-N 3.32Å; N479-S481 VanDerWaalsContact O-N 3.15Å; N479-S481 VanDerWaalsContact OD1-CB 3.27Å; N479-S481 WeakPolarHBondContact OD1-CB 3.23Å; N479-S481 PolarHBondContact OD1-N 2.86Å; N479-S481 PolarHBondContact OD1-OG 3.14Å; N479-D482 PolarHBondContact O-N 3.17Å; N479-L502 WeakPolarHBondContact O-CD2 3.44Å; N479-S504 WeakPolarHBondContact CA-O 3.18Å; N479-S504 PolarHBondContact ND2-OG 2.92Å; N479-R506 WeakPolarHBondContact ND2-CG 3.43Å; N479-R506 PolarHBondContact OD1-N 2.83Å
480	L	91.8	Very high	92.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-17.8	174.1	-73.7	176.7	0	0	0	113.7	D482 L483 Y484 L502 S504 C505 L527 A530 C536	L480-D482 PolarHBondContact O-N 3.38Å; L480-L483 HydrophobicContact CD2-CD2 4.06Å; L480-L483 WeakPolarHBondContact O-CA 3.35Å; L480-L483 WeakPolarHBondContact O-CB 3.31Å; L480-L483 PolarHBondContact O-N 3.22Å; L480-Y484 HydrophobicContact CB-CD2 4.47Å; L480-Y484 HydrophobicContact CB-CE2 4.26Å; L480-Y484 WeakPolarHBondContact O-CD2 3.28Å; L480-Y484 PolarHBondContact O-N 3.07Å; L480-L502 HydrophobicContact CD2-CB 4.34Å; L480-L502 HydrophobicContact CD2-CD1 4.34Å; L480-S504 PolarHBondContact N-O 2.87Å; L480-C505 HydrophobicContact CD1-CB 4.39Å; L480-L527 HydrophobicContact CD2-CD2 3.7Å; L480-A530 HydrophobicContact CD1-CB 3.74Å; L480-A530 HydrophobicContact CG-CB 4.41Å; L480-C536 HydrophobicContact CD1-CB 3.83Å
481	S	89.6	Confident	92.4	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-31.7	173.7	60.8	0	0	0	0	113.3	N479 Y484 S485	N479-S481 PolarHBondContact O-N 3.32Å; N479-S481 VanDerWaalsContact O-N 3.15Å; N479-S481 VanDerWaalsContact OD1-CB 3.27Å; N479-S481 WeakPolarHBondContact OD1-CB 3.23Å; N479-S481 PolarHBondContact OD1-N 2.86Å; N479-S481 PolarHBondContact OD1-OG 3.14Å; S481-Y484 PolarHBondContact O-N 2.78Å; S481-S485 WeakPolarHBondContact O-CB 3.27Å; S481-S485 PolarHBondContact O-N 2.89Å; S481-S485 PolarHBondContact O-OG 2.87Å
482	D	91.3	Very high	92.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-44.6	174.3	-68	-49.5	0	0	0	110.8	L460 N479 L480 S485 L486	L460-D482 HydrophobicContact CD1-CB 4.14Å; L460-D482 HydrophobicContact CG-CB 4.34Å; L460-D482 PolarHBondContact N-OD1 3.1Å; N479-D482 PolarHBondContact O-N 3.17Å; L480-D482 PolarHBondContact O-N 3.38Å; D482-S485 PolarHBondContact O-N 2.98Å; D482-L486 WeakPolarHBondContact O-CG 3.41Å; D482-L486 PolarHBondContact O-N 3.49Å
483	L	91.7	Very high	92	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-47.9	174.6	175.9	59.2	0	0	0	110.8	L480 S485 L486 L487 L495 L497 L520 L522 V539	L480-L483 HydrophobicContact CD2-CD2 4.06Å; L480-L483 WeakPolarHBondContact O-CA 3.35Å; L480-L483 WeakPolarHBondContact O-CB 3.31Å; L480-L483 PolarHBondContact O-N 3.22Å; L483-S485 PolarHBondContact O-N 2.85Å; L483-L486 PolarHBondContact O-N 3.25Å; L483-L486 VanDerWaalsContact O-N 3.16Å; L483-L487 HydrophobicContact CD1-CD1 3.97Å; L483-L487 HydrophobicContact CD1-CD2 4.09Å; L483-L487 HydrophobicContact CD1-CG 3.8Å; L483-L487 HydrophobicContact CG-CD1 3.92Å; L483-L487 HydrophobicContact CG-CG 4.2Å; L483-L487 WeakPolarHBondContact O-CB 3.5Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.29Å; L483-L487 PolarHBondContact O-N 3.3Å; L483-L495 HydrophobicContact CD1-CD2 3.73Å; L483-L497 HydrophobicContact CD1-CD1 3.67Å; L483-L520 HydrophobicContact CD1-CD1 4.34Å; L483-L522 HydrophobicContact CD2-CD1 4.08Å; L483-L522 HydrophobicContact CD2-CD2 4.01Å; L483-V539 HydrophobicContact CD2-CG2 3.61Å; L483-V539 HydrophobicContact CG-CG2 4.08Å
484	Y	89.3	Confident	92	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-55.7	-40.2	175.6	-78.3	-78.9	0	0	0	112.7	L480 S481 L487 R488 A510 C536 N538 V539	L480-Y484 HydrophobicContact CB-CD2 4.47Å; L480-Y484 HydrophobicContact CB-CE2 4.26Å; L480-Y484 WeakPolarHBondContact O-CD2 3.28Å; L480-Y484 PolarHBondContact O-N 3.07Å; S481-Y484 PolarHBondContact O-N 2.78Å; Y484-L487 PolarHBondContact O-N 3.4Å; Y484-R488 WeakPolarHBondContact O-CG 3.33Å; Y484-R488 PolarHBondContact O-N 3.08Å; Y484-A510 HydrophobicContact CD1-CB 4.49Å; Y484-A510 HydrophobicContact CE1-CB 3.98Å; Y484-C536 HydrophobicContact CE2-CB 4.2Å; Y484-C536 WeakPolarHBondContact OH-CA 3.43Å; Y484-C536 PolarHBondContact OH-O 2.83Å; Y484-N538 PolarHBondContact OH-OD1 2.87Å; Y484-N538 VanDerWaalsContact OH-OD1 3.06Å; Y484-V539 HydrophobicContact CE1-CB 4.3Å; Y484-V539 HydrophobicContact CE1-CG2 4.21Å; Y484-V539 HydrophobicContact CE2-CB 4.33Å; Y484-V539 HydrophobicContact CE2-CG2 4.01Å; Y484-V539 WeakPolarHBondContact OH-CA 3.4Å; Y484-V539 WeakPolarHBondContact OH-CB 3.17Å; Y484-V539 PolarHBondContact OH-N 2.96Å
485	S	87.8	Confident	92	Very high	43 Å²	43	35 Å²	35	30%	0.301	17%	0.169	S	C	.	.	H	α-helix	trans	-67	-41.3	179.6	-59.6	0	0	0	0	111.8	S481 D482 L483 R488	S481-S485 WeakPolarHBondContact O-CB 3.27Å; S481-S485 PolarHBondContact O-N 2.89Å; S481-S485 PolarHBondContact O-OG 2.87Å; D482-S485 PolarHBondContact O-N 2.98Å; L483-S485 PolarHBondContact O-N 2.85Å; S485-R488 PolarHBondContact O-N 3.12Å
486	L	90.7	Very high	92	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-40	175.8	-68	169.1	0	0	0	112.1	L460 F465 I470 L472 D482 L483 R488 I489 L492 L495 L497	L460-L486 HydrophobicContact CD1-CD1 3.63Å; L460-L486 HydrophobicContact CD1-CD2 4.11Å; L460-L486 HydrophobicContact CD1-CG 3.99Å; F465-L486 HydrophobicContact CD2-CD2 3.66Å; F465-L486 HydrophobicContact CE2-CD2 3.99Å; F465-L486 HydrophobicContact CG-CD2 4.5Å; I470-L486 HydrophobicContact CD1-CD2 3.97Å; L472-L486 HydrophobicContact CD1-CD1 3.72Å; L472-L486 HydrophobicContact CD1-CD2 4.45Å; D482-L486 WeakPolarHBondContact O-CG 3.41Å; D482-L486 PolarHBondContact O-N 3.49Å; L483-L486 PolarHBondContact O-N 3.25Å; L483-L486 VanDerWaalsContact O-N 3.16Å; L486-R488 PolarHBondContact O-N 2.76Å; L486-I489 HydrophobicContact CB-CD1 4.49Å; L486-I489 HydrophobicContact CD2-CD1 4.01Å; L486-I489 VanDerWaalsContact O-CB 3.32Å; L486-I489 WeakPolarHBondContact O-CB 3.31Å; L486-I489 VanDerWaalsContact O-CD1 3.31Å; L486-I489 WeakPolarHBondContact O-CD1 3.33Å; L486-I489 WeakPolarHBondContact O-CG1 3.43Å; L486-I489 PolarHBondContact O-N 2.94Å; L486-I489 VanDerWaalsContact O-N 3.07Å; L486-L492 WeakPolarHBondContact O-CD2 3.39Å; L486-L495 HydrophobicContact CB-CD2 4.06Å; L486-L495 HydrophobicContact CD1-CD1 3.99Å; L486-L495 HydrophobicContact CD1-CD2 4.32Å; L486-L497 HydrophobicContact CD1-CD1 4.38Å; L486-L497 HydrophobicContact CD1-CD2 4.28Å
487	L	89.3	Confident	92	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-21.4	178.3	-67.5	177.9	0	0	0	112.2	L483 Y484 I489 L495 P511 L515 L517 V539 L543	L483-L487 HydrophobicContact CD1-CD1 3.97Å; L483-L487 HydrophobicContact CD1-CD2 4.09Å; L483-L487 HydrophobicContact CD1-CG 3.8Å; L483-L487 HydrophobicContact CG-CD1 3.92Å; L483-L487 HydrophobicContact CG-CG 4.2Å; L483-L487 WeakPolarHBondContact O-CB 3.5Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.29Å; L483-L487 PolarHBondContact O-N 3.3Å; Y484-L487 PolarHBondContact O-N 3.4Å; L487-I489 PolarHBondContact O-N 3.47Å; L487-L495 HydrophobicContact CD2-CD2 4.26Å; L487-P511 HydrophobicContact CB-CG 4.37Å; L487-L515 HydrophobicContact CB-CD1 4.24Å; L487-L515 WeakPolarHBondContact O-CD1 3.25Å; L487-L515 WeakPolarHBondContact O-CD2 3.31Å; L487-L515 WeakPolarHBondContact O-CG 3.3Å; L487-L517 HydrophobicContact CD2-CD2 3.57Å; L487-V539 HydrophobicContact CD1-CG2 4.28Å; L487-V539 WeakPolarHBondContact CD1-O 3.37Å; L487-L543 HydrophobicContact CD1-CD1 4.44Å; L487-L543 HydrophobicContact CD2-CD1 4.31Å; L487-L543 HydrophobicContact CD2-CD2 4.11Å
488	R	85.8	Confident	92.1	Very high	118 Å²	118	31.3 Å²	31.3	45%	0.445	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-5.5	174.8	-70.6	169.5	178.5	-164	-2.9	114.2	Y484 S485 L486 P490 Q509	Y484-R488 WeakPolarHBondContact O-CG 3.33Å; Y484-R488 PolarHBondContact O-N 3.08Å; S485-R488 PolarHBondContact O-N 3.12Å; L486-R488 PolarHBondContact O-N 2.76Å; R488-P490 WeakPolarHBondContact O-CD 3.44Å; R488-Q509 PolarHBondContact NH2-O 3.5Å
489	I	88	Confident	92.3	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.077	15%	0.154	C	C	.	.			trans	-77.1	114.1	-178.8	-58.8	163.8	0	0	0	108.8	F465 I470 L486 L487 Q491 L492	F465-I489 HydrophobicContact CB-CD1 3.62Å; I470-I489 HydrophobicContact CD1-CD1 3.64Å; L486-I489 HydrophobicContact CB-CD1 4.49Å; L486-I489 HydrophobicContact CD2-CD1 4.01Å; L486-I489 VanDerWaalsContact O-CB 3.32Å; L486-I489 WeakPolarHBondContact O-CB 3.31Å; L486-I489 VanDerWaalsContact O-CD1 3.31Å; L486-I489 WeakPolarHBondContact O-CD1 3.33Å; L486-I489 WeakPolarHBondContact O-CG1 3.43Å; L486-I489 PolarHBondContact O-N 2.94Å; L486-I489 VanDerWaalsContact O-N 3.07Å; L487-I489 PolarHBondContact O-N 3.47Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 HydrophobicContact CG2-CG 4.27Å; I489-Q491 PolarHBondContact O-N 3.15Å; I489-L492 HydrophobicContact CB-CB 3.96Å; I489-L492 HydrophobicContact CG2-CB 4.01Å; I489-L492 WeakPolarHBondContact O-CB 3.48Å; I489-L492 PolarHBondContact O-N 2.95Å
490	P	86.3	Confident	92.5	Very high	88 Å²	88	30.2 Å²	30.2	57%	0.571	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-30	-167.5	25.2	-34.6	0	0	0	113.9	R488 S516	R488-P490 WeakPolarHBondContact O-CD 3.44Å; P490-S516 VanDerWaalsContact O-CB 3.28Å; P490-S516 WeakPolarHBondContact O-CB 3.23Å; P490-S516 PolarHBondContact O-OG 3.43Å
491	Q	89.7	Confident	92.8	Very high	92 Å²	92	35.5 Å²	35.5	43%	0.43	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.1	-178.2	64.1	-137.9	-15	0	0	114.2	T466 S468 I489 Q493	T466-Q491 VanDerWaalsContact C-NE2 3.35Å; T466-Q491 VanDerWaalsContact O-CD 3.27Å; T466-Q491 WeakPolarHBondContact O-CG 3.39Å; T466-Q491 PolarHBondContact O-NE2 2.98Å; S468-Q491 VanDerWaalsContact CA-O 3.27Å; S468-Q491 WeakPolarHBondContact CA-O 3.42Å; S468-Q491 WeakPolarHBondContact CB-O 3.35Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 HydrophobicContact CG2-CG 4.27Å; I489-Q491 PolarHBondContact O-N 3.15Å; Q491-Q493 PolarHBondContact O-N 2.85Å
492	L	92.9	Very high	93.1	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.166	C	C	.	.			trans	-67.7	122	179.9	-171.4	65.4	0	0	0	110.2	I470 L486 I489 F494 L495 S516 L517	I470-L492 HydrophobicContact CB-CD1 4.11Å; I470-L492 HydrophobicContact CD1-CD1 3.68Å; I470-L492 HydrophobicContact CG1-CD1 3.68Å; L486-L492 WeakPolarHBondContact O-CD2 3.39Å; I489-L492 HydrophobicContact CB-CB 3.96Å; I489-L492 HydrophobicContact CG2-CB 4.01Å; I489-L492 WeakPolarHBondContact O-CB 3.48Å; I489-L492 PolarHBondContact O-N 2.95Å; L492-F494 WeakPolarHBondContact CD1-O 3.21Å; L492-L495 HydrophobicContact CD2-CB 4.09Å; L492-L495 HydrophobicContact CD2-CD2 4.08Å; L492-L495 HydrophobicContact CD2-CG 4.48Å; L492-L495 HydrophobicContact CG-CB 4.48Å; L492-S516 CarbonylContact O-C 3.14Å; L492-L517 HydrophobicContact CD2-CD1 4.04Å; L492-L517 HydrophobicContact CG-CD1 3.79Å; L492-L517 WeakPolarHBondContact O-CA 3.29Å; L492-L517 PolarHBondContact O-N 3.37Å
493	Q	95.3	Very high	93.2	Very high	76 Å²	76	35.8 Å²	35.8	36%	0.355	17%	0.174	S	C	.	.			trans	-111.1	-36.4	178.7	-70.5	176.1	2.3	0	0	111.4	S468 Q491 E518 Q519	S468-Q493 PolarHBondContact O-N 3.22Å; Q491-Q493 PolarHBondContact O-N 2.85Å; Q493-E518 PolarHBondContact O-N 3.45Å; Q493-Q519 PolarHBondContact O-N 3.24Å; Q493-Q519 VanDerWaalsContact O-N 3.13Å
494	F	96.8	Very high	93.3	Very high	43 Å²	43	37.8 Å²	37.8	19%	0.189	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.4	-177	-63	-94.6	0	0	0	110.4	S468 Y469 I470 L492 Q519	S468-F494 PolarHBondContact O-N 3.01Å; Y469-F494 HydrophobicContact CD2-CB 3.39Å; Y469-F494 HydrophobicContact CD2-CD2 4.02Å; Y469-F494 AromaticContact CD2-CG 3.74Å; Y469-F494 HydrophobicContact CD2-CG 3.74Å; Y469-F494 HydrophobicContact CE2-CB 3.78Å; Y469-F494 HydrophobicContact CE2-CD1 4.44Å; Y469-F494 HydrophobicContact CE2-CG 4.08Å; Y469-F494 HydrophobicContact CG-CB 4.12Å; I470-F494 PolarHBondContact N-O 2.97Å; L492-F494 WeakPolarHBondContact CD1-O 3.21Å; F494-Q519 HydrophobicContact CD1-CB 3.97Å; F494-Q519 HydrophobicContact CD1-CG 4.1Å; F494-Q519 HydrophobicContact CE1-CB 4.31Å; F494-Q519 VanDerWaalsContact CE1-CD 3.49Å; F494-Q519 HydrophobicContact CE1-CG 3.91Å
495	L	97.4	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122	176	179.7	57.7	0	0	0	110.9	I470 L483 L486 L487 L492 L497 L517 Q519 L520 F521	I470-L495 HydrophobicContact CB-CD1 3.98Å; I470-L495 HydrophobicContact CG2-CD1 4.02Å; L483-L495 HydrophobicContact CD1-CD2 3.73Å; L486-L495 HydrophobicContact CB-CD2 4.06Å; L486-L495 HydrophobicContact CD1-CD1 3.99Å; L486-L495 HydrophobicContact CD1-CD2 4.32Å; L487-L495 HydrophobicContact CD2-CD2 4.26Å; L492-L495 HydrophobicContact CD2-CB 4.09Å; L492-L495 HydrophobicContact CD2-CD2 4.08Å; L492-L495 HydrophobicContact CD2-CG 4.48Å; L492-L495 HydrophobicContact CG-CB 4.48Å; L495-L497 HydrophobicContact CD1-CD1 4.07Å; L495-L497 HydrophobicContact CD1-CG 4.08Å; L495-L497 HydrophobicContact CD2-CD1 3.74Å; L495-L497 HydrophobicContact CG-CD1 3.81Å; L495-L497 HydrophobicContact CG-CG 4.18Å; L495-L517 HydrophobicContact CB-CD1 3.9Å; L495-Q519 PolarHBondContact N-O 3.24Å; L495-L520 HydrophobicContact CB-CD1 3.96Å; L495-L520 HydrophobicContact CD2-CD1 3.81Å; L495-L520 HydrophobicContact CG-CD1 3.89Å; L495-L520 WeakPolarHBondContact O-CA 3.36Å; L495-F521 PolarHBondContact O-N 3.2Å
496	I	98.4	Very high	93.2	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.9	-178.4	-49.8	165.1	0	0	0	109.5	M22 Y469 I470 Q471 L472 S473 F521	M22-I496 HydrophobicContact CE-CD1 3.33Å; M22-I496 HydrophobicContact CE-CG1 4.31Å; M22-I496 HydrophobicContact SD-CD1 4.39Å; Y469-I496 HydrophobicContact CE1-CD1 4.33Å; Y469-I496 WeakPolarHBondContact OH-CD1 3.31Å; I470-I496 PolarHBondContact O-N 2.92Å; Q471-I496 HydrophobicContact CB-CB 4.5Å; Q471-I496 HydrophobicContact CB-CD1 4.24Å; Q471-I496 HydrophobicContact CG-CB 4.08Å; Q471-I496 HydrophobicContact CG-CD1 3.87Å; Q471-I496 HydrophobicContact CG-CG2 4.35Å; L472-I496 WeakPolarHBondContact CA-O 3.26Å; L472-I496 PolarHBondContact N-O 2.93Å; S473-I496 WeakPolarHBondContact OG-CG2 3.43Å; I496-F521 HydrophobicContact CB-CB 4.44Å; I496-F521 HydrophobicContact CB-CD2 4.45Å; I496-F521 HydrophobicContact CG1-CD2 3.71Å; I496-F521 HydrophobicContact CG1-CE2 4.21Å; I496-F521 HydrophobicContact CG1-CG 4.32Å; I496-F521 HydrophobicContact CG2-CB 4.03Å; I496-F521 HydrophobicContact CG2-CG 4.41Å
497	L	97.9	Very high	92.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.247	C	C	.	.			trans	-128.3	24.5	-175.2	-75.6	159.9	0	0	0	111.9	L472 L477 L483 L486 L495 N500 F521 L522 N525	L472-L497 HydrophobicContact CB-CD2 3.75Å; L472-L497 HydrophobicContact CD1-CD2 3.9Å; L472-L497 HydrophobicContact CG-CD2 4.5Å; L477-L497 HydrophobicContact CD1-CD2 3.69Å; L483-L497 HydrophobicContact CD1-CD1 3.67Å; L486-L497 HydrophobicContact CD1-CD1 4.38Å; L486-L497 HydrophobicContact CD1-CD2 4.28Å; L495-L497 HydrophobicContact CD1-CD1 4.07Å; L495-L497 HydrophobicContact CD1-CG 4.08Å; L495-L497 HydrophobicContact CD2-CD1 3.74Å; L495-L497 HydrophobicContact CG-CD1 3.81Å; L495-L497 HydrophobicContact CG-CG 4.18Å; L497-N500 PolarHBondContact O-ND2 3.34Å; L497-F521 WeakPolarHBondContact CA-O 3.45Å; L497-F521 WeakPolarHBondContact CB-O 3.49Å; L497-F521 PolarHBondContact N-O 3.04Å; L497-L522 HydrophobicContact CB-CD2 3.92Å; L497-L522 HydrophobicContact CD1-CD2 3.86Å; L497-N525 PolarHBondContact O-ND2 3.33Å
498	N	98	Very high	91.2	Very high	28 Å²	28	55 Å²	55	15%	0.15	26%	0.262	C	S	.	.			trans	-61.8	151.5	-175.2	-63.9	-9.8	0	0	0	112.1	S473 E474 N500 F521 L522 S523	S473-N498 CarbonylContact C-O 3.51Å; S473-N498 WeakPolarHBondContact CA-O 3.44Å; S473-N498 VanDerWaalsContact CB-O 3.26Å; S473-N498 WeakPolarHBondContact CB-O 3.36Å; E474-N498 PolarHBondContact N-O 3.02Å; N498-N500 VanDerWaalsContact C-N 3.27Å; N498-N500 PolarHBondContact O-N 2.91Å; N498-N500 PolarHBondContact O-ND2 3Å; N498-F521 WeakPolarHBondContact OD1-CB 3.12Å; N498-F521 PolarHBondContact OD1-O 3.44Å; N498-L522 PolarHBondContact OD1-N 2.79Å; N498-S523 CarbonylContact C-O 3.46Å; N498-S523 WeakPolarHBondContact CA-O 3.35Å; N498-S523 WeakPolarHBondContact OD1-CB 3.29Å; N498-S523 PolarHBondContact OD1-N 3.46Å; N498-S523 PolarHBondContact OD1-OG 2.89Å
499	Q	97.6	Very high	90.3	Very high	79 Å²	79	57 Å²	57	37%	0.369	28%	0.277	S	S	.	.	S	Bend	trans	55.6	43.9	174.2	-61.2	178.6	25.1	0	0	112.3	E474 S523 E524	E474-Q499 WeakPolarHBondContact CA-O 3.47Å; E474-Q499 HydrophobicContact CG-CB 3.84Å; E474-Q499 VanDerWaalsContact CG-OE1 3.22Å; E474-Q499 PolarHBondContact N-O 3.06Å; Q499-S523 PolarHBondContact N-O 3.19Å; Q499-E524 VanDerWaalsContact CA-O 3.23Å; Q499-E524 WeakPolarHBondContact CA-O 3.3Å; Q499-E524 HydrophobicContact CB-CB 4.37Å; Q499-E524 HydrophobicContact CG-CB 3.59Å; Q499-E524 HydrophobicContact CG-CG 4.06Å; Q499-E524 WeakPolarHBondContact CG-OE1 3.26Å; Q499-E524 WeakPolarHBondContact CG-OE2 3.49Å; Q499-E524 PolarHBondContact N-O 3.06Å; Q499-E524 PolarHBondContact NE2-OE1 2.83Å; Q499-E524 PolarHBondContact NE2-OE2 3.05Å
500	N	98	Very high	89.2	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.048	28%	0.281	C	S	.	.			trans	-104.1	-165.7	169.1	-88.1	-82.1	0	0	0	109.5	L472 N475 R476 L477 L497 N498 L502 N525	L472-N500 PolarHBondContact O-ND2 2.88Å; N475-N500 WeakPolarHBondContact CA-OD1 3.41Å; N475-N500 WeakPolarHBondContact CB-OD1 3.43Å; R476-N500 PolarHBondContact N-OD1 2.85Å; L477-N500 HydrophobicContact CB-CB 4.39Å; L477-N500 WeakPolarHBondContact CB-OD1 3.45Å; L477-N500 WeakPolarHBondContact CG-OD1 3.49Å; L477-N500 PolarHBondContact N-OD1 2.96Å; L497-N500 PolarHBondContact O-ND2 3.34Å; N498-N500 VanDerWaalsContact C-N 3.27Å; N498-N500 PolarHBondContact O-N 2.91Å; N498-N500 PolarHBondContact O-ND2 3Å; N500-L502 HydrophobicContact CB-CG 4.43Å; N500-N525 WeakPolarHBondContact CA-OD1 3.45Å; N500-N525 WeakPolarHBondContact CB-OD1 3.47Å; N500-N525 PolarHBondContact O-OD1 2.85Å
501	R	96.3	Very high	88.2	Confident	112 Å²	112	53.8 Å²	53.8	42%	0.423	26%	0.258	S	S	.	.			trans	-123	27.3	-176.5	-61.9	-178.8	-177.7	-168.8	-5.2	112.4	L477 E478 S503 N525 M526	L477-R501 CarbonylContact O-C 3.09Å; L477-R501 WeakPolarHBondContact O-CA 3.39Å; L477-R501 WeakPolarHBondContact O-CB 3.12Å; L477-R501 PolarHBondContact O-N 3.36Å; E478-R501 WeakPolarHBondContact CA-O 3.37Å; E478-R501 HydrophobicContact CG-CB 3.91Å; R501-S503 WeakPolarHBondContact O-CB 3.32Å; R501-S503 PolarHBondContact O-N 3.29Å; R501-S503 PolarHBondContact O-OG 3.19Å; R501-N525 PolarHBondContact N-OD1 2.91Å; R501-M526 HydrophobicContact CB-CE 3.57Å; R501-M526 HydrophobicContact CG-CE 4.09Å; R501-M526 WeakPolarHBondContact O-CE 3.39Å
502	L	95.9	Very high	86.7	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.278	C	S	.	.			trans	-60.4	102.2	-175.2	-63.7	172.9	0	0	0	109.6	L477 N479 L480 N500 L522 N525 M526 L527	L477-L502 HydrophobicContact CB-CD2 4.06Å; L477-L502 PolarHBondContact O-N 3.27Å; N479-L502 WeakPolarHBondContact O-CD2 3.44Å; L480-L502 HydrophobicContact CD2-CB 4.34Å; L480-L502 HydrophobicContact CD2-CD1 4.34Å; N500-L502 HydrophobicContact CB-CG 4.43Å; L502-L522 HydrophobicContact CD1-CD2 3.9Å; L502-N525 HydrophobicContact CB-CB 4.23Å; L502-N525 WeakPolarHBondContact CB-OD1 3.48Å; L502-N525 WeakPolarHBondContact CG-OD1 3.32Å; L502-N525 PolarHBondContact N-OD1 3.35Å; L502-N525 VanDerWaalsContact N-OD1 3.14Å; L502-M526 CarbonylContact O-C 3.59Å; L502-M526 VanDerWaalsContact O-CA 3.3Å; L502-M526 WeakPolarHBondContact O-CA 3.41Å; L502-M526 PolarHBondContact O-N 3.05Å; L502-M526 VanDerWaalsContact O-N 3.08Å; L502-L527 HydrophobicContact CB-CD2 4.11Å; L502-L527 PolarHBondContact O-N 3.37Å
503	S	94.8	Very high	85.2	Confident	27 Å²	27	62.6 Å²	62.6	19%	0.189	31%	0.312	C	S	.	.			trans	-136.5	-14.9	-170.3	47.9	0	0	0	0	113	E478 R501 L529 A530	E478-S503 PolarHBondContact O-N 2.98Å; R501-S503 WeakPolarHBondContact O-CB 3.32Å; R501-S503 PolarHBondContact O-N 3.29Å; R501-S503 PolarHBondContact O-OG 3.19Å; S503-L529 CarbonylContact O-C 3.13Å; S503-L529 WeakPolarHBondContact O-CB 3.36Å; S503-A530 WeakPolarHBondContact O-CA 3.24Å; S503-A530 PolarHBondContact O-N 3.31Å; S503-A530 VanDerWaalsContact O-N 3.13Å
504	S	93.9	Very high	83.5	Confident	44 Å²	44	63.7 Å²	63.7	31%	0.308	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-121.2	147.9	-178.9	65.8	0	0	0	0	111.5	E478 N479 L480	E478-S504 PolarHBondContact O-N 2.89Å; E478-S504 PolarHBondContact O-OG 2.79Å; E478-S504 VanDerWaalsContact O-OG 3.05Å; N479-S504 WeakPolarHBondContact CA-O 3.18Å; N479-S504 PolarHBondContact ND2-OG 2.92Å; L480-S504 PolarHBondContact N-O 2.87Å
505	C	89.4	Confident	82.2	Confident	26 Å²	26	62.3 Å²	62.3	18%	0.176	32%	0.315	C	S	.	.			trans	-115.4	121.3	173.2	166.2	0	0	0	0	108.5	L480 S535 C536	L480-C505 HydrophobicContact CD1-CB 4.39Å; C505-S535 WeakPolarHBondContact SG-CB 3.46Å; C505-C536 HydrophobicContact CB-CB 3.81Å; C505-C536 WeakPolarHBondContact CB-SG 3.44Å; C505-C536 WeakPolarHBondContact SG-CB 3.44Å; C505-C536 PolarHBondContact SG-N 3.22Å; C505-C536 CovalentContact SG-SG 2.01Å; C505-C536 PolarHBondContact SG-SG 3.37Å
506	R	85.6	Confident	81.8	Confident	186 Å²	186	63.7 Å²	63.7	70%	0.702	33%	0.325	S	S	*	.			trans	-109.5	117.8	158.5	-75.6	172.9	-174.3	174.1	3.8	106.5	N479 V508	N479-R506 WeakPolarHBondContact ND2-CG 3.43Å; N479-R506 PolarHBondContact OD1-N 2.83Å; R506-V508 PolarHBondContact O-N 3.32Å; R506-V508 VanDerWaalsContact O-N 3.13Å
507	E	66.8	Low	81.6	Confident	148 Å²	148	63.5 Å²	63.5	69%	0.692	32%	0.324	S	S	*	.			trans	-60.9	119.6	-176.3	-70	-166.8	156.2	0	0	110.8
508	V	69.6	Low	81.5	Confident	52 Å²	52	66.4 Å²	66.4	32%	0.315	34%	0.338	S	S	.	.			trans	-122	147.4	170.5	-179.1	0	0	0	0	106.2	R506 A510	R506-V508 PolarHBondContact O-N 3.32Å; R506-V508 VanDerWaalsContact O-N 3.13Å; V508-A510 PolarHBondContact O-N 3.17Å; V508-A510 VanDerWaalsContact O-N 3.1Å
509	Q	68.8	Low	81.5	Confident	161 Å²	161	66.3 Å²	66.3	75%	0.752	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-52.5	121.4	177.9	-71.2	174.9	-15.9	0	0	110.8	R488	R488-Q509 PolarHBondContact NH2-O 3.5Å
510	A	63.8	Low	81.5	Confident	21 Å²	21	62.6 Å²	62.6	17%	0.174	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-60	151.1	176	0	0	0	0	0	111.3	Y484 V508 S512 N538	Y484-A510 HydrophobicContact CD1-CB 4.49Å; Y484-A510 HydrophobicContact CE1-CB 3.98Å; V508-A510 PolarHBondContact O-N 3.17Å; V508-A510 VanDerWaalsContact O-N 3.1Å; A510-S512 PolarHBondContact O-N 2.6Å; A510-N538 WeakPolarHBondContact CB-ND2 3.18Å
511	P	64.6	Low	81.5	Confident	14 Å²	14	62.6 Å²	62.6	9%	0.091	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-57.1	131	176.3	23.9	-32.7	0	0	0	110.5	L487 L515	L487-P511 HydrophobicContact CB-CG 4.37Å; P511-L515 HydrophobicContact CB-CD1 3.69Å; P511-L515 HydrophobicContact CG-CD1 3.83Å
512	S	58.2	Low	81.6	Confident	120 Å²	120	57.3 Å²	57.3	84%	0.839	30%	0.298	S	S	*	.			trans	-95.6	-3.3	-174.4	-47.2	0	0	0	0	113.8	A510	A510-S512 PolarHBondContact O-N 2.6Å
513	E	62.8	Low	81.7	Confident	159 Å²	159	57.5 Å²	57.5	74%	0.743	30%	0.3	S	S	*	.	S	Bend	trans	-134.2	158.9	-171.4	-68.2	-173.3	172.6	0	0	113.5	L515	E513-L515 WeakPolarHBondContact O-CG 3.1Å; E513-L515 PolarHBondContact O-N 3.48Å; E513-L515 VanDerWaalsContact O-N 3.14Å
514	N	59	Low	81.8	Confident	99 Å²	99	59.9 Å²	59.9	53%	0.529	31%	0.308	S	S	.	.			trans	-65.4	101.4	-174.7	-173.3	-7	0	0	0	112.4	S544	N514-S544 PolarHBondContact OD1-OG 2.94Å
515	L	70.4	Confident	82	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	29%	0.294	C	S	.	.			trans	-81.3	148.4	-174.9	-66.6	163.2	0	0	0	112.5	L487 P511 E513 L517 L543	L487-L515 HydrophobicContact CB-CD1 4.24Å; L487-L515 WeakPolarHBondContact O-CD1 3.25Å; L487-L515 WeakPolarHBondContact O-CD2 3.31Å; L487-L515 WeakPolarHBondContact O-CG 3.3Å; P511-L515 HydrophobicContact CB-CD1 3.69Å; P511-L515 HydrophobicContact CG-CD1 3.83Å; E513-L515 WeakPolarHBondContact O-CG 3.1Å; E513-L515 PolarHBondContact O-N 3.48Å; E513-L515 VanDerWaalsContact O-N 3.14Å; L515-L517 PolarHBondContact O-N 3.21Å; L515-L543 HydrophobicContact CB-CD2 3.97Å; L515-L543 HydrophobicContact CD1-CD2 3.35Å; L515-L543 HydrophobicContact CG-CD2 4.27Å
516	S	88	Confident	82.3	Confident	29 Å²	29	59.5 Å²	59.5	20%	0.203	30%	0.3	C	S	.	.			trans	-74.5	3	178.2	-56.5	0	0	0	0	114.1	P490 L492 E518	P490-S516 VanDerWaalsContact O-CB 3.28Å; P490-S516 WeakPolarHBondContact O-CB 3.23Å; P490-S516 PolarHBondContact O-OG 3.43Å; L492-S516 CarbonylContact O-C 3.14Å; S516-E518 PolarHBondContact O-N 3.49Å
517	L	93.6	Very high	82.8	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.267	C	S	.	.			trans	-69	123.8	-170.5	-168	74	0	0	0	111.1	L487 L492 L495 L515 L520 L543 R545 L546	L487-L517 HydrophobicContact CD2-CD2 3.57Å; L492-L517 HydrophobicContact CD2-CD1 4.04Å; L492-L517 HydrophobicContact CG-CD1 3.79Å; L492-L517 WeakPolarHBondContact O-CA 3.29Å; L492-L517 PolarHBondContact O-N 3.37Å; L495-L517 HydrophobicContact CB-CD1 3.9Å; L515-L517 PolarHBondContact O-N 3.21Å; L517-L520 HydrophobicContact CD2-CB 4.1Å; L517-L520 HydrophobicContact CD2-CD1 4.5Å; L517-L520 HydrophobicContact CD2-CD2 4.31Å; L517-L543 HydrophobicContact CB-CD2 4.35Å; L517-L543 HydrophobicContact CD2-CD1 4.26Å; L517-L543 HydrophobicContact CD2-CD2 4.11Å; L517-R545 CarbonylContact O-C 3.08Å; L517-R545 VanDerWaalsContact O-C 3.23Å; L517-L546 HydrophobicContact CD2-CD1 4Å; L517-L546 HydrophobicContact CG-CD1 4.02Å; L517-L546 VanDerWaalsContact O-CA 3.25Å; L517-L546 WeakPolarHBondContact O-CA 2.95Å; L517-L546 PolarHBondContact O-N 3.44Å; L517-L546 VanDerWaalsContact O-N 3.14Å
518	E	96	Very high	84.2	Confident	64 Å²	64	44.5 Å²	44.5	30%	0.299	24%	0.238	S	C	.	.			trans	-105	-35.9	-179.1	-62.3	-174.7	179.7	0	0	111.9	Q493 S516 Q547 K548	Q493-E518 PolarHBondContact O-N 3.45Å; S516-E518 PolarHBondContact O-N 3.49Å; E518-Q547 PolarHBondContact O-N 2.82Å; E518-K548 PolarHBondContact O-N 3.41Å
519	Q	97.7	Very high	85.4	Confident	26 Å²	26	46.5 Å²	46.5	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.8	-176.7	-54	-171.4	23.7	0	0	111.8	Q493 F494 L495 F521 K548	Q493-Q519 PolarHBondContact O-N 3.24Å; Q493-Q519 VanDerWaalsContact O-N 3.13Å; F494-Q519 HydrophobicContact CD1-CB 3.97Å; F494-Q519 HydrophobicContact CD1-CG 4.1Å; F494-Q519 HydrophobicContact CE1-CB 4.31Å; F494-Q519 VanDerWaalsContact CE1-CD 3.49Å; F494-Q519 HydrophobicContact CE1-CG 3.91Å; L495-Q519 PolarHBondContact N-O 3.24Å; Q519-F521 HydrophobicContact CB-CE2 3.72Å; Q519-F521 HydrophobicContact CB-CZ 4.38Å; Q519-K548 HydrophobicContact CB-CB 4.47Å; Q519-K548 HydrophobicContact CG-CB 4.14Å; Q519-K548 HydrophobicContact CG-CD 4.21Å; Q519-K548 HydrophobicContact CG-CG 4.29Å
520	L	97.8	Very high	86.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.2	179.5	-179	55.4	0	0	0	110.3	L483 L495 L517 L522 F540 L543 L546 K548 L549 Y550	L483-L520 HydrophobicContact CD1-CD1 4.34Å; L495-L520 HydrophobicContact CB-CD1 3.96Å; L495-L520 HydrophobicContact CD2-CD1 3.81Å; L495-L520 HydrophobicContact CG-CD1 3.89Å; L495-L520 WeakPolarHBondContact O-CA 3.36Å; L517-L520 HydrophobicContact CD2-CB 4.1Å; L517-L520 HydrophobicContact CD2-CD1 4.5Å; L517-L520 HydrophobicContact CD2-CD2 4.31Å; L520-L522 HydrophobicContact CD1-CD1 4.39Å; L520-L522 HydrophobicContact CD1-CG 4.13Å; L520-L522 HydrophobicContact CD2-CD1 3.89Å; L520-L522 HydrophobicContact CD2-CG 4.48Å; L520-L522 HydrophobicContact CG-CD1 3.99Å; L520-L522 HydrophobicContact CG-CG 4.07Å; L520-F540 HydrophobicContact CD2-CD1 3.97Å; L520-F540 HydrophobicContact CD2-CE1 3.63Å; L520-L543 HydrophobicContact CD2-CD1 4.39Å; L520-L546 HydrophobicContact CB-CD1 3.74Å; L520-L546 HydrophobicContact CB-CD2 4.43Å; L520-K548 PolarHBondContact N-O 3.42Å; L520-L549 HydrophobicContact CB-CD1 4.02Å; L520-L549 HydrophobicContact CD2-CD1 3.99Å; L520-L549 HydrophobicContact CG-CD1 3.99Å; L520-L549 WeakPolarHBondContact O-CA 3.4Å; L520-Y550 PolarHBondContact O-N 3.04Å
521	F	98.5	Very high	87.9	Confident	9 Å²	9	38 Å²	38	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.2	178.1	-53.4	-108.1	0	0	0	109.8	M22 L495 I496 L497 N498 Q519 Y550	M22-F521 HydrophobicContact CE-CZ 4.46Å; M22-F521 HydrophobicContact CG-CE1 4.4Å; M22-F521 HydrophobicContact CG-CZ 4.21Å; M22-F521 HydrophobicContact SD-CD1 4.41Å; M22-F521 HydrophobicContact SD-CE1 3.73Å; M22-F521 HydrophobicContact SD-CE2 4.29Å; M22-F521 HydrophobicContact SD-CZ 3.67Å; L495-F521 PolarHBondContact O-N 3.2Å; I496-F521 HydrophobicContact CB-CB 4.44Å; I496-F521 HydrophobicContact CB-CD2 4.45Å; I496-F521 HydrophobicContact CG1-CD2 3.71Å; I496-F521 HydrophobicContact CG1-CE2 4.21Å; I496-F521 HydrophobicContact CG1-CG 4.32Å; I496-F521 HydrophobicContact CG2-CB 4.03Å; I496-F521 HydrophobicContact CG2-CG 4.41Å; L497-F521 WeakPolarHBondContact CA-O 3.45Å; L497-F521 WeakPolarHBondContact CB-O 3.49Å; L497-F521 PolarHBondContact N-O 3.04Å; N498-F521 WeakPolarHBondContact OD1-CB 3.12Å; N498-F521 PolarHBondContact OD1-O 3.44Å; Q519-F521 HydrophobicContact CB-CE2 3.72Å; Q519-F521 HydrophobicContact CB-CZ 4.38Å; F521-Y550 AromaticContact CD1-CD2 3.27Å; F521-Y550 HydrophobicContact CD1-CD2 3.27Å; F521-Y550 AromaticContact CD1-CE2 3.72Å; F521-Y550 HydrophobicContact CD1-CE2 3.72Å; F521-Y550 AromaticContact CD1-CG 3.74Å; F521-Y550 HydrophobicContact CD1-CG 3.74Å; F521-Y550 AromaticContact CE1-CD2 3.34Å; F521-Y550 HydrophobicContact CE1-CD2 3.34Å; F521-Y550 AromaticContact CE1-CE2 3.22Å; F521-Y550 HydrophobicContact CE1-CE2 3.22Å; F521-Y550 HydrophobicContact CE1-CG 4.08Å; F521-Y550 AromaticContact CE1-CZ 3.9Å; F521-Y550 AromaticContact CG-CD2 3.93Å; F521-Y550 HydrophobicContact CG-CD2 3.93Å; F521-Y550 HydrophobicContact CZ-CD2 4.04Å; F521-Y550 AromaticContact CZ-CE2 3.72Å; F521-Y550 HydrophobicContact CZ-CE2 3.72Å
522	L	97.9	Very high	89.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.226	C	C	.	.			trans	-125.7	23.4	-179.4	-71.6	167.4	0	0	0	110.9	L483 L497 N498 L502 L520 N525 L527 F540 Y550 L551 N554	L483-L522 HydrophobicContact CD2-CD1 4.08Å; L483-L522 HydrophobicContact CD2-CD2 4.01Å; L497-L522 HydrophobicContact CB-CD2 3.92Å; L497-L522 HydrophobicContact CD1-CD2 3.86Å; N498-L522 PolarHBondContact OD1-N 2.79Å; L502-L522 HydrophobicContact CD1-CD2 3.9Å; L520-L522 HydrophobicContact CD1-CD1 4.39Å; L520-L522 HydrophobicContact CD1-CG 4.13Å; L520-L522 HydrophobicContact CD2-CD1 3.89Å; L520-L522 HydrophobicContact CD2-CG 4.48Å; L520-L522 HydrophobicContact CG-CD1 3.99Å; L520-L522 HydrophobicContact CG-CG 4.07Å; L522-N525 PolarHBondContact O-ND2 3.2Å; L522-L527 HydrophobicContact CB-CD1 4.35Å; L522-F540 HydrophobicContact CD1-CE1 3.7Å; L522-F540 HydrophobicContact CD1-CZ 3.8Å; L522-Y550 CarbonylContact C-O 3.14Å; L522-Y550 WeakPolarHBondContact CA-O 3.24Å; L522-Y550 PolarHBondContact N-O 3.4Å; L522-L551 HydrophobicContact CB-CD2 3.92Å; L522-L551 HydrophobicContact CD1-CD2 3.95Å; L522-N554 PolarHBondContact O-ND2 3.12Å
523	S	97.6	Very high	90.8	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.042	21%	0.211	C	C	.	.			trans	-60.3	149.2	-177.1	-47.8	0	0	0	0	111.8	N498 Q499 N525 N552	N498-S523 CarbonylContact C-O 3.46Å; N498-S523 WeakPolarHBondContact CA-O 3.35Å; N498-S523 WeakPolarHBondContact OD1-CB 3.29Å; N498-S523 PolarHBondContact OD1-N 3.46Å; N498-S523 PolarHBondContact OD1-OG 2.89Å; Q499-S523 PolarHBondContact N-O 3.19Å; S523-N525 PolarHBondContact O-N 2.74Å; S523-N525 PolarHBondContact O-ND2 3.23Å; S523-N552 CarbonylContact C-O 3.37Å; S523-N552 VanDerWaalsContact CA-O 3.26Å; S523-N552 WeakPolarHBondContact CA-O 3.25Å; S523-N552 WeakPolarHBondContact CB-ND2 3.49Å; S523-N552 WeakPolarHBondContact CB-OD1 3.11Å; S523-N552 PolarHBondContact OG-OD1 3.22Å
524	E	97.6	Very high	92	Very high	76 Å²	76	36 Å²	36	36%	0.355	20%	0.196	S	C	.	.	S	Bend	trans	57.6	48.1	171.4	-55	-178	-110.5	0	0	112.9	Q499 N552 N553	Q499-E524 VanDerWaalsContact CA-O 3.23Å; Q499-E524 WeakPolarHBondContact CA-O 3.3Å; Q499-E524 HydrophobicContact CB-CB 4.37Å; Q499-E524 HydrophobicContact CG-CB 3.59Å; Q499-E524 HydrophobicContact CG-CG 4.06Å; Q499-E524 WeakPolarHBondContact CG-OE1 3.26Å; Q499-E524 WeakPolarHBondContact CG-OE2 3.49Å; Q499-E524 PolarHBondContact N-O 3.06Å; Q499-E524 PolarHBondContact NE2-OE1 2.83Å; Q499-E524 PolarHBondContact NE2-OE2 3.05Å; E524-N552 PolarHBondContact N-O 3.28Å; E524-N553 WeakPolarHBondContact CA-O 3.43Å; E524-N553 HydrophobicContact CG-CB 3.88Å; E524-N553 PolarHBondContact N-O 3.31Å
525	N	98.1	Very high	93.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-116.3	-167.5	172.4	-84.8	-84.1	0	0	0	109.8	L497 N500 R501 L502 L522 S523 L527 N554	L497-N525 PolarHBondContact O-ND2 3.33Å; N500-N525 WeakPolarHBondContact CA-OD1 3.45Å; N500-N525 WeakPolarHBondContact CB-OD1 3.47Å; N500-N525 PolarHBondContact O-OD1 2.85Å; R501-N525 PolarHBondContact N-OD1 2.91Å; L502-N525 HydrophobicContact CB-CB 4.23Å; L502-N525 WeakPolarHBondContact CB-OD1 3.48Å; L502-N525 WeakPolarHBondContact CG-OD1 3.32Å; L502-N525 PolarHBondContact N-OD1 3.35Å; L502-N525 VanDerWaalsContact N-OD1 3.14Å; L522-N525 PolarHBondContact O-ND2 3.2Å; S523-N525 PolarHBondContact O-N 2.74Å; S523-N525 PolarHBondContact O-ND2 3.23Å; N525-L527 HydrophobicContact CB-CG 4.29Å; N525-N554 WeakPolarHBondContact CA-OD1 3.4Å; N525-N554 WeakPolarHBondContact CB-OD1 3.32Å; N525-N554 PolarHBondContact N-OD1 3.25Å; N525-N554 PolarHBondContact O-OD1 3.17Å
526	M	96.4	Very high	94.2	Very high	62 Å²	62	32.4 Å²	32.4	31%	0.305	18%	0.18	S	C	.	.			trans	-121.6	38.3	-179.1	-68.4	-175.9	-75.5	0	0	111.3	R501 L502 Q528 L529 Y555	R501-M526 HydrophobicContact CB-CE 3.57Å; R501-M526 HydrophobicContact CG-CE 4.09Å; R501-M526 WeakPolarHBondContact O-CE 3.39Å; L502-M526 CarbonylContact O-C 3.59Å; L502-M526 VanDerWaalsContact O-CA 3.3Å; L502-M526 WeakPolarHBondContact O-CA 3.41Å; L502-M526 PolarHBondContact O-N 3.05Å; L502-M526 VanDerWaalsContact O-N 3.08Å; M526-Q528 PolarHBondContact O-N 3.28Å; M526-Q528 VanDerWaalsContact O-N 3.08Å; M526-L529 HydrophobicContact CB-CD1 4.28Å; M526-L529 PolarHBondContact O-N 3.02Å; M526-L529 HydrophobicContact SD-CD1 4.4Å; M526-Y555 HydrophobicContact CG-CD2 4.43Å; M526-Y555 HydrophobicContact CG-CE2 4.32Å
527	L	96.1	Very high	94.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-27	-170.7	-68.9	177.1	0	0	0	113.8	L480 L502 L522 N525 L529 A530 W531 L551 N554 L556	L480-L527 HydrophobicContact CD2-CD2 3.7Å; L502-L527 HydrophobicContact CB-CD2 4.11Å; L502-L527 PolarHBondContact O-N 3.37Å; L522-L527 HydrophobicContact CB-CD1 4.35Å; N525-L527 HydrophobicContact CB-CG 4.29Å; L527-L529 VanDerWaalsContact C-N 3.27Å; L527-L529 PolarHBondContact O-N 2.87Å; L527-A530 PolarHBondContact O-N 3.2Å; L527-A530 VanDerWaalsContact O-N 3.07Å; L527-W531 HydrophobicContact CD1-CH2 4.26Å; L527-W531 HydrophobicContact CD1-CZ2 4.26Å; L527-W531 PolarHBondContact O-N 3Å; L527-L551 HydrophobicContact CD1-CD2 3.59Å; L527-N554 HydrophobicContact CB-CB 4.21Å; L527-N554 WeakPolarHBondContact CB-OD1 3.23Å; L527-N554 HydrophobicContact CD1-CB 4.48Å; L527-N554 WeakPolarHBondContact CD1-OD1 3.44Å; L527-N554 WeakPolarHBondContact CG-OD1 3.27Å; L527-N554 PolarHBondContact N-OD1 2.77Å; L527-L556 HydrophobicContact CB-CD2 4.09Å
528	Q	95.7	Very high	94	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-51.7	-45.9	173.4	177.1	56.3	36.8	0	0	112.6	M526 A530 W531 E532 N554 Y555 L556 N557	M526-Q528 PolarHBondContact O-N 3.28Å; M526-Q528 VanDerWaalsContact O-N 3.08Å; Q528-A530 VanDerWaalsContact C-N 3.27Å; Q528-A530 PolarHBondContact O-N 2.93Å; Q528-W531 PolarHBondContact O-N 3.37Å; Q528-E532 WeakPolarHBondContact O-CB 3.38Å; Q528-E532 PolarHBondContact O-N 3.14Å; Q528-N554 PolarHBondContact N-O 3.19Å; Q528-Y555 WeakPolarHBondContact CB-O 3.38Å; Q528-Y555 WeakPolarHBondContact CG-O 3.47Å; Q528-L556 HydrophobicContact CB-CD2 4.32Å; Q528-L556 VanDerWaalsContact OE1-CA 3.32Å; Q528-N557 VanDerWaalsContact NE2-CG 3.31Å; Q528-N557 PolarHBondContact NE2-ND2 2.73Å; Q528-N557 PolarHBondContact NE2-OD1 3.25Å; Q528-N557 PolarHBondContact OE1-OD1 3.3Å
529	L	94.8	Very high	93.6	Very high	95 Å²	95	35.2 Å²	35.2	50%	0.497	19%	0.188	S	C	.	.	H	α-helix	trans	-64.4	-34.8	-179.4	-65.8	176.7	0	0	0	111.7	S503 M526 L527	S503-L529 CarbonylContact O-C 3.13Å; S503-L529 WeakPolarHBondContact O-CB 3.36Å; M526-L529 HydrophobicContact CB-CD1 4.28Å; M526-L529 PolarHBondContact O-N 3.02Å; M526-L529 HydrophobicContact SD-CD1 4.4Å; L527-L529 VanDerWaalsContact C-N 3.27Å; L527-L529 PolarHBondContact O-N 2.87Å
530	A	93.3	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.7	-44.8	178.7	0	0	0	0	0	111.2	L480 S503 L527 Q528 T533	L480-A530 HydrophobicContact CD1-CB 3.74Å; L480-A530 HydrophobicContact CG-CB 4.41Å; S503-A530 WeakPolarHBondContact O-CA 3.24Å; S503-A530 PolarHBondContact O-N 3.31Å; S503-A530 VanDerWaalsContact O-N 3.13Å; L527-A530 PolarHBondContact O-N 3.2Å; L527-A530 VanDerWaalsContact O-N 3.07Å; Q528-A530 VanDerWaalsContact C-N 3.27Å; Q528-A530 PolarHBondContact O-N 2.93Å; A530-T533 PolarHBondContact O-N 3Å; A530-T533 PolarHBondContact O-OG1 2.66Å
531	W	92.9	Very high	92.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-25	-174.9	-70.8	-17.8	0	0	0	114.5	L527 Q528 T533 G534 W537 F540 L551 L556 P560 V563	L527-W531 HydrophobicContact CD1-CH2 4.26Å; L527-W531 HydrophobicContact CD1-CZ2 4.26Å; L527-W531 PolarHBondContact O-N 3Å; Q528-W531 PolarHBondContact O-N 3.37Å; W531-T533 PolarHBondContact O-N 3.28Å; W531-G534 PolarHBondContact O-N 3.2Å; W531-G534 VanDerWaalsContact O-N 3.13Å; W531-W537 PolarHBondContact O-NE1 2.82Å; W531-F540 HydrophobicContact CH2-CE2 4.24Å; W531-F540 AromaticContact CZ2-CE2 3.93Å; W531-F540 HydrophobicContact CZ2-CE2 3.93Å; W531-F540 HydrophobicContact CZ2-CZ 4.29Å; W531-L551 HydrophobicContact CH2-CD1 4.25Å; W531-L551 HydrophobicContact CH2-CD2 4.33Å; W531-L556 HydrophobicContact CE3-CD2 3.45Å; W531-L556 VanDerWaalsContact CE3-CD2 3.45Å; W531-L556 HydrophobicContact CH2-CD1 4.5Å; W531-L556 HydrophobicContact CH2-CD2 4.47Å; W531-L556 HydrophobicContact CZ3-CD1 3.77Å; W531-L556 HydrophobicContact CZ3-CD2 3.41Å; W531-L556 VanDerWaalsContact CZ3-CD2 3.41Å; W531-L556 HydrophobicContact CZ3-CG 4.23Å; W531-P560 HydrophobicContact CB-CG 4.05Å; W531-P560 HydrophobicContact CD2-CG 3.88Å; W531-P560 HydrophobicContact CE3-CG 3.93Å; W531-P560 HydrophobicContact CG-CG 3.95Å; W531-V563 HydrophobicContact CH2-CG2 4.46Å; W531-V563 HydrophobicContact CZ2-CG2 4.23Å
532	E	92.9	Very high	92	Very high	127 Å²	127	37.7 Å²	37.7	59%	0.593	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.9	173.7	-172.5	170.1	-155.4	0	0	112.7	Q528 G534	Q528-E532 WeakPolarHBondContact O-CB 3.38Å; Q528-E532 PolarHBondContact O-N 3.14Å; E532-G534 PolarHBondContact O-N 3.1Å
533	T	89.4	Confident	91.6	Very high	84 Å²	84	37.7 Å²	37.7	52%	0.515	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.1	175.2	69.7	0	0	0	0	114.2	A530 W531 S535	A530-T533 PolarHBondContact O-N 3Å; A530-T533 PolarHBondContact O-OG1 2.66Å; W531-T533 PolarHBondContact O-N 3.28Å; T533-S535 PolarHBondContact O-N 3.24Å; T533-S535 PolarHBondContact OG1-N 2.84Å
534	G	88.3	Confident	91.3	Very high	42 Å²	42	38.8 Å²	38.8	43%	0.433	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	7.9	-174.6	0	0	0	0	0	114.6	W531 E532	W531-G534 PolarHBondContact O-N 3.2Å; W531-G534 VanDerWaalsContact O-N 3.13Å; E532-G534 PolarHBondContact O-N 3.1Å
535	S	86.9	Confident	91	Very high	34 Å²	34	41.3 Å²	41.3	24%	0.238	22%	0.223	C	C	.	.			trans	-112.7	165.9	-179	-53.9	0	0	0	0	111.7	C505 T533 W537	C505-S535 WeakPolarHBondContact SG-CB 3.46Å; T533-S535 PolarHBondContact O-N 3.24Å; T533-S535 PolarHBondContact OG1-N 2.84Å; S535-W537 PolarHBondContact O-N 2.99Å
536	C	87.9	Confident	90.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.223	C	C	.	.			trans	59.4	19.4	178.3	-67.6	0	0	0	0	116.6	L480 Y484 C505 N538 V539	L480-C536 HydrophobicContact CD1-CB 3.83Å; Y484-C536 HydrophobicContact CE2-CB 4.2Å; Y484-C536 WeakPolarHBondContact OH-CA 3.43Å; Y484-C536 PolarHBondContact OH-O 2.83Å; C505-C536 HydrophobicContact CB-CB 3.81Å; C505-C536 WeakPolarHBondContact CB-SG 3.44Å; C505-C536 WeakPolarHBondContact SG-CB 3.44Å; C505-C536 PolarHBondContact SG-N 3.22Å; C505-C536 CovalentContact SG-SG 2.01Å; C505-C536 PolarHBondContact SG-SG 3.37Å; C536-N538 PolarHBondContact O-N 2.79Å; C536-V539 PolarHBondContact O-N 3.09Å
537	W	89.7	Confident	90.9	Very high	90 Å²	90	42.1 Å²	42.1	34%	0.341	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	176.3	-63.7	-6.1	0	0	0	113.3	W531 S535 V539 P560	W531-W537 PolarHBondContact O-NE1 2.82Å; S535-W537 PolarHBondContact O-N 2.99Å; W537-V539 VanDerWaalsContact C-N 3.32Å; W537-V539 PolarHBondContact O-N 2.75Å; W537-P560 HydrophobicContact CB-CB 4.15Å; W537-P560 HydrophobicContact CD2-CB 3.55Å; W537-P560 HydrophobicContact CD2-CG 4.4Å; W537-P560 HydrophobicContact CE3-CB 4.11Å; W537-P560 HydrophobicContact CG-CB 3.56Å; W537-P560 HydrophobicContact CG-CG 4.09Å; W537-P560 HydrophobicContact CZ2-CB 4.35Å
538	N	88.1	Confident	91	Very high	63 Å²	63	44.2 Å²	44.2	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.6	178.7	62.6	-24.8	0	0	0	113.9	Y484 A510 C536 F540 N541	Y484-N538 PolarHBondContact OH-OD1 2.87Å; Y484-N538 VanDerWaalsContact OH-OD1 3.06Å; A510-N538 WeakPolarHBondContact CB-ND2 3.18Å; C536-N538 PolarHBondContact O-N 2.79Å; N538-F540 PolarHBondContact O-N 3.02Å; N538-F540 VanDerWaalsContact O-N 3.16Å; N538-N541 HydrophobicContact CB-CB 4.41Å; N538-N541 WeakPolarHBondContact CB-ND2 3.4Å; N538-N541 WeakPolarHBondContact O-CB 3.38Å; N538-N541 PolarHBondContact O-N 3.45Å
539	V	87.9	Confident	91.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.3	-174.8	67.8	0	0	0	0	113.6	L483 Y484 L487 C536 W537	L483-V539 HydrophobicContact CD2-CG2 3.61Å; L483-V539 HydrophobicContact CG-CG2 4.08Å; Y484-V539 HydrophobicContact CE1-CB 4.3Å; Y484-V539 HydrophobicContact CE1-CG2 4.21Å; Y484-V539 HydrophobicContact CE2-CB 4.33Å; Y484-V539 HydrophobicContact CE2-CG2 4.01Å; Y484-V539 WeakPolarHBondContact OH-CA 3.4Å; Y484-V539 WeakPolarHBondContact OH-CB 3.17Å; Y484-V539 PolarHBondContact OH-N 2.96Å; L487-V539 HydrophobicContact CD1-CG2 4.28Å; L487-V539 WeakPolarHBondContact CD1-O 3.37Å; C536-V539 PolarHBondContact O-N 3.09Å; W537-V539 VanDerWaalsContact C-N 3.32Å; W537-V539 PolarHBondContact O-N 2.75Å
540	F	90.6	Very high	91.3	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0	178.9	-53.9	-52	0	0	0	114	L520 L522 W531 N538 G542 L543 L549 L551 V563 F564 L567	L520-F540 HydrophobicContact CD2-CD1 3.97Å; L520-F540 HydrophobicContact CD2-CE1 3.63Å; L522-F540 HydrophobicContact CD1-CE1 3.7Å; L522-F540 HydrophobicContact CD1-CZ 3.8Å; W531-F540 HydrophobicContact CH2-CE2 4.24Å; W531-F540 AromaticContact CZ2-CE2 3.93Å; W531-F540 HydrophobicContact CZ2-CE2 3.93Å; W531-F540 HydrophobicContact CZ2-CZ 4.29Å; N538-F540 PolarHBondContact O-N 3.02Å; N538-F540 VanDerWaalsContact O-N 3.16Å; F540-G542 PolarHBondContact O-N 2.98Å; F540-L543 HydrophobicContact CB-CD1 4.15Å; F540-L543 HydrophobicContact CD1-CD1 3.95Å; F540-L543 WeakPolarHBondContact O-CB 3.46Å; F540-L543 WeakPolarHBondContact O-CG 3.45Å; F540-L543 PolarHBondContact O-N 2.91Å; F540-L549 HydrophobicContact CE1-CD1 4.23Å; F540-L549 HydrophobicContact CE2-CD2 4.36Å; F540-L549 HydrophobicContact CZ-CD1 4.36Å; F540-L549 HydrophobicContact CZ-CD2 4.43Å; F540-L551 HydrophobicContact CE2-CD1 4.39Å; F540-L551 HydrophobicContact CZ-CD2 4.09Å; F540-V563 HydrophobicContact CD2-CG2 3.95Å; F540-V563 HydrophobicContact CE2-CG2 4.11Å; F540-F564 HydrophobicContact CD2-CD1 4.11Å; F540-F564 HydrophobicContact CD2-CE1 4.17Å; F540-F564 HydrophobicContact CE2-CD1 4.49Å; F540-F564 HydrophobicContact CE2-CE1 4.09Å; F540-L567 HydrophobicContact CB-CD1 4.28Å; F540-L567 HydrophobicContact CB-CD2 4.15Å; F540-L567 HydrophobicContact CB-CG 4.42Å
541	N	86.9	Confident	91.5	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	137	-179.9	-72.9	10.7	0	0	0	110.3	N538 L543	N538-N541 HydrophobicContact CB-CB 4.41Å; N538-N541 WeakPolarHBondContact CB-ND2 3.4Å; N538-N541 WeakPolarHBondContact O-CB 3.38Å; N538-N541 PolarHBondContact O-N 3.45Å; N541-L543 VanDerWaalsContact C-N 3.31Å; N541-L543 PolarHBondContact O-N 3.09Å
542	G	82	Confident	91.8	Very high	30 Å²	30	42 Å²	42	31%	0.309	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-6	179.5	0	0	0	0	0	115.3	F540 S544	F540-G542 PolarHBondContact O-N 2.98Å; G542-S544 PolarHBondContact O-N 3.16Å
543	L	90.6	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.			trans	-78.7	54.2	176.3	-57.8	-179.7	0	0	0	112.6	L487 L515 L517 L520 F540 N541 R545 L546 L567	L487-L543 HydrophobicContact CD1-CD1 4.44Å; L487-L543 HydrophobicContact CD2-CD1 4.31Å; L487-L543 HydrophobicContact CD2-CD2 4.11Å; L515-L543 HydrophobicContact CB-CD2 3.97Å; L515-L543 HydrophobicContact CD1-CD2 3.35Å; L515-L543 HydrophobicContact CG-CD2 4.27Å; L517-L543 HydrophobicContact CB-CD2 4.35Å; L517-L543 HydrophobicContact CD2-CD1 4.26Å; L517-L543 HydrophobicContact CD2-CD2 4.11Å; L520-L543 HydrophobicContact CD2-CD1 4.39Å; F540-L543 HydrophobicContact CB-CD1 4.15Å; F540-L543 HydrophobicContact CD1-CD1 3.95Å; F540-L543 WeakPolarHBondContact O-CB 3.46Å; F540-L543 WeakPolarHBondContact O-CG 3.45Å; F540-L543 PolarHBondContact O-N 2.91Å; N541-L543 VanDerWaalsContact C-N 3.31Å; N541-L543 PolarHBondContact O-N 3.09Å; L543-R545 PolarHBondContact O-N 3.5Å; L543-L546 HydrophobicContact CB-CB 4.1Å; L543-L546 HydrophobicContact CD1-CD2 4.27Å; L543-L546 VanDerWaalsContact O-CB 3.31Å; L543-L546 WeakPolarHBondContact O-CB 3.36Å; L543-L546 PolarHBondContact O-N 3.01Å; L543-L546 VanDerWaalsContact O-N 3.12Å; L543-L567 HydrophobicContact CB-CD2 3.65Å; L543-L567 WeakPolarHBondContact O-CD2 3.17Å
544	S	90.5	Very high	92.4	Very high	30 Å²	30	34.5 Å²	34.5	21%	0.21	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.2	-171	74.9	0	0	0	0	114.7	N514 G542 V568 S569	N514-S544 PolarHBondContact OD1-OG 2.94Å; G542-S544 PolarHBondContact O-N 3.16Å; S544-V568 WeakPolarHBondContact O-CG2 3.34Å; S544-S569 WeakPolarHBondContact O-CB 3.41Å; S544-S569 PolarHBondContact O-N 3.41Å; S544-S569 PolarHBondContact O-OG 3.49Å
545	R	93.1	Very high	92.8	Very high	128 Å²	128	37.8 Å²	37.8	48%	0.483	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.7	177.9	-65.5	-174.5	176.6	-171.6	0.5	114.1	L517 L543 Q547	L517-R545 CarbonylContact O-C 3.08Å; L517-R545 VanDerWaalsContact O-C 3.23Å; L543-R545 PolarHBondContact O-N 3.5Å; R545-Q547 WeakPolarHBondContact O-CG 3.35Å; R545-Q547 PolarHBondContact O-N 3.17Å
546	L	95.1	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.			trans	-65.1	124.1	-177.3	-170.4	72.3	0	0	0	110.1	L517 L520 L543 L549 L567 S569 L570	L517-L546 HydrophobicContact CD2-CD1 4Å; L517-L546 HydrophobicContact CG-CD1 4.02Å; L517-L546 VanDerWaalsContact O-CA 3.25Å; L517-L546 WeakPolarHBondContact O-CA 2.95Å; L517-L546 PolarHBondContact O-N 3.44Å; L517-L546 VanDerWaalsContact O-N 3.14Å; L520-L546 HydrophobicContact CB-CD1 3.74Å; L520-L546 HydrophobicContact CB-CD2 4.43Å; L543-L546 HydrophobicContact CB-CB 4.1Å; L543-L546 HydrophobicContact CD1-CD2 4.27Å; L543-L546 VanDerWaalsContact O-CB 3.31Å; L543-L546 WeakPolarHBondContact O-CB 3.36Å; L543-L546 PolarHBondContact O-N 3.01Å; L543-L546 VanDerWaalsContact O-N 3.12Å; L546-L549 HydrophobicContact CD2-CB 4.14Å; L546-L549 HydrophobicContact CD2-CD1 4.39Å; L546-L549 HydrophobicContact CD2-CD2 4.41Å; L546-L567 HydrophobicContact CB-CD2 4.23Å; L546-L567 HydrophobicContact CD2-CD1 4.3Å; L546-L567 HydrophobicContact CD2-CD2 3.94Å; L546-S569 CarbonylContact O-C 3.52Å; L546-L570 HydrophobicContact CD2-CD1 4.14Å; L546-L570 HydrophobicContact CG-CD1 4.09Å; L546-L570 VanDerWaalsContact O-CA 3.23Å; L546-L570 WeakPolarHBondContact O-CA 3.48Å; L546-L570 PolarHBondContact O-N 2.9Å; L546-L570 VanDerWaalsContact O-N 3.1Å
547	Q	96.8	Very high	93.5	Very high	81 Å²	81	39.3 Å²	39.3	38%	0.379	19%	0.188	S	C	.	.			trans	-105.2	-34.8	-177.8	-61.8	-180	13.8	0	0	112.2	E518 R545 R571 L572	E518-Q547 PolarHBondContact O-N 2.82Å; R545-Q547 WeakPolarHBondContact O-CG 3.35Å; R545-Q547 PolarHBondContact O-N 3.17Å; Q547-R571 PolarHBondContact O-N 3.25Å; Q547-L572 PolarHBondContact O-N 2.85Å
548	K	98.2	Very high	93.7	Very high	45 Å²	45	38.4 Å²	38.4	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-177.4	-53.1	-175.4	-173.8	166.6	0	111	E518 Q519 L520 Y550 L572	E518-K548 PolarHBondContact O-N 3.41Å; Q519-K548 HydrophobicContact CB-CB 4.47Å; Q519-K548 HydrophobicContact CG-CB 4.14Å; Q519-K548 HydrophobicContact CG-CD 4.21Å; Q519-K548 HydrophobicContact CG-CG 4.29Å; L520-K548 PolarHBondContact N-O 3.42Å; K548-Y550 HydrophobicContact CB-CE2 3.86Å; K548-L572 WeakPolarHBondContact CA-O 3.27Å; K548-L572 HydrophobicContact CB-CB 4.48Å; K548-L572 HydrophobicContact CG-CB 4.21Å
549	L	98.1	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	178.1	179.4	56.6	0	0	0	110.2	L520 F540 L546 L551 F564 L567 L570 L572 L573 S574	L520-L549 HydrophobicContact CB-CD1 4.02Å; L520-L549 HydrophobicContact CD2-CD1 3.99Å; L520-L549 HydrophobicContact CG-CD1 3.99Å; L520-L549 WeakPolarHBondContact O-CA 3.4Å; F540-L549 HydrophobicContact CE1-CD1 4.23Å; F540-L549 HydrophobicContact CE2-CD2 4.36Å; F540-L549 HydrophobicContact CZ-CD1 4.36Å; F540-L549 HydrophobicContact CZ-CD2 4.43Å; L546-L549 HydrophobicContact CD2-CB 4.14Å; L546-L549 HydrophobicContact CD2-CD1 4.39Å; L546-L549 HydrophobicContact CD2-CD2 4.41Å; L549-L551 HydrophobicContact CD1-CD2 4.44Å; L549-L551 HydrophobicContact CD1-CG 4.16Å; L549-L551 HydrophobicContact CD2-CD1 3.94Å; L549-L551 HydrophobicContact CD2-CG 4.42Å; L549-L551 HydrophobicContact CG-CD1 4.09Å; L549-L551 HydrophobicContact CG-CG 4.04Å; L549-F564 HydrophobicContact CD2-CD1 4.01Å; L549-F564 HydrophobicContact CD2-CE1 3.7Å; L549-L567 HydrophobicContact CD2-CD1 4.03Å; L549-L570 HydrophobicContact CB-CD1 3.72Å; L549-L570 HydrophobicContact CB-CD2 4.43Å; L549-L572 PolarHBondContact N-O 3.5Å; L549-L573 HydrophobicContact CB-CD1 4.11Å; L549-L573 HydrophobicContact CD2-CD1 4.03Å; L549-L573 HydrophobicContact CG-CD1 4.01Å; L549-L573 WeakPolarHBondContact O-CA 3.5Å; L549-S574 PolarHBondContact O-N 3.16Å
550	Y	98.5	Very high	94.2	Very high	40 Å²	40	36.6 Å²	36.6	16%	0.157	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.1	177.7	-61.3	-96.4	0	0	0	110.1	L520 F521 L522 K548 L572	L520-Y550 PolarHBondContact O-N 3.04Å; F521-Y550 AromaticContact CD1-CD2 3.27Å; F521-Y550 HydrophobicContact CD1-CD2 3.27Å; F521-Y550 AromaticContact CD1-CE2 3.72Å; F521-Y550 HydrophobicContact CD1-CE2 3.72Å; F521-Y550 AromaticContact CD1-CG 3.74Å; F521-Y550 HydrophobicContact CD1-CG 3.74Å; F521-Y550 AromaticContact CE1-CD2 3.34Å; F521-Y550 HydrophobicContact CE1-CD2 3.34Å; F521-Y550 AromaticContact CE1-CE2 3.22Å; F521-Y550 HydrophobicContact CE1-CE2 3.22Å; F521-Y550 HydrophobicContact CE1-CG 4.08Å; F521-Y550 AromaticContact CE1-CZ 3.9Å; F521-Y550 AromaticContact CG-CD2 3.93Å; F521-Y550 HydrophobicContact CG-CD2 3.93Å; F521-Y550 HydrophobicContact CZ-CD2 4.04Å; F521-Y550 AromaticContact CZ-CE2 3.72Å; F521-Y550 HydrophobicContact CZ-CE2 3.72Å; L522-Y550 CarbonylContact C-O 3.14Å; L522-Y550 WeakPolarHBondContact CA-O 3.24Å; L522-Y550 PolarHBondContact N-O 3.4Å; K548-Y550 HydrophobicContact CB-CE2 3.86Å; Y550-L572 HydrophobicContact CD1-CD2 4.36Å; Y550-L572 HydrophobicContact CE1-CD2 3.72Å; Y550-L572 HydrophobicContact CE2-CD2 4.2Å
551	L	98	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.			trans	-124.7	18.8	-179.2	-70.7	171.6	0	0	0	111.6	L522 L527 W531 F540 L549 N554 F564 L573 S574 L575 N578	L522-L551 HydrophobicContact CB-CD2 3.92Å; L522-L551 HydrophobicContact CD1-CD2 3.95Å; L527-L551 HydrophobicContact CD1-CD2 3.59Å; W531-L551 HydrophobicContact CH2-CD1 4.25Å; W531-L551 HydrophobicContact CH2-CD2 4.33Å; F540-L551 HydrophobicContact CE2-CD1 4.39Å; F540-L551 HydrophobicContact CZ-CD2 4.09Å; L549-L551 HydrophobicContact CD1-CD2 4.44Å; L549-L551 HydrophobicContact CD1-CG 4.16Å; L549-L551 HydrophobicContact CD2-CD1 3.94Å; L549-L551 HydrophobicContact CD2-CG 4.42Å; L549-L551 HydrophobicContact CG-CD1 4.09Å; L549-L551 HydrophobicContact CG-CG 4.04Å; L551-N554 VanDerWaalsContact C-ND2 3.3Å; L551-N554 PolarHBondContact O-ND2 3.07Å; L551-F564 HydrophobicContact CD1-CE1 3.68Å; L551-F564 HydrophobicContact CD1-CZ 3.74Å; L551-L573 HydrophobicContact CD1-CD1 4.31Å; L551-S574 CarbonylContact C-O 3.53Å; L551-S574 WeakPolarHBondContact CA-O 3.41Å; L551-S574 PolarHBondContact N-O 3.09Å; L551-L575 HydrophobicContact CB-CD2 3.84Å; L551-L575 HydrophobicContact CD1-CD2 4.13Å; L551-N578 PolarHBondContact O-ND2 3.15Å
552	N	97.5	Very high	94.1	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.144	22%	0.215	C	C	.	.			trans	-64.8	148.9	-178.4	61.1	-74.1	0	0	0	112.8	S523 E524 N554 S574 N576	S523-N552 CarbonylContact C-O 3.37Å; S523-N552 VanDerWaalsContact CA-O 3.26Å; S523-N552 WeakPolarHBondContact CA-O 3.25Å; S523-N552 WeakPolarHBondContact CB-ND2 3.49Å; S523-N552 WeakPolarHBondContact CB-OD1 3.11Å; S523-N552 PolarHBondContact OG-OD1 3.22Å; E524-N552 PolarHBondContact N-O 3.28Å; N552-N554 PolarHBondContact O-N 2.81Å; N552-N554 PolarHBondContact O-ND2 3.25Å; N552-S574 PolarHBondContact N-O 2.68Å; N552-N576 CarbonylContact C-O 3.38Å; N552-N576 WeakPolarHBondContact CA-O 3.47Å; N552-N576 VanDerWaalsContact CB-O 3.22Å; N552-N576 WeakPolarHBondContact CB-O 3.06Å; N552-N576 WeakPolarHBondContact CB-OD1 3.42Å
553	N	97.4	Very high	94.6	Very high	53 Å²	53	39.4 Å²	39.4	28%	0.283	20%	0.201	S	C	.	.	S	Bend	trans	55.9	48	176.9	-148.2	25.8	0	0	0	113.7	E524 N576 A577	E524-N553 WeakPolarHBondContact CA-O 3.43Å; E524-N553 HydrophobicContact CG-CB 3.88Å; E524-N553 PolarHBondContact N-O 3.31Å; N553-N576 PolarHBondContact N-O 2.8Å; N553-A577 VanDerWaalsContact CA-O 3.28Å; N553-A577 WeakPolarHBondContact CA-O 3.47Å; N553-A577 HydrophobicContact CB-CB 4.19Å; N553-A577 PolarHBondContact OD1-O 3.16Å
554	N	97.9	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-110.4	9.5	179.8	-92	-74.9	0	0	0	114.2	L522 N525 L527 Q528 L551 N552 L556 N578	L522-N554 PolarHBondContact O-ND2 3.12Å; N525-N554 WeakPolarHBondContact CA-OD1 3.4Å; N525-N554 WeakPolarHBondContact CB-OD1 3.32Å; N525-N554 PolarHBondContact N-OD1 3.25Å; N525-N554 PolarHBondContact O-OD1 3.17Å; L527-N554 HydrophobicContact CB-CB 4.21Å; L527-N554 WeakPolarHBondContact CB-OD1 3.23Å; L527-N554 HydrophobicContact CD1-CB 4.48Å; L527-N554 WeakPolarHBondContact CD1-OD1 3.44Å; L527-N554 WeakPolarHBondContact CG-OD1 3.27Å; L527-N554 PolarHBondContact N-OD1 2.77Å; Q528-N554 PolarHBondContact N-O 3.19Å; L551-N554 VanDerWaalsContact C-ND2 3.3Å; L551-N554 PolarHBondContact O-ND2 3.07Å; N552-N554 PolarHBondContact O-N 2.81Å; N552-N554 PolarHBondContact O-ND2 3.25Å; N554-L556 HydrophobicContact CB-CD1 4.1Å; N554-L556 HydrophobicContact CB-CD2 4.12Å; N554-L556 HydrophobicContact CB-CG 3.7Å; N554-L556 PolarHBondContact O-N 3.4Å; N554-N578 WeakPolarHBondContact CA-OD1 3.3Å; N554-N578 PolarHBondContact N-OD1 3.19Å
555	Y	96.7	Very high	94.5	Very high	112 Å²	112	41.4 Å²	41.4	44%	0.439	21%	0.214	S	C	.	.			trans	58.4	21.6	-175.3	-52.2	-78.9	0	0	0	114.2	M526 Q528 N557 N578	M526-Y555 HydrophobicContact CG-CD2 4.43Å; M526-Y555 HydrophobicContact CG-CE2 4.32Å; Q528-Y555 WeakPolarHBondContact CB-O 3.38Å; Q528-Y555 WeakPolarHBondContact CG-O 3.47Å; Y555-N557 PolarHBondContact O-N 3.4Å; Y555-N578 PolarHBondContact N-OD1 3.42Å; Y555-N578 VanDerWaalsContact N-OD1 3.13Å
556	L	96.5	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.			trans	-64.6	124	-174.6	-59.2	175.2	0	0	0	111	L527 Q528 W531 N554 L559 L575 N578 R579 L580	L527-L556 HydrophobicContact CB-CD2 4.09Å; Q528-L556 HydrophobicContact CB-CD2 4.32Å; Q528-L556 VanDerWaalsContact OE1-CA 3.32Å; W531-L556 HydrophobicContact CE3-CD2 3.45Å; W531-L556 VanDerWaalsContact CE3-CD2 3.45Å; W531-L556 HydrophobicContact CH2-CD1 4.5Å; W531-L556 HydrophobicContact CH2-CD2 4.47Å; W531-L556 HydrophobicContact CZ3-CD1 3.77Å; W531-L556 HydrophobicContact CZ3-CD2 3.41Å; W531-L556 VanDerWaalsContact CZ3-CD2 3.41Å; W531-L556 HydrophobicContact CZ3-CG 4.23Å; N554-L556 HydrophobicContact CB-CD1 4.1Å; N554-L556 HydrophobicContact CB-CD2 4.12Å; N554-L556 HydrophobicContact CB-CG 3.7Å; N554-L556 PolarHBondContact O-N 3.4Å; L556-L559 HydrophobicContact CD1-CD2 4.23Å; L556-L575 HydrophobicContact CD1-CD2 4.1Å; L556-N578 HydrophobicContact CB-CB 4.09Å; L556-N578 WeakPolarHBondContact CG-OD1 3.45Å; L556-N578 PolarHBondContact N-OD1 3.39Å; L556-R579 CarbonylContact O-C 3.48Å; L556-R579 VanDerWaalsContact O-CA 3.23Å; L556-R579 WeakPolarHBondContact O-CA 3.39Å; L556-R579 PolarHBondContact O-N 3.16Å; L556-L580 HydrophobicContact CB-CD2 4.16Å; L556-L580 PolarHBondContact O-N 3.27Å; L556-L580 VanDerWaalsContact O-N 3.15Å
557	N	94.5	Very high	93.9	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-100.9	-21.6	173	66.8	-1.5	0	0	0	112.9	Q528 Y555 R579	Q528-N557 VanDerWaalsContact NE2-CG 3.31Å; Q528-N557 PolarHBondContact NE2-ND2 2.73Å; Q528-N557 PolarHBondContact NE2-OD1 3.25Å; Q528-N557 PolarHBondContact OE1-OD1 3.3Å; Y555-N557 PolarHBondContact O-N 3.4Å; N557-R579 WeakPolarHBondContact CA-O 3.22Å; N557-R579 HydrophobicContact CB-CB 4.5Å
558	F	92.8	Very high	93.6	Very high	70 Å²	70	37.6 Å²	37.6	31%	0.307	22%	0.218	S	C	.	.	S	Bend	trans	-141	163.8	172.1	71.4	-96.5	0	0	0	110.4	P560	F558-P560 HydrophobicContact CD2-CG 4.49Å; F558-P560 HydrophobicContact CE2-CB 4.37Å; F558-P560 HydrophobicContact CE2-CG 3.96Å
559	L	93.8	Very high	93.5	Very high	24 Å²	24	37.7 Å²	37.7	13%	0.126	22%	0.224	C	C	.	.			trans	-107.4	126.7	168.3	-62.7	174.6	0	0	0	108.7	L556 F564 L575 L580 L583	L556-L559 HydrophobicContact CD1-CD2 4.23Å; L559-F564 HydrophobicContact CD1-CE2 4.16Å; L559-F564 HydrophobicContact CD2-CE2 4.43Å; L559-F564 HydrophobicContact CD2-CZ 4.37Å; L559-L575 HydrophobicContact CD1-CD1 3.94Å; L559-L575 HydrophobicContact CD2-CD1 4.42Å; L559-L575 HydrophobicContact CD2-CD2 3.97Å; L559-L580 HydrophobicContact CD2-CD2 4.29Å; L559-L580 HydrophobicContact CG-CD2 4.06Å; L559-L583 HydrophobicContact CD1-CD1 3.52Å
560	P	92	Very high	93.4	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	22%	0.224	C	C	.	.			trans	-60.4	140.5	179.7	-19.2	27.2	0	0	0	112.1	W531 W537 F558 G562 V563	W531-P560 HydrophobicContact CB-CG 4.05Å; W531-P560 HydrophobicContact CD2-CG 3.88Å; W531-P560 HydrophobicContact CE3-CG 3.93Å; W531-P560 HydrophobicContact CG-CG 3.95Å; W537-P560 HydrophobicContact CB-CB 4.15Å; W537-P560 HydrophobicContact CD2-CB 3.55Å; W537-P560 HydrophobicContact CD2-CG 4.4Å; W537-P560 HydrophobicContact CE3-CB 4.11Å; W537-P560 HydrophobicContact CG-CB 3.56Å; W537-P560 HydrophobicContact CG-CG 4.09Å; W537-P560 HydrophobicContact CZ2-CB 4.35Å; F558-P560 HydrophobicContact CD2-CG 4.49Å; F558-P560 HydrophobicContact CE2-CB 4.37Å; F558-P560 HydrophobicContact CE2-CG 3.96Å; P560-G562 PolarHBondContact O-N 2.94Å; P560-V563 HydrophobicContact CB-CB 4.07Å; P560-V563 HydrophobicContact CG-CB 4.29Å; P560-V563 HydrophobicContact CG-CG2 4.32Å; P560-V563 WeakPolarHBondContact O-CB 3.05Å; P560-V563 VanDerWaalsContact O-CG1 3.29Å; P560-V563 WeakPolarHBondContact O-CG1 2.92Å; P560-V563 PolarHBondContact O-N 3.49Å; P560-V563 VanDerWaalsContact O-N 3.11Å
561	P	89.4	Confident	93.3	Very high	103 Å²	103	41.1 Å²	41.1	67%	0.669	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.1	180	-24.7	34.1	0	0	0	111.6	V563	P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 2.81Å
562	G	87.3	Confident	93.3	Very high	42 Å²	42	42.5 Å²	42.5	43%	0.433	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	13.3	179.2	0	0	0	0	0	115.4	P560 F564 S565	P560-G562 PolarHBondContact O-N 2.94Å; G562-F564 PolarHBondContact O-N 2.88Å; G562-F564 VanDerWaalsContact O-N 3.16Å; G562-S565 WeakPolarHBondContact O-CB 3.37Å; G562-S565 PolarHBondContact O-N 2.82Å; G562-S565 PolarHBondContact O-OG 3.05Å
563	V	91.3	Very high	93.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	178.6	67.9	0	0	0	0	113.4	W531 F540 P560 P561	W531-V563 HydrophobicContact CH2-CG2 4.46Å; W531-V563 HydrophobicContact CZ2-CG2 4.23Å; F540-V563 HydrophobicContact CD2-CG2 3.95Å; F540-V563 HydrophobicContact CE2-CG2 4.11Å; P560-V563 HydrophobicContact CB-CB 4.07Å; P560-V563 HydrophobicContact CG-CB 4.29Å; P560-V563 HydrophobicContact CG-CG2 4.32Å; P560-V563 WeakPolarHBondContact O-CB 3.05Å; P560-V563 VanDerWaalsContact O-CG1 3.29Å; P560-V563 WeakPolarHBondContact O-CG1 2.92Å; P560-V563 PolarHBondContact O-N 3.49Å; P560-V563 VanDerWaalsContact O-N 3.11Å; P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 2.81Å
564	F	92.6	Very high	93.3	Very high	10 Å²	10	39 Å²	39	4%	0.044	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	11.7	176.8	-53.4	-49.9	0	0	0	113.3	F540 L549 L551 L559 G562 G566 L567 L573 S587 P589	F540-F564 HydrophobicContact CD2-CD1 4.11Å; F540-F564 HydrophobicContact CD2-CE1 4.17Å; F540-F564 HydrophobicContact CE2-CD1 4.49Å; F540-F564 HydrophobicContact CE2-CE1 4.09Å; L549-F564 HydrophobicContact CD2-CD1 4.01Å; L549-F564 HydrophobicContact CD2-CE1 3.7Å; L551-F564 HydrophobicContact CD1-CE1 3.68Å; L551-F564 HydrophobicContact CD1-CZ 3.74Å; L559-F564 HydrophobicContact CD1-CE2 4.16Å; L559-F564 HydrophobicContact CD2-CE2 4.43Å; L559-F564 HydrophobicContact CD2-CZ 4.37Å; G562-F564 PolarHBondContact O-N 2.88Å; G562-F564 VanDerWaalsContact O-N 3.16Å; F564-G566 PolarHBondContact O-N 2.81Å; F564-L567 HydrophobicContact CB-CD1 3.97Å; F564-L567 HydrophobicContact CB-CG 4.48Å; F564-L567 HydrophobicContact CD1-CD1 3.78Å; F564-L567 HydrophobicContact CG-CD1 4.29Å; F564-L567 WeakPolarHBondContact O-CB 3.13Å; F564-L567 PolarHBondContact O-N 3.5Å; F564-L573 HydrophobicContact CD2-CD2 4.38Å; F564-L573 HydrophobicContact CE1-CD1 4.46Å; F564-L573 HydrophobicContact CE2-CD2 3.92Å; F564-L573 HydrophobicContact CZ-CD1 4.23Å; F564-L573 HydrophobicContact CZ-CD2 4.21Å; F564-S587 WeakPolarHBondContact CD2-O 3.43Å; F564-P589 HydrophobicContact CB-CG 3.69Å; F564-P589 HydrophobicContact CG-CG 4.34Å
565	S	86.6	Confident	93.3	Very high	62 Å²	62	39 Å²	39	43%	0.434	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	133.2	175.9	66.6	0	0	0	0	110.3	G562	G562-S565 WeakPolarHBondContact O-CB 3.37Å; G562-S565 PolarHBondContact O-N 2.82Å; G562-S565 PolarHBondContact O-OG 3.05Å
566	G	84.3	Confident	93.3	Very high	42 Å²	42	35.2 Å²	35.2	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-6.2	-176.7	0	0	0	0	0	115.9	F564 V568	F564-G566 PolarHBondContact O-N 2.81Å; G566-V568 PolarHBondContact O-N 3Å
567	L	92	Very high	93.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	23%	0.225	C	C	.	.			trans	-78.7	59.5	173.7	-62	-172.1	0	0	0	112.4	F540 L543 L546 L549 F564 S569 L570	F540-L567 HydrophobicContact CB-CD1 4.28Å; F540-L567 HydrophobicContact CB-CD2 4.15Å; F540-L567 HydrophobicContact CB-CG 4.42Å; L543-L567 HydrophobicContact CB-CD2 3.65Å; L543-L567 WeakPolarHBondContact O-CD2 3.17Å; L546-L567 HydrophobicContact CB-CD2 4.23Å; L546-L567 HydrophobicContact CD2-CD1 4.3Å; L546-L567 HydrophobicContact CD2-CD2 3.94Å; L549-L567 HydrophobicContact CD2-CD1 4.03Å; F564-L567 HydrophobicContact CB-CD1 3.97Å; F564-L567 HydrophobicContact CB-CG 4.48Å; F564-L567 HydrophobicContact CD1-CD1 3.78Å; F564-L567 HydrophobicContact CG-CD1 4.29Å; F564-L567 WeakPolarHBondContact O-CB 3.13Å; F564-L567 PolarHBondContact O-N 3.5Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 2.93Å; L567-L570 HydrophobicContact CB-CB 4.1Å; L567-L570 HydrophobicContact CD1-CD2 4.12Å; L567-L570 WeakPolarHBondContact O-CB 3.35Å; L567-L570 PolarHBondContact O-N 3.4Å
568	V	91.1	Very high	93.5	Very high	83 Å²	83	33.7 Å²	33.7	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.1	-170	-62.6	0	0	0	0	114.5	S544 G566 N591	S544-V568 WeakPolarHBondContact O-CG2 3.34Å; G566-V568 PolarHBondContact O-N 3Å; V568-N591 PolarHBondContact O-ND2 3.41Å
569	S	94.4	Very high	93.7	Very high	46 Å²	46	36.8 Å²	36.8	32%	0.322	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.2	-179.2	-56.1	0	0	0	0	113.8	S544 L546 L567 R571	S544-S569 WeakPolarHBondContact O-CB 3.41Å; S544-S569 PolarHBondContact O-N 3.41Å; S544-S569 PolarHBondContact O-OG 3.49Å; L546-S569 CarbonylContact O-C 3.52Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 2.93Å; S569-R571 PolarHBondContact O-N 3.23Å
570	L	96.1	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.			trans	-68.7	124.2	-173	-164.5	75.4	0	0	0	111	L546 L549 L567 L573 P589 N591 L592	L546-L570 HydrophobicContact CD2-CD1 4.14Å; L546-L570 HydrophobicContact CG-CD1 4.09Å; L546-L570 VanDerWaalsContact O-CA 3.23Å; L546-L570 WeakPolarHBondContact O-CA 3.48Å; L546-L570 PolarHBondContact O-N 2.9Å; L546-L570 VanDerWaalsContact O-N 3.1Å; L549-L570 HydrophobicContact CB-CD1 3.72Å; L549-L570 HydrophobicContact CB-CD2 4.43Å; L567-L570 HydrophobicContact CB-CB 4.1Å; L567-L570 HydrophobicContact CD1-CD2 4.12Å; L567-L570 WeakPolarHBondContact O-CB 3.35Å; L567-L570 PolarHBondContact O-N 3.4Å; L570-L573 HydrophobicContact CD2-CB 4.2Å; L570-P589 HydrophobicContact CD2-CG 3.88Å; L570-N591 CarbonylContact O-C 3.49Å; L570-L592 HydrophobicContact CD2-CD1 4.15Å; L570-L592 HydrophobicContact CG-CD1 4.27Å
571	R	96.6	Very high	93.8	Very high	112 Å²	112	38.3 Å²	38.3	42%	0.423	23%	0.229	S	C	.	.			trans	-111	-34.2	-179.7	-58.6	-53.2	-171.1	152.8	5.6	112.7	Q547 S569 N591 E593 T594	Q547-R571 PolarHBondContact O-N 3.25Å; S569-R571 PolarHBondContact O-N 3.23Å; R571-N591 PolarHBondContact NH1-O 2.94Å; R571-E593 WeakPolarHBondContact CD-OE1 3.41Å; R571-E593 IonicContact CZ-OE1 3.25Å; R571-E593 VanDerWaalsContact CZ-OE1 3.25Å; R571-E593 IonicContact NE-OE1 3.59Å; R571-E593 IonicContact NH1-OE1 2.69Å; R571-E593 PolarHBondContact NH1-OE1 2.86Å; R571-E593 WeakPolarHBondContact O-CA 3.36Å; R571-E593 PolarHBondContact O-N 3.41Å; R571-T594 PolarHBondContact O-N 3.11Å
572	L	98.1	Very high	93.7	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.8	-179.2	-173.5	155.4	0	0	0	110.4	Q547 K548 L549 Y550 T594	Q547-L572 PolarHBondContact O-N 2.85Å; K548-L572 WeakPolarHBondContact CA-O 3.27Å; K548-L572 HydrophobicContact CB-CB 4.48Å; K548-L572 HydrophobicContact CG-CB 4.21Å; L549-L572 PolarHBondContact N-O 3.5Å; Y550-L572 HydrophobicContact CD1-CD2 4.36Å; Y550-L572 HydrophobicContact CE1-CD2 3.72Å; Y550-L572 HydrophobicContact CE2-CD2 4.2Å; L572-T594 WeakPolarHBondContact CA-O 3.33Å; L572-T594 HydrophobicContact CD1-CG2 4.22Å; L572-T594 HydrophobicContact CG-CG2 4.2Å
573	L	97.8	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.9	173	178.8	59.5	0	0	0	109.2	L549 L551 F564 L570 L575 L588 L592 T594 L595 D596	L549-L573 HydrophobicContact CB-CD1 4.11Å; L549-L573 HydrophobicContact CD2-CD1 4.03Å; L549-L573 HydrophobicContact CG-CD1 4.01Å; L549-L573 WeakPolarHBondContact O-CA 3.5Å; L551-L573 HydrophobicContact CD1-CD1 4.31Å; F564-L573 HydrophobicContact CD2-CD2 4.38Å; F564-L573 HydrophobicContact CE1-CD1 4.46Å; F564-L573 HydrophobicContact CE2-CD2 3.92Å; F564-L573 HydrophobicContact CZ-CD1 4.23Å; F564-L573 HydrophobicContact CZ-CD2 4.21Å; L570-L573 HydrophobicContact CD2-CB 4.2Å; L573-L575 HydrophobicContact CD1-CG 4.3Å; L573-L575 HydrophobicContact CD2-CD1 3.91Å; L573-L575 HydrophobicContact CD2-CG 4.35Å; L573-L575 HydrophobicContact CG-CD1 4.16Å; L573-L575 HydrophobicContact CG-CG 4.07Å; L573-L588 HydrophobicContact CD2-CD2 3.89Å; L573-L592 HydrophobicContact CB-CD1 3.61Å; L573-L592 HydrophobicContact CB-CD2 3.99Å; L573-L592 HydrophobicContact CB-CG 4.47Å; L573-L592 HydrophobicContact CD2-CD2 4.28Å; L573-T594 PolarHBondContact N-O 2.51Å; L573-L595 HydrophobicContact CB-CD1 4.14Å; L573-L595 HydrophobicContact CD2-CD1 4.1Å; L573-L595 HydrophobicContact CG-CD1 4.1Å; L573-L595 WeakPolarHBondContact O-CA 3.17Å; L573-D596 PolarHBondContact O-N 3.3Å
574	S	98.1	Very high	93.4	Very high	6 Å²	6	39 Å²	39	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.8	175.1	168.8	0	0	0	0	109.9	L549 L551 N552 N576	L549-S574 PolarHBondContact O-N 3.16Å; L551-S574 CarbonylContact C-O 3.53Å; L551-S574 WeakPolarHBondContact CA-O 3.41Å; L551-S574 PolarHBondContact N-O 3.09Å; N552-S574 PolarHBondContact N-O 2.68Å; S574-N576 PolarHBondContact OG-OD1 2.96Å
575	L	97.6	Very high	92.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.			trans	-123.5	16.5	179.1	-71.9	169.6	0	0	0	111.2	L551 L556 L559 L573 N578 L580 L595 D596 I597 N600	L551-L575 HydrophobicContact CB-CD2 3.84Å; L551-L575 HydrophobicContact CD1-CD2 4.13Å; L556-L575 HydrophobicContact CD1-CD2 4.1Å; L559-L575 HydrophobicContact CD1-CD1 3.94Å; L559-L575 HydrophobicContact CD2-CD1 4.42Å; L559-L575 HydrophobicContact CD2-CD2 3.97Å; L573-L575 HydrophobicContact CD1-CG 4.3Å; L573-L575 HydrophobicContact CD2-CD1 3.91Å; L573-L575 HydrophobicContact CD2-CG 4.35Å; L573-L575 HydrophobicContact CG-CD1 4.16Å; L573-L575 HydrophobicContact CG-CG 4.07Å; L575-N578 PolarHBondContact O-ND2 3.3Å; L575-L580 HydrophobicContact CB-CD1 4.23Å; L575-L580 HydrophobicContact CD1-CD1 4.22Å; L575-L595 HydrophobicContact CD1-CD1 4.33Å; L575-D596 CarbonylContact C-O 3.5Å; L575-D596 WeakPolarHBondContact CA-O 3.49Å; L575-D596 PolarHBondContact N-O 3.3Å; L575-I597 HydrophobicContact CB-CG2 4.19Å; L575-I597 HydrophobicContact CD1-CG2 4.43Å; L575-N600 PolarHBondContact O-ND2 3.03Å
576	N	97.3	Very high	92.5	Very high	32 Å²	32	46 Å²	46	17%	0.171	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	159.4	-175.8	70.3	-50.5	0	0	0	113.3	N552 N553 S574 N578 D596 S598	N552-N576 CarbonylContact C-O 3.38Å; N552-N576 WeakPolarHBondContact CA-O 3.47Å; N552-N576 VanDerWaalsContact CB-O 3.22Å; N552-N576 WeakPolarHBondContact CB-O 3.06Å; N552-N576 WeakPolarHBondContact CB-OD1 3.42Å; N553-N576 PolarHBondContact N-O 2.8Å; S574-N576 PolarHBondContact OG-OD1 2.96Å; N576-N578 PolarHBondContact O-N 3.21Å; N576-D596 WeakPolarHBondContact CB-OD1 3.43Å; N576-D596 VanDerWaalsContact CG-OD2 3.29Å; N576-D596 PolarHBondContact N-O 3.37Å; N576-S598 CarbonylContact C-O 3.59Å; N576-S598 WeakPolarHBondContact CA-O 3.45Å; N576-S598 WeakPolarHBondContact CB-O 3.48Å; N576-S598 VanDerWaalsContact CB-OG 3.24Å; N576-S598 WeakPolarHBondContact CB-OG 3.24Å
577	A	97.2	Very high	92.5	Very high	30 Å²	30	45.1 Å²	45.1	25%	0.248	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	35.2	-178	0	0	0	0	0	113.4	N553 S598 R599	N553-A577 VanDerWaalsContact CA-O 3.28Å; N553-A577 WeakPolarHBondContact CA-O 3.47Å; N553-A577 HydrophobicContact CB-CB 4.19Å; N553-A577 PolarHBondContact OD1-O 3.16Å; A577-S598 PolarHBondContact N-O 3.5Å; A577-R599 CarbonylContact C-O 3.58Å; A577-R599 WeakPolarHBondContact CA-O 3.31Å; A577-R599 HydrophobicContact CB-CB 4.33Å; A577-R599 PolarHBondContact N-O 2.82Å
578	N	98	Very high	92.4	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	26%	0.255	C	S	.	.	S	Bend	trans	-103.4	-165.4	171.2	-80.4	-64	0	0	0	110.2	L551 N554 Y555 L556 L575 N576 L580 R599 N600	L551-N578 PolarHBondContact O-ND2 3.15Å; N554-N578 WeakPolarHBondContact CA-OD1 3.3Å; N554-N578 PolarHBondContact N-OD1 3.19Å; Y555-N578 PolarHBondContact N-OD1 3.42Å; Y555-N578 VanDerWaalsContact N-OD1 3.13Å; L556-N578 HydrophobicContact CB-CB 4.09Å; L556-N578 WeakPolarHBondContact CG-OD1 3.45Å; L556-N578 PolarHBondContact N-OD1 3.39Å; L575-N578 PolarHBondContact O-ND2 3.3Å; N576-N578 PolarHBondContact O-N 3.21Å; N578-L580 HydrophobicContact CB-CG 4.28Å; N578-R599 PolarHBondContact N-O 3.36Å; N578-N600 VanDerWaalsContact CA-OD1 3.29Å; N578-N600 WeakPolarHBondContact CA-OD1 3.36Å; N578-N600 WeakPolarHBondContact CB-OD1 3.42Å; N578-N600 PolarHBondContact N-OD1 3.12Å; N578-N600 PolarHBondContact O-OD1 3.16Å
579	R	96.5	Very high	92.3	Very high	134 Å²	134	43 Å²	43	51%	0.506	24%	0.236	S	C	.	.			trans	-122.2	30	-179.4	-60.9	-175.2	179.4	-175.1	0.9	111.5	L556 N557 T581 N600	L556-R579 CarbonylContact O-C 3.48Å; L556-R579 VanDerWaalsContact O-CA 3.23Å; L556-R579 WeakPolarHBondContact O-CA 3.39Å; L556-R579 PolarHBondContact O-N 3.16Å; N557-R579 WeakPolarHBondContact CA-O 3.22Å; N557-R579 HydrophobicContact CB-CB 4.5Å; R579-T581 PolarHBondContact O-N 2.99Å; R579-N600 PolarHBondContact N-OD1 3.16Å
580	L	95.3	Very high	92	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	26%	0.255	C	S	.	.			trans	-67.7	128.5	-177.5	-62.8	172.2	0	0	0	109.4	L556 L559 L575 N578 N600 Q601 L602	L556-L580 HydrophobicContact CB-CD2 4.16Å; L556-L580 PolarHBondContact O-N 3.27Å; L556-L580 VanDerWaalsContact O-N 3.15Å; L559-L580 HydrophobicContact CD2-CD2 4.29Å; L559-L580 HydrophobicContact CG-CD2 4.06Å; L575-L580 HydrophobicContact CB-CD1 4.23Å; L575-L580 HydrophobicContact CD1-CD1 4.22Å; N578-L580 HydrophobicContact CB-CG 4.28Å; L580-N600 HydrophobicContact CB-CB 4.41Å; L580-N600 WeakPolarHBondContact CB-OD1 3.34Å; L580-N600 PolarHBondContact N-OD1 3.01Å; L580-N600 VanDerWaalsContact N-OD1 3.08Å; L580-Q601 CarbonylContact O-C 3.37Å; L580-Q601 WeakPolarHBondContact O-CA 3.19Å; L580-Q601 PolarHBondContact O-N 3.41Å; L580-L602 HydrophobicContact CB-CD2 4.38Å; L580-L602 PolarHBondContact O-N 2.81Å
581	T	91.9	Very high	91.7	Very high	57 Å²	57	49 Å²	49	35%	0.35	28%	0.276	S	S	.	.			trans	-100.4	-35.8	178.8	56.3	0	0	0	0	112.3	R579 Q601 F603	R579-T581 PolarHBondContact O-N 2.99Å; T581-Q601 WeakPolarHBondContact CA-O 3.26Å; T581-Q601 HydrophobicContact CG2-CB 4.24Å; T581-F603 VanDerWaalsContact O-CD1 3.28Å; T581-F603 WeakPolarHBondContact O-CD1 3.44Å; T581-F603 WeakPolarHBondContact O-CE1 3.06Å
582	T	88.4	Confident	91.6	Very high	78 Å²	78	43.8 Å²	43.8	48%	0.479	26%	0.257	S	S	.	.			trans	-134.2	155.3	177	61.5	0	0	0	0	111	F603	T582-F603 HydrophobicContact CG2-CE1 3.54Å; T582-F603 HydrophobicContact CG2-CZ 3.58Å
583	L	88.7	Confident	91.5	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	26%	0.264	C	S	.	.			trans	-134.7	123	173.7	-166.7	72.1	0	0	0	108.3	L559 S587 L588 L595 F610	L559-L583 HydrophobicContact CD1-CD1 3.52Å; L583-S587 WeakPolarHBondContact CD1-OG 3.35Å; L583-L588 HydrophobicContact CD2-CD1 3.86Å; L583-L588 HydrophobicContact CD2-CD2 4.36Å; L583-L588 HydrophobicContact CD2-CG 4.19Å; L583-L595 HydrophobicContact CD2-CD2 4.48Å; L583-F610 HydrophobicContact CD2-CE1 3.76Å; L583-F610 HydrophobicContact CD2-CZ 4.31Å
584	S	82.3	Confident	91.4	Very high	70 Å²	70	47.4 Å²	47.4	49%	0.49	28%	0.276	S	S	.	.			trans	-86.2	146.7	178.8	-54.4	0	0	0	0	110.9	D586 S587	S584-D586 PolarHBondContact O-N 3.25Å; S584-S587 VanDerWaalsContact O-CB 3.3Å; S584-S587 WeakPolarHBondContact O-CB 3.12Å; S584-S587 PolarHBondContact O-N 3.29Å; S584-S587 PolarHBondContact O-OG 3.47Å
585	P	78.3	Confident	91.4	Very high	63 Å²	63	47.1 Å²	47.1	41%	0.409	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35.1	176.9	-27.9	35.3	0	0	0	113.8	S587 D606 S609	P585-S587 VanDerWaalsContact C-N 3.27Å; P585-S587 PolarHBondContact O-N 3.31Å; P585-D606 WeakPolarHBondContact CG-OD2 3.36Å; P585-S609 WeakPolarHBondContact CA-OG 3.16Å
586	D	82.1	Confident	91.4	Very high	157 Å²	157	48.8 Å²	48.8	84%	0.84	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-80.1	-3	179.8	-60.2	-37.2	0	0	0	114.1	S584	S584-D586 PolarHBondContact O-N 3.25Å
587	S	84.5	Confident	91.3	Very high	24 Å²	24	47.4 Å²	47.4	17%	0.168	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.7	-17.6	-176	69.6	0	0	0	0	113.9	F564 L583 S584 P585	F564-S587 WeakPolarHBondContact CD2-O 3.43Å; L583-S587 WeakPolarHBondContact CD1-OG 3.35Å; S584-S587 VanDerWaalsContact O-CB 3.3Å; S584-S587 WeakPolarHBondContact O-CB 3.12Å; S584-S587 PolarHBondContact O-N 3.29Å; S584-S587 PolarHBondContact O-OG 3.47Å; P585-S587 VanDerWaalsContact C-N 3.27Å; P585-S587 PolarHBondContact O-N 3.31Å
588	L	90.2	Very high	91.3	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.136	27%	0.266	C	S	.	.	S	Bend	trans	-104.7	149	-175.4	-65.1	176.7	0	0	0	112.7	L573 L583 L592 L595 S609	L573-L588 HydrophobicContact CD2-CD2 3.89Å; L583-L588 HydrophobicContact CD2-CD1 3.86Å; L583-L588 HydrophobicContact CD2-CD2 4.36Å; L583-L588 HydrophobicContact CD2-CG 4.19Å; L588-L592 HydrophobicContact CD2-CD2 4.29Å; L588-L595 HydrophobicContact CD1-CD2 3.74Å; L588-L595 HydrophobicContact CD2-CD1 4.3Å; L588-L595 HydrophobicContact CD2-CD2 4.34Å; L588-S609 WeakPolarHBondContact CD1-O 3.4Å
589	P	89.8	Confident	91.2	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.104	28%	0.284	C	S	.	.			trans	-66	142.4	173.4	-24.8	37.8	0	0	0	113.3	F564 L570 N591 L592	F564-P589 HydrophobicContact CB-CG 3.69Å; F564-P589 HydrophobicContact CG-CG 4.34Å; L570-P589 HydrophobicContact CD2-CG 3.88Å; P589-N591 VanDerWaalsContact C-N 3.34Å; P589-N591 PolarHBondContact O-N 3.02Å; P589-L592 WeakPolarHBondContact O-CB 3.34Å; P589-L592 PolarHBondContact O-N 3.11Å
590	A	86.7	Confident	91.2	Very high	86 Å²	86	45.1 Å²	45.1	71%	0.711	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.5	-175.9	0	0	0	0	0	115
591	N	90.4	Very high	91.1	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	11.5	-175.2	-68.1	-33.2	0	0	0	114	V568 L570 R571 P589	V568-N591 PolarHBondContact O-ND2 3.41Å; L570-N591 CarbonylContact O-C 3.49Å; R571-N591 PolarHBondContact NH1-O 2.94Å; P589-N591 VanDerWaalsContact C-N 3.34Å; P589-N591 PolarHBondContact O-N 3.02Å
592	L	94.5	Very high	91.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.26	C	S	.	.			trans	-67.6	130.5	-176.5	-169.7	66.9	0	0	0	110.7	L570 L573 L588 P589 L595 L613	L570-L592 HydrophobicContact CD2-CD1 4.15Å; L570-L592 HydrophobicContact CG-CD1 4.27Å; L573-L592 HydrophobicContact CB-CD1 3.61Å; L573-L592 HydrophobicContact CB-CD2 3.99Å; L573-L592 HydrophobicContact CB-CG 4.47Å; L573-L592 HydrophobicContact CD2-CD2 4.28Å; L588-L592 HydrophobicContact CD2-CD2 4.29Å; P589-L592 WeakPolarHBondContact O-CB 3.34Å; P589-L592 PolarHBondContact O-N 3.11Å; L592-L595 HydrophobicContact CD2-CB 4.16Å; L592-L595 HydrophobicContact CD2-CD1 4.16Å; L592-L613 HydrophobicContact CB-CD2 4.05Å; L592-L613 HydrophobicContact CD2-CD2 3.85Å; L592-L613 HydrophobicContact CG-CD2 3.8Å
593	E	95.2	Very high	91.3	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	25%	0.253	S	S	.	.			trans	-105.6	-39.2	-179.3	-66.9	-178.5	-166.2	0	0	112	R571 R614 V615	R571-E593 WeakPolarHBondContact CD-OE1 3.41Å; R571-E593 IonicContact CZ-OE1 3.25Å; R571-E593 VanDerWaalsContact CZ-OE1 3.25Å; R571-E593 IonicContact NE-OE1 3.59Å; R571-E593 IonicContact NH1-OE1 2.69Å; R571-E593 PolarHBondContact NH1-OE1 2.86Å; R571-E593 WeakPolarHBondContact O-CA 3.36Å; R571-E593 PolarHBondContact O-N 3.41Å; E593-R614 HydrophobicContact CB-CB 4.45Å; E593-R614 WeakPolarHBondContact O-CA 3.21Å; E593-R614 WeakPolarHBondContact O-CB 3.46Å; E593-R614 PolarHBondContact O-N 3.28Å; E593-V615 PolarHBondContact O-N 3.33Å
594	T	97.3	Very high	91.2	Very high	40 Å²	40	46.9 Å²	46.9	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.3	-176.5	-57.1	0	0	0	0	110	R571 L572 L573 V615	R571-T594 PolarHBondContact O-N 3.11Å; L572-T594 WeakPolarHBondContact CA-O 3.33Å; L572-T594 HydrophobicContact CD1-CG2 4.22Å; L572-T594 HydrophobicContact CG-CG2 4.2Å; L573-T594 PolarHBondContact N-O 2.51Å; T594-V615 WeakPolarHBondContact CA-O 3.43Å; T594-V615 HydrophobicContact CG2-CB 4.13Å; T594-V615 HydrophobicContact CG2-CG1 4.3Å
595	L	97.1	Very high	91.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	175	-179.7	61.8	0	0	0	109.8	L573 L575 L583 L588 L592 I597 F610 L613 V615 L616 D617	L573-L595 HydrophobicContact CB-CD1 4.14Å; L573-L595 HydrophobicContact CD2-CD1 4.1Å; L573-L595 HydrophobicContact CG-CD1 4.1Å; L573-L595 WeakPolarHBondContact O-CA 3.17Å; L575-L595 HydrophobicContact CD1-CD1 4.33Å; L583-L595 HydrophobicContact CD2-CD2 4.48Å; L588-L595 HydrophobicContact CD1-CD2 3.74Å; L588-L595 HydrophobicContact CD2-CD1 4.3Å; L588-L595 HydrophobicContact CD2-CD2 4.34Å; L592-L595 HydrophobicContact CD2-CB 4.16Å; L592-L595 HydrophobicContact CD2-CD1 4.16Å; L595-I597 HydrophobicContact CD1-CG2 3.79Å; L595-I597 HydrophobicContact CD2-CG2 3.94Å; L595-I597 HydrophobicContact CG-CG2 3.73Å; L595-F610 HydrophobicContact CD2-CD1 4.12Å; L595-F610 HydrophobicContact CD2-CE1 4.08Å; L595-L613 HydrophobicContact CB-CD1 3.68Å; L595-L613 HydrophobicContact CB-CD2 4.03Å; L595-L613 HydrophobicContact CD2-CD1 3.78Å; L595-L613 HydrophobicContact CG-CD1 4.39Å; L595-V615 PolarHBondContact N-O 3.04Å; L595-L616 HydrophobicContact CB-CD1 4.03Å; L595-L616 HydrophobicContact CD2-CD1 4.03Å; L595-L616 HydrophobicContact CG-CD1 4.1Å; L595-L616 WeakPolarHBondContact O-CA 3.37Å; L595-D617 PolarHBondContact O-N 3.42Å
596	D	97.4	Very high	92.1	Very high	35 Å²	35	44.6 Å²	44.6	19%	0.187	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.6	169.6	-178.5	5.3	0	0	0	109.6	L573 L575 N576 S598 D617	L573-D596 PolarHBondContact O-N 3.3Å; L575-D596 CarbonylContact C-O 3.5Å; L575-D596 WeakPolarHBondContact CA-O 3.49Å; L575-D596 PolarHBondContact N-O 3.3Å; N576-D596 WeakPolarHBondContact CB-OD1 3.43Å; N576-D596 VanDerWaalsContact CG-OD2 3.29Å; N576-D596 PolarHBondContact N-O 3.37Å; D596-S598 VanDerWaalsContact OD1-CB 3.3Å; D596-S598 WeakPolarHBondContact OD1-CB 3.31Å; D596-S598 PolarHBondContact OD1-N 3.27Å; D596-S598 PolarHBondContact OD1-OG 2.98Å; D596-D617 HydrophobicContact CB-CB 4.32Å
597	I	96.1	Very high	92.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.21	C	C	.	.			trans	-119.4	20.6	177	53.9	171.2	0	0	0	111	L575 L595 N600 L602 F610 L616 D617 M618 N621	L575-I597 HydrophobicContact CB-CG2 4.19Å; L575-I597 HydrophobicContact CD1-CG2 4.43Å; L595-I597 HydrophobicContact CD1-CG2 3.79Å; L595-I597 HydrophobicContact CD2-CG2 3.94Å; L595-I597 HydrophobicContact CG-CG2 3.73Å; I597-N600 PolarHBondContact O-ND2 3.06Å; I597-L602 HydrophobicContact CB-CD1 4.37Å; I597-L602 HydrophobicContact CD1-CD1 3.66Å; I597-L602 HydrophobicContact CG1-CD1 4.36Å; I597-F610 HydrophobicContact CD1-CE1 3.72Å; I597-F610 HydrophobicContact CD1-CZ 3.81Å; I597-L616 HydrophobicContact CD1-CD1 3.92Å; I597-L616 HydrophobicContact CG1-CD1 3.92Å; I597-D617 CarbonylContact C-O 3.57Å; I597-D617 WeakPolarHBondContact CG1-O 3.17Å; I597-D617 PolarHBondContact N-O 3.44Å; I597-M618 HydrophobicContact CD1-CB 4.13Å; I597-M618 HydrophobicContact CG1-CB 3.99Å; I597-N621 PolarHBondContact O-ND2 2.9Å
598	S	96.2	Very high	92.5	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.042	22%	0.224	C	C	.	.			trans	-62.3	155.2	177.5	63.4	0	0	0	0	112.2	N576 A577 D596 N600 D617 R619	N576-S598 CarbonylContact C-O 3.59Å; N576-S598 WeakPolarHBondContact CA-O 3.45Å; N576-S598 WeakPolarHBondContact CB-O 3.48Å; N576-S598 VanDerWaalsContact CB-OG 3.24Å; N576-S598 WeakPolarHBondContact CB-OG 3.24Å; A577-S598 PolarHBondContact N-O 3.5Å; D596-S598 VanDerWaalsContact OD1-CB 3.3Å; D596-S598 WeakPolarHBondContact OD1-CB 3.31Å; D596-S598 PolarHBondContact OD1-N 3.27Å; D596-S598 PolarHBondContact OD1-OG 2.98Å; S598-N600 PolarHBondContact O-N 3.49Å; S598-N600 PolarHBondContact O-ND2 3.43Å; S598-D617 WeakPolarHBondContact CB-OD1 3.13Å; S598-D617 PolarHBondContact N-O 2.82Å; S598-R619 CarbonylContact C-O 3.59Å; S598-R619 WeakPolarHBondContact CA-O 3.4Å; S598-R619 WeakPolarHBondContact CB-O 3.44Å
599	R	95.8	Very high	92.3	Very high	113 Å²	113	38.3 Å²	38.3	43%	0.426	22%	0.219	S	C	.	.	S	Bend	trans	56	45.3	178.9	-57	175.5	-175.4	-93.4	-1.5	112.9	A577 N578 R619 H620	A577-R599 CarbonylContact C-O 3.58Å; A577-R599 WeakPolarHBondContact CA-O 3.31Å; A577-R599 HydrophobicContact CB-CB 4.33Å; A577-R599 PolarHBondContact N-O 2.82Å; N578-R599 PolarHBondContact N-O 3.36Å; R599-R619 PolarHBondContact N-O 2.86Å; R599-H620 WeakPolarHBondContact CA-O 3.45Å; R599-H620 HydrophobicContact CG-CB 3.9Å; R599-H620 PolarHBondContact N-O 2.88Å
600	N	96.7	Very high	92.3	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-113.5	-170.3	171.3	-85.2	-80.2	0	0	0	110.3	L575 N578 R579 L580 I597 S598 L602 N621	L575-N600 PolarHBondContact O-ND2 3.03Å; N578-N600 VanDerWaalsContact CA-OD1 3.29Å; N578-N600 WeakPolarHBondContact CA-OD1 3.36Å; N578-N600 WeakPolarHBondContact CB-OD1 3.42Å; N578-N600 PolarHBondContact N-OD1 3.12Å; N578-N600 PolarHBondContact O-OD1 3.16Å; R579-N600 PolarHBondContact N-OD1 3.16Å; L580-N600 HydrophobicContact CB-CB 4.41Å; L580-N600 WeakPolarHBondContact CB-OD1 3.34Å; L580-N600 PolarHBondContact N-OD1 3.01Å; L580-N600 VanDerWaalsContact N-OD1 3.08Å; I597-N600 PolarHBondContact O-ND2 3.06Å; S598-N600 PolarHBondContact O-N 3.49Å; S598-N600 PolarHBondContact O-ND2 3.43Å; N600-L602 HydrophobicContact CB-CG 4.25Å; N600-N621 VanDerWaalsContact CA-OD1 3.28Å; N600-N621 WeakPolarHBondContact CA-OD1 3.26Å; N600-N621 WeakPolarHBondContact CB-OD1 3.26Å; N600-N621 PolarHBondContact N-OD1 3.18Å; N600-N621 WeakPolarHBondContact O-CA 3.47Å; N600-N621 PolarHBondContact O-OD1 2.05Å
601	Q	94.8	Very high	92.2	Very high	69 Å²	69	37 Å²	37	32%	0.322	21%	0.209	S	C	.	.			trans	-113.8	33.8	-178.2	-58.8	-172.5	-54.9	0	0	111.5	L580 T581 F603 E622	L580-Q601 CarbonylContact O-C 3.37Å; L580-Q601 WeakPolarHBondContact O-CA 3.19Å; L580-Q601 PolarHBondContact O-N 3.41Å; T581-Q601 WeakPolarHBondContact CA-O 3.26Å; T581-Q601 HydrophobicContact CG2-CB 4.24Å; Q601-F603 PolarHBondContact O-N 3.17Å; Q601-E622 PolarHBondContact NE2-OE1 2.95Å
602	L	92.8	Very high	92.1	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	21%	0.214	C	C	.	.			trans	-71.5	124.7	-178.2	-62.1	173.2	0	0	0	110.3	L580 I597 N600 N621 E622 F623	L580-L602 HydrophobicContact CB-CD2 4.38Å; L580-L602 PolarHBondContact O-N 2.81Å; I597-L602 HydrophobicContact CB-CD1 4.37Å; I597-L602 HydrophobicContact CD1-CD1 3.66Å; I597-L602 HydrophobicContact CG1-CD1 4.36Å; N600-L602 HydrophobicContact CB-CG 4.25Å; L602-N621 HydrophobicContact CB-CB 4.29Å; L602-N621 WeakPolarHBondContact CB-OD1 3.21Å; L602-N621 WeakPolarHBondContact CG-OD1 3.49Å; L602-N621 PolarHBondContact N-OD1 2.89Å; L602-E622 CarbonylContact O-C 3.54Å; L602-E622 PolarHBondContact O-N 2.54Å; L602-F623 PolarHBondContact O-N 3.18Å
603	F	90.8	Very high	92	Very high	76 Å²	76	37.1 Å²	37.1	33%	0.333	22%	0.216	S	C	.	.	S	Bend	trans	-101.9	-45.9	-177.4	59.5	-90.3	0	0	0	113.5	T581 T582 Q601 E622 V624	T581-F603 VanDerWaalsContact O-CD1 3.28Å; T581-F603 WeakPolarHBondContact O-CD1 3.44Å; T581-F603 WeakPolarHBondContact O-CE1 3.06Å; T582-F603 HydrophobicContact CG2-CE1 3.54Å; T582-F603 HydrophobicContact CG2-CZ 3.58Å; Q601-F603 PolarHBondContact O-N 3.17Å; F603-E622 WeakPolarHBondContact CA-O 3.08Å; F603-V624 HydrophobicContact CB-CB 4.31Å; F603-V624 HydrophobicContact CB-CG2 3.68Å; F603-V624 PolarHBondContact O-N 2.81Å
604	S	86.4	Confident	92	Very high	39 Å²	39	42.3 Å²	42.3	27%	0.273	23%	0.233	S	C	.	.	S	Bend	trans	-143.4	85.3	178.4	179.7	0	0	0	0	109.7	E628	S604-E628 PolarHBondContact OG-O 3.45Å
605	P	90.2	Very high	92	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.039	23%	0.23	C	C	.	.			trans	-80.5	140.8	-177.4	34.8	-36.5	0	0	0	111.5	P607 F610 F623 F632	P605-P607 WeakPolarHBondContact O-CD 3.41Å; P605-F610 HydrophobicContact CB-CE2 3.76Å; P605-F610 HydrophobicContact CB-CZ 3.9Å; P605-F610 HydrophobicContact CG-CE2 4.25Å; P605-F623 HydrophobicContact CG-CE1 4.08Å; P605-F632 HydrophobicContact CG-CD1 4.03Å; P605-F632 HydrophobicContact CG-CD2 3.76Å; P605-F632 HydrophobicContact CG-CE1 3.91Å; P605-F632 HydrophobicContact CG-CE2 3.68Å; P605-F632 HydrophobicContact CG-CG 3.94Å; P605-F632 HydrophobicContact CG-CZ 3.76Å; P605-F632 WeakPolarHBondContact O-CD2 3.31Å
606	D	88.9	Confident	91.9	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	23%	0.23	S	C	.	.			trans	-72.9	120.3	177.3	-176.2	-14.5	0	0	0	110.8	P585 G608 S609	P585-D606 WeakPolarHBondContact CG-OD2 3.36Å; D606-G608 PolarHBondContact O-N 3.08Å; D606-G608 VanDerWaalsContact O-N 3.13Å; D606-G608 PolarHBondContact OD1-N 3.32Å; D606-S609 WeakPolarHBondContact O-CB 3.38Å; D606-S609 PolarHBondContact O-N 3.38Å; D606-S609 PolarHBondContact O-OG 3.01Å
607	P	87.5	Confident	91.8	Very high	24 Å²	24	40.4 Å²	40.4	16%	0.156	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-51.4	-32.7	174.7	-28.3	36.2	0	0	0	114.8	P605 S609 F610 A611 P631 F632 W635	P605-P607 WeakPolarHBondContact O-CD 3.41Å; P607-S609 PolarHBondContact O-N 3.48Å; P607-F610 PolarHBondContact O-N 3.13Å; P607-F610 VanDerWaalsContact O-N 3.08Å; P607-A611 PolarHBondContact O-N 2.85Å; P607-P631 HydrophobicContact CG-CB 4.45Å; P607-F632 HydrophobicContact CG-CB 4.43Å; P607-F632 HydrophobicContact CG-CD2 4.2Å; P607-W635 HydrophobicContact CB-CB 3.81Å; P607-W635 HydrophobicContact CB-CD2 4.25Å; P607-W635 HydrophobicContact CB-CG 3.67Å; P607-W635 HydrophobicContact CG-CB 3.92Å; P607-W635 HydrophobicContact CG-CG 4.28Å
608	G	87.1	Confident	91.7	Very high	46 Å²	46	40.5 Å²	40.5	47%	0.474	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-59.2	-29.1	179.9	0	0	0	0	0	112.8	D606 F610	D606-G608 PolarHBondContact O-N 3.08Å; D606-G608 VanDerWaalsContact O-N 3.13Å; D606-G608 PolarHBondContact OD1-N 3.32Å; G608-F610 PolarHBondContact O-N 3.11Å
609	S	86.3	Confident	91.6	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-68.4	-19.2	178.5	-54.2	0	0	0	0	113.4	P585 L588 D606 P607	P585-S609 WeakPolarHBondContact CA-OG 3.16Å; L588-S609 WeakPolarHBondContact CD1-O 3.4Å; D606-S609 WeakPolarHBondContact O-CB 3.38Å; D606-S609 PolarHBondContact O-N 3.38Å; D606-S609 PolarHBondContact O-OG 3.01Å; P607-S609 PolarHBondContact O-N 3.48Å
610	F	90.6	Very high	91.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-115.5	-4.1	-171.7	-49.2	-51.8	0	0	0	114.2	L583 L595 I597 P605 P607 G608 S612 L613 L616 F632 W635	L583-F610 HydrophobicContact CD2-CE1 3.76Å; L583-F610 HydrophobicContact CD2-CZ 4.31Å; L595-F610 HydrophobicContact CD2-CD1 4.12Å; L595-F610 HydrophobicContact CD2-CE1 4.08Å; I597-F610 HydrophobicContact CD1-CE1 3.72Å; I597-F610 HydrophobicContact CD1-CZ 3.81Å; P605-F610 HydrophobicContact CB-CE2 3.76Å; P605-F610 HydrophobicContact CB-CZ 3.9Å; P605-F610 HydrophobicContact CG-CE2 4.25Å; P607-F610 PolarHBondContact O-N 3.13Å; P607-F610 VanDerWaalsContact O-N 3.08Å; G608-F610 PolarHBondContact O-N 3.11Å; F610-S612 PolarHBondContact O-N 3.01Å; F610-L613 HydrophobicContact CB-CD1 4.03Å; F610-L613 HydrophobicContact CD1-CD1 3.92Å; F610-L613 HydrophobicContact CG-CD1 4.43Å; F610-L613 WeakPolarHBondContact O-CB 3.13Å; F610-L613 PolarHBondContact O-N 3.37Å; F610-L613 VanDerWaalsContact O-N 3.13Å; F610-L616 HydrophobicContact CB-CD2 4.19Å; F610-L616 HydrophobicContact CD1-CD1 4.27Å; F610-L616 HydrophobicContact CD1-CD2 4.19Å; F610-L616 HydrophobicContact CD2-CD2 4.27Å; F610-L616 HydrophobicContact CG-CD2 3.95Å; F610-F632 HydrophobicContact CD2-CE2 4.07Å; F610-F632 AromaticContact CE2-CE2 3.88Å; F610-F632 HydrophobicContact CE2-CE2 3.88Å; F610-W635 HydrophobicContact CB-CH2 3.81Å; F610-W635 HydrophobicContact CB-CZ2 3.66Å; F610-W635 HydrophobicContact CD2-CH2 4.18Å; F610-W635 HydrophobicContact CD2-CZ3 4.39Å; F610-W635 HydrophobicContact CG-CH2 4.37Å
611	A	84.6	Confident	91.3	Very high	72 Å²	72	40.4 Å²	40.4	60%	0.595	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.8	-170.5	0	0	0	0	0	114.1	P607	P607-A611 PolarHBondContact O-N 2.85Å
612	S	87.5	Confident	91.2	Very high	79 Å²	79	40.4 Å²	40.4	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8	179.8	55.8	0	0	0	0	114.4	F610	F610-S612 PolarHBondContact O-N 3.01Å
613	L	93.3	Very high	91.3	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	22%	0.223	C	C	.	.			trans	-78.4	156.8	-173.1	-62.6	174.4	0	0	0	112.4	L592 L595 F610 L616 V641	L592-L613 HydrophobicContact CB-CD2 4.05Å; L592-L613 HydrophobicContact CD2-CD2 3.85Å; L592-L613 HydrophobicContact CG-CD2 3.8Å; L595-L613 HydrophobicContact CB-CD1 3.68Å; L595-L613 HydrophobicContact CB-CD2 4.03Å; L595-L613 HydrophobicContact CD2-CD1 3.78Å; L595-L613 HydrophobicContact CG-CD1 4.39Å; F610-L613 HydrophobicContact CB-CD1 4.03Å; F610-L613 HydrophobicContact CD1-CD1 3.92Å; F610-L613 HydrophobicContact CG-CD1 4.43Å; F610-L613 WeakPolarHBondContact O-CB 3.13Å; F610-L613 PolarHBondContact O-N 3.37Å; F610-L613 VanDerWaalsContact O-N 3.13Å; L613-L616 HydrophobicContact CD1-CB 4.47Å; L613-L616 HydrophobicContact CD1-CD1 4.02Å; L613-V641 HydrophobicContact CB-CG1 4.22Å; L613-V641 WeakPolarHBondContact O-CG2 3.34Å
614	R	94.9	Very high	91.3	Very high	174 Å²	174	38.1 Å²	38.1	66%	0.657	22%	0.216	S	C	*	.	S	Bend	trans	-100.6	-42	171.2	-174.4	-179	176.1	-174.2	-0.4	111.8	E593 T642	E593-R614 HydrophobicContact CB-CB 4.45Å; E593-R614 WeakPolarHBondContact O-CA 3.21Å; E593-R614 WeakPolarHBondContact O-CB 3.46Å; E593-R614 PolarHBondContact O-N 3.28Å; R614-T642 PolarHBondContact O-N 3.04Å
615	V	96.6	Very high	91.5	Very high	30 Å²	30	36.8 Å²	36.8	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131	-178.6	-176	0	0	0	0	109.3	E593 T594 L595 T642 L644	E593-V615 PolarHBondContact O-N 3.33Å; T594-V615 WeakPolarHBondContact CA-O 3.43Å; T594-V615 HydrophobicContact CG2-CB 4.13Å; T594-V615 HydrophobicContact CG2-CG1 4.3Å; L595-V615 PolarHBondContact N-O 3.04Å; V615-T642 WeakPolarHBondContact CA-O 3.29Å; V615-L644 HydrophobicContact CG1-CD1 3.81Å; V615-L644 HydrophobicContact CG1-CD2 3.97Å; V615-L644 HydrophobicContact CG1-CG 3.7Å
616	L	95.8	Very high	91.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.1	179.4	176.6	65.4	0	0	0	110.3	L595 I597 F610 L613 M618 W635 V641 T642 L643 L644	L595-L616 HydrophobicContact CB-CD1 4.03Å; L595-L616 HydrophobicContact CD2-CD1 4.03Å; L595-L616 HydrophobicContact CG-CD1 4.1Å; L595-L616 WeakPolarHBondContact O-CA 3.37Å; I597-L616 HydrophobicContact CD1-CD1 3.92Å; I597-L616 HydrophobicContact CG1-CD1 3.92Å; F610-L616 HydrophobicContact CB-CD2 4.19Å; F610-L616 HydrophobicContact CD1-CD1 4.27Å; F610-L616 HydrophobicContact CD1-CD2 4.19Å; F610-L616 HydrophobicContact CD2-CD2 4.27Å; F610-L616 HydrophobicContact CG-CD2 3.95Å; L613-L616 HydrophobicContact CD1-CB 4.47Å; L613-L616 HydrophobicContact CD1-CD1 4.02Å; L616-M618 HydrophobicContact CD2-CG 4.35Å; L616-M618 HydrophobicContact CD2-SD 3.89Å; L616-M618 HydrophobicContact CG-CB 4.48Å; L616-M618 HydrophobicContact CG-CG 4.27Å; L616-M618 HydrophobicContact CG-SD 4.45Å; L616-W635 HydrophobicContact CD2-CH2 3.84Å; L616-W635 HydrophobicContact CD2-CZ3 4.37Å; L616-V641 HydrophobicContact CB-CG1 3.68Å; L616-T642 PolarHBondContact N-O 3.29Å; L616-L643 HydrophobicContact CB-CD2 4.09Å; L616-L643 HydrophobicContact CD2-CD2 3.95Å; L616-L643 HydrophobicContact CG-CD2 4.16Å; L616-L643 WeakPolarHBondContact O-CA 3.39Å; L616-L644 PolarHBondContact O-N 2.95Å
617	D	96	Very high	91.2	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125	165.5	-166.5	-13.3	0	0	0	109.6	L595 D596 I597 S598 R619 L644	L595-D617 PolarHBondContact O-N 3.42Å; D596-D617 HydrophobicContact CB-CB 4.32Å; I597-D617 CarbonylContact C-O 3.57Å; I597-D617 WeakPolarHBondContact CG1-O 3.17Å; I597-D617 PolarHBondContact N-O 3.44Å; S598-D617 WeakPolarHBondContact CB-OD1 3.13Å; S598-D617 PolarHBondContact N-O 2.82Å; D617-R619 WeakPolarHBondContact OD1-CB 3.27Å; D617-R619 VanDerWaalsContact OD1-CG 3.29Å; D617-R619 WeakPolarHBondContact OD1-CG 3.37Å; D617-R619 IonicContact OD1-CZ 3.18Å; D617-R619 PolarHBondContact OD1-N 2.99Å; D617-R619 VanDerWaalsContact OD1-N 3.13Å; D617-R619 IonicContact OD1-NE 2.91Å; D617-R619 PolarHBondContact OD1-NE 2.85Å; D617-R619 IonicContact OD1-NH2 3.01Å; D617-R619 IonicContact OD2-CZ 3.97Å; D617-R619 IonicContact OD2-NE 3.13Å; D617-R619 PolarHBondContact OD2-NE 2.85Å; D617-R619 VanDerWaalsContact OD2-NE 3.16Å; D617-R619 IonicContact OD2-NH2 3.95Å; D617-R619 PolarHBondContact OD2-NH2 3.23Å; D617-L644 HydrophobicContact CB-CB 4.05Å; D617-L644 HydrophobicContact CB-CD1 4.15Å; D617-L644 HydrophobicContact CB-CG 4.49Å
618	M	93.6	Very high	91.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.02	25%	0.247	C	C	.	.			trans	-140.2	18.7	-176	51	172.5	-69.5	0	0	111.5	I597 L616 N621 F623 F632 L636 L643 L650	I597-M618 HydrophobicContact CD1-CB 4.13Å; I597-M618 HydrophobicContact CG1-CB 3.99Å; L616-M618 HydrophobicContact CD2-CG 4.35Å; L616-M618 HydrophobicContact CD2-SD 3.89Å; L616-M618 HydrophobicContact CG-CB 4.48Å; L616-M618 HydrophobicContact CG-CG 4.27Å; L616-M618 HydrophobicContact CG-SD 4.45Å; M618-N621 PolarHBondContact O-ND2 3.34Å; M618-F623 HydrophobicContact CE-CE1 3.8Å; M618-F623 HydrophobicContact CE-CE2 3.83Å; M618-F623 HydrophobicContact CE-CZ 3.14Å; M618-F632 HydrophobicContact CE-CE1 3.42Å; M618-F632 VanDerWaalsContact CE-CE1 3.42Å; M618-F632 HydrophobicContact CE-CZ 3.24Å; M618-F632 HydrophobicContact SD-CE1 4.39Å; M618-F632 HydrophobicContact SD-CZ 3.68Å; M618-L636 HydrophobicContact SD-CD2 4.2Å; M618-L643 HydrophobicContact CG-CD2 4.25Å; M618-L643 HydrophobicContact SD-CD2 3.9Å; M618-L650 HydrophobicContact CE-CD1 4.49Å; M618-L650 HydrophobicContact CE-CD2 3.98Å; M618-L650 HydrophobicContact CG-CD2 3.86Å
619	R	93.8	Very high	91.2	Very high	56 Å²	56	43.2 Å²	43.2	21%	0.211	22%	0.224	C	C	.	.			trans	-61.3	153.4	179.4	-65.7	177.6	-70.8	171.3	0.5	111.9	S598 R599 D617 N621 L644 D649 L650	S598-R619 CarbonylContact C-O 3.59Å; S598-R619 WeakPolarHBondContact CA-O 3.4Å; S598-R619 WeakPolarHBondContact CB-O 3.44Å; R599-R619 PolarHBondContact N-O 2.86Å; D617-R619 WeakPolarHBondContact OD1-CB 3.27Å; D617-R619 VanDerWaalsContact OD1-CG 3.29Å; D617-R619 WeakPolarHBondContact OD1-CG 3.37Å; D617-R619 IonicContact OD1-CZ 3.18Å; D617-R619 PolarHBondContact OD1-N 2.99Å; D617-R619 VanDerWaalsContact OD1-N 3.13Å; D617-R619 IonicContact OD1-NE 2.91Å; D617-R619 PolarHBondContact OD1-NE 2.85Å; D617-R619 IonicContact OD1-NH2 3.01Å; D617-R619 IonicContact OD2-CZ 3.97Å; D617-R619 IonicContact OD2-NE 3.13Å; D617-R619 PolarHBondContact OD2-NE 2.85Å; D617-R619 VanDerWaalsContact OD2-NE 3.16Å; D617-R619 IonicContact OD2-NH2 3.95Å; D617-R619 PolarHBondContact OD2-NH2 3.23Å; R619-N621 PolarHBondContact O-N 3.46Å; R619-L644 WeakPolarHBondContact CD-O 3.39Å; R619-D649 HydrophobicContact CB-CB 4.27Å; R619-D649 HydrophobicContact CG-CB 3.67Å; R619-L650 HydrophobicContact CG-CD2 4.48Å
620	H	92.7	Very high	91.3	Very high	61 Å²	61	43.9 Å²	43.9	28%	0.282	23%	0.229	S	C	.	.	S	Bend	trans	55.2	48.4	175.6	-54	-62.8	0	0	0	113.6	R599 Y651	R599-H620 WeakPolarHBondContact CA-O 3.45Å; R599-H620 HydrophobicContact CG-CB 3.9Å; R599-H620 PolarHBondContact N-O 2.88Å; H620-Y651 AromaticContact ND1-CE1 3.86Å; H620-Y651 PolarHBondContact ND1-OH 3.31Å
621	N	94.2	Very high	91.3	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	25%	0.254	C	S	.	.			trans	-102.7	170	169.4	-88	-79.9	0	0	0	110.9	I597 N600 L602 M618 R619 F623	I597-N621 PolarHBondContact O-ND2 2.9Å; N600-N621 VanDerWaalsContact CA-OD1 3.28Å; N600-N621 WeakPolarHBondContact CA-OD1 3.26Å; N600-N621 WeakPolarHBondContact CB-OD1 3.26Å; N600-N621 PolarHBondContact N-OD1 3.18Å; N600-N621 WeakPolarHBondContact O-CA 3.47Å; N600-N621 PolarHBondContact O-OD1 2.05Å; L602-N621 HydrophobicContact CB-CB 4.29Å; L602-N621 WeakPolarHBondContact CB-OD1 3.21Å; L602-N621 WeakPolarHBondContact CG-OD1 3.49Å; L602-N621 PolarHBondContact N-OD1 2.89Å; M618-N621 PolarHBondContact O-ND2 3.34Å; R619-N621 PolarHBondContact O-N 3.46Å; N621-F623 HydrophobicContact CB-CD2 4.17Å; N621-F623 HydrophobicContact CB-CE1 4Å; N621-F623 HydrophobicContact CB-CE2 3.6Å; N621-F623 HydrophobicContact CB-CZ 3.47Å; N621-F623 VanDerWaalsContact CB-CZ 3.47Å; N621-F623 PolarHBondContact O-N 3.1Å
622	E	92.6	Very high	91.6	Very high	70 Å²	70	44.3 Å²	44.3	33%	0.327	23%	0.226	S	C	.	.			trans	-95.3	54.5	-176.7	-64.6	-175.4	-170.2	0	0	112.2	Q601 L602 F603 V624 M653	Q601-E622 PolarHBondContact NE2-OE1 2.95Å; L602-E622 CarbonylContact O-C 3.54Å; L602-E622 PolarHBondContact O-N 2.54Å; F603-E622 WeakPolarHBondContact CA-O 3.08Å; E622-V624 PolarHBondContact O-N 2.56Å; E622-M653 HydrophobicContact CB-CB 4.31Å; E622-M653 HydrophobicContact CB-CG 4.31Å; E622-M653 HydrophobicContact CG-CG 4.37Å
623	F	93.1	Very high	91.7	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.201	C	C	.	.			trans	-60.7	129.4	-175.5	-62	-62.3	0	0	0	112.6	L602 P605 M618 N621 L629 F632 L650 M653 Y654 L663	L602-F623 PolarHBondContact O-N 3.18Å; P605-F623 HydrophobicContact CG-CE1 4.08Å; M618-F623 HydrophobicContact CE-CE1 3.8Å; M618-F623 HydrophobicContact CE-CE2 3.83Å; M618-F623 HydrophobicContact CE-CZ 3.14Å; N621-F623 HydrophobicContact CB-CD2 4.17Å; N621-F623 HydrophobicContact CB-CE1 4Å; N621-F623 HydrophobicContact CB-CE2 3.6Å; N621-F623 HydrophobicContact CB-CZ 3.47Å; N621-F623 VanDerWaalsContact CB-CZ 3.47Å; N621-F623 PolarHBondContact O-N 3.1Å; F623-L629 HydrophobicContact CB-CD2 4.2Å; F623-L629 HydrophobicContact CD1-CD1 4.48Å; F623-F632 HydrophobicContact CE1-CE1 4.24Å; F623-L650 HydrophobicContact CE2-CD2 4.24Å; F623-M653 PolarHBondContact O-N 2.93Å; F623-Y654 PolarHBondContact O-N 2.96Å; F623-L663 HydrophobicContact CB-CD2 4.21Å; F623-L663 HydrophobicContact CD2-CD1 3.76Å; F623-L663 HydrophobicContact CD2-CD2 4.48Å; F623-L663 HydrophobicContact CD2-CG 4.44Å; F623-L663 HydrophobicContact CE2-CD1 4.04Å; F623-L663 HydrophobicContact CG-CD1 4.07Å; F623-L663 HydrophobicContact CG-CD2 4.49Å
624	V	92.3	Very high	91.5	Very high	30 Å²	30	42.9 Å²	42.9	18%	0.182	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-96.3	100.8	175	177.3	0	0	0	0	108.2	F603 E622 Q626 L629 Y654	F603-V624 HydrophobicContact CB-CB 4.31Å; F603-V624 HydrophobicContact CB-CG2 3.68Å; F603-V624 PolarHBondContact O-N 2.81Å; E622-V624 PolarHBondContact O-N 2.56Å; V624-Q626 HydrophobicContact CG1-CB 4.28Å; V624-Q626 HydrophobicContact CG1-CG 3.83Å; V624-Q626 PolarHBondContact O-N 2.85Å; V624-L629 WeakPolarHBondContact O-CB 3.47Å; V624-Y654 HydrophobicContact CG2-CD2 4.18Å
625	C	90.5	Very high	91.4	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.074	19%	0.189	C	C	.	.			trans	-80.5	62.9	-176	-65.4	0	0	0	0	112.3	C652 Y654 L658 L663 I666	C625-C652 HydrophobicContact CB-CB 3.78Å; C625-C652 WeakPolarHBondContact CB-SG 3.09Å; C625-C652 WeakPolarHBondContact SG-CA 3.49Å; C625-C652 WeakPolarHBondContact SG-CB 3.39Å; C625-C652 CovalentContact SG-SG 2.01Å; C625-C652 PolarHBondContact SG-SG 3.3Å; C625-Y654 WeakPolarHBondContact CB-O 3.35Å; C625-Y654 PolarHBondContact N-O 2.89Å; C625-L658 HydrophobicContact CB-CD1 4.08Å; C625-L663 WeakPolarHBondContact SG-CD2 3.35Å; C625-I666 HydrophobicContact CB-CD1 3.87Å; C625-I666 WeakPolarHBondContact SG-CD1 3.5Å
626	Q	87	Confident	91.1	Very high	103 Å²	103	35.3 Å²	35.3	48%	0.481	18%	0.183	S	C	.	.	S	Bend	trans	-113.7	-179.3	170.5	-64.6	-180	0.6	0	0	109.5	V624 E628 L629	V624-Q626 HydrophobicContact CG1-CB 4.28Å; V624-Q626 HydrophobicContact CG1-CG 3.83Å; V624-Q626 PolarHBondContact O-N 2.85Å; Q626-E628 PolarHBondContact O-N 3.28Å; Q626-E628 VanDerWaalsContact O-N 3.14Å; Q626-L629 WeakPolarHBondContact O-CB 3.43Å; Q626-L629 PolarHBondContact O-N 2.77Å
627	C	85.1	Confident	90.7	Very high	52 Å²	52	40.1 Å²	40.1	35%	0.351	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.4	-21.3	-177.1	-67.6	0	0	0	0	114.4	L629 S630 C671	C627-L629 PolarHBondContact O-N 3.19Å; C627-S630 WeakPolarHBondContact O-CB 3.48Å; C627-S630 PolarHBondContact O-N 3.09Å; C627-C671 WeakPolarHBondContact CA-SG 3.15Å; C627-C671 HydrophobicContact CB-CB 3.67Å; C627-C671 WeakPolarHBondContact CB-SG 3.18Å; C627-C671 WeakPolarHBondContact SG-CA 3.32Å; C627-C671 WeakPolarHBondContact SG-CB 3.19Å; C627-C671 CovalentContact SG-SG 2.06Å; C627-C671 PolarHBondContact SG-SG 2.88Å
628	E	85.3	Confident	90.5	Very high	135 Å²	135	46.8 Å²	46.8	63%	0.631	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.2	-25.8	171.4	-63.4	-176.8	176.1	0	0	113.3	S604 Q626 S630 P631	S604-E628 PolarHBondContact OG-O 3.45Å; Q626-E628 PolarHBondContact O-N 3.28Å; Q626-E628 VanDerWaalsContact O-N 3.14Å; E628-S630 VanDerWaalsContact C-N 3.33Å; E628-P631 WeakPolarHBondContact O-CD 3.48Å
629	L	89.8	Confident	90.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-85.4	-6.6	177.3	-163.7	67.3	0	0	0	112.6	F623 V624 Q626 C627 P631 F632 I633 L663	F623-L629 HydrophobicContact CB-CD2 4.2Å; F623-L629 HydrophobicContact CD1-CD1 4.48Å; V624-L629 WeakPolarHBondContact O-CB 3.47Å; Q626-L629 WeakPolarHBondContact O-CB 3.43Å; Q626-L629 PolarHBondContact O-N 2.77Å; C627-L629 PolarHBondContact O-N 3.19Å; L629-P631 VanDerWaalsContact C-CD 3.48Å; L629-F632 HydrophobicContact CD1-CB 3.91Å; L629-F632 HydrophobicContact CD1-CD1 3.8Å; L629-F632 HydrophobicContact CD1-CG 4.19Å; L629-F632 HydrophobicContact CG-CB 4.32Å; L629-F632 HydrophobicContact CG-CD1 4.33Å; L629-F632 WeakPolarHBondContact O-CA 3.45Å; L629-F632 WeakPolarHBondContact O-CB 3.47Å; L629-F632 PolarHBondContact O-N 2.76Å; L629-I633 HydrophobicContact CB-CD1 4.4Å; L629-I633 HydrophobicContact CD2-CD1 4.22Å; L629-I633 HydrophobicContact CD2-CG1 4.29Å; L629-I633 HydrophobicContact CG-CD1 4.25Å; L629-I633 HydrophobicContact CG-CG1 4.15Å; L629-I633 PolarHBondContact O-N 3.43Å; L629-L663 HydrophobicContact CD2-CD2 4.13Å
630	S	88.8	Confident	90.2	Very high	20 Å²	20	53.2 Å²	53.2	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-53.2	-46.7	-177	-176.8	0	0	0	0	113.5	C627 E628 F632 I633 V634	C627-S630 WeakPolarHBondContact O-CB 3.48Å; C627-S630 PolarHBondContact O-N 3.09Å; E628-S630 VanDerWaalsContact C-N 3.33Å; S630-F632 PolarHBondContact O-N 3Å; S630-I633 PolarHBondContact O-N 2.76Å; S630-V634 WeakPolarHBondContact O-CG2 3.42Å; S630-V634 PolarHBondContact O-N 2.69Å
631	P	89.3	Confident	90.2	Very high	79 Å²	79	51 Å²	51	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-35.5	177.3	-23.3	34.7	0	0	0	112.8	P607 E628 L629 W635	P607-P631 HydrophobicContact CG-CB 4.45Å; E628-P631 WeakPolarHBondContact O-CD 3.48Å; L629-P631 VanDerWaalsContact C-CD 3.48Å; P631-W635 WeakPolarHBondContact O-CB 3.23Å; P631-W635 PolarHBondContact O-N 3.26Å; P631-W635 VanDerWaalsContact O-N 3.08Å
632	F	90.9	Very high	90.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-74.3	-41.1	179.9	-172.8	-108.9	0	0	0	112.9	P605 P607 F610 M618 F623 L629 S630 V634 W635 L636 L663	P605-F632 HydrophobicContact CG-CD1 4.03Å; P605-F632 HydrophobicContact CG-CD2 3.76Å; P605-F632 HydrophobicContact CG-CE1 3.91Å; P605-F632 HydrophobicContact CG-CE2 3.68Å; P605-F632 HydrophobicContact CG-CG 3.94Å; P605-F632 HydrophobicContact CG-CZ 3.76Å; P605-F632 WeakPolarHBondContact O-CD2 3.31Å; P607-F632 HydrophobicContact CG-CB 4.43Å; P607-F632 HydrophobicContact CG-CD2 4.2Å; F610-F632 HydrophobicContact CD2-CE2 4.07Å; F610-F632 AromaticContact CE2-CE2 3.88Å; F610-F632 HydrophobicContact CE2-CE2 3.88Å; M618-F632 HydrophobicContact CE-CE1 3.42Å; M618-F632 VanDerWaalsContact CE-CE1 3.42Å; M618-F632 HydrophobicContact CE-CZ 3.24Å; M618-F632 HydrophobicContact SD-CE1 4.39Å; M618-F632 HydrophobicContact SD-CZ 3.68Å; F623-F632 HydrophobicContact CE1-CE1 4.24Å; L629-F632 HydrophobicContact CD1-CB 3.91Å; L629-F632 HydrophobicContact CD1-CD1 3.8Å; L629-F632 HydrophobicContact CD1-CG 4.19Å; L629-F632 HydrophobicContact CG-CB 4.32Å; L629-F632 HydrophobicContact CG-CD1 4.33Å; L629-F632 WeakPolarHBondContact O-CA 3.45Å; L629-F632 WeakPolarHBondContact O-CB 3.47Å; L629-F632 PolarHBondContact O-N 2.76Å; S630-F632 PolarHBondContact O-N 3Å; F632-V634 VanDerWaalsContact C-N 3.33Å; F632-V634 PolarHBondContact O-N 3.39Å; F632-W635 HydrophobicContact CD2-CE3 4.02Å; F632-W635 AromaticContact CE2-CE3 3.57Å; F632-W635 HydrophobicContact CE2-CE3 3.57Å; F632-W635 AromaticContact CE2-CZ3 3.65Å; F632-W635 HydrophobicContact CE2-CZ3 3.65Å; F632-W635 HydrophobicContact CZ-CE3 4.2Å; F632-W635 HydrophobicContact CZ-CZ3 4.05Å; F632-W635 WeakPolarHBondContact O-CB 3.4Å; F632-W635 PolarHBondContact O-N 2.94Å; F632-L636 HydrophobicContact CD1-CD1 3.89Å; F632-L636 HydrophobicContact CD1-CG 4.23Å; F632-L636 HydrophobicContact CE1-CD1 3.54Å; F632-L636 HydrophobicContact CE1-CD2 4.16Å; F632-L636 HydrophobicContact CE1-CG 3.84Å; F632-L636 HydrophobicContact CZ-CD1 4.18Å; F632-L636 HydrophobicContact CZ-CD2 3.95Å; F632-L636 HydrophobicContact CZ-CG 4Å; F632-L636 WeakPolarHBondContact O-CG 3.29Å; F632-L636 PolarHBondContact O-N 3.32Å; F632-L663 HydrophobicContact CE1-CD1 4.42Å
633	I	89.8	Confident	90.1	Very high	5 Å²	5	53 Å²	53	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-40.6	174.8	-63.1	165.1	0	0	0	110.8	L629 S630 W635 L636 N637 I666 T668	L629-I633 HydrophobicContact CB-CD1 4.4Å; L629-I633 HydrophobicContact CD2-CD1 4.22Å; L629-I633 HydrophobicContact CD2-CG1 4.29Å; L629-I633 HydrophobicContact CG-CD1 4.25Å; L629-I633 HydrophobicContact CG-CG1 4.15Å; L629-I633 PolarHBondContact O-N 3.43Å; S630-I633 PolarHBondContact O-N 2.76Å; I633-W635 VanDerWaalsContact C-N 3.32Å; I633-W635 PolarHBondContact O-N 3.18Å; I633-L636 PolarHBondContact O-N 3.28Å; I633-N637 PolarHBondContact O-N 3.32Å; I633-N637 PolarHBondContact O-ND2 3.33Å; I633-I666 HydrophobicContact CD1-CB 4.16Å; I633-I666 HydrophobicContact CD1-CD1 3.9Å; I633-I666 HydrophobicContact CD1-CG2 3.91Å; I633-T668 HydrophobicContact CB-CG2 3.91Å; I633-T668 HydrophobicContact CD1-CG2 4.02Å; I633-T668 HydrophobicContact CG2-CG2 3.75Å
634	V	89.7	Confident	89.9	Confident	58 Å²	58	56.9 Å²	56.9	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.7	172.6	0	0	0	0	110.7	S630 F632 N637 Q638	S630-V634 WeakPolarHBondContact O-CG2 3.42Å; S630-V634 PolarHBondContact O-N 2.69Å; F632-V634 VanDerWaalsContact C-N 3.33Å; F632-V634 PolarHBondContact O-N 3.39Å; V634-N637 PolarHBondContact O-N 3.24Å; V634-Q638 WeakPolarHBondContact O-CG 3.34Å; V634-Q638 PolarHBondContact O-N 2.97Å
635	W	92.1	Very high	89.4	Confident	35 Å²	35	57.7 Å²	57.7	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-44.9	175.4	176.6	86.6	0	0	0	112.5	P607 F610 L616 P631 F632 I633 N637 Q638 T639 V641	P607-W635 HydrophobicContact CB-CB 3.81Å; P607-W635 HydrophobicContact CB-CD2 4.25Å; P607-W635 HydrophobicContact CB-CG 3.67Å; P607-W635 HydrophobicContact CG-CB 3.92Å; P607-W635 HydrophobicContact CG-CG 4.28Å; F610-W635 HydrophobicContact CB-CH2 3.81Å; F610-W635 HydrophobicContact CB-CZ2 3.66Å; F610-W635 HydrophobicContact CD2-CH2 4.18Å; F610-W635 HydrophobicContact CD2-CZ3 4.39Å; F610-W635 HydrophobicContact CG-CH2 4.37Å; L616-W635 HydrophobicContact CD2-CH2 3.84Å; L616-W635 HydrophobicContact CD2-CZ3 4.37Å; P631-W635 WeakPolarHBondContact O-CB 3.23Å; P631-W635 PolarHBondContact O-N 3.26Å; P631-W635 VanDerWaalsContact O-N 3.08Å; F632-W635 HydrophobicContact CD2-CE3 4.02Å; F632-W635 AromaticContact CE2-CE3 3.57Å; F632-W635 HydrophobicContact CE2-CE3 3.57Å; F632-W635 AromaticContact CE2-CZ3 3.65Å; F632-W635 HydrophobicContact CE2-CZ3 3.65Å; F632-W635 HydrophobicContact CZ-CE3 4.2Å; F632-W635 HydrophobicContact CZ-CZ3 4.05Å; F632-W635 WeakPolarHBondContact O-CB 3.4Å; F632-W635 PolarHBondContact O-N 2.94Å; I633-W635 VanDerWaalsContact C-N 3.32Å; I633-W635 PolarHBondContact O-N 3.18Å; W635-N637 PolarHBondContact O-N 2.93Å; W635-Q638 CarbonylContact O-C 3.4Å; W635-Q638 PolarHBondContact O-N 2.9Å; W635-T639 HydrophobicContact CH2-CG2 4.33Å; W635-T639 HydrophobicContact CZ2-CG2 4.41Å; W635-T639 WeakPolarHBondContact CZ2-OG1 3.44Å; W635-T639 HydrophobicContact CZ3-CG2 4.4Å; W635-T639 VanDerWaalsContact O-CB 3.25Å; W635-T639 WeakPolarHBondContact O-CB 3.22Å; W635-T639 PolarHBondContact O-N 3.27Å; W635-V641 HydrophobicContact CZ2-CB 4.45Å; W635-V641 HydrophobicContact CZ2-CG2 3.97Å
636	L	90.6	Very high	89.1	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-34.9	178.6	-78.3	174.9	0	0	0	113.1	M618 F632 I633 Q638 L643 L663	M618-L636 HydrophobicContact SD-CD2 4.2Å; F632-L636 HydrophobicContact CD1-CD1 3.89Å; F632-L636 HydrophobicContact CD1-CG 4.23Å; F632-L636 HydrophobicContact CE1-CD1 3.54Å; F632-L636 HydrophobicContact CE1-CD2 4.16Å; F632-L636 HydrophobicContact CE1-CG 3.84Å; F632-L636 HydrophobicContact CZ-CD1 4.18Å; F632-L636 HydrophobicContact CZ-CD2 3.95Å; F632-L636 HydrophobicContact CZ-CG 4Å; F632-L636 WeakPolarHBondContact O-CG 3.29Å; F632-L636 PolarHBondContact O-N 3.32Å; I633-L636 PolarHBondContact O-N 3.28Å; L636-Q638 VanDerWaalsContact C-N 3.35Å; L636-L643 HydrophobicContact CD2-CD1 3.66Å; L636-L663 HydrophobicContact CD1-CB 4.16Å; L636-L663 HydrophobicContact CD1-CD1 3.75Å
637	N	88.4	Confident	88.9	Confident	102 Å²	102	58.3 Å²	58.3	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-78.3	-17.3	178.7	-77.3	-32.2	0	0	0	113.9	I633 V634 W635	I633-N637 PolarHBondContact O-N 3.32Å; I633-N637 PolarHBondContact O-ND2 3.33Å; V634-N637 PolarHBondContact O-N 3.24Å; W635-N637 PolarHBondContact O-N 2.93Å
638	Q	90.8	Very high	88.9	Confident	145 Å²	145	60.4 Å²	60.4	68%	0.678	35%	0.346	S	S	*	.	H	α-helix	trans	-117.8	-9.2	-173.5	-63.6	178.6	2.6	0	0	113.5	V634 W635 L636	V634-Q638 WeakPolarHBondContact O-CG 3.34Å; V634-Q638 PolarHBondContact O-N 2.97Å; W635-Q638 CarbonylContact O-C 3.4Å; W635-Q638 PolarHBondContact O-N 2.9Å; L636-Q638 VanDerWaalsContact C-N 3.35Å
639	T	91.3	Very high	89	Confident	29 Å²	29	55.9 Å²	55.9	18%	0.178	33%	0.326	C	S	.	.			trans	-68.3	141.9	-173	-170.1	0	0	0	0	112.2	W635 V641 L643	W635-T639 HydrophobicContact CH2-CG2 4.33Å; W635-T639 HydrophobicContact CZ2-CG2 4.41Å; W635-T639 WeakPolarHBondContact CZ2-OG1 3.44Å; W635-T639 HydrophobicContact CZ3-CG2 4.4Å; W635-T639 VanDerWaalsContact O-CB 3.25Å; W635-T639 WeakPolarHBondContact O-CB 3.22Å; W635-T639 PolarHBondContact O-N 3.27Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 WeakPolarHBondContact OG1-CB 3.34Å; T639-V641 VanDerWaalsContact OG1-CG2 3.29Å; T639-V641 WeakPolarHBondContact OG1-CG2 3.41Å; T639-V641 PolarHBondContact OG1-N 3.14Å; T639-L643 HydrophobicContact CG2-CD1 4.35Å
640	N	90.1	Very high	89.1	Confident	166 Å²	166	56.2 Å²	56.2	89%	0.888	33%	0.328	S	S	*	.			trans	-92.2	0.1	170.4	-67.4	-39	0	0	0	112.1
641	V	92.1	Very high	89.3	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	33%	0.334	C	S	.	.	S	Bend	trans	-71.9	132.9	177.7	-176.2	0	0	0	0	109.1	L613 L616 W635 T639 L643	L613-V641 HydrophobicContact CB-CG1 4.22Å; L613-V641 WeakPolarHBondContact O-CG2 3.34Å; L616-V641 HydrophobicContact CB-CG1 3.68Å; W635-V641 HydrophobicContact CZ2-CB 4.45Å; W635-V641 HydrophobicContact CZ2-CG2 3.97Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 WeakPolarHBondContact OG1-CB 3.34Å; T639-V641 VanDerWaalsContact OG1-CG2 3.29Å; T639-V641 WeakPolarHBondContact OG1-CG2 3.41Å; T639-V641 PolarHBondContact OG1-N 3.14Å; V641-L643 PolarHBondContact O-N 3.13Å
642	T	93.3	Very high	89.4	Confident	82 Å²	82	54.6 Å²	54.6	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	107.6	176	-56.8	0	0	0	0	109.3	R614 V615 L616	R614-T642 PolarHBondContact O-N 3.04Å; V615-T642 WeakPolarHBondContact CA-O 3.29Å; L616-T642 PolarHBondContact N-O 3.29Å
643	L	92.3	Very high	89.5	Confident	36 Å²	36	57.4 Å²	57.4	19%	0.188	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	174.9	-64.8	167.4	0	0	0	110	L616 M618 L636 T639 V641 Y664	L616-L643 HydrophobicContact CB-CD2 4.09Å; L616-L643 HydrophobicContact CD2-CD2 3.95Å; L616-L643 HydrophobicContact CG-CD2 4.16Å; L616-L643 WeakPolarHBondContact O-CA 3.39Å; M618-L643 HydrophobicContact CG-CD2 4.25Å; M618-L643 HydrophobicContact SD-CD2 3.9Å; L636-L643 HydrophobicContact CD2-CD1 3.66Å; T639-L643 HydrophobicContact CG2-CD1 4.35Å; V641-L643 PolarHBondContact O-N 3.13Å; L643-Y664 VanDerWaalsContact CD1-OH 3.27Å; L643-Y664 WeakPolarHBondContact CD1-OH 3.38Å
644	L	88.3	Confident	89.5	Confident	81 Å²	81	62 Å²	62	42%	0.424	34%	0.341	S	S	.	.			trans	-82.2	134.8	177.1	-66.8	-177	0	0	0	111.3	V615 L616 D617 R619	V615-L644 HydrophobicContact CG1-CD1 3.81Å; V615-L644 HydrophobicContact CG1-CD2 3.97Å; V615-L644 HydrophobicContact CG1-CG 3.7Å; L616-L644 PolarHBondContact O-N 2.95Å; D617-L644 HydrophobicContact CB-CB 4.05Å; D617-L644 HydrophobicContact CB-CD1 4.15Å; D617-L644 HydrophobicContact CB-CG 4.49Å; R619-L644 WeakPolarHBondContact CD-O 3.39Å
645	G	82.9	Confident	89.5	Confident	48 Å²	48	61.3 Å²	61.3	50%	0.495	34%	0.337	S	S	.	.	S	Bend	trans	109.9	-177.5	179.3	0	0	0	0	0	115
646	S	83	Confident	89.4	Confident	55 Å²	55	65.9 Å²	65.9	39%	0.385	36%	0.364	S	S	.	.			trans	-82.9	149.8	168.5	173.6	0	0	0	0	109.6	T648 D649	S646-T648 VanDerWaalsContact CB-OG1 3.31Å; S646-T648 WeakPolarHBondContact CB-OG1 3.44Å; S646-T648 PolarHBondContact O-N 3.23Å; S646-T648 PolarHBondContact OG-N 3.27Å; S646-T648 PolarHBondContact OG-OG1 3.4Å; S646-D649 PolarHBondContact N-OD2 3.4Å; S646-D649 WeakPolarHBondContact O-CB 3.4Å; S646-D649 PolarHBondContact O-N 2.86Å
647	P	82.6	Confident	89.4	Confident	71 Å²	71	70.3 Å²	70.3	46%	0.461	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-49.3	-28.8	169.3	-30.5	37.7	0	0	0	114.2	D649 L650 S662 Y664	P647-D649 PolarHBondContact O-N 3.14Å; P647-L650 PolarHBondContact O-N 3.06Å; P647-S662 PolarHBondContact O-OG 3.31Å; P647-Y664 HydrophobicContact CB-CD2 3.6Å; P647-Y664 HydrophobicContact CB-CE2 3.72Å; P647-Y664 HydrophobicContact CB-CG 4.43Å; P647-Y664 HydrophobicContact CG-CE2 4.37Å
648	T	85.4	Confident	89.4	Confident	96 Å²	96	68.1 Å²	68.1	59%	0.589	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-68.7	-17.7	177.2	54.6	0	0	0	0	114.4	S646 L650	S646-T648 VanDerWaalsContact CB-OG1 3.31Å; S646-T648 WeakPolarHBondContact CB-OG1 3.44Å; S646-T648 PolarHBondContact O-N 3.23Å; S646-T648 PolarHBondContact OG-N 3.27Å; S646-T648 PolarHBondContact OG-OG1 3.4Å; T648-L650 PolarHBondContact O-N 2.72Å
649	D	87.3	Confident	89.5	Confident	41 Å²	41	66 Å²	66	22%	0.219	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-82.7	-7.7	-178.1	-56.5	-25.9	0	0	0	112.2	R619 S646 P647	R619-D649 HydrophobicContact CB-CB 4.27Å; R619-D649 HydrophobicContact CG-CB 3.67Å; S646-D649 PolarHBondContact N-OD2 3.4Å; S646-D649 WeakPolarHBondContact O-CB 3.4Å; S646-D649 PolarHBondContact O-N 2.86Å; P647-D649 PolarHBondContact O-N 3.14Å
650	L	91.7	Very high	89.4	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.037	39%	0.394	C	S	.	.	S	Bend	trans	-107.9	97.8	174.1	-61.1	-179.7	0	0	0	109	M618 R619 F623 P647 T648 S662 L663 Y664	M618-L650 HydrophobicContact CE-CD1 4.49Å; M618-L650 HydrophobicContact CE-CD2 3.98Å; M618-L650 HydrophobicContact CG-CD2 3.86Å; R619-L650 HydrophobicContact CG-CD2 4.48Å; F623-L650 HydrophobicContact CE2-CD2 4.24Å; P647-L650 PolarHBondContact O-N 3.06Å; T648-L650 PolarHBondContact O-N 2.72Å; L650-S662 CarbonylContact O-C 3.23Å; L650-S662 VanDerWaalsContact O-CA 3.31Å; L650-S662 WeakPolarHBondContact O-CA 3.4Å; L650-L663 HydrophobicContact CB-CB 4.47Å; L650-L663 HydrophobicContact CB-CD1 4.11Å; L650-L663 HydrophobicContact CB-CG 4.16Å; L650-L663 PolarHBondContact O-N 2.84Å; L650-Y664 HydrophobicContact CD1-CE2 4.13Å
651	Y	92.7	Very high	89.4	Confident	65 Å²	65	61.7 Å²	61.7	26%	0.255	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-129.4	157.2	-175.2	57.3	-91.6	0	0	0	112.3	H620 V661	H620-Y651 AromaticContact ND1-CE1 3.86Å; H620-Y651 PolarHBondContact ND1-OH 3.31Å; Y651-V661 CarbonylContact C-O 3.6Å; Y651-V661 WeakPolarHBondContact CA-O 3.23Å; Y651-V661 WeakPolarHBondContact CB-O 3.03Å
652	C	92.9	Very high	89.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	37%	0.367	C	S	.	.			trans	-69	133.1	173.3	-61.7	0	0	0	0	111.4	C625 L658 G660 V661 I666	C625-C652 HydrophobicContact CB-CB 3.78Å; C625-C652 WeakPolarHBondContact CB-SG 3.09Å; C625-C652 WeakPolarHBondContact SG-CA 3.49Å; C625-C652 WeakPolarHBondContact SG-CB 3.39Å; C625-C652 CovalentContact SG-SG 2.01Å; C625-C652 PolarHBondContact SG-SG 3.3Å; C652-L658 HydrophobicContact CB-CB 4.12Å; C652-L658 VanDerWaalsContact CB-O 3.22Å; C652-L658 WeakPolarHBondContact CB-O 3.42Å; C652-G660 PolarHBondContact O-N 3.44Å; C652-V661 PolarHBondContact N-O 3.43Å; C652-I666 WeakPolarHBondContact SG-CD1 3.27Å
653	M	92.9	Very high	89.4	Confident	61 Å²	61	57.8 Å²	57.8	30%	0.3	34%	0.344	S	S	.	.			trans	-92.8	-36.2	167.5	-170.2	63.9	-177.6	0	0	111.1	E622 F623 L659	E622-M653 HydrophobicContact CB-CB 4.31Å; E622-M653 HydrophobicContact CB-CG 4.31Å; E622-M653 HydrophobicContact CG-CG 4.37Å; F623-M653 PolarHBondContact O-N 2.93Å; M653-L659 VanDerWaalsContact O-CD1 3.28Å; M653-L659 WeakPolarHBondContact O-CD1 3.24Å; M653-L659 HydrophobicContact SD-CD1 3.82Å
654	Y	89.4	Confident	89.2	Confident	102 Å²	102	59.7 Å²	59.7	40%	0.4	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-135	156.3	179.1	-65.1	-72.8	0	0	0	111.1	F623 V624 C625	F623-Y654 PolarHBondContact O-N 2.96Å; V624-Y654 HydrophobicContact CG2-CD2 4.18Å; C625-Y654 WeakPolarHBondContact CB-O 3.35Å; C625-Y654 PolarHBondContact N-O 2.89Å
655	P	90.3	Very high	89.1	Confident	42 Å²	42	61.8 Å²	61.8	27%	0.273	36%	0.361	S	S	.	.	S	Bend	cis	-71.3	166.5	-10	30.9	-35.4	0	0	0	112.7	S657 L658 L659	P655-S657 PolarHBondContact O-N 3.49Å; P655-L658 HydrophobicContact CG-CD1 4.5Å; P655-L658 PolarHBondContact O-N 2.85Å; P655-L659 PolarHBondContact O-N 2.81Å
656	D	88.6	Confident	89.3	Confident	131 Å²	131	61.1 Å²	61.1	70%	0.701	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-52	-29.1	-176.6	-67.5	-26.8	0	0	0	114	L658 L659	D656-L658 PolarHBondContact O-N 2.96Å; D656-L659 PolarHBondContact O-N 3.11Å
657	S	90.3	Very high	89.3	Confident	103 Å²	103	61.8 Å²	61.8	72%	0.72	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.9	177.1	57.2	0	0	0	0	114.3	P655	P655-S657 PolarHBondContact O-N 3.49Å
658	L	89.8	Confident	89	Confident	56 Å²	56	60 Å²	60	29%	0.293	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-113.2	7.6	-178.9	-63.9	178.9	0	0	0	112.5	C625 C652 P655 D656 G660 V661	C625-L658 HydrophobicContact CB-CD1 4.08Å; C652-L658 HydrophobicContact CB-CB 4.12Å; C652-L658 VanDerWaalsContact CB-O 3.22Å; C652-L658 WeakPolarHBondContact CB-O 3.42Å; P655-L658 HydrophobicContact CG-CD1 4.5Å; P655-L658 PolarHBondContact O-N 2.85Å; D656-L658 PolarHBondContact O-N 2.96Å; L658-G660 PolarHBondContact O-N 3.31Å; L658-V661 HydrophobicContact CD2-CG2 4.49Å; L658-V661 VanDerWaalsContact O-CB 3.29Å; L658-V661 WeakPolarHBondContact O-CB 3.25Å; L658-V661 WeakPolarHBondContact O-CG2 3.07Å; L658-V661 PolarHBondContact O-N 2.81Å
659	L	91.7	Very high	88.2	Confident	99 Å²	99	63.2 Å²	63.2	52%	0.518	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	123.5	-176.9	-178.8	67.9	0	0	0	111.7	M653 P655 D656 V661	M653-L659 VanDerWaalsContact O-CD1 3.28Å; M653-L659 WeakPolarHBondContact O-CD1 3.24Å; M653-L659 HydrophobicContact SD-CD1 3.82Å; P655-L659 PolarHBondContact O-N 2.81Å; D656-L659 PolarHBondContact O-N 3.11Å; L659-V661 VanDerWaalsContact C-N 3.3Å; L659-V661 PolarHBondContact O-N 2.79Å
660	G	89.1	Confident	87.1	Confident	53 Å²	53	66.2 Å²	66.2	55%	0.546	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	0.8	179.2	0	0	0	0	0	115.5	C652 L658	C652-G660 PolarHBondContact O-N 3.44Å; L658-G660 PolarHBondContact O-N 3.31Å
661	V	91.8	Very high	86.1	Confident	53 Å²	53	67.1 Å²	67.1	32%	0.321	37%	0.366	S	S	.	.			trans	-75.2	134.8	173.7	178.3	0	0	0	0	110	Y651 C652 L658 L659 D665	Y651-V661 CarbonylContact C-O 3.6Å; Y651-V661 WeakPolarHBondContact CA-O 3.23Å; Y651-V661 WeakPolarHBondContact CB-O 3.03Å; C652-V661 PolarHBondContact N-O 3.43Å; L658-V661 HydrophobicContact CD2-CG2 4.49Å; L658-V661 VanDerWaalsContact O-CB 3.29Å; L658-V661 WeakPolarHBondContact O-CB 3.25Å; L658-V661 WeakPolarHBondContact O-CG2 3.07Å; L658-V661 PolarHBondContact O-N 2.81Å; L659-V661 VanDerWaalsContact C-N 3.3Å; L659-V661 PolarHBondContact O-N 2.79Å; V661-D665 HydrophobicContact CG1-CB 4.35Å
662	S	92.3	Very high	84.5	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.084	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-62.4	139.5	177.5	170.7	0	0	0	0	111.9	P647 L650 Y664 D665	P647-S662 PolarHBondContact O-OG 3.31Å; L650-S662 CarbonylContact O-C 3.23Å; L650-S662 VanDerWaalsContact O-CA 3.31Å; L650-S662 WeakPolarHBondContact O-CA 3.4Å; S662-Y664 PolarHBondContact O-N 3.35Å; S662-Y664 PolarHBondContact OG-N 2.72Å; S662-D665 WeakPolarHBondContact CB-OD2 3.4Å; S662-D665 PolarHBondContact O-N 3.32Å
663	L	91.1	Very high	82.6	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.2	177.3	-63.6	-172.3	0	0	0	113	F623 C625 L629 F632 L636 L650 D665 I666	F623-L663 HydrophobicContact CB-CD2 4.21Å; F623-L663 HydrophobicContact CD2-CD1 3.76Å; F623-L663 HydrophobicContact CD2-CD2 4.48Å; F623-L663 HydrophobicContact CD2-CG 4.44Å; F623-L663 HydrophobicContact CE2-CD1 4.04Å; F623-L663 HydrophobicContact CG-CD1 4.07Å; F623-L663 HydrophobicContact CG-CD2 4.49Å; C625-L663 WeakPolarHBondContact SG-CD2 3.35Å; L629-L663 HydrophobicContact CD2-CD2 4.13Å; F632-L663 HydrophobicContact CE1-CD1 4.42Å; L636-L663 HydrophobicContact CD1-CB 4.16Å; L636-L663 HydrophobicContact CD1-CD1 3.75Å; L650-L663 HydrophobicContact CB-CB 4.47Å; L650-L663 HydrophobicContact CB-CD1 4.11Å; L650-L663 HydrophobicContact CB-CG 4.16Å; L650-L663 PolarHBondContact O-N 2.84Å; L663-D665 VanDerWaalsContact C-N 3.26Å; L663-D665 PolarHBondContact O-N 2.85Å; L663-I666 HydrophobicContact CB-CD1 4.47Å; L663-I666 HydrophobicContact CD2-CD1 3.71Å
664	Y	88.4	Confident	80.7	Confident	77 Å²	77	79.4 Å²	79.4	30%	0.302	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-72.1	-19.1	178.4	-67.8	-82.8	0	0	0	113.5	L643 P647 L650 S662	L643-Y664 VanDerWaalsContact CD1-OH 3.27Å; L643-Y664 WeakPolarHBondContact CD1-OH 3.38Å; P647-Y664 HydrophobicContact CB-CD2 3.6Å; P647-Y664 HydrophobicContact CB-CE2 3.72Å; P647-Y664 HydrophobicContact CB-CG 4.43Å; P647-Y664 HydrophobicContact CG-CE2 4.37Å; L650-Y664 HydrophobicContact CD1-CE2 4.13Å; S662-Y664 PolarHBondContact O-N 3.35Å; S662-Y664 PolarHBondContact OG-N 2.72Å
665	D	88	Confident	78.9	Confident	125 Å²	125	82 Å²	82	67%	0.668	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-95.9	-1.1	-176.7	-62.7	-34.7	0	0	0	112.7	V661 S662 L663	V661-D665 HydrophobicContact CG1-CB 4.35Å; S662-D665 WeakPolarHBondContact CB-OD2 3.4Å; S662-D665 PolarHBondContact O-N 3.32Å; L663-D665 VanDerWaalsContact C-N 3.26Å; L663-D665 PolarHBondContact O-N 2.85Å
666	I	86.8	Confident	76.9	Confident	34 Å²	34	82.3 Å²	82.3	17%	0.174	45%	0.45	C	S	.	.			trans	-79.4	129.5	-178.9	-56.6	169.5	0	0	0	110.8	C625 I633 C652 L663	C625-I666 HydrophobicContact CB-CD1 3.87Å; C625-I666 WeakPolarHBondContact SG-CD1 3.5Å; I633-I666 HydrophobicContact CD1-CB 4.16Å; I633-I666 HydrophobicContact CD1-CD1 3.9Å; I633-I666 HydrophobicContact CD1-CG2 3.91Å; C652-I666 WeakPolarHBondContact SG-CD1 3.27Å; L663-I666 HydrophobicContact CB-CD1 4.47Å; L663-I666 HydrophobicContact CD2-CD1 3.71Å
667	S	81.7	Confident	75.2	Confident	69 Å²	69	78.1 Å²	78.1	48%	0.483	43%	0.431	S	S	.	.			trans	-83.7	114.5	171.7	179.1	0	0	0	0	111	K669	S667-K669 VanDerWaalsContact C-N 3.31Å
668	T	77.3	Confident	73.6	Confident	34 Å²	34	80.6 Å²	80.6	21%	0.209	43%	0.432	C	S	.	.			trans	-83.9	-2.9	172.4	54.3	0	0	0	0	113.7	I633 D670 C671	I633-T668 HydrophobicContact CB-CG2 3.91Å; I633-T668 HydrophobicContact CD1-CG2 4.02Å; I633-T668 HydrophobicContact CG2-CG2 3.75Å; T668-D670 VanDerWaalsContact C-N 3.27Å; T668-D670 PolarHBondContact O-N 3.16Å; T668-C671 WeakPolarHBondContact O-CB 3.2Å; T668-C671 PolarHBondContact O-N 3.32Å
669	K	68	Low	71.9	Confident	163 Å²	163	82.3 Å²	82.3	71%	0.709	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.9	-172.4	-65.9	179.9	179.2	173	0	114.6	S667	S667-K669 VanDerWaalsContact C-N 3.31Å
670	D	65.4	Low	70.3	Confident	103 Å²	103	83.1 Å²	83.1	55%	0.551	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.6	179.9	-60.8	-42.6	0	0	0	112.2	T668 Q673	T668-D670 VanDerWaalsContact C-N 3.27Å; T668-D670 PolarHBondContact O-N 3.16Å; D670-Q673 WeakPolarHBondContact O-CB 3.4Å; D670-Q673 PolarHBondContact O-N 2.8Å
671	C	70.4	Confident	69.2	Low	26 Å²	26	87.5 Å²	87.5	18%	0.176	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.1	177.6	-70.1	0	0	0	0	112.8	C627 T668 Q673 E674	C627-C671 WeakPolarHBondContact CA-SG 3.15Å; C627-C671 HydrophobicContact CB-CB 3.67Å; C627-C671 WeakPolarHBondContact CB-SG 3.18Å; C627-C671 WeakPolarHBondContact SG-CA 3.32Å; C627-C671 WeakPolarHBondContact SG-CB 3.19Å; C627-C671 CovalentContact SG-SG 2.06Å; C627-C671 PolarHBondContact SG-SG 2.88Å; T668-C671 WeakPolarHBondContact O-CB 3.2Å; T668-C671 PolarHBondContact O-N 3.32Å; C671-Q673 PolarHBondContact O-N 3.36Å; C671-E674 PolarHBondContact O-N 3.49Å
672	D	58.5	Low	68.1	Low	109 Å²	109	91.6 Å²	91.6	58%	0.583	47%	0.466	S	S	*	.	H	α-helix	trans	-64.8	-22	172.3	-67	-30.8	0	0	0	111.9	A676	D672-A676 WeakPolarHBondContact O-CB 3.04Å; D672-A676 PolarHBondContact O-N 3.01Å; D672-A676 VanDerWaalsContact O-N 3.1Å
673	Q	53.3	Low	67.1	Low	132 Å²	132	93.9 Å²	93.9	62%	0.617	48%	0.483	S	S	*	.	H	α-helix	trans	-75.4	-23.7	-178.5	-68.5	-168.5	1.3	0	0	113.5	D670 C671 S677	D670-Q673 WeakPolarHBondContact O-CB 3.4Å; D670-Q673 PolarHBondContact O-N 2.8Å; C671-Q673 PolarHBondContact O-N 3.36Å; Q673-S677 WeakPolarHBondContact O-CA 3.3Å; Q673-S677 WeakPolarHBondContact O-CB 3.14Å; Q673-S677 PolarHBondContact O-N 3.2Å
674	E	51.7	Low	66.3	Low	143 Å²	143	98.6 Å²	98.6	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-84.6	-42.5	-179.5	-80.5	-175	150.9	0	0	113.2	C671	C671-E674 PolarHBondContact O-N 3.49Å
675	E	51.8	Low	65.9	Low	157 Å²	157	101.8 Å²	101.8	73%	0.734	52%	0.523	S	S	*	.	H	α-helix	trans	-71.7	-40.4	172.6	-93.9	-172.4	155.1	0	0	112	T679	E675-T679 PolarHBondContact O-N 3.43Å; E675-T679 PolarHBondContact O-OG1 2.99Å
676	A	49.9	Very low	65.4	Low	48 Å²	48	99.9 Å²	99.9	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-70.8	-33.7	175.8	0	0	0	0	0	111.8	D672 Q678 T679 L680	D672-A676 WeakPolarHBondContact O-CB 3.04Å; D672-A676 PolarHBondContact O-N 3.01Å; D672-A676 VanDerWaalsContact O-N 3.1Å; A676-Q678 PolarHBondContact O-N 2.8Å; A676-T679 PolarHBondContact O-N 2.94Å; A676-L680 WeakPolarHBondContact O-CA 3.47Å; A676-L680 WeakPolarHBondContact O-CB 3.42Å; A676-L680 PolarHBondContact O-N 2.79Å
677	S	52.4	Low	65.1	Low	43 Å²	43	103.4 Å²	103.4	30%	0.301	53%	0.531	S	S	.	.	H	α-helix	trans	-57	-43.8	177	153.5	0	0	0	0	112.7	Q673 K681	Q673-S677 WeakPolarHBondContact O-CA 3.3Å; Q673-S677 WeakPolarHBondContact O-CB 3.14Å; Q673-S677 PolarHBondContact O-N 3.2Å; S677-K681 WeakPolarHBondContact O-CB 3.44Å; S677-K681 VanDerWaalsContact O-CD 3.28Å; S677-K681 WeakPolarHBondContact O-CD 3.45Å; S677-K681 WeakPolarHBondContact O-CG 3.5Å; S677-K681 PolarHBondContact O-N 3.49Å; S677-K681 PolarHBondContact OG-NZ 2.82Å
678	Q	55.6	Low	65	Low	155 Å²	155	103.1 Å²	103.1	72%	0.724	53%	0.528	S	S	*	.	H	α-helix	trans	-67.7	-50.2	178.6	-77.6	-116.5	-5.6	0	0	111.8	A676 K681 F682	A676-Q678 PolarHBondContact O-N 2.8Å; Q678-K681 PolarHBondContact O-N 3.18Å; Q678-F682 PolarHBondContact O-N 2.77Å; Q678-F682 VanDerWaalsContact O-N 3.13Å
679	T	55.2	Low	65.1	Low	93 Å²	93	104.5 Å²	104.5	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-68.5	-39.5	-176	-32	0	0	0	0	111.4	E675 A676 S683	E675-T679 PolarHBondContact O-N 3.43Å; E675-T679 PolarHBondContact O-OG1 2.99Å; A676-T679 PolarHBondContact O-N 2.94Å; T679-S683 VanDerWaalsContact O-CB 3.3Å; T679-S683 WeakPolarHBondContact O-CB 3.33Å; T679-S683 PolarHBondContact O-N 2.97Å; T679-S683 PolarHBondContact O-OG 2.68Å
680	L	58.1	Low	65.9	Low	115 Å²	115	100.5 Å²	100.5	60%	0.602	53%	0.526	S	S	*	.	H	α-helix	trans	-76	-33.8	178.6	-148.9	106.5	0	0	0	111.9	A676 S683 L684	A676-L680 WeakPolarHBondContact O-CA 3.47Å; A676-L680 WeakPolarHBondContact O-CB 3.42Å; A676-L680 PolarHBondContact O-N 2.79Å; L680-S683 PolarHBondContact O-N 3.03Å; L680-L684 WeakPolarHBondContact O-CB 3.44Å; L680-L684 PolarHBondContact O-N 2.8Å
681	K	65.3	Low	66.5	Low	146 Å²	146	98.7 Å²	98.7	64%	0.635	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-41.9	171	-80	168.1	-176.7	160.5	0	111.7	S677 Q678 F685	S677-K681 WeakPolarHBondContact O-CB 3.44Å; S677-K681 VanDerWaalsContact O-CD 3.28Å; S677-K681 WeakPolarHBondContact O-CD 3.45Å; S677-K681 WeakPolarHBondContact O-CG 3.5Å; S677-K681 PolarHBondContact O-N 3.49Å; S677-K681 PolarHBondContact OG-NZ 2.82Å; Q678-K681 PolarHBondContact O-N 3.18Å; K681-F685 VanDerWaalsContact O-CB 3.28Å; K681-F685 WeakPolarHBondContact O-CB 3.4Å; K681-F685 PolarHBondContact O-N 2.9Å
682	F	69.9	Low	67	Low	138 Å²	138	102.8 Å²	102.8	61%	0.605	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-42.1	175.9	-170.3	-104.5	0	0	0	111.9	Q678 F685 L686	Q678-F682 PolarHBondContact O-N 2.77Å; Q678-F682 VanDerWaalsContact O-N 3.13Å; F682-F685 PolarHBondContact O-N 3.18Å; F682-L686 HydrophobicContact CD1-CD1 3.86Å; F682-L686 HydrophobicContact CE1-CD1 3.54Å; F682-L686 HydrophobicContact CZ-CD1 4.13Å; F682-L686 PolarHBondContact O-N 2.95Å
683	S	71.3	Confident	67.9	Low	61 Å²	61	101.3 Å²	101.3	43%	0.427	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-41	176.3	-55.2	0	0	0	0	112.5	T679 L680 L686 L687	T679-S683 VanDerWaalsContact O-CB 3.3Å; T679-S683 WeakPolarHBondContact O-CB 3.33Å; T679-S683 PolarHBondContact O-N 2.97Å; T679-S683 PolarHBondContact O-OG 2.68Å; L680-S683 PolarHBondContact O-N 3.03Å; S683-L686 PolarHBondContact O-N 3.3Å; S683-L687 VanDerWaalsContact O-CB 3.31Å; S683-L687 WeakPolarHBondContact O-CB 3.2Å; S683-L687 PolarHBondContact O-N 3.01Å
684	L	74.1	Confident	69.1	Low	100 Å²	100	98.7 Å²	98.7	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-70.5	-34	177.7	-159.1	86.2	0	0	0	111	L680 L687 C688	L680-L684 WeakPolarHBondContact O-CB 3.44Å; L680-L684 PolarHBondContact O-N 2.8Å; L684-L687 PolarHBondContact O-N 2.91Å; L684-C688 WeakPolarHBondContact O-CB 3.32Å; L684-C688 PolarHBondContact O-N 2.92Å; L684-C688 PolarHBondContact O-SG 3.46Å
685	F	79.1	Confident	70.2	Confident	143 Å²	143	97 Å²	97	63%	0.627	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-44	171.5	-179.8	-97.8	0	0	0	111.9	K681 F682 T689	K681-F685 VanDerWaalsContact O-CB 3.28Å; K681-F685 WeakPolarHBondContact O-CB 3.4Å; K681-F685 PolarHBondContact O-N 2.9Å; F682-F685 PolarHBondContact O-N 3.18Å; F685-T689 WeakPolarHBondContact O-CB 3.47Å; F685-T689 WeakPolarHBondContact O-CG2 3.39Å; F685-T689 PolarHBondContact O-N 2.94Å; F685-T689 PolarHBondContact O-OG1 3.02Å
686	L	77.1	Confident	71.3	Confident	86 Å²	86	95.1 Å²	95.1	45%	0.45	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-42.9	172.9	-83.9	160.3	0	0	0	112.1	F682 S683 T689 V690	F682-L686 HydrophobicContact CD1-CD1 3.86Å; F682-L686 HydrophobicContact CE1-CD1 3.54Å; F682-L686 HydrophobicContact CZ-CD1 4.13Å; F682-L686 PolarHBondContact O-N 2.95Å; S683-L686 PolarHBondContact O-N 3.3Å; L686-T689 WeakPolarHBondContact CA-OG1 3.43Å; L686-T689 PolarHBondContact O-N 2.87Å; L686-T689 PolarHBondContact O-OG1 3.25Å; L686-V690 WeakPolarHBondContact O-CB 3.4Å; L686-V690 WeakPolarHBondContact O-CG2 3.49Å; L686-V690 PolarHBondContact O-N 2.9Å
687	L	80.3	Confident	72.2	Confident	108 Å²	108	97 Å²	97	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-67.8	-40.7	178.9	-157.7	91.5	0	0	0	111.3	S683 L684 V690 T691	S683-L687 VanDerWaalsContact O-CB 3.31Å; S683-L687 WeakPolarHBondContact O-CB 3.2Å; S683-L687 PolarHBondContact O-N 3.01Å; L684-L687 PolarHBondContact O-N 2.91Å; L687-V690 PolarHBondContact O-N 2.67Å; L687-T691 HydrophobicContact CG-CG2 4.41Å; L687-T691 VanDerWaalsContact O-CB 3.27Å; L687-T691 WeakPolarHBondContact O-CB 3.48Å; L687-T691 VanDerWaalsContact O-CG2 3.25Å; L687-T691 WeakPolarHBondContact O-CG2 3.37Å; L687-T691 PolarHBondContact O-N 2.92Å; L687-T691 PolarHBondContact O-OG1 2.93Å
688	C	81.1	Confident	72.8	Confident	63 Å²	63	97.8 Å²	97.8	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-39.3	176.5	-79.3	0	0	0	0	112	L684 T691 L692	L684-C688 WeakPolarHBondContact O-CB 3.32Å; L684-C688 PolarHBondContact O-N 2.92Å; L684-C688 PolarHBondContact O-SG 3.46Å; C688-T691 VanDerWaalsContact CA-OG1 3.3Å; C688-T691 WeakPolarHBondContact CA-OG1 3.3Å; C688-T691 PolarHBondContact O-OG1 3.34Å; C688-L692 VanDerWaalsContact O-CB 3.31Å; C688-L692 WeakPolarHBondContact O-CB 3.35Å; C688-L692 PolarHBondContact O-N 2.77Å
689	T	79.3	Confident	73.2	Confident	63 Å²	63	93.9 Å²	93.9	39%	0.387	51%	0.512	S	S	.	.	H	α-helix	trans	-69.8	-42	175.8	46.7	0	0	0	0	112	F685 L686 T693	F685-T689 WeakPolarHBondContact O-CB 3.47Å; F685-T689 WeakPolarHBondContact O-CG2 3.39Å; F685-T689 PolarHBondContact O-N 2.94Å; F685-T689 PolarHBondContact O-OG1 3.02Å; L686-T689 WeakPolarHBondContact CA-OG1 3.43Å; L686-T689 PolarHBondContact O-N 2.87Å; L686-T689 PolarHBondContact O-OG1 3.25Å; T689-T693 VanDerWaalsContact O-CG2 3.31Å; T689-T693 WeakPolarHBondContact O-CG2 3.3Å; T689-T693 PolarHBondContact O-N 3.31Å; T689-T693 VanDerWaalsContact O-N 3.07Å; T689-T693 PolarHBondContact O-OG1 3.19Å; T689-T693 VanDerWaalsContact O-OG1 3.11Å
690	V	83.8	Confident	73.5	Confident	79 Å²	79	97.7 Å²	97.7	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-41.7	174.6	173.3	0	0	0	0	111.6	L686 L687 T693 V694	L686-V690 WeakPolarHBondContact O-CB 3.4Å; L686-V690 WeakPolarHBondContact O-CG2 3.49Å; L686-V690 PolarHBondContact O-N 2.9Å; L687-V690 PolarHBondContact O-N 2.67Å; V690-T693 WeakPolarHBondContact CA-OG1 3.23Å; V690-T693 PolarHBondContact O-N 2.77Å; V690-T693 PolarHBondContact O-OG1 2.56Å; V690-V694 HydrophobicContact CG1-CG2 4.25Å; V690-V694 WeakPolarHBondContact O-CB 3.41Å; V690-V694 WeakPolarHBondContact O-CG2 3.37Å; V690-V694 PolarHBondContact O-N 3.45Å
691	T	78.7	Confident	73.5	Confident	65 Å²	65	97.4 Å²	97.4	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-35.6	177	48.6	0	0	0	0	112.5	L687 C688 V694 L695	L687-T691 HydrophobicContact CG-CG2 4.41Å; L687-T691 VanDerWaalsContact O-CB 3.27Å; L687-T691 WeakPolarHBondContact O-CB 3.48Å; L687-T691 VanDerWaalsContact O-CG2 3.25Å; L687-T691 WeakPolarHBondContact O-CG2 3.37Å; L687-T691 PolarHBondContact O-N 2.92Å; L687-T691 PolarHBondContact O-OG1 2.93Å; C688-T691 VanDerWaalsContact CA-OG1 3.3Å; C688-T691 WeakPolarHBondContact CA-OG1 3.3Å; C688-T691 PolarHBondContact O-OG1 3.34Å; T691-V694 PolarHBondContact O-N 2.67Å; T691-L695 VanDerWaalsContact O-CB 3.24Å; T691-L695 WeakPolarHBondContact O-CB 3.37Å; T691-L695 PolarHBondContact O-N 3.13Å
692	L	81.1	Confident	73	Confident	111 Å²	111	95.3 Å²	95.3	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-42.4	172.6	-112.2	138.1	0	0	0	112	C688 L695 L696	C688-L692 VanDerWaalsContact O-CB 3.31Å; C688-L692 WeakPolarHBondContact O-CB 3.35Å; C688-L692 PolarHBondContact O-N 2.77Å; L692-L695 PolarHBondContact O-N 2.92Å; L692-L696 WeakPolarHBondContact O-CG 3.25Å; L692-L696 PolarHBondContact O-N 3.02Å
693	T	77.3	Confident	72.3	Confident	79 Å²	79	95.8 Å²	95.8	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-67.8	-41.3	176.8	54.1	0	0	0	0	111.8	T689 V690 L696 V697	T689-T693 VanDerWaalsContact O-CG2 3.31Å; T689-T693 WeakPolarHBondContact O-CG2 3.3Å; T689-T693 PolarHBondContact O-N 3.31Å; T689-T693 VanDerWaalsContact O-N 3.07Å; T689-T693 PolarHBondContact O-OG1 3.19Å; T689-T693 VanDerWaalsContact O-OG1 3.11Å; V690-T693 WeakPolarHBondContact CA-OG1 3.23Å; V690-T693 PolarHBondContact O-N 2.77Å; V690-T693 PolarHBondContact O-OG1 2.56Å; T693-L696 PolarHBondContact O-N 3.47Å; T693-V697 VanDerWaalsContact O-CG2 3.3Å; T693-V697 WeakPolarHBondContact O-CG2 3.02Å; T693-V697 PolarHBondContact O-N 2.57Å
694	V	78.4	Confident	71.2	Confident	76 Å²	76	101.2 Å²	101.2	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-37.5	174	172.3	0	0	0	0	111.6	V690 T691 V697 T698	V690-V694 HydrophobicContact CG1-CG2 4.25Å; V690-V694 WeakPolarHBondContact O-CB 3.41Å; V690-V694 WeakPolarHBondContact O-CG2 3.37Å; V690-V694 PolarHBondContact O-N 3.45Å; T691-V694 PolarHBondContact O-N 2.67Å; V694-V697 PolarHBondContact O-N 3.46Å; V694-T698 HydrophobicContact CG1-CG2 4.1Å; V694-T698 WeakPolarHBondContact O-CB 3.43Å; V694-T698 WeakPolarHBondContact O-CG2 3.45Å; V694-T698 PolarHBondContact O-N 3.15Å; V694-T698 PolarHBondContact O-OG1 3.23Å
695	L	75.4	Confident	69.6	Low	108 Å²	108	105.6 Å²	105.6	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-41.2	175	-103.5	151	0	0	0	111.9	T691 L692 T698 T699	T691-L695 VanDerWaalsContact O-CB 3.24Å; T691-L695 WeakPolarHBondContact O-CB 3.37Å; T691-L695 PolarHBondContact O-N 3.13Å; L692-L695 PolarHBondContact O-N 2.92Å; L695-T698 VanDerWaalsContact CA-OG1 3.29Å; L695-T698 WeakPolarHBondContact CA-OG1 3.5Å; L695-T698 PolarHBondContact O-N 2.94Å; L695-T698 PolarHBondContact O-OG1 2.97Å; L695-T699 WeakPolarHBondContact O-CB 3.22Å; L695-T699 PolarHBondContact O-N 3.37Å; L695-T699 PolarHBondContact O-OG1 3.29Å
696	L	73.9	Confident	67.9	Low	118 Å²	118	110.6 Å²	110.6	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-64.9	-37.9	174.9	-76.4	165.4	0	0	0	112.1	L692 T693 T699 F700	L692-L696 WeakPolarHBondContact O-CG 3.25Å; L692-L696 PolarHBondContact O-N 3.02Å; T693-L696 PolarHBondContact O-N 3.47Å; L696-T699 PolarHBondContact O-OG1 2.94Å; L696-F700 PolarHBondContact O-N 3.06Å
697	V	70	Confident	65.8	Low	88 Å²	88	110.3 Å²	110.3	53%	0.533	59%	0.589	S	S	.	*	H	α-helix	trans	-74.6	-39.8	176.7	173.2	0	0	0	0	111.8	T693 V694 F700 I701	T693-V697 VanDerWaalsContact O-CG2 3.3Å; T693-V697 WeakPolarHBondContact O-CG2 3.02Å; T693-V697 PolarHBondContact O-N 2.57Å; V694-V697 PolarHBondContact O-N 3.46Å; V697-F700 WeakPolarHBondContact O-CB 3.49Å; V697-F700 PolarHBondContact O-N 3.48Å; V697-I701 HydrophobicContact CG1-CD1 4.03Å; V697-I701 WeakPolarHBondContact O-CG1 3.46Å; V697-I701 PolarHBondContact O-N 3.32Å
698	T	64.1	Low	64	Low	58 Å²	58	108.8 Å²	108.8	36%	0.356	60%	0.599	S	S	.	*	H	α-helix	trans	-74.3	-34.1	179.7	46.4	0	0	0	0	112.5	V694 L695 F700 I701 V702	V694-T698 HydrophobicContact CG1-CG2 4.1Å; V694-T698 WeakPolarHBondContact O-CB 3.43Å; V694-T698 WeakPolarHBondContact O-CG2 3.45Å; V694-T698 PolarHBondContact O-N 3.15Å; V694-T698 PolarHBondContact O-OG1 3.23Å; L695-T698 VanDerWaalsContact CA-OG1 3.29Å; L695-T698 WeakPolarHBondContact CA-OG1 3.5Å; L695-T698 PolarHBondContact O-N 2.94Å; L695-T698 PolarHBondContact O-OG1 2.97Å; T698-F700 VanDerWaalsContact C-N 3.28Å; T698-F700 PolarHBondContact O-N 2.89Å; T698-I701 PolarHBondContact O-N 3.46Å; T698-I701 VanDerWaalsContact O-N 3.15Å; T698-V702 VanDerWaalsContact O-CB 3.29Å; T698-V702 WeakPolarHBondContact O-CB 3.48Å; T698-V702 WeakPolarHBondContact O-CG2 3.47Å; T698-V702 PolarHBondContact O-N 3.4Å
699	T	63.1	Low	61.7	Low	74 Å²	74	111.5 Å²	111.5	45%	0.454	62%	0.618	S	S	.	*	H	α-helix	trans	-64.1	-34.2	170.3	32.5	0	0	0	0	112.1	L695 L696 I701 I703	L695-T699 WeakPolarHBondContact O-CB 3.22Å; L695-T699 PolarHBondContact O-N 3.37Å; L695-T699 PolarHBondContact O-OG1 3.29Å; L696-T699 PolarHBondContact O-OG1 2.94Å; T699-I701 VanDerWaalsContact C-N 3.32Å; T699-I701 PolarHBondContact O-N 3.5Å; T699-I703 WeakPolarHBondContact O-CD1 3.36Å; T699-I703 VanDerWaalsContact O-CG1 3.27Å; T699-I703 WeakPolarHBondContact O-CG1 3.36Å; T699-I703 PolarHBondContact O-N 3.39Å
700	F	61.6	Low	59.3	Low	172 Å²	172	115.7 Å²	115.7	75%	0.754	63%	0.631	S	S	*	*	H	α-helix	trans	-63.8	-35.7	171.9	-160.3	-95.2	0	0	0	112.6	L696 V697 T698	L696-F700 PolarHBondContact O-N 3.06Å; V697-F700 WeakPolarHBondContact O-CB 3.49Å; V697-F700 PolarHBondContact O-N 3.48Å; T698-F700 VanDerWaalsContact C-N 3.28Å; T698-F700 PolarHBondContact O-N 2.89Å
701	I	58.7	Low	56.9	Low	110 Å²	110	118.7 Å²	118.7	56%	0.564	64%	0.643	S	S	*	*	H	α-helix	trans	-80.5	-36.6	179.6	-66.6	168.3	0	0	0	112	V697 T698 T699 K704	V697-I701 HydrophobicContact CG1-CD1 4.03Å; V697-I701 WeakPolarHBondContact O-CG1 3.46Å; V697-I701 PolarHBondContact O-N 3.32Å; T698-I701 PolarHBondContact O-N 3.46Å; T698-I701 VanDerWaalsContact O-N 3.15Å; T699-I701 VanDerWaalsContact C-N 3.32Å; T699-I701 PolarHBondContact O-N 3.5Å; I701-K704 WeakPolarHBondContact O-CB 3.46Å; I701-K704 PolarHBondContact O-N 3.25Å; I701-K704 VanDerWaalsContact O-N 3.14Å
702	V	55.5	Low	54.8	Low	101 Å²	101	120.7 Å²	120.7	61%	0.612	66%	0.659	S	S	*	*	H	α-helix	trans	-79.1	-20.3	-175.3	172.2	0	0	0	0	112.6	T698 K704	T698-V702 VanDerWaalsContact O-CB 3.29Å; T698-V702 WeakPolarHBondContact O-CB 3.48Å; T698-V702 WeakPolarHBondContact O-CG2 3.47Å; T698-V702 PolarHBondContact O-N 3.4Å; V702-K704 PolarHBondContact O-N 3.05Å
703	I	54.3	Low	52.9	Low	149 Å²	149	122.8 Å²	122.8	76%	0.764	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	166.9	-70.4	166.9	0	0	0	111.5	T699	T699-I703 WeakPolarHBondContact O-CD1 3.36Å; T699-I703 VanDerWaalsContact O-CG1 3.27Å; T699-I703 WeakPolarHBondContact O-CG1 3.36Å; T699-I703 PolarHBondContact O-N 3.39Å
704	K	49.5	Very low	50.6	Low	175 Å²	175	124.7 Å²	124.7	76%	0.761	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-10.9	-175.7	-118.3	-115.9	177.5	172.3	0	115.4	I701 V702	I701-K704 WeakPolarHBondContact O-CB 3.46Å; I701-K704 PolarHBondContact O-N 3.25Å; I701-K704 VanDerWaalsContact O-N 3.14Å; V702-K704 PolarHBondContact O-N 3.05Å
705	F	40.4	Very low	48.4	Very low	191 Å²	191	126.9 Å²	126.9	84%	0.838	68%	0.675	S	S	*	*			trans	-151.8	92.4	179.6	-113.4	-91.3	0	0	0	111.7
706	R	41.6	Very low	46.6	Very low	248 Å²	248	127.5 Å²	127.5	94%	0.936	68%	0.678	S	S	*	*			trans	-95.9	131.9	159.8	-114.2	-174	177.7	168.4	0.5	108.5
707	G	34.7	Very low	44.5	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	69%	0.688	S	S	*	*			trans	-179.7	106.4	166.4	0	0	0	0	0	112.3
708	G	41.2	Very low	42.7	Very low	76 Å²	76	129 Å²	129	78%	0.784	69%	0.692	S	S	*	*			trans	98.8	71.2	153.2	0	0	0	0	0	116.7
709	C	32.7	Very low	41.2	Very low	121 Å²	121	134.2 Å²	134.2	82%	0.818	72%	0.717	S	S	*	*			trans	-12.2	128.3	134.7	-81.2	0	0	0	0	114.5
710	F	30.3	Very low	39.7	Very low	150 Å²	150	136.9 Å²	136.9	66%	0.658	73%	0.733	S	S	*	*				58.7	94.4	84.6	-172	-87.6	0	0	0	111.1	Y713	F710-Y713 HydrophobicContact CZ-CD1 4.48Å
711	L	31.8	Very low	38.2	Very low	143 Å²	143	135 Å²	135	75%	0.749	73%	0.73	S	S	*	*				-164.8	100.9	127.9	-142.5	70.9	0	0	0	110.8
712	C	35.5	Very low	36.8	Very low	106 Å²	106	137.9 Å²	137.9	72%	0.716	74%	0.739	S	S	*	*			trans	157.8	53.1	136.8	-87	0	0	0	0	108.1
713	Y	40.2	Very low	35.4	Very low	155 Å²	155	139.8 Å²	139.8	61%	0.608	75%	0.745	S	S	*	*				-11.7	105.1	89.8	-170	-111.7	0	0	0	113.1	F710	F710-Y713 HydrophobicContact CZ-CD1 4.48Å
714	K	30.4	Very low	34	Very low	120 Å²	120	142.5 Å²	142.5	52%	0.522	75%	0.751	S	S	.	*			trans	80.6	96.9	139	-161.1	-160.2	-126.6	167.7	0	114.7	I716	K714-I716 HydrophobicContact CG-CG1 4.47Å
715	T	30.8	Very low	33.2	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	76%	0.756	S	S	*	*			trans	-143	80.1	132.4	-22	0	0	0	0	106.2
716	I	37.7	Very low	32.5	Very low	121 Å²	121	143.2 Å²	143.2	62%	0.621	76%	0.759	S	S	*	*				94.7	107.3	99.7	-81.8	170.5	0	0	0	108.2	K714	K714-I716 HydrophobicContact CG-CG1 4.47Å
717	Q	30.6	Very low	31.9	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	75%	0.748	S	S	*	*				50	108.6	90.8	-102.1	179.3	-21.2	0	0	110.6
718	G	31.2	Very low	31.8	Very low	61 Å²	61	138.3 Å²	138.3	63%	0.629	75%	0.75	S	S	*	*				161.1	150.2	62.1	0	0	0	0	0	108.8
719	L	34.3	Very low	31.7	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	75%	0.751	S	S	*	*			trans	49.9	122.4	141.3	-72.2	153.5	0	0	0	117.5
720	V	31.3	Very low	32.1	Very low	131 Å²	131	142.9 Å²	142.9	79%	0.794	75%	0.75	S	S	*	*				-172.7	107.5	115.6	160.1	0	0	0	0	109.8
721	L	30.6	Very low	33.1	Very low	132 Å²	132	138.6 Å²	138.6	69%	0.691	74%	0.738	S	S	*	*			trans	41.4	130.7	131	-69	145.7	0	0	0	123.1
722	K	27.6	Very low	34.4	Very low	171 Å²	171	136.6 Å²	136.6	74%	0.743	74%	0.742	S	S	*	*				94.4	119.1	126	-85.6	-178.9	174.1	-177.5	0	122
723	D	26.5	Very low	36	Very low	140 Å²	140	135.4 Å²	135.4	75%	0.749	72%	0.724	S	S	*	*			trans	49.4	122.3	134	-57.7	-25.9	0	0	0	121.3
724	K	25.6	Very low	37.7	Very low	206 Å²	206	136.8 Å²	136.8	90%	0.896	73%	0.728	S	S	*	*				-163.3	124.3	116	-121.9	171.6	180	172.5	0	113.9
725	V	31.7	Very low	40.2	Very low	140 Å²	140	132.6 Å²	132.6	85%	0.848	71%	0.709	S	S	*	*			trans	-60.2	137.7	156.5	171.9	0	0	0	0	109.3
726	R	25.9	Very low	42.8	Very low	241 Å²	241	127.7 Å²	127.7	91%	0.909	68%	0.678	S	S	*	*			trans	-133.2	111.4	164.8	-131.1	177.2	-176.2	173	0.6	109.6
727	S	29.1	Very low	45.2	Very low	102 Å²	102	122 Å²	122	71%	0.713	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-54	133.3	169.5	46.9	0	0	0	0	111.7
728	S	33.5	Very low	48.2	Very low	123 Å²	123	113.8 Å²	113.8	86%	0.86	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-77.3	121.2	166.4	-168.6	0	0	0	0	108.4
729	E	38.2	Very low	51	Low	170 Å²	170	111 Å²	111	79%	0.794	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-65.6	147.2	177.6	-73.2	175.2	168.2	0	0	111.5	S731	E729-S731 PolarHBondContact O-N 3.36Å
730	P	40.6	Very low	53.7	Low	124 Å²	124	103.1 Å²	103.1	81%	0.805	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-65.4	132.6	177.4	25.6	-31.4	0	0	0	111.2	A732	P730-A732 PolarHBondContact O-N 3.24Å
731	S	52.3	Low	56.6	Low	59 Å²	59	97.2 Å²	97.2	41%	0.413	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-60.3	124.3	177.4	59.1	0	0	0	0	111.3	E729 Y733	E729-S731 PolarHBondContact O-N 3.36Å; S731-Y733 PolarHBondContact O-N 3.19Å
732	A	59	Low	59.4	Low	101 Å²	101	91.2 Å²	91.2	84%	0.835	47%	0.473	S	S	*	.	S	Bend	trans	-71.2	10.6	177.5	0	0	0	0	0	115.2	P730	P730-A732 PolarHBondContact O-N 3.24Å
733	Y	68.1	Low	62	Low	82 Å²	82	85.7 Å²	85.7	32%	0.322	46%	0.456	S	S	.	.			trans	-113.8	137.9	-176.4	-63.1	-76	0	0	0	111.2	S731 W791 R820	S731-Y733 PolarHBondContact O-N 3.19Å; Y733-W791 WeakPolarHBondContact CD1-O 3.5Å; Y733-W791 WeakPolarHBondContact CE1-O 3.3Å; Y733-R820 PolarHBondContact OH-NH2 2.87Å
734	R	76.4	Confident	64.9	Low	184 Å²	184	87.3 Å²	87.3	69%	0.694	46%	0.456	S	S	*	.	S	Bend	trans	-76.4	-30.1	-178.2	-173.9	174.6	173.8	175.5	-2	112.2	G792	R734-G792 PolarHBondContact N-O 2.81Å
735	Y	83.9	Confident	67.8	Low	31 Å²	31	79.1 Å²	79.1	12%	0.122	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.9	-178.4	-57.8	-86.9	0	0	0	112.1	C770 D775 G792 S793 R794	Y735-C770 HydrophobicContact CD1-CB 3.63Å; Y735-C770 HydrophobicContact CD2-CB 3.7Å; Y735-C770 HydrophobicContact CE1-CB 3.83Å; Y735-C770 HydrophobicContact CE2-CB 3.93Å; Y735-C770 HydrophobicContact CG-CB 3.55Å; Y735-D775 PolarHBondContact OH-OD1 3.44Å; Y735-G792 PolarHBondContact N-O 3.18Å; Y735-G792 VanDerWaalsContact N-O 3.16Å; Y735-S793 WeakPolarHBondContact O-CA 3.32Å; Y735-R794 PolarHBondContact O-N 2.81Å
736	D	85.2	Confident	70.4	Confident	20 Å²	20	75 Å²	75	11%	0.107	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-32.8	177.2	-63.4	-54.4	0	0	0	111.7	L767 R768 R794 K795	D736-L767 HydrophobicContact CB-CB 4.38Å; D736-L767 HydrophobicContact CB-CD2 3.84Å; D736-R768 PolarHBondContact N-O 2.99Å; D736-R768 PolarHBondContact OD2-N 3.35Å; D736-R768 IonicContact OD2-NE 3.41Å; D736-R794 WeakPolarHBondContact O-CB 3.46Å; D736-K795 PolarHBondContact O-N 3.33Å
737	A	88.2	Confident	73.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	145.1	168.4	0	0	0	0	0	112.7	F739 L769 C770 K795 V797 I878	A737-F739 HydrophobicContact CB-CD2 4.32Å; A737-F739 HydrophobicContact CB-CE2 4.18Å; A737-L769 HydrophobicContact CB-CD2 3.96Å; A737-L769 WeakPolarHBondContact O-CA 3.18Å; A737-C770 PolarHBondContact O-N 2.98Å; A737-K795 CarbonylContact C-O 3.05Å; A737-K795 VanDerWaalsContact CA-O 3.23Å; A737-K795 WeakPolarHBondContact CA-O 3.39Å; A737-K795 HydrophobicContact CB-CB 4.25Å; A737-V797 HydrophobicContact CB-CG2 4.17Å; A737-I878 HydrophobicContact CB-CD1 4.37Å; A737-I878 HydrophobicContact CB-CG1 4.44Å; A737-I878 HydrophobicContact CB-CG2 4Å
738	Y	92.3	Very high	76.1	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.8	165.7	170.7	-130.4	0	0	0	109	C740 C770 F776 A789 V790 S793 K795 T796 V797 A813	Y738-C740 HydrophobicContact CD1-CB 4.45Å; Y738-C740 HydrophobicContact CE1-CB 3.86Å; Y738-C770 CarbonylContact C-O 3.55Å; Y738-C770 WeakPolarHBondContact CA-O 3.39Å; Y738-C770 HydrophobicContact CD2-CB 4.22Å; Y738-C770 VanDerWaalsContact CD2-O 3.29Å; Y738-C770 WeakPolarHBondContact CD2-O 3.49Å; Y738-F776 HydrophobicContact CE2-CE1 4.34Å; Y738-A789 HydrophobicContact CD1-CB 4.33Å; Y738-A789 HydrophobicContact CD2-CB 3.72Å; Y738-A789 HydrophobicContact CE1-CB 4.39Å; Y738-A789 HydrophobicContact CE2-CB 3.8Å; Y738-A789 HydrophobicContact CG-CB 4.02Å; Y738-V790 HydrophobicContact CD1-CG2 3.73Å; Y738-V790 HydrophobicContact CE1-CG2 3.87Å; Y738-S793 WeakPolarHBondContact CB-OG 3.49Å; Y738-S793 PolarHBondContact N-OG 2.99Å; Y738-K795 PolarHBondContact N-O 2.9Å; Y738-T796 HydrophobicContact CD1-CG2 3.69Å; Y738-T796 HydrophobicContact CE1-CG2 4.38Å; Y738-T796 CarbonylContact O-C 3.41Å; Y738-T796 WeakPolarHBondContact O-CA 3.4Å; Y738-V797 PolarHBondContact O-N 3.17Å; Y738-A813 HydrophobicContact CE1-CB 4.26Å
739	F	91.8	Very high	78.5	Confident	2 Å²	2	64 Å²	64	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.1	174.8	-91.5	-117.2	0	0	0	109.4	A737 F741 L753 L757 L769 C770 F771 V797 L799 L874 I878	A737-F739 HydrophobicContact CB-CD2 4.32Å; A737-F739 HydrophobicContact CB-CE2 4.18Å; F739-F741 HydrophobicContact CB-CD1 4.2Å; F739-F741 HydrophobicContact CB-CE1 4.16Å; F739-L753 HydrophobicContact CE1-CB 4.39Å; F739-L753 HydrophobicContact CE1-CD1 4.34Å; F739-L757 HydrophobicContact CZ-CD1 4.08Å; F739-L769 HydrophobicContact CD2-CB 4.49Å; F739-L769 HydrophobicContact CD2-CD1 3.98Å; F739-L769 HydrophobicContact CD2-CD2 4.02Å; F739-L769 HydrophobicContact CD2-CG 4.4Å; F739-L769 HydrophobicContact CE2-CD1 3.75Å; F739-L769 HydrophobicContact CE2-CD2 3.75Å; F739-L769 HydrophobicContact CE2-CG 4.34Å; F739-L769 HydrophobicContact CZ-CD1 4.19Å; F739-C770 PolarHBondContact N-O 3.02Å; F739-F771 HydrophobicContact CB-CB 4.39Å; F739-V797 WeakPolarHBondContact CA-O 3.39Å; F739-V797 HydrophobicContact CD1-CG1 4.49Å; F739-V797 HydrophobicContact CD2-CB 4.1Å; F739-V797 HydrophobicContact CD2-CG2 4.3Å; F739-V797 HydrophobicContact CE1-CB 4.49Å; F739-V797 HydrophobicContact CE1-CG1 4.15Å; F739-V797 HydrophobicContact CE2-CB 4.01Å; F739-V797 HydrophobicContact CE2-CG1 4.41Å; F739-V797 HydrophobicContact CE2-CG2 3.87Å; F739-V797 HydrophobicContact CG-CB 4.37Å; F739-V797 HydrophobicContact CZ-CB 4.22Å; F739-V797 HydrophobicContact CZ-CG1 4.11Å; F739-V797 HydrophobicContact CZ-CG2 4.26Å; F739-L799 HydrophobicContact CD1-CD1 4.39Å; F739-L874 HydrophobicContact CZ-CD2 4.49Å; F739-I878 HydrophobicContact CE2-CD1 4.2Å; F739-I878 HydrophobicContact CZ-CD1 4.39Å
740	C	91.1	Very high	80.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.02	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.4	179	178.2	0	0	0	0	109.2	Y738 V797 C798 L799 A813	Y738-C740 HydrophobicContact CD1-CB 4.45Å; Y738-C740 HydrophobicContact CE1-CB 3.86Å; C740-V797 PolarHBondContact N-O 3.17Å; C740-C798 CarbonylContact O-C 3.21Å; C740-C798 WeakPolarHBondContact O-CA 3.34Å; C740-L799 PolarHBondContact O-N 3.29Å; C740-A813 HydrophobicContact CB-CB 4.5Å; C740-A813 WeakPolarHBondContact SG-CB 3.42Å
741	F	91.1	Very high	82.6	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.026	28%	0.276	C	S	.	.			trans	-148.6	160.8	178.3	58.1	-95.3	0	0	0	109	F739 F746 A749 F771 L799 C810	F739-F741 HydrophobicContact CB-CD1 4.2Å; F739-F741 HydrophobicContact CB-CE1 4.16Å; F741-F746 HydrophobicContact CE2-CB 4.14Å; F741-F746 AromaticContact CE2-CD2 3.8Å; F741-F746 HydrophobicContact CE2-CD2 3.8Å; F741-F746 HydrophobicContact CE2-CG 4.48Å; F741-F746 AromaticContact CZ-CD2 3.93Å; F741-F746 HydrophobicContact CZ-CD2 3.93Å; F741-A749 HydrophobicContact CD1-CB 4.27Å; F741-A749 HydrophobicContact CD2-CB 4.15Å; F741-A749 HydrophobicContact CE1-CB 4.32Å; F741-A749 HydrophobicContact CE2-CB 4.23Å; F741-A749 HydrophobicContact CG-CB 4.2Å; F741-A749 HydrophobicContact CZ-CB 4.32Å; F741-F771 HydrophobicContact CE1-CB 3.84Å; F741-F771 HydrophobicContact CE1-CG 4.25Å; F741-F771 HydrophobicContact CZ-CB 4.12Å; F741-F771 HydrophobicContact CZ-CD2 4.12Å; F741-F771 HydrophobicContact CZ-CG 4.25Å; F741-L799 HydrophobicContact CB-CB 3.85Å; F741-L799 HydrophobicContact CB-CD1 3.79Å; F741-L799 HydrophobicContact CB-CG 4.05Å; F741-L799 HydrophobicContact CD1-CD1 4.01Å; F741-L799 HydrophobicContact CG-CD1 4.13Å; F741-C810 VanDerWaalsContact C-SG 3.57Å
742	S	89.3	Confident	84	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.042	26%	0.263	C	S	.	.			trans	-77.1	141.2	178.3	-172.6	0	0	0	0	110.1	K744 D745 D807	S742-K744 PolarHBondContact O-N 3.14Å; S742-D745 PolarHBondContact O-N 3.46Å; S742-D807 WeakPolarHBondContact CB-OD2 3.41Å; S742-D807 PolarHBondContact OG-OD2 3.44Å
743	S	83.4	Confident	85.1	Confident	56 Å²	56	48.9 Å²	48.9	39%	0.392	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.5	179.3	-48.2	0	0	0	0	113.9	D745 F746 E773	S743-D745 PolarHBondContact O-N 3.44Å; S743-F746 VanDerWaalsContact O-CB 3.3Å; S743-F746 WeakPolarHBondContact O-CB 3.5Å; S743-F746 PolarHBondContact O-N 3.4Å; S743-E773 WeakPolarHBondContact CA-OE1 3.25Å; S743-E773 WeakPolarHBondContact CB-OE1 3.39Å; S743-E773 PolarHBondContact OG-OE1 2.94Å
744	K	85.6	Confident	85.9	Confident	173 Å²	173	45 Å²	45	75%	0.752	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-69.6	-17.9	173.8	-66.8	-174.4	178.7	179.1	0	113.9	S742	S742-K744 PolarHBondContact O-N 3.14Å
745	D	87.5	Confident	86	Confident	35 Å²	35	40.8 Å²	40.8	19%	0.187	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-103.9	8.9	177.3	-59.8	-40	0	0	0	111.9	S742 S743 E747 W748 A749 S801	S742-D745 PolarHBondContact O-N 3.46Å; S743-D745 PolarHBondContact O-N 3.44Å; D745-E747 PolarHBondContact O-N 3.07Å; D745-W748 PolarHBondContact O-N 3Å; D745-A749 WeakPolarHBondContact O-CB 3.41Å; D745-A749 PolarHBondContact O-N 3.47Å; D745-S801 VanDerWaalsContact OD2-CB 3.3Å; D745-S801 WeakPolarHBondContact OD2-CB 3.49Å; D745-S801 PolarHBondContact OD2-OG 2.76Å
746	F	86.4	Confident	85.7	Confident	53 Å²	53	44.2 Å²	44.2	23%	0.232	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-46.4	-175.2	175.7	-102.6	0	0	0	112.9	F741 S743 W748 A749 Q750 L754 F771 E773	F741-F746 HydrophobicContact CE2-CB 4.14Å; F741-F746 AromaticContact CE2-CD2 3.8Å; F741-F746 HydrophobicContact CE2-CD2 3.8Å; F741-F746 HydrophobicContact CE2-CG 4.48Å; F741-F746 AromaticContact CZ-CD2 3.93Å; F741-F746 HydrophobicContact CZ-CD2 3.93Å; S743-F746 VanDerWaalsContact O-CB 3.3Å; S743-F746 WeakPolarHBondContact O-CB 3.5Å; S743-F746 PolarHBondContact O-N 3.4Å; F746-W748 VanDerWaalsContact C-N 3.27Å; F746-W748 PolarHBondContact O-N 2.77Å; F746-A749 PolarHBondContact O-N 3.13Å; F746-Q750 VanDerWaalsContact CE1-OE1 3.24Å; F746-Q750 HydrophobicContact CZ-CB 4.45Å; F746-Q750 VanDerWaalsContact O-CB 3.26Å; F746-Q750 WeakPolarHBondContact O-CB 3.44Å; F746-Q750 PolarHBondContact O-N 2.78Å; F746-L754 HydrophobicContact CE2-CD1 4.47Å; F746-F771 AromaticContact CE2-CE2 3.99Å; F746-F771 HydrophobicContact CE2-CE2 3.99Å; F746-E773 HydrophobicContact CD2-CB 4.42Å; F746-E773 HydrophobicContact CD2-CG 4.13Å; F746-E773 HydrophobicContact CE2-CB 4.28Å; F746-E773 HydrophobicContact CE2-CG 4.47Å
747	E	84.2	Confident	85.3	Confident	148 Å²	148	43.9 Å²	43.9	69%	0.692	21%	0.21	S	C	*	.	H	α-helix	trans	-60.9	-38.9	-179	-169.9	-177.9	-176.5	0	0	111.8	D745 N751	D745-E747 PolarHBondContact O-N 3.07Å; E747-N751 WeakPolarHBondContact O-CB 3.41Å; E747-N751 PolarHBondContact O-N 3.31Å; E747-N751 PolarHBondContact O-ND2 3.13Å
748	W	89.3	Confident	85	Confident	86 Å²	86	44 Å²	44	33%	0.326	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-48.7	174.4	-179.4	88	0	0	0	111.3	D745 F746 Q750 N751 A752 L753 L799 V834 W860	D745-W748 PolarHBondContact O-N 3Å; F746-W748 VanDerWaalsContact C-N 3.27Å; F746-W748 PolarHBondContact O-N 2.77Å; W748-Q750 VanDerWaalsContact C-N 3.29Å; W748-Q750 PolarHBondContact O-N 2.9Å; W748-N751 PolarHBondContact O-N 2.62Å; W748-A752 HydrophobicContact CD2-CB 4.28Å; W748-A752 HydrophobicContact CH2-CB 4.37Å; W748-A752 HydrophobicContact CZ2-CB 3.98Å; W748-A752 VanDerWaalsContact O-CB 3.23Å; W748-A752 WeakPolarHBondContact O-CB 3.35Å; W748-A752 PolarHBondContact O-N 3.19Å; W748-L753 HydrophobicContact CH2-CD1 4.07Å; W748-L753 HydrophobicContact CZ3-CD1 3.79Å; W748-L799 HydrophobicContact CZ3-CD1 4.25Å; W748-V834 HydrophobicContact CD2-CG1 4.19Å; W748-V834 HydrophobicContact CE3-CG1 4.13Å; W748-V834 HydrophobicContact CH2-CB 4.05Å; W748-V834 HydrophobicContact CH2-CG1 3.37Å; W748-V834 HydrophobicContact CH2-CG2 3.42Å; W748-V834 VanDerWaalsContact CH2-CG2 3.42Å; W748-V834 HydrophobicContact CZ2-CB 4.49Å; W748-V834 HydrophobicContact CZ2-CG1 3.39Å; W748-V834 HydrophobicContact CZ2-CG2 4.26Å; W748-V834 HydrophobicContact CZ3-CB 4.3Å; W748-V834 HydrophobicContact CZ3-CG1 3.74Å; W748-V834 HydrophobicContact CZ3-CG2 3.68Å; W748-W860 AromaticContact CH2-CD2 3.97Å; W748-W860 HydrophobicContact CH2-CD2 3.97Å; W748-W860 AromaticContact CH2-CE3 3.98Å; W748-W860 HydrophobicContact CH2-CE3 3.98Å; W748-W860 HydrophobicContact CH2-CG 4.38Å; W748-W860 HydrophobicContact CH2-CZ3 4.38Å; W748-W860 AromaticContact CZ2-CD2 3.72Å; W748-W860 HydrophobicContact CZ2-CD2 3.72Å; W748-W860 AromaticContact CZ2-CE2 3.73Å; W748-W860 HydrophobicContact CZ2-CE3 4.15Å; W748-W860 HydrophobicContact CZ2-CG 4.03Å; W748-W860 HydrophobicContact CZ2-CZ2 4.17Å
749	A	85.6	Confident	83.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-38.1	179.8	0	0	0	0	0	111.9	F741 D745 F746 L753 L754 L799	F741-A749 HydrophobicContact CD1-CB 4.27Å; F741-A749 HydrophobicContact CD2-CB 4.15Å; F741-A749 HydrophobicContact CE1-CB 4.32Å; F741-A749 HydrophobicContact CE2-CB 4.23Å; F741-A749 HydrophobicContact CG-CB 4.2Å; F741-A749 HydrophobicContact CZ-CB 4.32Å; D745-A749 WeakPolarHBondContact O-CB 3.41Å; D745-A749 PolarHBondContact O-N 3.47Å; F746-A749 PolarHBondContact O-N 3.13Å; A749-L753 WeakPolarHBondContact O-CA 3.13Å; A749-L753 WeakPolarHBondContact O-CB 3.31Å; A749-L753 PolarHBondContact O-N 2.91Å; A749-L754 PolarHBondContact O-N 3.16Å; A749-L799 HydrophobicContact CB-CD1 4.08Å
750	Q	83.5	Confident	82.3	Confident	50 Å²	50	52.7 Å²	52.7	23%	0.234	26%	0.259	C	S	.	.	I	π-helix	trans	-63.3	-49.8	177.1	-172.1	-177	1.6	0	0	111.3	F746 W748 L754 K755 Y761	F746-Q750 VanDerWaalsContact CE1-OE1 3.24Å; F746-Q750 HydrophobicContact CZ-CB 4.45Å; F746-Q750 VanDerWaalsContact O-CB 3.26Å; F746-Q750 WeakPolarHBondContact O-CB 3.44Å; F746-Q750 PolarHBondContact O-N 2.78Å; W748-Q750 VanDerWaalsContact C-N 3.29Å; W748-Q750 PolarHBondContact O-N 2.9Å; Q750-L754 HydrophobicContact CB-CD1 4.49Å; Q750-K755 WeakPolarHBondContact O-CG 3.02Å; Q750-K755 PolarHBondContact O-N 2.7Å; Q750-Y761 HydrophobicContact CG-CE1 4.49Å
751	N	81.2	Confident	80.8	Confident	70 Å²	70	56.7 Å²	56.7	37%	0.374	27%	0.274	S	S	.	.	I	π-helix	trans	-74.2	-39.8	-176.1	-73	-39.8	0	0	0	113.3	E747 W748 K755	E747-N751 WeakPolarHBondContact O-CB 3.41Å; E747-N751 PolarHBondContact O-N 3.31Å; E747-N751 PolarHBondContact O-ND2 3.13Å; W748-N751 PolarHBondContact O-N 2.62Å; N751-K755 WeakPolarHBondContact OD1-CE 3.3Å; N751-K755 PolarHBondContact OD1-NZ 2.82Å
752	A	81	Confident	78.9	Confident	17 Å²	17	58.2 Å²	58.2	14%	0.14	29%	0.286	C	S	.	.	I	π-helix	trans	-89.8	-28.4	-173.1	0	0	0	0	0	114.1	W748 H756 W860	W748-A752 HydrophobicContact CD2-CB 4.28Å; W748-A752 HydrophobicContact CH2-CB 4.37Å; W748-A752 HydrophobicContact CZ2-CB 3.98Å; W748-A752 VanDerWaalsContact O-CB 3.23Å; W748-A752 WeakPolarHBondContact O-CB 3.35Å; W748-A752 PolarHBondContact O-N 3.19Å; A752-H756 PolarHBondContact O-CD2 3.23Å; A752-W860 HydrophobicContact CB-CH2 3.88Å; A752-W860 HydrophobicContact CB-CZ2 4.01Å
753	L	83.1	Confident	77.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	I	π-helix	trans	-122.9	-56.6	-173.8	-71.9	159.4	0	0	0	112.6	F739 W748 A749 K755 H756 L757 L799 W860 F870 L871 L874	F739-L753 HydrophobicContact CE1-CB 4.39Å; F739-L753 HydrophobicContact CE1-CD1 4.34Å; W748-L753 HydrophobicContact CH2-CD1 4.07Å; W748-L753 HydrophobicContact CZ3-CD1 3.79Å; A749-L753 WeakPolarHBondContact O-CA 3.13Å; A749-L753 WeakPolarHBondContact O-CB 3.31Å; A749-L753 PolarHBondContact O-N 2.91Å; L753-K755 PolarHBondContact O-N 3.08Å; L753-H756 PolarHBondContact O-N 3.14Å; L753-H756 VanDerWaalsContact O-N 3.09Å; L753-L757 HydrophobicContact CD2-CD1 3.92Å; L753-L757 WeakPolarHBondContact O-CB 3.46Å; L753-L757 PolarHBondContact O-N 3.36Å; L753-L799 HydrophobicContact CD1-CD1 3.45Å; L753-L799 VanDerWaalsContact CD1-CD1 3.45Å; L753-L799 HydrophobicContact CD1-CD2 3.7Å; L753-L799 HydrophobicContact CD1-CG 4.25Å; L753-W860 HydrophobicContact CD2-CZ3 3.97Å; L753-W860 HydrophobicContact CG-CZ3 4.22Å; L753-F870 HydrophobicContact CD2-CE1 4.35Å; L753-L871 HydrophobicContact CD2-CD2 3.76Å; L753-L874 HydrophobicContact CD2-CD2 3.77Å
754	L	83.6	Confident	75.7	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	35%	0.349	C	S	.	.	I	π-helix	trans	-66.5	-41.3	-168.8	-59.2	176.7	0	0	0	112.7	F746 A749 Q750 H756 L757 D758 Y761 L769 F771	F746-L754 HydrophobicContact CE2-CD1 4.47Å; A749-L754 PolarHBondContact O-N 3.16Å; Q750-L754 HydrophobicContact CB-CD1 4.49Å; L754-H756 PolarHBondContact O-N 3.02Å; L754-H756 VanDerWaalsContact O-N 3.16Å; L754-L757 PolarHBondContact O-N 2.87Å; L754-D758 WeakPolarHBondContact O-CB 3.42Å; L754-D758 PolarHBondContact O-N 3.39Å; L754-Y761 HydrophobicContact CB-CD2 4.32Å; L754-Y761 HydrophobicContact CB-CE2 4.35Å; L754-L769 HydrophobicContact CD2-CD1 4.05Å; L754-F771 HydrophobicContact CD1-CD1 4.27Å; L754-F771 HydrophobicContact CD1-CE1 3.9Å; L754-F771 HydrophobicContact CD1-CE2 4.35Å; L754-F771 HydrophobicContact CD1-CZ 3.96Å; L754-F771 HydrophobicContact CD2-CD1 4.18Å; L754-F771 HydrophobicContact CD2-CE1 4.17Å
755	K	79.9	Confident	74.7	Confident	95 Å²	95	65.9 Å²	65.9	41%	0.413	32%	0.323	S	S	.	.	H	α-helix	trans	-56.4	-30.8	174.1	-79.6	-179.5	-179.1	171.9	0	113.2	Q750 N751 L753 N765	Q750-K755 WeakPolarHBondContact O-CG 3.02Å; Q750-K755 PolarHBondContact O-N 2.7Å; N751-K755 WeakPolarHBondContact OD1-CE 3.3Å; N751-K755 PolarHBondContact OD1-NZ 2.82Å; L753-K755 PolarHBondContact O-N 3.08Å; K755-N765 PolarHBondContact O-ND2 3.11Å
756	H	76.4	Confident	73.5	Confident	103 Å²	103	75.3 Å²	75.3	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-94.4	-22.9	-176.3	-63.9	-68.2	0	0	0	114.1	A752 L753 L754 N765 L871	A752-H756 PolarHBondContact O-CD2 3.23Å; L753-H756 PolarHBondContact O-N 3.14Å; L753-H756 VanDerWaalsContact O-N 3.09Å; L754-H756 PolarHBondContact O-N 3.02Å; L754-H756 VanDerWaalsContact O-N 3.16Å; H756-N765 PolarHBondContact O-ND2 2.98Å; H756-N765 PolarHBondContact O-OD1 2.79Å; H756-L871 HydrophobicContact CB-CD1 3.89Å
757	L	77.3	Confident	73.1	Confident	12 Å²	12	73 Å²	73	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-115.9	-29.5	-171.1	-63.9	173.6	0	0	0	114.3	F739 L753 L754 L769 L871 L874	F739-L757 HydrophobicContact CZ-CD1 4.08Å; L753-L757 HydrophobicContact CD2-CD1 3.92Å; L753-L757 WeakPolarHBondContact O-CB 3.46Å; L753-L757 PolarHBondContact O-N 3.36Å; L754-L757 PolarHBondContact O-N 2.87Å; L757-L769 HydrophobicContact CB-CD1 4.01Å; L757-L871 HydrophobicContact CD1-CD2 4.1Å; L757-L871 HydrophobicContact CG-CD2 4.3Å; L757-L874 HydrophobicContact CD1-CD2 3.95Å
758	D	81.1	Confident	73	Confident	2 Å²	2	72 Å²	72	1%	0.011	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-88.5	134.7	-173.3	-171	50.6	0	0	0	112.6	L754 Q760 Y761 N765 L769 R774	L754-D758 WeakPolarHBondContact O-CB 3.42Å; L754-D758 PolarHBondContact O-N 3.39Å; D758-Q760 VanDerWaalsContact C-N 3.27Å; D758-Q760 PolarHBondContact O-N 3Å; D758-Q760 PolarHBondContact OD2-N 2.61Å; D758-Y761 HydrophobicContact CB-CD2 3.9Å; D758-Y761 PolarHBondContact O-N 3.1Å; D758-Y761 VanDerWaalsContact OD2-CD2 3.26Å; D758-Y761 WeakPolarHBondContact OD2-CD2 3.34Å; D758-N765 WeakPolarHBondContact O-CB 3.21Å; D758-N765 PolarHBondContact O-ND2 3.27Å; D758-L769 HydrophobicContact CB-CD1 3.96Å; D758-L769 HydrophobicContact CB-CG 4.25Å; D758-L769 WeakPolarHBondContact OD1-CB 3.34Å; D758-L769 PolarHBondContact OD1-N 3.02Å; D758-R774 IonicContact OD1-NH2 3.9Å; D758-R774 PolarHBondContact OD1-NH2 2.91Å; D758-R774 IonicContact OD2-CZ 2.96Å; D758-R774 IonicContact OD2-NH1 2.66Å; D758-R774 PolarHBondContact OD2-NH1 2.91Å; D758-R774 IonicContact OD2-NH2 3.33Å; D758-R774 PolarHBondContact OD2-NH2 3.22Å
759	A	66.2	Low	73	Confident	44 Å²	44	68 Å²	68	36%	0.364	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22	-178.2	0	0	0	0	0	114.6	L767	A759-L767 WeakPolarHBondContact CB-O 3.47Å; A759-L767 PolarHBondContact N-O 3.16Å
760	Q	62.5	Low	73.1	Confident	146 Å²	146	68.1 Å²	68.1	68%	0.682	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-19	179.2	-66.2	-173.9	-6.6	0	0	113.6	D758	D758-Q760 VanDerWaalsContact C-N 3.27Å; D758-Q760 PolarHBondContact O-N 3Å; D758-Q760 PolarHBondContact OD2-N 2.61Å
761	Y	59.1	Low	73.4	Confident	87 Å²	87	65.8 Å²	65.8	34%	0.341	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.1	180	-72.9	-82.4	0	0	0	113.8	Q750 L754 D758 F771	Q750-Y761 HydrophobicContact CG-CE1 4.49Å; L754-Y761 HydrophobicContact CB-CD2 4.32Å; L754-Y761 HydrophobicContact CB-CE2 4.35Å; D758-Y761 HydrophobicContact CB-CD2 3.9Å; D758-Y761 PolarHBondContact O-N 3.1Å; D758-Y761 VanDerWaalsContact OD2-CD2 3.26Å; D758-Y761 WeakPolarHBondContact OD2-CD2 3.34Å; Y761-F771 HydrophobicContact CE2-CZ 4.28Å
762	S	51.8	Low	73.6	Confident	38 Å²	38	64.7 Å²	64.7	27%	0.266	30%	0.304	S	S	.	.			trans	-158.1	135.3	176.2	151.6	0	0	0	0	111.9	R764 N765	S762-R764 PolarHBondContact O-N 2.8Å; S762-R764 PolarHBondContact OG-N 3.32Å; S762-N765 WeakPolarHBondContact CB-ND2 3.43Å; S762-N765 PolarHBondContact O-N 3.1Å; S762-N765 PolarHBondContact OG-OD1 2.87Å
763	S	52.4	Low	73.7	Confident	130 Å²	130	67.4 Å²	67.4	91%	0.909	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.9	179.1	57	0	0	0	0	114.5
764	R	52.5	Low	73.8	Confident	226 Å²	226	70.7 Å²	70.7	85%	0.853	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.3	176.8	-68	-174.5	175.2	-178	-0.7	113.8	S762	S762-R764 PolarHBondContact O-N 2.8Å; S762-R764 PolarHBondContact OG-N 3.32Å
765	N	64	Low	73.8	Confident	39 Å²	39	72.6 Å²	72.6	21%	0.209	34%	0.336	C	S	.	.			trans	-92.5	156	-169.4	-65.9	-4.7	0	0	0	113.2	K755 H756 D758 S762	K755-N765 PolarHBondContact O-ND2 3.11Å; H756-N765 PolarHBondContact O-ND2 2.98Å; H756-N765 PolarHBondContact O-OD1 2.79Å; D758-N765 WeakPolarHBondContact O-CB 3.21Å; D758-N765 PolarHBondContact O-ND2 3.27Å; S762-N765 WeakPolarHBondContact CB-ND2 3.43Å; S762-N765 PolarHBondContact O-N 3.1Å; S762-N765 PolarHBondContact OG-OD1 2.87Å
766	R	63	Low	74.2	Confident	233 Å²	233	69.5 Å²	69.5	88%	0.879	32%	0.322	S	S	*	.			trans	-117.9	-8.8	-169.9	-66.6	-175.9	175.9	-179.4	-1	116.1
767	L	77.4	Confident	74.4	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-110.1	137.3	-173.6	-61.6	171.3	0	0	0	112.1	D736 A759 L769 I878 L879	D736-L767 HydrophobicContact CB-CB 4.38Å; D736-L767 HydrophobicContact CB-CD2 3.84Å; A759-L767 WeakPolarHBondContact CB-O 3.47Å; A759-L767 PolarHBondContact N-O 3.16Å; L767-L769 HydrophobicContact CB-CD2 3.99Å; L767-L769 HydrophobicContact CB-CG 4.47Å; L767-I878 HydrophobicContact CD1-CD1 4.18Å; L767-I878 HydrophobicContact CD1-CG2 4.19Å; L767-I878 HydrophobicContact CD2-CG2 4.12Å; L767-L879 HydrophobicContact CD2-CD2 3.67Å; L767-L879 HydrophobicContact CD2-CG 4.1Å
768	R	82.8	Confident	74.3	Confident	127 Å²	127	75.1 Å²	75.1	48%	0.479	36%	0.362	S	S	.	.			trans	-91.8	107.6	169.9	-68.1	176.5	-71.5	177.9	0.4	109.6	D736	D736-R768 PolarHBondContact N-O 2.99Å; D736-R768 PolarHBondContact OD2-N 3.35Å; D736-R768 IonicContact OD2-NE 3.41Å
769	L	88	Confident	73.9	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.4	-177.6	-53.9	-175.4	0	0	0	112.1	A737 F739 L754 L757 D758 L767 R774	A737-L769 HydrophobicContact CB-CD2 3.96Å; A737-L769 WeakPolarHBondContact O-CA 3.18Å; F739-L769 HydrophobicContact CD2-CB 4.49Å; F739-L769 HydrophobicContact CD2-CD1 3.98Å; F739-L769 HydrophobicContact CD2-CD2 4.02Å; F739-L769 HydrophobicContact CD2-CG 4.4Å; F739-L769 HydrophobicContact CE2-CD1 3.75Å; F739-L769 HydrophobicContact CE2-CD2 3.75Å; F739-L769 HydrophobicContact CE2-CG 4.34Å; F739-L769 HydrophobicContact CZ-CD1 4.19Å; L754-L769 HydrophobicContact CD2-CD1 4.05Å; L757-L769 HydrophobicContact CB-CD1 4.01Å; D758-L769 HydrophobicContact CB-CD1 3.96Å; D758-L769 HydrophobicContact CB-CG 4.25Å; D758-L769 WeakPolarHBondContact OD1-CB 3.34Å; D758-L769 PolarHBondContact OD1-N 3.02Å; L767-L769 HydrophobicContact CB-CD2 3.99Å; L767-L769 HydrophobicContact CB-CG 4.47Å; L769-R774 PolarHBondContact O-NH2 2.91Å
770	C	88.4	Confident	74.7	Confident	4 Å²	4	82.6 Å²	82.6	3%	0.027	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.2	172.3	177.4	0	0	0	0	110	Y735 A737 Y738 F739 D775	Y735-C770 HydrophobicContact CD1-CB 3.63Å; Y735-C770 HydrophobicContact CD2-CB 3.7Å; Y735-C770 HydrophobicContact CE1-CB 3.83Å; Y735-C770 HydrophobicContact CE2-CB 3.93Å; Y735-C770 HydrophobicContact CG-CB 3.55Å; A737-C770 PolarHBondContact O-N 2.98Å; Y738-C770 CarbonylContact C-O 3.55Å; Y738-C770 WeakPolarHBondContact CA-O 3.39Å; Y738-C770 HydrophobicContact CD2-CB 4.22Å; Y738-C770 VanDerWaalsContact CD2-O 3.29Å; Y738-C770 WeakPolarHBondContact CD2-O 3.49Å; F739-C770 PolarHBondContact N-O 3.02Å; C770-D775 WeakPolarHBondContact CA-OD2 3.39Å
771	F	89.7	Confident	75.7	Confident	2 Å²	2	80 Å²	80	1%	0.009	40%	0.404	C	S	.	.			trans	-155.1	163.5	171.9	56.4	-89.9	0	0	0	112.1	F739 F741 F746 L754 Y761 E773 R774 D775	F739-F771 HydrophobicContact CB-CB 4.39Å; F741-F771 HydrophobicContact CE1-CB 3.84Å; F741-F771 HydrophobicContact CE1-CG 4.25Å; F741-F771 HydrophobicContact CZ-CB 4.12Å; F741-F771 HydrophobicContact CZ-CD2 4.12Å; F741-F771 HydrophobicContact CZ-CG 4.25Å; F746-F771 AromaticContact CE2-CE2 3.99Å; F746-F771 HydrophobicContact CE2-CE2 3.99Å; L754-F771 HydrophobicContact CD1-CD1 4.27Å; L754-F771 HydrophobicContact CD1-CE1 3.9Å; L754-F771 HydrophobicContact CD1-CE2 4.35Å; L754-F771 HydrophobicContact CD1-CZ 3.96Å; L754-F771 HydrophobicContact CD2-CD1 4.18Å; L754-F771 HydrophobicContact CD2-CE1 4.17Å; Y761-F771 HydrophobicContact CE2-CZ 4.28Å; F771-E773 HydrophobicContact CD2-CB 4.39Å; F771-E773 HydrophobicContact CE2-CB 4.44Å; F771-R774 HydrophobicContact CD2-CB 4.14Å; F771-R774 VanDerWaalsContact CE1-CZ 3.47Å; F771-R774 HydrophobicContact CE2-CB 3.49Å; F771-R774 VanDerWaalsContact CE2-CB 3.49Å; F771-R774 HydrophobicContact CZ-CB 3.71Å; F771-R774 HydrophobicContact CZ-CG 4.47Å; F771-R774 PolarHBondContact O-N 3.37Å; F771-D775 PolarHBondContact N-OD2 3.06Å; F771-D775 WeakPolarHBondContact O-CB 3.26Å; F771-D775 PolarHBondContact O-N 2.83Å
772	E	86	Confident	76.7	Confident	47 Å²	47	77.9 Å²	77.9	22%	0.22	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-50.5	-166.6	176.9	174.8	163.2	0	0	114.1	R774 F776 H782	E772-R774 PolarHBondContact O-N 2.93Å; E772-F776 HydrophobicContact CB-CD2 4.24Å; E772-F776 HydrophobicContact CB-CE1 4.38Å; E772-F776 HydrophobicContact CB-CE2 4.11Å; E772-F776 HydrophobicContact CB-CG 4.44Å; E772-F776 HydrophobicContact CB-CZ 4.17Å; E772-F776 HydrophobicContact CG-CD2 3.69Å; E772-F776 HydrophobicContact CG-CE2 3.78Å; E772-F776 HydrophobicContact CG-CG 4.2Å; E772-F776 HydrophobicContact CG-CZ 4.36Å; E772-F776 WeakPolarHBondContact O-CB 3.26Å; E772-F776 PolarHBondContact O-N 2.94Å; E772-H782 IonicContact OE1-CE1 3.18Å; E772-H782 PolarHBondContact OE1-CE1 2.77Å; E772-H782 IonicContact OE1-NE2 2.77Å; E772-H782 IonicContact OE2-CE1 3.72Å; E772-H782 IonicContact OE2-NE2 3.92Å
773	E	82.1	Confident	78.3	Confident	73 Å²	73	78.9 Å²	78.9	34%	0.341	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-13.7	-171.4	-65.6	76	-171.8	0	0	113.9	S743 F746 F771	S743-E773 WeakPolarHBondContact CA-OE1 3.25Å; S743-E773 WeakPolarHBondContact CB-OE1 3.39Å; S743-E773 PolarHBondContact OG-OE1 2.94Å; F746-E773 HydrophobicContact CD2-CB 4.42Å; F746-E773 HydrophobicContact CD2-CG 4.13Å; F746-E773 HydrophobicContact CE2-CB 4.28Å; F746-E773 HydrophobicContact CE2-CG 4.47Å; F771-E773 HydrophobicContact CD2-CB 4.39Å; F771-E773 HydrophobicContact CE2-CB 4.44Å
774	R	85.9	Confident	79.8	Confident	69 Å²	69	75 Å²	75	26%	0.26	37%	0.372	S	S	.	.	H	α-helix	trans	-116.6	-45.8	-178.1	-176.7	178.1	69.6	-172.2	-3.5	113.5	D758 L769 F771 E772	D758-R774 IonicContact OD1-NH2 3.9Å; D758-R774 PolarHBondContact OD1-NH2 2.91Å; D758-R774 IonicContact OD2-CZ 2.96Å; D758-R774 IonicContact OD2-NH1 2.66Å; D758-R774 PolarHBondContact OD2-NH1 2.91Å; D758-R774 IonicContact OD2-NH2 3.33Å; D758-R774 PolarHBondContact OD2-NH2 3.22Å; L769-R774 PolarHBondContact O-NH2 2.91Å; F771-R774 HydrophobicContact CD2-CB 4.14Å; F771-R774 VanDerWaalsContact CE1-CZ 3.47Å; F771-R774 HydrophobicContact CE2-CB 3.49Å; F771-R774 VanDerWaalsContact CE2-CB 3.49Å; F771-R774 HydrophobicContact CZ-CB 3.71Å; F771-R774 HydrophobicContact CZ-CG 4.47Å; F771-R774 PolarHBondContact O-N 3.37Å; E772-R774 PolarHBondContact O-N 2.93Å
775	D	83.1	Confident	81.4	Confident	42 Å²	42	65.1 Å²	65.1	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-102.2	-6.4	-163.9	-68	-75.4	0	0	0	113.6	Y735 C770 F771	Y735-D775 PolarHBondContact OH-OD1 3.44Å; C770-D775 WeakPolarHBondContact CA-OD2 3.39Å; F771-D775 PolarHBondContact N-OD2 3.06Å; F771-D775 WeakPolarHBondContact O-CB 3.26Å; F771-D775 PolarHBondContact O-N 2.83Å
776	F	87.4	Confident	82.5	Confident	29 Å²	29	63.3 Å²	63.3	13%	0.127	33%	0.326	C	S	.	.	S	Bend	trans	-79.2	136	178.1	-79.7	21.8	0	0	0	111.4	Y738 E772 P778 H782 N785 I786 A789	Y738-F776 HydrophobicContact CE2-CE1 4.34Å; E772-F776 HydrophobicContact CB-CD2 4.24Å; E772-F776 HydrophobicContact CB-CE1 4.38Å; E772-F776 HydrophobicContact CB-CE2 4.11Å; E772-F776 HydrophobicContact CB-CG 4.44Å; E772-F776 HydrophobicContact CB-CZ 4.17Å; E772-F776 HydrophobicContact CG-CD2 3.69Å; E772-F776 HydrophobicContact CG-CE2 3.78Å; E772-F776 HydrophobicContact CG-CG 4.2Å; E772-F776 HydrophobicContact CG-CZ 4.36Å; E772-F776 WeakPolarHBondContact O-CB 3.26Å; E772-F776 PolarHBondContact O-N 2.94Å; F776-P778 WeakPolarHBondContact O-CD 3.4Å; F776-H782 AromaticContact CD2-CE1 3.81Å; F776-H782 AromaticContact CE2-CE1 3.63Å; F776-H782 AromaticContact CE2-NE2 3.93Å; F776-N785 HydrophobicContact CB-CB 4.41Å; F776-N785 HydrophobicContact CD1-CB 4.08Å; F776-N785 HydrophobicContact CD2-CB 3.58Å; F776-N785 HydrophobicContact CE1-CB 4.23Å; F776-N785 HydrophobicContact CE2-CB 3.76Å; F776-N785 HydrophobicContact CG-CB 3.77Å; F776-N785 HydrophobicContact CZ-CB 4.09Å; F776-I786 HydrophobicContact CE2-CG1 3.9Å; F776-I786 HydrophobicContact CZ-CG1 3.74Å; F776-A789 HydrophobicContact CE1-CB 4.11Å
777	I	82.3	Confident	83.6	Confident	106 Å²	106	56.4 Å²	56.4	54%	0.544	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-82.6	119.8	-177	-58.6	173.4	0	0	0	108.8	G779 E780 N785	I777-G779 PolarHBondContact O-N 3.04Å; I777-E780 HydrophobicContact CB-CB 4.48Å; I777-E780 HydrophobicContact CB-CG 4.4Å; I777-E780 HydrophobicContact CG2-CG 4.33Å; I777-E780 PolarHBondContact O-N 3.18Å; I777-N785 PolarHBondContact N-OD1 2.86Å; I777-N785 PolarHBondContact O-ND2 2.92Å
778	P	74.3	Confident	83.9	Confident	127 Å²	127	59.2 Å²	59.2	83%	0.825	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	131.2	176.8	-21	33.1	0	0	0	111.2	F776	F776-P778 WeakPolarHBondContact O-CD 3.4Å
779	G	73.4	Confident	84.1	Confident	89 Å²	89	53.5 Å²	53.5	92%	0.918	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-12.6	-179.7	0	0	0	0	0	115.4	I777	I777-G779 PolarHBondContact O-N 3.04Å
780	E	82.1	Confident	84	Confident	114 Å²	114	53.5 Å²	53.5	53%	0.533	31%	0.308	S	S	.	.	S	Bend	trans	-84.1	154.9	171.2	-85.9	-65.2	163.1	0	0	112.4	I777 H782	I777-E780 HydrophobicContact CB-CB 4.48Å; I777-E780 HydrophobicContact CB-CG 4.4Å; I777-E780 HydrophobicContact CG2-CG 4.33Å; I777-E780 PolarHBondContact O-N 3.18Å; E780-H782 PolarHBondContact O-N 2.93Å
781	N	84.1	Confident	83.9	Confident	91 Å²	91	58.4 Å²	58.4	49%	0.487	33%	0.326	S	S	.	.			trans	-62.9	128.4	176.7	-176.3	-24.3	0	0	0	109.7	I783 S784 N785	N781-I783 PolarHBondContact O-N 3.45Å; N781-I783 PolarHBondContact OD1-N 3.17Å; N781-S784 WeakPolarHBondContact O-CA 3.36Å; N781-S784 VanDerWaalsContact O-CB 3.29Å; N781-S784 WeakPolarHBondContact O-CB 3.39Å; N781-S784 PolarHBondContact O-N 3.2Å; N781-N785 PolarHBondContact O-N 3.43Å
782	H	80.9	Confident	83.5	Confident	43 Å²	43	59.3 Å²	59.3	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-36.2	-177.1	-160.4	79.8	0	0	0	113.2	E772 F776 E780 N785 I786 W809	E772-H782 IonicContact OE1-CE1 3.18Å; E772-H782 PolarHBondContact OE1-CE1 2.77Å; E772-H782 IonicContact OE1-NE2 2.77Å; E772-H782 IonicContact OE2-CE1 3.72Å; E772-H782 IonicContact OE2-NE2 3.92Å; F776-H782 AromaticContact CD2-CE1 3.81Å; F776-H782 AromaticContact CE2-CE1 3.63Å; F776-H782 AromaticContact CE2-NE2 3.93Å; E780-H782 PolarHBondContact O-N 2.93Å; H782-N785 PolarHBondContact O-N 3.1Å; H782-I786 WeakPolarHBondContact O-CG1 3.49Å; H782-I786 PolarHBondContact O-N 2.89Å; H782-W809 HydrophobicContact CB-CH2 4.27Å; H782-W809 HydrophobicContact CB-CZ2 4.36Å; H782-W809 HydrophobicContact CB-CZ3 4.48Å; H782-W809 AromaticContact CD2-CD2 3.32Å; H782-W809 AromaticContact CD2-CE2 3.7Å; H782-W809 AromaticContact CD2-CE3 3.54Å; H782-W809 AromaticContact CD2-CG 3.59Å; H782-W809 AromaticContact NE2-CD1 3.92Å; H782-W809 AromaticContact NE2-CD2 3.88Å; H782-W809 AromaticContact NE2-CG 3.6Å
783	I	83.9	Confident	83.6	Confident	59 Å²	59	57 Å²	57	30%	0.303	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-41.1	175.1	-62.6	173.6	0	0	0	111.1	N781 N785 I786 Q787 W809 Y816	N781-I783 PolarHBondContact O-N 3.45Å; N781-I783 PolarHBondContact OD1-N 3.17Å; I783-N785 VanDerWaalsContact C-N 3.32Å; I783-N785 PolarHBondContact O-N 2.82Å; I783-I786 PolarHBondContact O-N 2.89Å; I783-Q787 WeakPolarHBondContact O-CB 3.46Å; I783-Q787 PolarHBondContact O-N 3.45Å; I783-W809 HydrophobicContact CD1-CZ3 4.06Å; I783-W809 HydrophobicContact CG1-CE3 4.42Å; I783-W809 HydrophobicContact CG1-CH2 4.2Å; I783-W809 HydrophobicContact CG1-CZ3 3.5Å; I783-W809 VanDerWaalsContact CG1-CZ3 3.5Å; I783-Y816 HydrophobicContact CG2-CE2 3.97Å; I783-Y816 VanDerWaalsContact CG2-OH 3.25Å; I783-Y816 WeakPolarHBondContact CG2-OH 3.44Å
784	S	83.8	Confident	83.7	Confident	50 Å²	50	56.6 Å²	56.6	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-38.8	176.7	-57.1	0	0	0	0	111.3	N781 Q787 A788	N781-S784 WeakPolarHBondContact O-CA 3.36Å; N781-S784 VanDerWaalsContact O-CB 3.29Å; N781-S784 WeakPolarHBondContact O-CB 3.39Å; N781-S784 PolarHBondContact O-N 3.2Å; S784-Q787 PolarHBondContact O-N 3.18Å; S784-A788 WeakPolarHBondContact O-CB 3.48Å; S784-A788 PolarHBondContact O-N 2.78Å
785	N	87.5	Confident	83.8	Confident	17 Å²	17	54.4 Å²	54.4	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-46.1	173.9	-84.2	-40.4	0	0	0	111.8	F776 I777 N781 H782 I783 Q787 A788 A789	F776-N785 HydrophobicContact CB-CB 4.41Å; F776-N785 HydrophobicContact CD1-CB 4.08Å; F776-N785 HydrophobicContact CD2-CB 3.58Å; F776-N785 HydrophobicContact CE1-CB 4.23Å; F776-N785 HydrophobicContact CE2-CB 3.76Å; F776-N785 HydrophobicContact CG-CB 3.77Å; F776-N785 HydrophobicContact CZ-CB 4.09Å; I777-N785 PolarHBondContact N-OD1 2.86Å; I777-N785 PolarHBondContact O-ND2 2.92Å; N781-N785 PolarHBondContact O-N 3.43Å; H782-N785 PolarHBondContact O-N 3.1Å; I783-N785 VanDerWaalsContact C-N 3.32Å; I783-N785 PolarHBondContact O-N 2.82Å; N785-Q787 PolarHBondContact O-N 3.19Å; N785-A788 PolarHBondContact O-N 2.78Å; N785-A789 WeakPolarHBondContact O-CB 3.31Å; N785-A789 PolarHBondContact O-N 2.87Å
786	I	86.1	Confident	84.1	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-44.5	175.4	-68.7	167.5	0	0	0	111	F776 H782 I783 A789 V790 W809 A813 Y816	F776-I786 HydrophobicContact CE2-CG1 3.9Å; F776-I786 HydrophobicContact CZ-CG1 3.74Å; H782-I786 WeakPolarHBondContact O-CG1 3.49Å; H782-I786 PolarHBondContact O-N 2.89Å; I783-I786 PolarHBondContact O-N 2.89Å; I786-A789 PolarHBondContact O-N 2.94Å; I786-V790 HydrophobicContact CG2-CG2 4.37Å; I786-V790 WeakPolarHBondContact O-CB 3.49Å; I786-V790 VanDerWaalsContact O-CG2 3.32Å; I786-V790 WeakPolarHBondContact O-CG2 3.17Å; I786-V790 PolarHBondContact O-N 3.06Å; I786-W809 HydrophobicContact CD1-CB 4.22Å; I786-W809 HydrophobicContact CD1-CE3 4.22Å; I786-A813 HydrophobicContact CG2-CB 3.6Å; I786-Y816 HydrophobicContact CG2-CD2 4.1Å
787	Q	86.4	Confident	84.4	Confident	87 Å²	87	51 Å²	51	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-45.4	177.6	-171	179.7	-0.1	0	0	111.2	I783 S784 N785 A789 V790 W791	I783-Q787 WeakPolarHBondContact O-CB 3.46Å; I783-Q787 PolarHBondContact O-N 3.45Å; S784-Q787 PolarHBondContact O-N 3.18Å; N785-Q787 PolarHBondContact O-N 3.19Å; Q787-A789 VanDerWaalsContact C-N 3.34Å; Q787-A789 PolarHBondContact O-N 3Å; Q787-V790 PolarHBondContact O-N 2.99Å; Q787-W791 HydrophobicContact CB-CE3 4.43Å; Q787-W791 HydrophobicContact CB-CZ3 4.31Å; Q787-W791 HydrophobicContact CG-CD2 4.37Å; Q787-W791 HydrophobicContact CG-CE3 3.64Å; Q787-W791 HydrophobicContact CG-CH2 4.17Å; Q787-W791 HydrophobicContact CG-CZ3 3.52Å; Q787-W791 PolarHBondContact O-N 3.25Å
788	A	84.3	Confident	84.8	Confident	65 Å²	65	46 Å²	46	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-41.3	176.6	0	0	0	0	0	111.9	S784 N785 G792	S784-A788 WeakPolarHBondContact O-CB 3.48Å; S784-A788 PolarHBondContact O-N 2.78Å; N785-A788 PolarHBondContact O-N 2.78Å; A788-G792 WeakPolarHBondContact O-CA 3.3Å; A788-G792 PolarHBondContact O-N 3.2Å
789	A	86.9	Confident	85.5	Confident	7 Å²	7	40.2 Å²	40.2	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-66.8	-42.6	178.3	0	0	0	0	0	112.6	Y738 F776 N785 I786 Q787 S793	Y738-A789 HydrophobicContact CD1-CB 4.33Å; Y738-A789 HydrophobicContact CD2-CB 3.72Å; Y738-A789 HydrophobicContact CE1-CB 4.39Å; Y738-A789 HydrophobicContact CE2-CB 3.8Å; Y738-A789 HydrophobicContact CG-CB 4.02Å; F776-A789 HydrophobicContact CE1-CB 4.11Å; N785-A789 WeakPolarHBondContact O-CB 3.31Å; N785-A789 PolarHBondContact O-N 2.87Å; I786-A789 PolarHBondContact O-N 2.94Å; Q787-A789 VanDerWaalsContact C-N 3.34Å; Q787-A789 PolarHBondContact O-N 3Å; A789-S793 VanDerWaalsContact O-CB 3.3Å; A789-S793 WeakPolarHBondContact O-CB 3.47Å; A789-S793 PolarHBondContact O-N 3.46Å; A789-S793 PolarHBondContact O-OG 3.34Å
790	V	86.4	Confident	86.3	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-45	177.9	169.7	0	0	0	0	111	Y738 I786 Q787 A817 R820	Y738-V790 HydrophobicContact CD1-CG2 3.73Å; Y738-V790 HydrophobicContact CE1-CG2 3.87Å; I786-V790 HydrophobicContact CG2-CG2 4.37Å; I786-V790 WeakPolarHBondContact O-CB 3.49Å; I786-V790 VanDerWaalsContact O-CG2 3.32Å; I786-V790 WeakPolarHBondContact O-CG2 3.17Å; I786-V790 PolarHBondContact O-N 3.06Å; Q787-V790 PolarHBondContact O-N 2.99Å; V790-A817 HydrophobicContact CG1-CB 4.44Å; V790-R820 PolarHBondContact O-NH1 3.19Å
791	W	84.7	Confident	86.6	Confident	107 Å²	107	31 Å²	31	41%	0.405	17%	0.167	S	C	.	.	H	α-helix	trans	-80.5	-27.5	-179.3	-85.6	-103.8	0	0	0	113.7	Y733 Q787 S793 Y816	Y733-W791 WeakPolarHBondContact CD1-O 3.5Å; Y733-W791 WeakPolarHBondContact CE1-O 3.3Å; Q787-W791 HydrophobicContact CB-CE3 4.43Å; Q787-W791 HydrophobicContact CB-CZ3 4.31Å; Q787-W791 HydrophobicContact CG-CD2 4.37Å; Q787-W791 HydrophobicContact CG-CE3 3.64Å; Q787-W791 HydrophobicContact CG-CH2 4.17Å; Q787-W791 HydrophobicContact CG-CZ3 3.52Å; Q787-W791 PolarHBondContact O-N 3.25Å; W791-S793 VanDerWaalsContact C-N 3.26Å; W791-S793 PolarHBondContact O-N 2.75Å; W791-Y816 AromaticContact CH2-CD1 3.74Å; W791-Y816 HydrophobicContact CH2-CD1 3.74Å; W791-Y816 HydrophobicContact CH2-CE1 4.48Å; W791-Y816 AromaticContact CZ3-CD1 3.78Å; W791-Y816 HydrophobicContact CZ3-CD1 3.78Å; W791-Y816 HydrophobicContact CZ3-CG 4.18Å
792	G	82.8	Confident	86.7	Confident	21 Å²	21	32.6 Å²	32.6	22%	0.216	17%	0.166	C	C	.	.	H	α-helix	trans	-75.8	-9.4	176.3	0	0	0	0	0	114.7	R734 Y735 A788	R734-G792 PolarHBondContact N-O 2.81Å; Y735-G792 PolarHBondContact N-O 3.18Å; Y735-G792 VanDerWaalsContact N-O 3.16Å; A788-G792 WeakPolarHBondContact O-CA 3.3Å; A788-G792 PolarHBondContact O-N 3.2Å
793	S	88.1	Confident	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.8	-177.7	-57.5	0	0	0	0	112.8	Y735 Y738 A789 W791 R820	Y735-S793 WeakPolarHBondContact O-CA 3.32Å; Y738-S793 WeakPolarHBondContact CB-OG 3.49Å; Y738-S793 PolarHBondContact N-OG 2.99Å; A789-S793 VanDerWaalsContact O-CB 3.3Å; A789-S793 WeakPolarHBondContact O-CB 3.47Å; A789-S793 PolarHBondContact O-N 3.46Å; A789-S793 PolarHBondContact O-OG 3.34Å; W791-S793 VanDerWaalsContact C-N 3.26Å; W791-S793 PolarHBondContact O-N 2.75Å; S793-R820 PolarHBondContact O-NH1 3.16Å
794	R	83.8	Confident	87.1	Confident	63 Å²	63	30.8 Å²	30.8	24%	0.238	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-35.9	177.4	179.1	-165	-67.4	-111.2	-1.4	112.7	Y735 D736 E881	Y735-R794 PolarHBondContact O-N 2.81Å; D736-R794 WeakPolarHBondContact O-CB 3.46Å; R794-E881 IonicContact CZ-OE1 4Å; R794-E881 IonicContact NH1-OE1 3.18Å; R794-E881 PolarHBondContact NH1-OE1 3.06Å
795	K	88.2	Confident	87.1	Confident	24 Å²	24	28.9 Å²	28.9	10%	0.104	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	159.4	175.8	-61.9	-74	-178.5	159.2	0	110.5	D736 A737 Y738 N827 V828 I830 K880	D736-K795 PolarHBondContact O-N 3.33Å; A737-K795 CarbonylContact C-O 3.05Å; A737-K795 VanDerWaalsContact CA-O 3.23Å; A737-K795 WeakPolarHBondContact CA-O 3.39Å; A737-K795 HydrophobicContact CB-CB 4.25Å; Y738-K795 PolarHBondContact N-O 2.9Å; K795-N827 PolarHBondContact NZ-O 2.99Å; K795-V828 CarbonylContact C-O 3.48Å; K795-V828 WeakPolarHBondContact CA-O 3.47Å; K795-I830 HydrophobicContact CB-CD1 4.42Å; K795-I830 HydrophobicContact CG-CD1 4.49Å; K795-K880 PolarHBondContact NZ-O 3.05Å
796	T	89.7	Confident	86.9	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.4	168.6	-56.9	0	0	0	0	109.1	Y738 A817 V828 L829 I830	Y738-T796 HydrophobicContact CD1-CG2 3.69Å; Y738-T796 HydrophobicContact CE1-CG2 4.38Å; Y738-T796 CarbonylContact O-C 3.41Å; Y738-T796 WeakPolarHBondContact O-CA 3.4Å; T796-A817 HydrophobicContact CG2-CB 3.76Å; T796-V828 PolarHBondContact N-O 3.09Å; T796-L829 HydrophobicContact CG2-CD1 4.41Å; T796-L829 WeakPolarHBondContact O-CA 3.24Å; T796-I830 PolarHBondContact O-N 3.3Å
797	V	91.9	Very high	86.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.7	179.3	-176	0	0	0	0	108.4	A737 Y738 F739 C740 L799 I830 V832 L874 I878	A737-V797 HydrophobicContact CB-CG2 4.17Å; Y738-V797 PolarHBondContact O-N 3.17Å; F739-V797 WeakPolarHBondContact CA-O 3.39Å; F739-V797 HydrophobicContact CD1-CG1 4.49Å; F739-V797 HydrophobicContact CD2-CB 4.1Å; F739-V797 HydrophobicContact CD2-CG2 4.3Å; F739-V797 HydrophobicContact CE1-CB 4.49Å; F739-V797 HydrophobicContact CE1-CG1 4.15Å; F739-V797 HydrophobicContact CE2-CB 4.01Å; F739-V797 HydrophobicContact CE2-CG1 4.41Å; F739-V797 HydrophobicContact CE2-CG2 3.87Å; F739-V797 HydrophobicContact CG-CB 4.37Å; F739-V797 HydrophobicContact CZ-CB 4.22Å; F739-V797 HydrophobicContact CZ-CG1 4.11Å; F739-V797 HydrophobicContact CZ-CG2 4.26Å; C740-V797 PolarHBondContact N-O 3.17Å; V797-L799 HydrophobicContact CG1-CD2 4.27Å; V797-I830 CarbonylContact C-O 3.06Å; V797-I830 WeakPolarHBondContact CA-O 3.14Å; V797-I830 HydrophobicContact CG2-CB 4.21Å; V797-I830 HydrophobicContact CG2-CD1 4.22Å; V797-V832 HydrophobicContact CG1-CG2 4.02Å; V797-L874 HydrophobicContact CG1-CD1 4.31Å; V797-I878 HydrophobicContact CG2-CD1 4.11Å; V797-I878 HydrophobicContact CG2-CG1 4.11Å
798	C	90.9	Very high	86.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.9	177.6	-66.7	0	0	0	0	110.5	C740 V800 F804 F814 L829 I830 V832	C740-C798 CarbonylContact O-C 3.21Å; C740-C798 WeakPolarHBondContact O-CA 3.34Å; C798-V800 HydrophobicContact CB-CG2 4.49Å; C798-V800 PolarHBondContact O-N 3.04Å; C798-F804 HydrophobicContact CB-CE2 4.16Å; C798-F804 HydrophobicContact CB-CZ 3.89Å; C798-F814 HydrophobicContact CB-CD2 4.18Å; C798-L829 HydrophobicContact CB-CD1 4.48Å; C798-I830 PolarHBondContact N-O 2.96Å; C798-V832 PolarHBondContact O-N 3.12Å
799	L	90.7	Very high	86.4	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	95.3	174.4	-52	-177.1	0	0	0	109.4	F739 C740 F741 W748 A749 L753 V797 S801 F804 V832	F739-L799 HydrophobicContact CD1-CD1 4.39Å; C740-L799 PolarHBondContact O-N 3.29Å; F741-L799 HydrophobicContact CB-CB 3.85Å; F741-L799 HydrophobicContact CB-CD1 3.79Å; F741-L799 HydrophobicContact CB-CG 4.05Å; F741-L799 HydrophobicContact CD1-CD1 4.01Å; F741-L799 HydrophobicContact CG-CD1 4.13Å; W748-L799 HydrophobicContact CZ3-CD1 4.25Å; A749-L799 HydrophobicContact CB-CD1 4.08Å; L753-L799 HydrophobicContact CD1-CD1 3.45Å; L753-L799 VanDerWaalsContact CD1-CD1 3.45Å; L753-L799 HydrophobicContact CD1-CD2 3.7Å; L753-L799 HydrophobicContact CD1-CG 4.25Å; V797-L799 HydrophobicContact CG1-CD2 4.27Å; L799-S801 PolarHBondContact O-N 3.32Å; L799-F804 WeakPolarHBondContact O-CB 3.37Å; L799-F804 WeakPolarHBondContact O-CD2 3.43Å; L799-F804 VanDerWaalsContact O-CG 3.31Å; L799-F804 WeakPolarHBondContact O-CG 3.44Å; L799-V832 CarbonylContact C-O 3.01Å; L799-V832 WeakPolarHBondContact CA-O 3.49Å; L799-V832 HydrophobicContact CD2-CB 3.7Å; L799-V832 HydrophobicContact CD2-CG1 4.01Å; L799-V832 HydrophobicContact CD2-CG2 4.13Å
800	V	89.2	Confident	86.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	99.2	-176.6	-176.5	0	0	0	0	109.8	C798 F804 L805 V831 V832 V834 L837 L842 I848	C798-V800 HydrophobicContact CB-CG2 4.49Å; C798-V800 PolarHBondContact O-N 3.04Å; V800-F804 HydrophobicContact CB-CD1 4.26Å; V800-F804 HydrophobicContact CG1-CD1 4.15Å; V800-F804 HydrophobicContact CG2-CD1 4.01Å; V800-F804 HydrophobicContact CG2-CE1 3.88Å; V800-F804 HydrophobicContact CG2-CZ 4.4Å; V800-L805 HydrophobicContact CG1-CD2 4.02Å; V800-L805 HydrophobicContact CG1-CG 4.2Å; V800-V831 HydrophobicContact CB-CG1 4.46Å; V800-V831 HydrophobicContact CG2-CG1 3.67Å; V800-V832 PolarHBondContact N-O 3.04Å; V800-V834 PolarHBondContact O-N 2.92Å; V800-L837 WeakPolarHBondContact O-CD1 3.33Å; V800-L842 HydrophobicContact CG1-CD2 3.84Å; V800-I848 HydrophobicContact CG1-CD1 4.42Å
801	S	89.4	Confident	86.1	Confident	11 Å²	11	38.7 Å²	38.7	8%	0.077	18%	0.183	C	C	.	.			trans	-108.1	177.2	171.4	82.1	0	0	0	0	111.4	D745 L799 Q803 F804 L805	D745-S801 VanDerWaalsContact OD2-CB 3.3Å; D745-S801 WeakPolarHBondContact OD2-CB 3.49Å; D745-S801 PolarHBondContact OD2-OG 2.76Å; L799-S801 PolarHBondContact O-N 3.32Å; S801-Q803 PolarHBondContact O-N 2.99Å; S801-Q803 PolarHBondContact OG-N 3.49Å; S801-F804 PolarHBondContact O-N 3.36Å; S801-F804 PolarHBondContact OG-N 2.88Å; S801-L805 WeakPolarHBondContact O-CG 3.39Å; S801-L805 PolarHBondContact O-N 3.4Å
802	R	85.2	Confident	86.1	Confident	123 Å²	123	36.5 Å²	36.5	46%	0.464	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.4	171.1	-73.1	179.1	-175.1	-179.1	5.5	112.4	S836 L837	R802-S836 PolarHBondContact NH2-O 2.99Å; R802-S836 PolarHBondContact NH2-OG 3.41Å; R802-L837 HydrophobicContact CB-CD2 4.42Å; R802-L837 HydrophobicContact CG-CD2 3.4Å; R802-L837 VanDerWaalsContact CG-CD2 3.4Å; R802-L837 HydrophobicContact CG-CG 3.97Å
803	Q	86.3	Confident	86	Confident	64 Å²	64	35.5 Å²	35.5	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-36.9	-175.3	-46.6	-50.5	64.8	0	0	110.6	S801 L805 K806 D807	S801-Q803 PolarHBondContact O-N 2.99Å; S801-Q803 PolarHBondContact OG-N 3.49Å; Q803-L805 PolarHBondContact O-N 3.44Å; Q803-K806 PolarHBondContact O-N 3.42Å; Q803-D807 PolarHBondContact O-N 3.03Å; Q803-D807 VanDerWaalsContact O-N 3.16Å
804	F	87.7	Confident	85.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-51.6	-42.5	168.5	-175.7	-84.9	0	0	0	112.5	C798 L799 V800 S801 K806 D807 C810 L811 I848	C798-F804 HydrophobicContact CB-CE2 4.16Å; C798-F804 HydrophobicContact CB-CZ 3.89Å; L799-F804 WeakPolarHBondContact O-CB 3.37Å; L799-F804 WeakPolarHBondContact O-CD2 3.43Å; L799-F804 VanDerWaalsContact O-CG 3.31Å; L799-F804 WeakPolarHBondContact O-CG 3.44Å; V800-F804 HydrophobicContact CB-CD1 4.26Å; V800-F804 HydrophobicContact CG1-CD1 4.15Å; V800-F804 HydrophobicContact CG2-CD1 4.01Å; V800-F804 HydrophobicContact CG2-CE1 3.88Å; V800-F804 HydrophobicContact CG2-CZ 4.4Å; S801-F804 PolarHBondContact O-N 3.36Å; S801-F804 PolarHBondContact OG-N 2.88Å; F804-K806 PolarHBondContact O-N 3.47Å; F804-D807 PolarHBondContact O-N 3.35Å; F804-C810 HydrophobicContact CD1-CB 4.31Å; F804-C810 HydrophobicContact CD2-CB 3.55Å; F804-C810 HydrophobicContact CE1-CB 4.21Å; F804-C810 HydrophobicContact CE2-CB 3.47Å; F804-C810 VanDerWaalsContact CE2-CB 3.47Å; F804-C810 HydrophobicContact CG-CB 3.99Å; F804-C810 HydrophobicContact CZ-CB 3.8Å; F804-L811 HydrophobicContact CE1-CD2 4.42Å; F804-I848 HydrophobicContact CD1-CD1 4.45Å; F804-I848 HydrophobicContact CE1-CD1 4.03Å
805	L	83.5	Confident	85.9	Confident	11 Å²	11	38.2 Å²	38.2	6%	0.058	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-70.6	-15.6	179.9	-67	173.9	0	0	0	114.4	V800 S801 Q803 L837 L842 H845 I848	V800-L805 HydrophobicContact CG1-CD2 4.02Å; V800-L805 HydrophobicContact CG1-CG 4.2Å; S801-L805 WeakPolarHBondContact O-CG 3.39Å; S801-L805 PolarHBondContact O-N 3.4Å; Q803-L805 PolarHBondContact O-N 3.44Å; L805-L837 HydrophobicContact CD1-CD2 4.25Å; L805-L842 HydrophobicContact CD1-CD2 4.29Å; L805-H845 HydrophobicContact CD2-CB 4.45Å; L805-H845 PolarHBondContact O-CE1 2.85Å; L805-I848 HydrophobicContact CD2-CD1 3.48Å; L805-I848 VanDerWaalsContact CD2-CD1 3.48Å
806	K	82.8	Confident	85.7	Confident	165 Å²	165	40 Å²	40	72%	0.717	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-97.6	-12.3	176.2	-66.6	175.1	-179	172.8	0	112.2	Q803 F804	Q803-K806 PolarHBondContact O-N 3.42Å; F804-K806 PolarHBondContact O-N 3.47Å
807	D	82.3	Confident	85.4	Confident	31 Å²	31	40 Å²	40	17%	0.166	18%	0.184	C	C	.	.			trans	-92.2	110.9	-175.1	-167.8	-26.3	0	0	0	109.8	S742 Q803 F804 W809 C810 L811	S742-D807 WeakPolarHBondContact CB-OD2 3.41Å; S742-D807 PolarHBondContact OG-OD2 3.44Å; Q803-D807 PolarHBondContact O-N 3.03Å; Q803-D807 VanDerWaalsContact O-N 3.16Å; F804-D807 PolarHBondContact O-N 3.35Å; D807-W809 PolarHBondContact O-N 2.9Å; D807-W809 PolarHBondContact OD1-N 3.28Å; D807-W809 VanDerWaalsContact OD1-N 3.14Å; D807-C810 HydrophobicContact CB-CB 3.92Å; D807-C810 PolarHBondContact O-N 3.29Å; D807-L811 WeakPolarHBondContact O-CG 3.47Å; D807-L811 PolarHBondContact O-N 3.45Å
808	G	79.8	Confident	84.9	Confident	47 Å²	47	43.1 Å²	43.1	49%	0.485	20%	0.198	S	C	.	.	H	α-helix	trans	-61.2	-32.7	-177.2	0	0	0	0	0	112.8	L811 E812	G808-L811 PolarHBondContact O-N 2.91Å; G808-E812 PolarHBondContact O-N 3.34Å; G808-E812 VanDerWaalsContact O-N 3.15Å
809	W	83.3	Confident	84.4	Confident	110 Å²	110	46.5 Å²	46.5	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-74.6	-39.7	-178.1	-62.1	124.5	0	0	0	112.2	H782 I783 I786 D807 L811 E812 A813	H782-W809 HydrophobicContact CB-CH2 4.27Å; H782-W809 HydrophobicContact CB-CZ2 4.36Å; H782-W809 HydrophobicContact CB-CZ3 4.48Å; H782-W809 AromaticContact CD2-CD2 3.32Å; H782-W809 AromaticContact CD2-CE2 3.7Å; H782-W809 AromaticContact CD2-CE3 3.54Å; H782-W809 AromaticContact CD2-CG 3.59Å; H782-W809 AromaticContact NE2-CD1 3.92Å; H782-W809 AromaticContact NE2-CD2 3.88Å; H782-W809 AromaticContact NE2-CG 3.6Å; I783-W809 HydrophobicContact CD1-CZ3 4.06Å; I783-W809 HydrophobicContact CG1-CE3 4.42Å; I783-W809 HydrophobicContact CG1-CH2 4.2Å; I783-W809 HydrophobicContact CG1-CZ3 3.5Å; I783-W809 VanDerWaalsContact CG1-CZ3 3.5Å; I786-W809 HydrophobicContact CD1-CB 4.22Å; I786-W809 HydrophobicContact CD1-CE3 4.22Å; D807-W809 PolarHBondContact O-N 2.9Å; D807-W809 PolarHBondContact OD1-N 3.28Å; D807-W809 VanDerWaalsContact OD1-N 3.14Å; W809-L811 VanDerWaalsContact C-N 3.3Å; W809-L811 PolarHBondContact O-N 3.01Å; W809-E812 PolarHBondContact O-N 3.17Å; W809-A813 PolarHBondContact O-N 2.82Å
810	C	83.8	Confident	83.9	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-40.2	172.3	-76.3	0	0	0	0	112.4	F741 F804 D807 F814	F741-C810 VanDerWaalsContact C-SG 3.57Å; F804-C810 HydrophobicContact CD1-CB 4.31Å; F804-C810 HydrophobicContact CD2-CB 3.55Å; F804-C810 HydrophobicContact CE1-CB 4.21Å; F804-C810 HydrophobicContact CE2-CB 3.47Å; F804-C810 VanDerWaalsContact CE2-CB 3.47Å; F804-C810 HydrophobicContact CG-CB 3.99Å; F804-C810 HydrophobicContact CZ-CB 3.8Å; D807-C810 HydrophobicContact CB-CB 3.92Å; D807-C810 PolarHBondContact O-N 3.29Å; C810-F814 PolarHBondContact O-N 3.43Å
811	L	84.3	Confident	83.2	Confident	29 Å²	29	47.5 Å²	47.5	15%	0.152	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-34	177.7	-67.5	176.3	0	0	0	112.7	F804 D807 G808 W809 R815 I848	F804-L811 HydrophobicContact CE1-CD2 4.42Å; D807-L811 WeakPolarHBondContact O-CG 3.47Å; D807-L811 PolarHBondContact O-N 3.45Å; G808-L811 PolarHBondContact O-N 2.91Å; W809-L811 VanDerWaalsContact C-N 3.3Å; W809-L811 PolarHBondContact O-N 3.01Å; L811-R815 WeakPolarHBondContact O-CG 3.45Å; L811-R815 PolarHBondContact O-N 3.2Å; L811-R815 VanDerWaalsContact O-N 3.13Å; L811-I848 HydrophobicContact CD2-CD1 3.83Å; L811-I848 HydrophobicContact CD2-CG1 4.21Å
812	E	83.6	Confident	82.4	Confident	60 Å²	60	53.2 Å²	53.2	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-70.6	-43.2	173.2	-74.4	-55.3	150.4	0	0	112.2	G808 W809 F814 R815 Y816	G808-E812 PolarHBondContact O-N 3.34Å; G808-E812 VanDerWaalsContact O-N 3.15Å; W809-E812 PolarHBondContact O-N 3.17Å; E812-F814 PolarHBondContact O-N 2.93Å; E812-R815 WeakPolarHBondContact O-CB 3.19Å; E812-R815 PolarHBondContact O-N 2.93Å; E812-R815 IonicContact OE1-CZ 3.49Å; E812-R815 IonicContact OE1-NH1 3.91Å; E812-R815 PolarHBondContact OE1-NH1 3.04Å; E812-R815 WeakPolarHBondContact OE2-CD 3Å; E812-R815 IonicContact OE2-NH1 2.79Å; E812-Y816 WeakPolarHBondContact O-CD2 3.31Å; E812-Y816 PolarHBondContact O-N 3.32Å
813	A	81.8	Confident	81.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-39.4	172.9	0	0	0	0	0	112.3	Y738 C740 I786 W809 Y816 A817	Y738-A813 HydrophobicContact CE1-CB 4.26Å; C740-A813 HydrophobicContact CB-CB 4.5Å; C740-A813 WeakPolarHBondContact SG-CB 3.42Å; I786-A813 HydrophobicContact CG2-CB 3.6Å; W809-A813 PolarHBondContact O-N 2.82Å; A813-Y816 PolarHBondContact O-N 2.67Å; A813-A817 WeakPolarHBondContact O-CB 3.45Å; A813-A817 PolarHBondContact O-N 3.25Å
814	F	85.9	Confident	80.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-43.7	173.4	-173.9	-84.1	0	0	0	112.4	C798 C810 E812 A817 Q818 L829 V831 I848 F851	C798-F814 HydrophobicContact CB-CD2 4.18Å; C810-F814 PolarHBondContact O-N 3.43Å; E812-F814 PolarHBondContact O-N 2.93Å; F814-A817 PolarHBondContact O-N 3.21Å; F814-Q818 WeakPolarHBondContact O-CB 3.17Å; F814-Q818 PolarHBondContact O-N 3.36Å; F814-L829 HydrophobicContact CD2-CD1 4.44Å; F814-L829 HydrophobicContact CD2-CD2 4.25Å; F814-L829 HydrophobicContact CE1-CD2 4.4Å; F814-L829 HydrophobicContact CE2-CD2 3.81Å; F814-L829 HydrophobicContact CZ-CD2 3.88Å; F814-V831 HydrophobicContact CE2-CG2 3.71Å; F814-V831 HydrophobicContact CZ-CG2 4.44Å; F814-I848 HydrophobicContact CD1-CG1 4.33Å; F814-I848 HydrophobicContact CE1-CB 4.43Å; F814-I848 HydrophobicContact CE1-CG1 4.18Å; F814-I848 HydrophobicContact CE1-CG2 4.37Å; F814-I848 HydrophobicContact CE2-CG2 4.03Å; F814-I848 HydrophobicContact CZ-CB 4.3Å; F814-I848 HydrophobicContact CZ-CG1 4.29Å; F814-I848 HydrophobicContact CZ-CG2 3.76Å; F814-F851 HydrophobicContact CZ-CB 4.02Å; F814-F851 HydrophobicContact CZ-CG 4.25Å
815	R	83.1	Confident	79.1	Confident	119 Å²	119	57.8 Å²	57.8	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.6	-75	172.7	176.4	178.1	-2.1	111.8	L811 E812 Q818 S819 T847	L811-R815 WeakPolarHBondContact O-CG 3.45Å; L811-R815 PolarHBondContact O-N 3.2Å; L811-R815 VanDerWaalsContact O-N 3.13Å; E812-R815 WeakPolarHBondContact O-CB 3.19Å; E812-R815 PolarHBondContact O-N 2.93Å; E812-R815 IonicContact OE1-CZ 3.49Å; E812-R815 IonicContact OE1-NH1 3.91Å; E812-R815 PolarHBondContact OE1-NH1 3.04Å; E812-R815 WeakPolarHBondContact OE2-CD 3Å; E812-R815 IonicContact OE2-NH1 2.79Å; R815-Q818 PolarHBondContact O-N 2.83Å; R815-S819 WeakPolarHBondContact O-CB 3.06Å; R815-S819 PolarHBondContact O-N 3.12Å; R815-T847 VanDerWaalsContact NE-CG2 3.31Å
816	Y	84.6	Confident	78.2	Confident	62 Å²	62	62.7 Å²	62.7	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.5	-80	-62.1	0	0	0	112.2	I783 I786 W791 E812 A813 Q818 S819 R820	I783-Y816 HydrophobicContact CG2-CE2 3.97Å; I783-Y816 VanDerWaalsContact CG2-OH 3.25Å; I783-Y816 WeakPolarHBondContact CG2-OH 3.44Å; I786-Y816 HydrophobicContact CG2-CD2 4.1Å; W791-Y816 AromaticContact CH2-CD1 3.74Å; W791-Y816 HydrophobicContact CH2-CD1 3.74Å; W791-Y816 HydrophobicContact CH2-CE1 4.48Å; W791-Y816 AromaticContact CZ3-CD1 3.78Å; W791-Y816 HydrophobicContact CZ3-CD1 3.78Å; W791-Y816 HydrophobicContact CZ3-CG 4.18Å; E812-Y816 WeakPolarHBondContact O-CD2 3.31Å; E812-Y816 PolarHBondContact O-N 3.32Å; A813-Y816 PolarHBondContact O-N 2.67Å; Y816-Q818 PolarHBondContact O-N 3.33Å; Y816-S819 PolarHBondContact O-N 3.16Å; Y816-R820 PolarHBondContact O-N 2.89Å
817	A	83.1	Confident	77.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-38.4	177.1	0	0	0	0	0	112.6	V790 T796 A813 F814 R820 G821 L829	V790-A817 HydrophobicContact CG1-CB 4.44Å; T796-A817 HydrophobicContact CG2-CB 3.76Å; A813-A817 WeakPolarHBondContact O-CB 3.45Å; A813-A817 PolarHBondContact O-N 3.25Å; F814-A817 PolarHBondContact O-N 3.21Å; A817-R820 PolarHBondContact O-N 3.04Å; A817-G821 PolarHBondContact O-N 3.16Å; A817-L829 HydrophobicContact CB-CD1 3.88Å
818	Q	80.6	Confident	77.2	Confident	66 Å²	66	57.2 Å²	57.2	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-44.4	175.2	-173	179.9	36.6	0	0	112	F814 R815 Y816 R820 G821 L822 L829	F814-Q818 WeakPolarHBondContact O-CB 3.17Å; F814-Q818 PolarHBondContact O-N 3.36Å; R815-Q818 PolarHBondContact O-N 2.83Å; Y816-Q818 PolarHBondContact O-N 3.33Å; Q818-R820 VanDerWaalsContact C-N 3.32Å; Q818-R820 PolarHBondContact O-N 3.31Å; Q818-G821 PolarHBondContact O-N 3.31Å; Q818-L822 HydrophobicContact CG-CD1 4.35Å; Q818-L822 WeakPolarHBondContact O-CG 3.36Å; Q818-L822 PolarHBondContact O-N 3.23Å; Q818-L829 HydrophobicContact CB-CD2 4.43Å
819	S	81.3	Confident	77.5	Confident	70 Å²	70	55.4 Å²	55.4	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-43.1	176.3	-173.5	0	0	0	0	111.3	R815 Y816 L822 S823	R815-S819 WeakPolarHBondContact O-CB 3.06Å; R815-S819 PolarHBondContact O-N 3.12Å; Y816-S819 PolarHBondContact O-N 3.16Å; S819-L822 PolarHBondContact O-N 3.18Å; S819-S823 WeakPolarHBondContact O-CB 3.49Å; S819-S823 PolarHBondContact O-N 3.25Å
820	R	80.1	Confident	77.7	Confident	9 Å²	9	51 Å²	51	3%	0.034	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-43.1	175.4	-175.3	177.4	171.2	-156.9	-1.6	112.1	Y733 V790 S793 Y816 A817 Q818 L822 S823 D824	Y733-R820 PolarHBondContact OH-NH2 2.87Å; V790-R820 PolarHBondContact O-NH1 3.19Å; S793-R820 PolarHBondContact O-NH1 3.16Å; Y816-R820 PolarHBondContact O-N 2.89Å; A817-R820 PolarHBondContact O-N 3.04Å; Q818-R820 VanDerWaalsContact C-N 3.32Å; Q818-R820 PolarHBondContact O-N 3.31Å; R820-L822 VanDerWaalsContact C-N 3.29Å; R820-L822 PolarHBondContact O-N 2.81Å; R820-S823 PolarHBondContact O-N 3.14Å; R820-D824 WeakPolarHBondContact CG-OD2 3.41Å; R820-D824 IonicContact NE-OD2 3.64Å; R820-D824 PolarHBondContact NE-OD2 3.33Å; R820-D824 WeakPolarHBondContact O-CB 3.29Å; R820-D824 PolarHBondContact O-N 3.49Å
821	G	73.7	Confident	77.8	Confident	18 Å²	18	50.9 Å²	50.9	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-37.1	176.9	0	0	0	0	0	113.5	A817 Q818 L825 K826	A817-G821 PolarHBondContact O-N 3.16Å; Q818-G821 PolarHBondContact O-N 3.31Å; G821-L825 PolarHBondContact O-N 2.8Å; G821-K826 WeakPolarHBondContact CA-O 3.35Å; G821-K826 PolarHBondContact O-N 3.34Å
822	L	73.6	Confident	78.1	Confident	130 Å²	130	49.5 Å²	49.5	68%	0.681	26%	0.257	S	S	*	.	H	α-helix	trans	-73.2	-41.4	175.6	-71.8	166.6	0	0	0	112.6	Q818 S819 R820	Q818-L822 HydrophobicContact CG-CD1 4.35Å; Q818-L822 WeakPolarHBondContact O-CG 3.36Å; Q818-L822 PolarHBondContact O-N 3.23Å; S819-L822 PolarHBondContact O-N 3.18Å; R820-L822 VanDerWaalsContact C-N 3.29Å; R820-L822 PolarHBondContact O-N 2.81Å
823	S	69.1	Low	78.2	Confident	93 Å²	93	46.8 Å²	46.8	65%	0.65	25%	0.245	S	C	*	.	H	α-helix	trans	-65.5	-44.4	178.4	-179	0	0	0	0	112.4	S819 R820	S819-S823 WeakPolarHBondContact O-CB 3.49Å; S819-S823 PolarHBondContact O-N 3.25Å; R820-S823 PolarHBondContact O-N 3.14Å
824	D	63	Low	78.3	Confident	63 Å²	63	47.6 Å²	47.6	34%	0.337	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.8	-172.4	-68.7	-11.7	0	0	0	113.3	R820 K826	R820-D824 WeakPolarHBondContact CG-OD2 3.41Å; R820-D824 IonicContact NE-OD2 3.64Å; R820-D824 PolarHBondContact NE-OD2 3.33Å; R820-D824 WeakPolarHBondContact O-CB 3.29Å; R820-D824 PolarHBondContact O-N 3.49Å; D824-K826 HydrophobicContact CB-CB 4.29Å; D824-K826 HydrophobicContact CB-CD 4.44Å; D824-K826 WeakPolarHBondContact O-CG 3.33Å; D824-K826 PolarHBondContact O-N 3.02Å
825	L	58.7	Low	77.9	Confident	127 Å²	127	49.3 Å²	49.3	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	37	-171.4	-66.1	169.6	0	0	0	112.5	G821	G821-L825 PolarHBondContact O-N 2.8Å
826	K	62.7	Low	77.1	Confident	114 Å²	114	47.4 Å²	47.4	50%	0.496	27%	0.272	S	S	.	.	S	Bend	trans	-127.8	146.3	-177	-76.9	175.2	-173.8	178.5	0	110.3	G821 D824 V828	G821-K826 WeakPolarHBondContact CA-O 3.35Å; G821-K826 PolarHBondContact O-N 3.34Å; D824-K826 HydrophobicContact CB-CB 4.29Å; D824-K826 HydrophobicContact CB-CD 4.44Å; D824-K826 WeakPolarHBondContact O-CG 3.33Å; D824-K826 PolarHBondContact O-N 3.02Å; K826-V828 VanDerWaalsContact C-N 3.35Å; K826-V828 HydrophobicContact CB-CG2 3.92Å; K826-V828 PolarHBondContact O-N 3.06Å
827	N	67.6	Low	76.6	Confident	76 Å²	76	44.7 Å²	44.7	41%	0.406	26%	0.262	S	S	.	.			trans	-75.8	87.7	172.7	-163.6	6.4	0	0	0	109.8	K795 L829	K795-N827 PolarHBondContact NZ-O 2.99Å; N827-L829 PolarHBondContact OD1-O 3.28Å
828	V	77.8	Confident	76	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	28%	0.279	C	S	.	.			trans	-94.9	-26	-175.3	-178.8	0	0	0	0	112.3	K795 T796 K826	K795-V828 CarbonylContact C-O 3.48Å; K795-V828 WeakPolarHBondContact CA-O 3.47Å; T796-V828 PolarHBondContact N-O 3.09Å; K826-V828 VanDerWaalsContact C-N 3.35Å; K826-V828 HydrophobicContact CB-CG2 3.92Å; K826-V828 PolarHBondContact O-N 3.06Å
829	L	84.9	Confident	75.4	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.9	-172.5	178	61.3	0	0	0	111.8	T796 C798 F814 A817 Q818 N827 V831 F851	T796-L829 HydrophobicContact CG2-CD1 4.41Å; T796-L829 WeakPolarHBondContact O-CA 3.24Å; C798-L829 HydrophobicContact CB-CD1 4.48Å; F814-L829 HydrophobicContact CD2-CD1 4.44Å; F814-L829 HydrophobicContact CD2-CD2 4.25Å; F814-L829 HydrophobicContact CE1-CD2 4.4Å; F814-L829 HydrophobicContact CE2-CD2 3.81Å; F814-L829 HydrophobicContact CZ-CD2 3.88Å; A817-L829 HydrophobicContact CB-CD1 3.88Å; Q818-L829 HydrophobicContact CB-CD2 4.43Å; N827-L829 PolarHBondContact OD1-O 3.28Å; L829-V831 HydrophobicContact CD1-CG2 4.45Å; L829-V831 HydrophobicContact CD2-CG2 4.46Å; L829-V831 HydrophobicContact CG-CG2 4.19Å; L829-F851 HydrophobicContact CD2-CD2 4.18Å; L829-F851 HydrophobicContact CD2-CE2 4.05Å; L829-F851 HydrophobicContact CG-CE2 4.35Å; L829-F851 HydrophobicContact CG-CZ 4.48Å
830	I	87.5	Confident	74.8	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.3	173.1	-58.8	169.3	0	0	0	107.6	K795 T796 V797 C798 L858 L874 H877 I878	K795-I830 HydrophobicContact CB-CD1 4.42Å; K795-I830 HydrophobicContact CG-CD1 4.49Å; T796-I830 PolarHBondContact O-N 3.3Å; V797-I830 CarbonylContact C-O 3.06Å; V797-I830 WeakPolarHBondContact CA-O 3.14Å; V797-I830 HydrophobicContact CG2-CB 4.21Å; V797-I830 HydrophobicContact CG2-CD1 4.22Å; C798-I830 PolarHBondContact N-O 2.96Å; I830-L858 HydrophobicContact CG2-CD1 4.2Å; I830-L874 HydrophobicContact CG2-CD1 3.97Å; I830-H877 HydrophobicContact CD1-CB 3.97Å; I830-I878 HydrophobicContact CD1-CG1 3.9Å
831	V	87.3	Confident	74.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.8	179.3	178.8	0	0	0	0	109.5	V800 F814 L829 V833 F851 Y857 L858	V800-V831 HydrophobicContact CB-CG1 4.46Å; V800-V831 HydrophobicContact CG2-CG1 3.67Å; F814-V831 HydrophobicContact CE2-CG2 3.71Å; F814-V831 HydrophobicContact CZ-CG2 4.44Å; L829-V831 HydrophobicContact CD1-CG2 4.45Å; L829-V831 HydrophobicContact CD2-CG2 4.46Å; L829-V831 HydrophobicContact CG-CG2 4.19Å; V831-V833 HydrophobicContact CG1-CG2 4.46Å; V831-F851 HydrophobicContact CB-CD1 4.26Å; V831-F851 HydrophobicContact CB-CE1 3.76Å; V831-F851 HydrophobicContact CG2-CD1 3.62Å; V831-F851 HydrophobicContact CG2-CE1 3.27Å; V831-F851 HydrophobicContact CG2-CG 4.49Å; V831-F851 HydrophobicContact CG2-CZ 3.9Å; V831-Y857 WeakPolarHBondContact O-CA 3.5Å; V831-Y857 WeakPolarHBondContact O-CB 3.45Å; V831-L858 PolarHBondContact O-N 3.1Å
832	V	89.4	Confident	74	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.9	174.9	177.3	0	0	0	0	108.5	V797 C798 L799 V800 V834 L858 F870 L874	V797-V832 HydrophobicContact CG1-CG2 4.02Å; C798-V832 PolarHBondContact O-N 3.12Å; L799-V832 CarbonylContact C-O 3.01Å; L799-V832 WeakPolarHBondContact CA-O 3.49Å; L799-V832 HydrophobicContact CD2-CB 3.7Å; L799-V832 HydrophobicContact CD2-CG1 4.01Å; L799-V832 HydrophobicContact CD2-CG2 4.13Å; V800-V832 PolarHBondContact N-O 3.04Å; V832-V834 HydrophobicContact CG1-CG2 4.03Å; V832-L858 CarbonylContact C-O 3.37Å; V832-L858 VanDerWaalsContact CA-O 3.27Å; V832-L858 WeakPolarHBondContact CA-O 3.35Å; V832-L858 HydrophobicContact CG2-CB 4.35Å; V832-F870 HydrophobicContact CG1-CE2 4.4Å; V832-F870 HydrophobicContact CG1-CZ 3.64Å; V832-F870 HydrophobicContact CG2-CZ 4.26Å; V832-L874 HydrophobicContact CG2-CD1 4.09Å
833	V	87	Confident	73.8	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.8	177.7	-179.4	0	0	0	0	109.5	V831 L837 L842 Y857 L858 W860	V831-V833 HydrophobicContact CG1-CG2 4.46Å; V833-L837 HydrophobicContact CG1-CB 4.28Å; V833-L837 HydrophobicContact CG1-CD1 4.17Å; V833-L842 HydrophobicContact CG1-CD1 4.21Å; V833-Y857 HydrophobicContact CB-CD2 4.29Å; V833-Y857 HydrophobicContact CG2-CD2 3.55Å; V833-Y857 HydrophobicContact CG2-CE2 3.99Å; V833-Y857 HydrophobicContact CG2-CG 4.17Å; V833-L858 PolarHBondContact N-O 2.95Å; V833-W860 PolarHBondContact O-N 2.87Å
834	V	83.2	Confident	73.9	Confident	18 Å²	18	58.9 Å²	58.9	11%	0.109	30%	0.298	C	S	.	.			trans	-117.7	132.5	-175.6	-177.1	0	0	0	0	110.6	W748 V800 V832 W860	W748-V834 HydrophobicContact CD2-CG1 4.19Å; W748-V834 HydrophobicContact CE3-CG1 4.13Å; W748-V834 HydrophobicContact CH2-CB 4.05Å; W748-V834 HydrophobicContact CH2-CG1 3.37Å; W748-V834 HydrophobicContact CH2-CG2 3.42Å; W748-V834 VanDerWaalsContact CH2-CG2 3.42Å; W748-V834 HydrophobicContact CZ2-CB 4.49Å; W748-V834 HydrophobicContact CZ2-CG1 3.39Å; W748-V834 HydrophobicContact CZ2-CG2 4.26Å; W748-V834 HydrophobicContact CZ3-CB 4.3Å; W748-V834 HydrophobicContact CZ3-CG1 3.74Å; W748-V834 HydrophobicContact CZ3-CG2 3.68Å; V800-V834 PolarHBondContact O-N 2.92Å; V832-V834 HydrophobicContact CG1-CG2 4.03Å; V834-W860 HydrophobicContact CG2-CB 4.4Å
835	G	76.6	Confident	74.4	Confident	36 Å²	36	58.5 Å²	58.5	37%	0.371	29%	0.294	S	S	.	.	S	Bend	trans	82.8	-179.3	178.3	0	0	0	0	0	115.1	L837	G835-L837 PolarHBondContact O-N 3.04Å
836	S	66.2	Low	75	Confident	80 Å²	80	60.2 Å²	60.2	56%	0.559	30%	0.299	S	S	*	.	S	Bend	trans	-76.7	60.5	-178.2	58.8	0	0	0	0	112.8	R802	R802-S836 PolarHBondContact NH2-O 2.99Å; R802-S836 PolarHBondContact NH2-OG 3.41Å
837	L	74.6	Confident	75.3	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	28%	0.284	C	S	.	.			trans	-84.4	121.1	169.2	-80.5	167.1	0	0	0	109.7	V800 R802 L805 V833 G835 Q841 L842	V800-L837 WeakPolarHBondContact O-CD1 3.33Å; R802-L837 HydrophobicContact CB-CD2 4.42Å; R802-L837 HydrophobicContact CG-CD2 3.4Å; R802-L837 VanDerWaalsContact CG-CD2 3.4Å; R802-L837 HydrophobicContact CG-CG 3.97Å; L805-L837 HydrophobicContact CD1-CD2 4.25Å; V833-L837 HydrophobicContact CG1-CB 4.28Å; V833-L837 HydrophobicContact CG1-CD1 4.17Å; G835-L837 PolarHBondContact O-N 3.04Å; L837-Q841 HydrophobicContact CD2-CB 4.45Å; L837-L842 HydrophobicContact CB-CD1 4.28Å; L837-L842 HydrophobicContact CB-CG 4.29Å; L837-L842 HydrophobicContact CD1-CD2 4.22Å
838	S	71.3	Confident	75.6	Confident	51 Å²	51	52.5 Å²	52.5	36%	0.357	26%	0.264	S	S	.	.			trans	-75	150.2	172.7	64	0	0	0	0	110.8	F840 Q841 L842	S838-F840 PolarHBondContact O-N 2.79Å; S838-Q841 PolarHBondContact O-N 2.87Å; S838-Q841 WeakPolarHBondContact OG-CG 3.33Å; S838-Q841 PolarHBondContact OG-N 2.87Å; S838-Q841 PolarHBondContact OG-OE1 2.98Å; S838-Q841 VanDerWaalsContact OG-OE1 3.14Å; S838-L842 PolarHBondContact O-N 3.22Å
839	Q	68.3	Low	75.6	Confident	122 Å²	122	57.7 Å²	57.7	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-57.6	-31.5	176.4	-168.6	174	0.1	0	0	112	L842 M843	Q839-L842 PolarHBondContact O-N 3.2Å; Q839-M843 HydrophobicContact CG-CG 4.4Å; Q839-M843 WeakPolarHBondContact O-CB 3.33Å; Q839-M843 WeakPolarHBondContact O-CG 3.45Å; Q839-M843 PolarHBondContact O-N 3.24Å
840	F	67.9	Low	74.9	Confident	163 Å²	163	59 Å²	59	72%	0.715	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-42.7	175.1	-179.1	-99.2	0	0	0	113.1	S838 L842 M843 R844	S838-F840 PolarHBondContact O-N 2.79Å; F840-L842 VanDerWaalsContact C-N 3.35Å; F840-M843 PolarHBondContact O-N 2.02Å; F840-R844 PolarHBondContact O-N 3.38Å
841	Q	68.6	Low	74.2	Confident	80 Å²	80	59.5 Å²	59.5	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-37.8	177.4	-75.2	171.3	-43.5	0	0	112	L837 S838 R844	L837-Q841 HydrophobicContact CD2-CB 4.45Å; S838-Q841 PolarHBondContact O-N 2.87Å; S838-Q841 WeakPolarHBondContact OG-CG 3.33Å; S838-Q841 PolarHBondContact OG-N 2.87Å; S838-Q841 PolarHBondContact OG-OE1 2.98Å; S838-Q841 VanDerWaalsContact OG-OE1 3.14Å; Q841-R844 PolarHBondContact O-N 2.81Å
842	L	69.2	Low	73.4	Confident	7 Å²	7	60 Å²	60	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-68.6	-37.1	177.2	-74.7	166.5	0	0	0	112.7	V800 L805 V833 L837 S838 Q839 F840 R844 L852	V800-L842 HydrophobicContact CG1-CD2 3.84Å; L805-L842 HydrophobicContact CD1-CD2 4.29Å; V833-L842 HydrophobicContact CG1-CD1 4.21Å; L837-L842 HydrophobicContact CB-CD1 4.28Å; L837-L842 HydrophobicContact CB-CG 4.29Å; L837-L842 HydrophobicContact CD1-CD2 4.22Å; S838-L842 PolarHBondContact O-N 3.22Å; Q839-L842 PolarHBondContact O-N 3.2Å; F840-L842 VanDerWaalsContact C-N 3.35Å; L842-R844 VanDerWaalsContact C-N 3.26Å; L842-R844 PolarHBondContact O-N 3.34Å; L842-L852 HydrophobicContact CB-CD1 3.77Å; L842-L852 HydrophobicContact CD2-CD1 4.27Å
843	M	68.5	Low	72.3	Confident	63 Å²	63	66 Å²	66	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-74.8	-11.5	180	-68.5	-72.1	-72.8	0	0	114	Q839 F840 H845 R849 Q853	Q839-M843 HydrophobicContact CG-CG 4.4Å; Q839-M843 WeakPolarHBondContact O-CB 3.33Å; Q839-M843 WeakPolarHBondContact O-CG 3.45Å; Q839-M843 PolarHBondContact O-N 3.24Å; F840-M843 PolarHBondContact O-N 2.02Å; M843-H845 VanDerWaalsContact C-N 3.34Å; M843-R849 HydrophobicContact CE-CG 3.95Å; M843-R849 WeakPolarHBondContact O-CD 3.49Å; M843-R849 HydrophobicContact SD-CG 3.96Å; M843-Q853 HydrophobicContact CE-CG 3.81Å; M843-Q853 HydrophobicContact SD-CG 4.22Å
844	R	71.8	Confident	71.5	Confident	198 Å²	198	72.9 Å²	72.9	75%	0.747	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.5	179.2	-152.7	173.8	89.5	165.9	7.4	113.5	F840 Q841 L842	F840-R844 PolarHBondContact O-N 3.38Å; Q841-R844 PolarHBondContact O-N 2.81Å; L842-R844 VanDerWaalsContact C-N 3.26Å; L842-R844 PolarHBondContact O-N 3.34Å
845	H	72.5	Confident	70.6	Confident	54 Å²	54	78.9 Å²	78.9	25%	0.25	39%	0.388	C	S	.	.			trans	-96.9	110.6	-179.7	-69.4	-88.6	0	0	0	110.8	L805 M843 T847 I848 R849	L805-H845 HydrophobicContact CD2-CB 4.45Å; L805-H845 PolarHBondContact O-CE1 2.85Å; M843-H845 VanDerWaalsContact C-N 3.34Å; H845-T847 PolarHBondContact O-N 3.28Å; H845-T847 VanDerWaalsContact O-N 3.15Å; H845-I848 PolarHBondContact O-N 2.91Å; H845-R849 WeakPolarHBondContact O-CB 3.39Å; H845-R849 PolarHBondContact O-N 3.39Å; H845-R849 VanDerWaalsContact O-N 3.12Å
846	E	72.4	Confident	70.4	Confident	163 Å²	163	83 Å²	83	76%	0.762	40%	0.397	S	S	*	.	H	α-helix	trans	-55.9	-34.4	-173.5	-69.5	-171.1	150	0	0	114
847	T	68	Low	71.2	Confident	29 Å²	29	81.9 Å²	81.9	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-67.8	-36.9	-176.4	45.9	0	0	0	0	114.1	R815 H845	R815-T847 VanDerWaalsContact NE-CG2 3.31Å; H845-T847 PolarHBondContact O-N 3.28Å; H845-T847 VanDerWaalsContact O-N 3.15Å
848	I	75.3	Confident	71.7	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-100.4	-20.2	-175.1	-46	-173.5	0	0	0	111	V800 F804 L805 L811 F814 H845 G850 F851 L852	V800-I848 HydrophobicContact CG1-CD1 4.42Å; F804-I848 HydrophobicContact CD1-CD1 4.45Å; F804-I848 HydrophobicContact CE1-CD1 4.03Å; L805-I848 HydrophobicContact CD2-CD1 3.48Å; L805-I848 VanDerWaalsContact CD2-CD1 3.48Å; L811-I848 HydrophobicContact CD2-CD1 3.83Å; L811-I848 HydrophobicContact CD2-CG1 4.21Å; F814-I848 HydrophobicContact CD1-CG1 4.33Å; F814-I848 HydrophobicContact CE1-CB 4.43Å; F814-I848 HydrophobicContact CE1-CG1 4.18Å; F814-I848 HydrophobicContact CE1-CG2 4.37Å; F814-I848 HydrophobicContact CE2-CG2 4.03Å; F814-I848 HydrophobicContact CZ-CB 4.3Å; F814-I848 HydrophobicContact CZ-CG1 4.29Å; F814-I848 HydrophobicContact CZ-CG2 3.76Å; H845-I848 PolarHBondContact O-N 2.91Å; I848-G850 VanDerWaalsContact C-N 3.3Å; I848-G850 PolarHBondContact O-N 2.89Å; I848-F851 PolarHBondContact O-N 3.43Å; I848-L852 HydrophobicContact CB-CD1 4.1Å; I848-L852 HydrophobicContact CG2-CD1 3.57Å; I848-L852 HydrophobicContact CG2-CD2 4.5Å; I848-L852 HydrophobicContact CG2-CG 3.82Å; I848-L852 WeakPolarHBondContact O-CG 3.49Å; I848-L852 PolarHBondContact O-N 3.37Å; I848-L852 VanDerWaalsContact O-N 3.11Å
849	R	77.1	Confident	72.4	Confident	115 Å²	115	86.4 Å²	86.4	43%	0.434	39%	0.391	S	S	.	.	H	α-helix	trans	-50.1	-44.5	-177.9	-171.2	177.4	73.7	167.7	-0.5	113.5	M843 H845 F851 L852 Q853	M843-R849 HydrophobicContact CE-CG 3.95Å; M843-R849 WeakPolarHBondContact O-CD 3.49Å; M843-R849 HydrophobicContact SD-CG 3.96Å; H845-R849 WeakPolarHBondContact O-CB 3.39Å; H845-R849 PolarHBondContact O-N 3.39Å; H845-R849 VanDerWaalsContact O-N 3.12Å; R849-F851 VanDerWaalsContact C-N 3.31Å; R849-F851 PolarHBondContact O-N 3.47Å; R849-L852 PolarHBondContact O-N 3.27Å; R849-Q853 WeakPolarHBondContact O-CG 3.18Å; R849-Q853 PolarHBondContact O-N 3.39Å; R849-Q853 VanDerWaalsContact O-N 3.16Å
850	G	69.5	Low	73.2	Confident	37 Å²	37	82.4 Å²	82.4	38%	0.381	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-25.6	-178.3	0	0	0	0	0	114.5	I848	I848-G850 VanDerWaalsContact C-N 3.3Å; I848-G850 PolarHBondContact O-N 2.89Å
851	F	72.8	Confident	74	Confident	25 Å²	25	75.7 Å²	75.7	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-83.3	-40.3	175.7	-169.1	-88.8	0	0	0	111.2	F814 L829 V831 I848 R849 Q853 K854 Q856	F814-F851 HydrophobicContact CZ-CB 4.02Å; F814-F851 HydrophobicContact CZ-CG 4.25Å; L829-F851 HydrophobicContact CD2-CD2 4.18Å; L829-F851 HydrophobicContact CD2-CE2 4.05Å; L829-F851 HydrophobicContact CG-CE2 4.35Å; L829-F851 HydrophobicContact CG-CZ 4.48Å; V831-F851 HydrophobicContact CB-CD1 4.26Å; V831-F851 HydrophobicContact CB-CE1 3.76Å; V831-F851 HydrophobicContact CG2-CD1 3.62Å; V831-F851 HydrophobicContact CG2-CE1 3.27Å; V831-F851 HydrophobicContact CG2-CG 4.49Å; V831-F851 HydrophobicContact CG2-CZ 3.9Å; I848-F851 PolarHBondContact O-N 3.43Å; R849-F851 VanDerWaalsContact C-N 3.31Å; R849-F851 PolarHBondContact O-N 3.47Å; F851-Q853 PolarHBondContact O-N 3.22Å; F851-K854 PolarHBondContact O-N 3.36Å; F851-Q856 VanDerWaalsContact CE1-O 3.23Å; F851-Q856 WeakPolarHBondContact CE1-O 3.47Å; F851-Q856 HydrophobicContact CZ-CB 4.49Å
852	L	70.7	Confident	74.3	Confident	11 Å²	11	78.7 Å²	78.7	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-68.5	-30.7	-178.5	-68.7	162.5	0	0	0	113.6	L842 I848 R849 K854 Q855 Y857	L842-L852 HydrophobicContact CB-CD1 3.77Å; L842-L852 HydrophobicContact CD2-CD1 4.27Å; I848-L852 HydrophobicContact CB-CD1 4.1Å; I848-L852 HydrophobicContact CG2-CD1 3.57Å; I848-L852 HydrophobicContact CG2-CD2 4.5Å; I848-L852 HydrophobicContact CG2-CG 3.82Å; I848-L852 WeakPolarHBondContact O-CG 3.49Å; I848-L852 PolarHBondContact O-N 3.37Å; I848-L852 VanDerWaalsContact O-N 3.11Å; R849-L852 PolarHBondContact O-N 3.27Å; L852-K854 PolarHBondContact O-N 2.76Å; L852-Q855 PolarHBondContact O-N 3.21Å; L852-Y857 HydrophobicContact CD2-CD1 3.72Å; L852-Y857 HydrophobicContact CD2-CE1 3.95Å; L852-Y857 HydrophobicContact CD2-CG 4.24Å
853	Q	68.1	Low	74.5	Confident	126 Å²	126	83.5 Å²	83.5	59%	0.589	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.6	173.7	-79.9	178.4	-9.3	0	0	113.1	M843 R849 F851 Q855	M843-Q853 HydrophobicContact CE-CG 3.81Å; M843-Q853 HydrophobicContact SD-CG 4.22Å; R849-Q853 WeakPolarHBondContact O-CG 3.18Å; R849-Q853 PolarHBondContact O-N 3.39Å; R849-Q853 VanDerWaalsContact O-N 3.16Å; F851-Q853 PolarHBondContact O-N 3.22Å; Q853-Q855 VanDerWaalsContact C-N 3.32Å
854	K	69.5	Low	74.6	Confident	147 Å²	147	88.3 Å²	88.3	64%	0.639	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.3	177.8	-58.5	-177.2	-178.1	-179.8	0	113.3	F851 L852 Q856	F851-K854 PolarHBondContact O-N 3.36Å; L852-K854 PolarHBondContact O-N 2.76Å; K854-Q856 HydrophobicContact CB-CG 4.38Å; K854-Q856 PolarHBondContact O-N 3.09Å; K854-Q856 VanDerWaalsContact O-N 3.12Å
855	Q	64.1	Low	74.7	Confident	144 Å²	144	87.9 Å²	87.9	67%	0.673	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.8	-177.3	-63.9	-171.1	-14.2	0	0	115.4	L852 Q853 Y857	L852-Q855 PolarHBondContact O-N 3.21Å; Q853-Q855 VanDerWaalsContact C-N 3.32Å; Q855-Y857 VanDerWaalsContact C-N 3.32Å; Q855-Y857 PolarHBondContact O-N 3.17Å
856	Q	72.4	Confident	75	Confident	122 Å²	122	89.1 Å²	89.1	57%	0.57	43%	0.425	S	S	*	.			trans	-92.9	53.2	-179.9	-68.7	-178	-17.2	0	0	112	F851 K854	F851-Q856 VanDerWaalsContact CE1-O 3.23Å; F851-Q856 WeakPolarHBondContact CE1-O 3.47Å; F851-Q856 HydrophobicContact CZ-CB 4.49Å; K854-Q856 HydrophobicContact CB-CG 4.38Å; K854-Q856 PolarHBondContact O-N 3.09Å; K854-Q856 VanDerWaalsContact O-N 3.12Å
857	Y	82.6	Confident	75.4	Confident	58 Å²	58	82.6 Å²	82.6	23%	0.227	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.4	176.8	63.3	-90.1	0	0	0	111.6	V831 V833 L852 Q855	V831-Y857 WeakPolarHBondContact O-CA 3.5Å; V831-Y857 WeakPolarHBondContact O-CB 3.45Å; V833-Y857 HydrophobicContact CB-CD2 4.29Å; V833-Y857 HydrophobicContact CG2-CD2 3.55Å; V833-Y857 HydrophobicContact CG2-CE2 3.99Å; V833-Y857 HydrophobicContact CG2-CG 4.17Å; L852-Y857 HydrophobicContact CD2-CD1 3.72Å; L852-Y857 HydrophobicContact CD2-CE1 3.95Å; L852-Y857 HydrophobicContact CD2-CG 4.24Å; Q855-Y857 VanDerWaalsContact C-N 3.32Å; Q855-Y857 PolarHBondContact O-N 3.17Å
858	L	86	Confident	75.8	Confident	20 Å²	20	83.2 Å²	83.2	11%	0.105	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	173.1	-63.1	169.6	0	0	0	108.4	I830 V831 V832 V833 F870 K873 L874	I830-L858 HydrophobicContact CG2-CD1 4.2Å; V831-L858 PolarHBondContact O-N 3.1Å; V832-L858 CarbonylContact C-O 3.37Å; V832-L858 VanDerWaalsContact CA-O 3.27Å; V832-L858 WeakPolarHBondContact CA-O 3.35Å; V832-L858 HydrophobicContact CG2-CB 4.35Å; V833-L858 PolarHBondContact N-O 2.95Å; L858-F870 HydrophobicContact CB-CE2 3.84Å; L858-F870 HydrophobicContact CB-CZ 4.35Å; L858-K873 HydrophobicContact CD2-CD 4.09Å; L858-K873 HydrophobicContact CD2-CG 4.38Å; L858-L874 HydrophobicContact CD1-CB 4.4Å; L858-L874 HydrophobicContact CD1-CD1 3.84Å
859	R	84.9	Confident	76.1	Confident	130 Å²	130	91 Å²	91	49%	0.491	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.6	175.2	-165.9	172.1	-175.9	148.2	4.4	108.8	F870	R859-F870 WeakPolarHBondContact O-CD2 3.34Å; R859-F870 VanDerWaalsContact O-CE2 3.31Å; R859-F870 WeakPolarHBondContact O-CE2 3.35Å
860	W	85.4	Confident	76.6	Confident	39 Å²	39	85.7 Å²	85.7	15%	0.148	42%	0.418	C	S	.	.			trans	-62.5	132.7	174.7	-174.6	-96	0	0	0	109.9	W748 A752 L753 V833 V834 V867 F870 L871	W748-W860 AromaticContact CH2-CD2 3.97Å; W748-W860 HydrophobicContact CH2-CD2 3.97Å; W748-W860 AromaticContact CH2-CE3 3.98Å; W748-W860 HydrophobicContact CH2-CE3 3.98Å; W748-W860 HydrophobicContact CH2-CG 4.38Å; W748-W860 HydrophobicContact CH2-CZ3 4.38Å; W748-W860 AromaticContact CZ2-CD2 3.72Å; W748-W860 HydrophobicContact CZ2-CD2 3.72Å; W748-W860 AromaticContact CZ2-CE2 3.73Å; W748-W860 HydrophobicContact CZ2-CE3 4.15Å; W748-W860 HydrophobicContact CZ2-CG 4.03Å; W748-W860 HydrophobicContact CZ2-CZ2 4.17Å; A752-W860 HydrophobicContact CB-CH2 3.88Å; A752-W860 HydrophobicContact CB-CZ2 4.01Å; L753-W860 HydrophobicContact CD2-CZ3 3.97Å; L753-W860 HydrophobicContact CG-CZ3 4.22Å; V833-W860 PolarHBondContact O-N 2.87Å; V834-W860 HydrophobicContact CG2-CB 4.4Å; W860-V867 HydrophobicContact CH2-CG1 3.78Å; W860-V867 HydrophobicContact CZ2-CG1 3.93Å; W860-V867 HydrophobicContact CZ2-CG2 4.05Å; W860-F870 AromaticContact CE3-CD1 3.69Å; W860-F870 HydrophobicContact CE3-CD1 3.69Å; W860-F870 AromaticContact CE3-CE1 3.39Å; W860-F870 HydrophobicContact CE3-CE1 3.39Å; W860-F870 HydrophobicContact CE3-CG 4.43Å; W860-F870 AromaticContact CE3-CZ 3.87Å; W860-F870 HydrophobicContact CE3-CZ 3.87Å; W860-F870 AromaticContact CZ3-CD1 3.55Å; W860-F870 HydrophobicContact CZ3-CD1 3.55Å; W860-F870 AromaticContact CZ3-CE1 3.46Å; W860-F870 HydrophobicContact CZ3-CE1 3.46Å; W860-F870 VanDerWaalsContact CZ3-CE1 3.46Å; W860-F870 HydrophobicContact CZ3-CZ 4.37Å; W860-L871 HydrophobicContact CZ3-CD2 4.49Å
861	P	85.3	Confident	77.2	Confident	22 Å²	22	84.8 Å²	84.8	14%	0.143	40%	0.404	C	S	.	.			trans	-68.7	142.6	178.9	-14.6	28.7	0	0	0	111.9	D866 F870	P861-D866 HydrophobicContact CB-CB 3.63Å; P861-D866 HydrophobicContact CG-CB 3.95Å; P861-F870 HydrophobicContact CG-CB 3.65Å; P861-F870 HydrophobicContact CG-CD2 4.17Å; P861-F870 HydrophobicContact CG-CG 4.06Å
862	E	73.7	Confident	77.5	Confident	142 Å²	142	89.5 Å²	89.5	66%	0.664	43%	0.43	S	S	*	.	S	Bend	trans	-79.9	-29.2	172.3	-62.2	-71.4	163.3	0	0	111
863	D	74.5	Confident	78.1	Confident	109 Å²	109	93 Å²	93	58%	0.583	45%	0.445	S	S	*	.	S	Bend	trans	-89.2	129.8	179.2	-66.5	-53.3	0	0	0	112.2	Q865 D866	D863-Q865 PolarHBondContact O-N 3.01Å; D863-Q865 VanDerWaalsContact O-N 3.15Å; D863-D866 PolarHBondContact O-N 3.27Å; D863-D866 VanDerWaalsContact O-N 3.16Å
864	L	71.1	Confident	78.9	Confident	164 Å²	164	87 Å²	87	86%	0.859	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.7	-177.9	-72.2	169.1	0	0	0	113.6	D866	L864-D866 VanDerWaalsContact C-N 3.3Å; L864-D866 PolarHBondContact O-N 3.37Å
865	Q	73.1	Confident	79.6	Confident	188 Å²	188	81.3 Å²	81.3	88%	0.879	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-70.4	-26.2	179.6	-62.4	-178.6	7	0	0	112.6	D863	D863-Q865 PolarHBondContact O-N 3.01Å; D863-Q865 VanDerWaalsContact O-N 3.15Å
866	D	78.4	Confident	80.2	Confident	81 Å²	81	76.4 Å²	76.4	43%	0.433	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-91.1	-8	-175.4	-70.2	-27.2	0	0	0	113.6	P861 D863 L864 G868 W869 F870	P861-D866 HydrophobicContact CB-CB 3.63Å; P861-D866 HydrophobicContact CG-CB 3.95Å; D863-D866 PolarHBondContact O-N 3.27Å; D863-D866 VanDerWaalsContact O-N 3.16Å; L864-D866 VanDerWaalsContact C-N 3.3Å; L864-D866 PolarHBondContact O-N 3.37Å; D866-G868 VanDerWaalsContact C-N 3.32Å; D866-G868 PolarHBondContact O-N 3.02Å; D866-W869 PolarHBondContact O-N 3.06Å; D866-F870 PolarHBondContact O-N 3.06Å
867	V	80.3	Confident	80.6	Confident	26 Å²	26	74 Å²	74	16%	0.158	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-41	-178.1	176.7	0	0	0	0	111.2	W860 W869 F870 L871	W860-V867 HydrophobicContact CH2-CG1 3.78Å; W860-V867 HydrophobicContact CZ2-CG1 3.93Å; W860-V867 HydrophobicContact CZ2-CG2 4.05Å; V867-W869 PolarHBondContact O-N 2.68Å; V867-F870 PolarHBondContact O-N 2.78Å; V867-L871 HydrophobicContact CG1-CD1 3.95Å; V867-L871 HydrophobicContact CG1-CG 4.32Å; V867-L871 VanDerWaalsContact O-CG 3.29Å; V867-L871 WeakPolarHBondContact O-CG 3.43Å; V867-L871 PolarHBondContact O-N 3.17Å
868	G	77.1	Confident	80.5	Confident	41 Å²	41	71.3 Å²	71.3	42%	0.423	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.8	0	0	0	0	0	113.1	D866 N872	D866-G868 VanDerWaalsContact C-N 3.32Å; D866-G868 PolarHBondContact O-N 3.02Å; G868-N872 PolarHBondContact O-N 3.3Å; G868-N872 VanDerWaalsContact O-N 3.15Å; G868-N872 PolarHBondContact O-ND2 3.32Å
869	W	82.2	Confident	80	Confident	163 Å²	163	74.9 Å²	74.9	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-66	-42.2	175.2	179.8	90.2	0	0	0	111.7	D866 V867 N872 K873	D866-W869 PolarHBondContact O-N 3.06Å; V867-W869 PolarHBondContact O-N 2.68Å; W869-N872 PolarHBondContact O-N 2.87Å; W869-K873 HydrophobicContact CE3-CD 4.45Å; W869-K873 HydrophobicContact CH2-CD 3.57Å; W869-K873 HydrophobicContact CZ2-CD 3.92Å; W869-K873 HydrophobicContact CZ3-CD 3.84Å; W869-K873 WeakPolarHBondContact O-CB 3.48Å; W869-K873 PolarHBondContact O-N 2.96Å
870	F	87.6	Confident	79.6	Confident	5 Å²	5	73.8 Å²	73.8	2%	0.022	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-47.4	176.5	174.5	-87.1	0	0	0	112.2	L753 V832 L858 R859 W860 P861 D866 V867 N872 K873 L874	L753-F870 HydrophobicContact CD2-CE1 4.35Å; V832-F870 HydrophobicContact CG1-CE2 4.4Å; V832-F870 HydrophobicContact CG1-CZ 3.64Å; V832-F870 HydrophobicContact CG2-CZ 4.26Å; L858-F870 HydrophobicContact CB-CE2 3.84Å; L858-F870 HydrophobicContact CB-CZ 4.35Å; R859-F870 WeakPolarHBondContact O-CD2 3.34Å; R859-F870 VanDerWaalsContact O-CE2 3.31Å; R859-F870 WeakPolarHBondContact O-CE2 3.35Å; W860-F870 AromaticContact CE3-CD1 3.69Å; W860-F870 HydrophobicContact CE3-CD1 3.69Å; W860-F870 AromaticContact CE3-CE1 3.39Å; W860-F870 HydrophobicContact CE3-CE1 3.39Å; W860-F870 HydrophobicContact CE3-CG 4.43Å; W860-F870 AromaticContact CE3-CZ 3.87Å; W860-F870 HydrophobicContact CE3-CZ 3.87Å; W860-F870 AromaticContact CZ3-CD1 3.55Å; W860-F870 HydrophobicContact CZ3-CD1 3.55Å; W860-F870 AromaticContact CZ3-CE1 3.46Å; W860-F870 HydrophobicContact CZ3-CE1 3.46Å; W860-F870 VanDerWaalsContact CZ3-CE1 3.46Å; W860-F870 HydrophobicContact CZ3-CZ 4.37Å; P861-F870 HydrophobicContact CG-CB 3.65Å; P861-F870 HydrophobicContact CG-CD2 4.17Å; P861-F870 HydrophobicContact CG-CG 4.06Å; D866-F870 PolarHBondContact O-N 3.06Å; V867-F870 PolarHBondContact O-N 2.78Å; F870-N872 PolarHBondContact O-N 2.88Å; F870-K873 PolarHBondContact O-N 3.42Å; F870-L874 HydrophobicContact CE1-CB 4.49Å; F870-L874 HydrophobicContact CE1-CD2 4.05Å; F870-L874 HydrophobicContact CZ-CD2 4.49Å; F870-L874 WeakPolarHBondContact O-CB 3.39Å; F870-L874 PolarHBondContact O-N 2.85Å
871	L	82.6	Confident	78.4	Confident	17 Å²	17	79.3 Å²	79.3	9%	0.089	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-41.3	179.9	-70	172.6	0	0	0	111.9	L753 H756 L757 W860 V867 L874 S875	L753-L871 HydrophobicContact CD2-CD2 3.76Å; H756-L871 HydrophobicContact CB-CD1 3.89Å; L757-L871 HydrophobicContact CD1-CD2 4.1Å; L757-L871 HydrophobicContact CG-CD2 4.3Å; W860-L871 HydrophobicContact CZ3-CD2 4.49Å; V867-L871 HydrophobicContact CG1-CD1 3.95Å; V867-L871 HydrophobicContact CG1-CG 4.32Å; V867-L871 VanDerWaalsContact O-CG 3.29Å; V867-L871 WeakPolarHBondContact O-CG 3.43Å; V867-L871 PolarHBondContact O-N 3.17Å; L871-L874 PolarHBondContact O-N 3.44Å; L871-S875 WeakPolarHBondContact O-CB 3.44Å; L871-S875 PolarHBondContact O-N 3.04Å
872	N	79.1	Confident	77	Confident	124 Å²	124	83 Å²	83	66%	0.663	42%	0.422	S	S	*	.	H	α-helix	trans	-63	-42.1	174.6	-78.5	-25.9	0	0	0	112.1	G868 W869 F870 S875 G876	G868-N872 PolarHBondContact O-N 3.3Å; G868-N872 VanDerWaalsContact O-N 3.15Å; G868-N872 PolarHBondContact O-ND2 3.32Å; W869-N872 PolarHBondContact O-N 2.87Å; F870-N872 PolarHBondContact O-N 2.88Å; N872-S875 PolarHBondContact O-N 2.89Å; N872-G876 PolarHBondContact O-N 3.09Å
873	K	82.6	Confident	75.7	Confident	84 Å²	84	86.2 Å²	86.2	37%	0.365	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176.1	-171.9	173.1	-178.8	179.3	0	111.5	L858 W869 F870 G876 H877	L858-K873 HydrophobicContact CD2-CD 4.09Å; L858-K873 HydrophobicContact CD2-CG 4.38Å; W869-K873 HydrophobicContact CE3-CD 4.45Å; W869-K873 HydrophobicContact CH2-CD 3.57Å; W869-K873 HydrophobicContact CZ2-CD 3.92Å; W869-K873 HydrophobicContact CZ3-CD 3.84Å; W869-K873 WeakPolarHBondContact O-CB 3.48Å; W869-K873 PolarHBondContact O-N 2.96Å; F870-K873 PolarHBondContact O-N 3.42Å; K873-G876 PolarHBondContact O-N 3.28Å; K873-H877 PolarHBondContact O-CD2 3.31Å; K873-H877 PolarHBondContact O-N 2.63Å
874	L	85.4	Confident	74.2	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-62.1	-46.5	176.8	-179.8	59.9	0	0	0	111.6	F739 L753 L757 V797 I830 V832 L858 F870 L871 G876 H877 I878	F739-L874 HydrophobicContact CZ-CD2 4.49Å; L753-L874 HydrophobicContact CD2-CD2 3.77Å; L757-L874 HydrophobicContact CD1-CD2 3.95Å; V797-L874 HydrophobicContact CG1-CD1 4.31Å; I830-L874 HydrophobicContact CG2-CD1 3.97Å; V832-L874 HydrophobicContact CG2-CD1 4.09Å; L858-L874 HydrophobicContact CD1-CB 4.4Å; L858-L874 HydrophobicContact CD1-CD1 3.84Å; F870-L874 HydrophobicContact CE1-CB 4.49Å; F870-L874 HydrophobicContact CE1-CD2 4.05Å; F870-L874 HydrophobicContact CZ-CD2 4.49Å; F870-L874 WeakPolarHBondContact O-CB 3.39Å; F870-L874 PolarHBondContact O-N 2.85Å; L871-L874 PolarHBondContact O-N 3.44Å; L874-G876 VanDerWaalsContact C-N 3.31Å; L874-G876 PolarHBondContact O-N 2.88Å; L874-H877 PolarHBondContact O-N 3.1Å; L874-H877 VanDerWaalsContact O-N 3.16Å; L874-I878 HydrophobicContact CD1-CD1 4.38Å; L874-I878 HydrophobicContact CG-CD1 4.17Å; L874-I878 WeakPolarHBondContact O-CG1 3.48Å; L874-I878 PolarHBondContact O-N 3.04Å
875	S	82.8	Confident	72.5	Confident	29 Å²	29	84.7 Å²	84.7	20%	0.203	43%	0.433	C	S	.	.	H	α-helix	trans	-60.3	-40.1	174.9	-174.9	0	0	0	0	111.9	L871 N872 H877 I878 L879	L871-S875 WeakPolarHBondContact O-CB 3.44Å; L871-S875 PolarHBondContact O-N 3.04Å; N872-S875 PolarHBondContact O-N 2.89Å; S875-H877 PolarHBondContact O-N 2.93Å; S875-I878 PolarHBondContact O-N 3.42Å; S875-L879 WeakPolarHBondContact O-CG 3.19Å; S875-L879 PolarHBondContact O-N 2.83Å; S875-L879 VanDerWaalsContact O-N 3.08Å
876	G	77.6	Confident	70.7	Confident	41 Å²	41	84.5 Å²	84.5	42%	0.423	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-41	174.2	0	0	0	0	0	112.9	N872 K873 L874 L879 K880	N872-G876 PolarHBondContact O-N 3.09Å; K873-G876 PolarHBondContact O-N 3.28Å; L874-G876 VanDerWaalsContact C-N 3.31Å; L874-G876 PolarHBondContact O-N 2.88Å; G876-L879 PolarHBondContact O-N 3.27Å; G876-K880 WeakPolarHBondContact O-CB 3.4Å; G876-K880 PolarHBondContact O-N 3.05Å; G876-K880 VanDerWaalsContact O-N 3.11Å
877	H	80.9	Confident	68.6	Low	72 Å²	72	91.5 Å²	91.5	33%	0.333	45%	0.449	S	S	.	.	H	α-helix	trans	-68.6	-33.4	176.1	-81.5	-74.4	0	0	0	113.5	I830 K873 L874 S875	I830-H877 HydrophobicContact CD1-CB 3.97Å; K873-H877 PolarHBondContact O-CD2 3.31Å; K873-H877 PolarHBondContact O-N 2.63Å; L874-H877 PolarHBondContact O-N 3.1Å; L874-H877 VanDerWaalsContact O-N 3.16Å; S875-H877 PolarHBondContact O-N 2.93Å
878	I	80.5	Confident	66.4	Low	0 Å²	0	97.5 Å²	97.5	0%	0	48%	0.481	C	S	.	.	H	α-helix	trans	-67.6	-41	175.8	-68	166.6	0	0	0	110.7	A737 F739 L767 V797 I830 L874 S875	A737-I878 HydrophobicContact CB-CD1 4.37Å; A737-I878 HydrophobicContact CB-CG1 4.44Å; A737-I878 HydrophobicContact CB-CG2 4Å; F739-I878 HydrophobicContact CE2-CD1 4.2Å; F739-I878 HydrophobicContact CZ-CD1 4.39Å; L767-I878 HydrophobicContact CD1-CD1 4.18Å; L767-I878 HydrophobicContact CD1-CG2 4.19Å; L767-I878 HydrophobicContact CD2-CG2 4.12Å; V797-I878 HydrophobicContact CG2-CD1 4.11Å; V797-I878 HydrophobicContact CG2-CG1 4.11Å; I830-I878 HydrophobicContact CD1-CG1 3.9Å; L874-I878 HydrophobicContact CD1-CD1 4.38Å; L874-I878 HydrophobicContact CG-CD1 4.17Å; L874-I878 WeakPolarHBondContact O-CG1 3.48Å; L874-I878 PolarHBondContact O-N 3.04Å; S875-I878 PolarHBondContact O-N 3.42Å
879	L	76.2	Confident	64.2	Low	95 Å²	95	102.2 Å²	102.2	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-83.8	-13.6	-176	-68.4	170.6	0	0	0	114.7	L767 S875 G876 E881	L767-L879 HydrophobicContact CD2-CD2 3.67Å; L767-L879 HydrophobicContact CD2-CG 4.1Å; S875-L879 WeakPolarHBondContact O-CG 3.19Å; S875-L879 PolarHBondContact O-N 2.83Å; S875-L879 VanDerWaalsContact O-N 3.08Å; G876-L879 PolarHBondContact O-N 3.27Å; L879-E881 PolarHBondContact O-N 3.32Å
880	K	74.9	Confident	62	Low	107 Å²	107	101.1 Å²	101.1	47%	0.465	51%	0.508	S	S	.	.			trans	-71.8	119.3	-177	-160.8	-177	-171.1	-164.7	0	112.4	K795 G876 E882	K795-K880 PolarHBondContact NZ-O 3.05Å; G876-K880 WeakPolarHBondContact O-CB 3.4Å; G876-K880 PolarHBondContact O-N 3.05Å; G876-K880 VanDerWaalsContact O-N 3.11Å; K880-E882 HydrophobicContact CD-CG 4.41Å; K880-E882 WeakPolarHBondContact CE-OE1 2.98Å; K880-E882 HydrophobicContact CG-CG 4.47Å; K880-E882 IonicContact NZ-OE1 2.64Å; K880-E882 PolarHBondContact NZ-OE1 2.87Å
881	E	60.7	Low	59.3	Low	155 Å²	155	109.8 Å²	109.8	72%	0.724	55%	0.551	S	S	*	*			trans	-91.5	120.7	167.9	-71.9	-169.8	177.5	0	0	110.8	R794 L879	R794-E881 IonicContact CZ-OE1 4Å; R794-E881 IonicContact NH1-OE1 3.18Å; R794-E881 PolarHBondContact NH1-OE1 3.06Å; L879-E881 PolarHBondContact O-N 3.32Å
882	E	56.8	Low	56.7	Low	99 Å²	99	117.9 Å²	117.9	46%	0.463	59%	0.588	S	S	.	*			trans	-118.9	120.1	171.2	-79.4	178.2	173.2	0	0	109.6	K880	K880-E882 HydrophobicContact CD-CG 4.41Å; K880-E882 WeakPolarHBondContact CE-OE1 2.98Å; K880-E882 HydrophobicContact CG-CG 4.47Å; K880-E882 IonicContact NZ-OE1 2.64Å; K880-E882 PolarHBondContact NZ-OE1 2.87Å
883	K	46.5	Very low	54.4	Low	211 Å²	211	119.8 Å²	119.8	92%	0.917	60%	0.597	S	S	*	*			trans	-79	114.7	167.5	-93.1	-179.4	174.5	175.4	0	108.4	E885	K883-E885 PolarHBondContact O-N 3.08Å
884	G	41.9	Very low	51.9	Low	52 Å²	52	124.9 Å²	124.9	54%	0.536	62%	0.623	S	S	.	*			trans	-68.6	126.3	168.5	0	0	0	0	0	111
885	E	36.7	Very low	49.3	Very low	188 Å²	188	130.5 Å²	130.5	88%	0.879	66%	0.657	S	S	*	*			trans	-65.1	127.6	167.8	-75.4	-176.5	150.1	0	0	110.2	K883 R887	K883-E885 PolarHBondContact O-N 3.08Å; E885-R887 PolarHBondContact O-N 2.94Å; E885-R887 VanDerWaalsContact O-N 3.14Å
886	K	34.8	Very low	46.8	Very low	185 Å²	185	136.8 Å²	136.8	80%	0.804	69%	0.687	S	S	*	*			trans	-66.1	108.3	165.5	-83.4	-177	174.6	-178.6	0	108.5	N888	K886-N888 PolarHBondContact O-N 2.64Å
887	R	33.7	Very low	44.5	Very low	227 Å²	227	140.1 Å²	140.1	86%	0.857	70%	0.699	S	S	*	*			trans	-70.1	110.2	161.8	-87	-176.1	172.1	179	-3.1	109	E885 N889	E885-R887 PolarHBondContact O-N 2.94Å; E885-R887 VanDerWaalsContact O-N 3.14Å; R887-N889 PolarHBondContact O-N 2.66Å
888	N	33.2	Very low	42.2	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	72%	0.719	S	S	*	*			trans	-66.3	104.2	160.7	-85.4	-13.1	0	0	0	108.4	K886	K886-N888 PolarHBondContact O-N 2.64Å
889	N	31.3	Very low	40	Very low	140 Å²	140	150.5 Å²	150.5	75%	0.749	76%	0.76	S	S	*	*			trans	-114.7	97.4	162.2	-83.9	1.5	0	0	0	108.6	R887 M891	R887-N889 PolarHBondContact O-N 2.66Å; N889-M891 PolarHBondContact O-N 2.89Å
890	T	35.9	Very low	38	Very low	140 Å²	140	154.7 Å²	154.7	86%	0.859	80%	0.798	S	S	*	*			trans	-62.9	108.2	150.6	38.8	0	0	0	0	108.5
891	M	31.1	Very low	36.2	Very low	188 Å²	188	157.1 Å²	157.1	93%	0.926	81%	0.814	S	S	*	*			trans	-147.1	138.9	153	-101.5	-169.8	-176.5	0	0	109.5	N889	N889-M891 PolarHBondContact O-N 2.89Å
892	Q	29.3	Very low	34.9	Very low	186 Å²	186	157.2 Å²	157.2	87%	0.869	82%	0.819	S	S	*	*			trans	-67.8	144.9	-157.1	-69.5	159.7	-42.2	0	0	113.9	Q894	Q892-Q894 PolarHBondContact O-N 3.02Å
893	L	29.7	Very low	33.7	Very low	164 Å²	164	160.4 Å²	160.4	86%	0.859	84%	0.839	S	S	*	*			trans	-59.3	121.5	156.7	-94.4	95.2	0	0	0	109.2
894	Q	29.3	Very low	32.9	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	83%	0.834	S	S	*	*			trans	-113.9	112.6	147.1	-93.3	-175.5	-17.7	0	0	108.6	Q892	Q892-Q894 PolarHBondContact O-N 3.02Å
895	T	32.8	Very low	32.4	Very low	118 Å²	118	164.1 Å²	164.1	72%	0.724	85%	0.853	S	S	*	*			trans	-65.5	140	162.9	24.9	0	0	0	0	111.2
896	L	28.8	Very low	32.1	Very low	161 Å²	161	162.5 Å²	162.5	84%	0.843	85%	0.851	S	S	*	*			trans	-168.8	92.8	148.5	-95	153.4	0	0	0	106
897	T	30.3	Very low	31.9	Very low	110 Å²	110	160.9 Å²	160.9	68%	0.675	86%	0.855	S	S	*	*				59.6	103.3	103.2	56.7	0	0	0	0	116.1
898	T	32.8	Very low	31.8	Very low	121 Å²	121	155.8 Å²	155.8	74%	0.742	86%	0.855	S	S	*	*				37.1	140.6	127.7	51.8	0	0	0	0	123.5
899	I	34.3	Very low	31.6	Very low	169 Å²	169	156.1 Å²	156.1	87%	0.867	86%	0.858	S	S	*	*			trans	87.9	126.5	158.5	-55.3	144	0	0	0	113.6
900	S	34.1	Very low	31.7	Very low	184 Å²	184	157.5 Å²	157.5	100%	1.287	87%	0.868	S	S	*	*			cis	-138.1	0	23	56.4	0	0	0	0	113.4

Retrieved 900 of 900 residues in 260.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).