A0A3Q0KNR2_SCHMA Loading...

mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase

Catalyzes the first committed step in the biosynthesis of complex N-glycans. It controls conversion of high mannose to complex N-glycans; the final hydrolytic step in the N-glycan maturation pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KNR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,218 aa.

						>A0A3Q0KNR2_SCHMA|A0A3Q0KNR2
MRLRRVRSLCIILLCTIFALYITMQYYGESREKNLLTLQSTIKDFREKPQGVLSVPWLANMSAGQQWYTDKKRPDSRDIPFQLSTTKLKATIDSGKSKHLTIETFQSPVCPKIDNDYSVNTTYQMNNIYNQLAFDDQPGGVWTQGFPIEYKMDQWKEQPLEVFIVPFSHQDPGWIKTLEKYFVTETKPNLDATLNILNEKEESRFVYSEVSFLDLWINTLSEEQKQSFKRLLLNGHWEIVSGGWVMPDEAVTHYYSIIDQFIEGHHWLLEHFDYRPNVTWSIDSFGQSSTMPYLAKKLGFSQMIINRVHYEVKKYLASRKALEFMWHQPWDAAGSHSILVHMFPFFSYDVPHTCGPEPAVCCQFDFIRTEKYGCPWRKLPVFIDDSNVAVRADMLADQYRKKATLYNNNGLVLIPLGDDFRYQSTHEWNVQLDNYNKLIQHINSNPSYRMKIHFSTLSNYFHALNERVNKMNSTMSTLFPSLSGDFFTYADRQHDYWSGYYDSYPYQKFLSRILESELRTAEILYSYTRQSVGRIQSVTQLMPLITNLYQNLTTVRRNLGLFQHHDAITGTARPEVMLDYSEKLLRAVDAARKVITISSAYLLLLPSMLKSDIEFSNRRRLPVSSQFKQTLVQLNDEYERKNDDSSNNTSHSFYSLEDSLHNYQYSEPILIDFFENNKNSDVENTRRIYIFNPSTRNHSKIITLHVKHHLMNFKAKQIISNSMDTLNHQLDIQLEHSFIHDQHKQQPVSLLYLSPIKLYPLSFICIELNVASTATSSSMVQVKPQLIPVINDAEMLVHNRPQLFIENDYIQLEFDSKTGYLQKMLNKLTGQSMDMKINFIQYKSLKFDSHSGAYLFIPDGLGEPSPNPKSYRYTKGNLVDEVVVYTQYVTHTVRLYKSSGLQSQFIEIENVVNIKVGRPTDIDLFMTIQTNLSNKDRVFYTDSNCFQFTQRQYHDKIPLQGNVYPIACGAYIEQEMNESDDRSHVKQYQRLNLFTSHPTGVVSPKVGQINVWIDRRSSRDDSRGVQSNLHGEWIVKSQLHLFTEIISIDKTQTIPSLTIFSQHILNDLLRPIHKFYVNQSQLNSLFVTEYNLIPKFGLPCDYELVTMKTFHNMKIPIRFHAAPNTQVGVIFRRHAPVCYARNLPKIDFYSECFNNHVGQNELNIHELFGSIQLKHAIQTNLTMIPSSISSMMGNSKYQSMKMNRIHVNSMEIEAYYLV
					

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	45	Very low	67.5	Low	201 Å²	201	146.2 Å²	146.2	99%	0.99	68%	0.678	S	S	*	*				0	-48.2	0	-69.2	-163.3	-51	0	0	114.5	L3 R4 R5	M1-L3 PolarHBondContact O-N 3.17Å; M1-R4 PolarHBondContact O-N 2.88Å; M1-R4 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 3.39Å
2	R	49.9	Very low	69	Low	225 Å²	225	143 Å²	143	85%	0.849	67%	0.667	S	S	*	*	H	α-helix	trans	-55.2	-42.2	179.2	-75.2	-176.8	178.1	177.4	-0.9	113.6	R4 R5 V6	R2-R4 PolarHBondContact O-N 3.41Å; R2-R5 PolarHBondContact O-N 3.09Å; R2-V6 WeakPolarHBondContact O-CG2 3.39Å; R2-V6 PolarHBondContact O-N 2.92Å; R2-V6 VanDerWaalsContact O-N 3.13Å
3	L	57	Low	70.2	Confident	139 Å²	139	140.2 Å²	140.2	73%	0.728	66%	0.659	S	S	*	*	H	α-helix	trans	-63.8	-33.8	175.5	-100.1	101.4	0	0	0	114.9	M1 V6 R7	M1-L3 PolarHBondContact O-N 3.17Å; L3-V6 PolarHBondContact O-N 2.88Å; L3-R7 PolarHBondContact O-N 3.1Å
4	R	60.1	Low	71.4	Confident	211 Å²	211	138.6 Å²	138.6	80%	0.796	66%	0.656	S	S	*	*	H	α-helix	trans	-69.1	-39	176.3	-90.7	-173.1	177.5	174.9	-1.1	111	M1 R2 R7 S8	M1-R4 PolarHBondContact O-N 2.88Å; M1-R4 VanDerWaalsContact O-N 3.13Å; R2-R4 PolarHBondContact O-N 3.41Å; R4-R7 PolarHBondContact O-N 3.24Å; R4-S8 PolarHBondContact O-N 3.44Å; R4-S8 PolarHBondContact O-OG 3.07Å
5	R	65	Low	72.3	Confident	192 Å²	192	134.7 Å²	134.7	73%	0.725	65%	0.648	S	S	*	*	H	α-helix	trans	-62.3	-41.7	173.7	-74.5	-172.5	179	177.1	-0.6	111.8	M1 R2 S8 L9	M1-R5 PolarHBondContact O-N 3.39Å; R2-R5 PolarHBondContact O-N 3.09Å; R5-S8 PolarHBondContact O-N 2.94Å; R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 PolarHBondContact O-N 2.92Å
6	V	75.7	Confident	73	Confident	89 Å²	89	130.6 Å²	130.6	54%	0.539	63%	0.634	S	S	.	*	H	α-helix	trans	-63.6	-44.9	177	176.4	0	0	0	0	111.7	R2 L3 L9 C10	R2-V6 WeakPolarHBondContact O-CG2 3.39Å; R2-V6 PolarHBondContact O-N 2.92Å; R2-V6 VanDerWaalsContact O-N 3.13Å; L3-V6 PolarHBondContact O-N 2.88Å; V6-L9 PolarHBondContact O-N 2.85Å; V6-C10 PolarHBondContact O-N 2.81Å; V6-C10 PolarHBondContact O-SG 3.15Å
7	R	71.1	Confident	73.7	Confident	188 Å²	188	128.6 Å²	128.6	71%	0.709	63%	0.626	S	S	*	*	H	α-helix	trans	-62.5	-43.6	176.7	-85.1	-173.8	174.8	174.6	-1	112.9	L3 R4 L9 C10 I11	L3-R7 PolarHBondContact O-N 3.1Å; R4-R7 PolarHBondContact O-N 3.24Å; R7-L9 VanDerWaalsContact C-N 3.34Å; R7-L9 PolarHBondContact O-N 2.79Å; R7-C10 PolarHBondContact O-N 3.03Å; R7-I11 WeakPolarHBondContact O-CG1 3.38Å; R7-I11 PolarHBondContact O-N 3.46Å
8	S	74.6	Confident	74.2	Confident	69 Å²	69	128.9 Å²	128.9	48%	0.483	62%	0.624	S	S	.	*	H	α-helix	trans	-64.1	-39	176.2	-66.6	0	0	0	0	112	R4 R5 I11 I12	R4-S8 PolarHBondContact O-N 3.44Å; R4-S8 PolarHBondContact O-OG 3.07Å; R5-S8 PolarHBondContact O-N 2.94Å; S8-I11 PolarHBondContact O-N 3.43Å; S8-I12 WeakPolarHBondContact O-CB 2.93Å; S8-I12 WeakPolarHBondContact O-CD1 2.97Å; S8-I12 WeakPolarHBondContact O-CG1 3.14Å; S8-I12 PolarHBondContact O-N 2.81Å
9	L	78.6	Confident	74.4	Confident	118 Å²	118	124.8 Å²	124.8	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-62.3	-43.4	173.9	-97.4	142.2	0	0	0	112.2	R5 V6 R7 I12 L13	R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 PolarHBondContact O-N 2.92Å; V6-L9 PolarHBondContact O-N 2.85Å; R7-L9 VanDerWaalsContact C-N 3.34Å; R7-L9 PolarHBondContact O-N 2.79Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 PolarHBondContact O-N 3.21Å
10	C	80.8	Confident	74.4	Confident	71 Å²	71	123.8 Å²	123.8	48%	0.48	61%	0.61	S	S	.	*	H	α-helix	trans	-63.9	-40.3	176.2	-70.4	0	0	0	0	112.7	V6 R7 L13 L14	V6-C10 PolarHBondContact O-N 2.81Å; V6-C10 PolarHBondContact O-SG 3.15Å; R7-C10 PolarHBondContact O-N 3.03Å; C10-L13 PolarHBondContact O-N 2.95Å; C10-L14 WeakPolarHBondContact O-CB 3.18Å; C10-L14 PolarHBondContact O-N 3.09Å
11	I	84.9	Confident	74.4	Confident	105 Å²	105	123.9 Å²	123.9	54%	0.538	61%	0.605	S	S	.	*	H	α-helix	trans	-67.4	-43.5	178.3	-67	167.4	0	0	0	110.5	R7 S8 L13 L14 C15	R7-I11 WeakPolarHBondContact O-CG1 3.38Å; R7-I11 PolarHBondContact O-N 3.46Å; S8-I11 PolarHBondContact O-N 3.43Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 2.67Å; I11-C15 WeakPolarHBondContact O-CB 3.42Å; I11-C15 PolarHBondContact O-N 3.04Å; I11-C15 PolarHBondContact O-SG 3.12Å; I11-C15 VanDerWaalsContact O-SG 3.33Å
12	I	84.9	Confident	75.7	Confident	108 Å²	108	118.3 Å²	118.3	55%	0.554	58%	0.578	S	S	*	*	H	α-helix	trans	-61.8	-41.2	176.2	-68.1	165	0	0	0	110.5	S8 L9 C15 T16	S8-I12 WeakPolarHBondContact O-CB 2.93Å; S8-I12 WeakPolarHBondContact O-CD1 2.97Å; S8-I12 WeakPolarHBondContact O-CG1 3.14Å; S8-I12 PolarHBondContact O-N 2.81Å; L9-I12 PolarHBondContact O-N 2.96Å; I12-C15 PolarHBondContact O-N 3.14Å; I12-T16 WeakPolarHBondContact O-CB 3.43Å; I12-T16 PolarHBondContact O-N 3.17Å; I12-T16 PolarHBondContact O-OG1 3.18Å
13	L	85.5	Confident	76.2	Confident	107 Å²	107	111.3 Å²	111.3	56%	0.56	56%	0.56	S	S	*	*	H	α-helix	trans	-63.2	-44.8	176.7	-159.4	85.2	0	0	0	111.7	L9 C10 I11 T16 I17	L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 PolarHBondContact O-N 3.21Å; C10-L13 PolarHBondContact O-N 2.95Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.09Å; L13-T16 VanDerWaalsContact CA-OG1 3.31Å; L13-T16 WeakPolarHBondContact CA-OG1 3.43Å; L13-T16 PolarHBondContact O-N 3.02Å; L13-T16 PolarHBondContact O-OG1 3.01Å; L13-I17 HydrophobicContact CD2-CD1 4.31Å; L13-I17 HydrophobicContact CG-CD1 4.15Å; L13-I17 WeakPolarHBondContact O-CB 3.38Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.93Å
14	L	86.1	Confident	75.9	Confident	118 Å²	118	109.3 Å²	109.3	62%	0.618	55%	0.548	S	S	*	.	H	α-helix	trans	-62.9	-44.8	176.2	-84.9	159.4	0	0	0	111.9	C10 I11 T16 I17 F18	C10-L14 WeakPolarHBondContact O-CB 3.18Å; C10-L14 PolarHBondContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 2.67Å; L14-T16 PolarHBondContact O-N 3.27Å; L14-I17 PolarHBondContact O-N 3.15Å; L14-F18 WeakPolarHBondContact O-CB 3.39Å; L14-F18 PolarHBondContact O-N 2.68Å
15	C	85.4	Confident	75.9	Confident	79 Å²	79	105.9 Å²	105.9	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-36.9	177.5	-68.9	0	0	0	0	112.3	I11 I12 F18 A19	I11-C15 WeakPolarHBondContact O-CB 3.42Å; I11-C15 PolarHBondContact O-N 3.04Å; I11-C15 PolarHBondContact O-SG 3.12Å; I11-C15 VanDerWaalsContact O-SG 3.33Å; I12-C15 PolarHBondContact O-N 3.14Å; C15-F18 PolarHBondContact O-N 3.15Å; C15-A19 VanDerWaalsContact O-CB 3.28Å; C15-A19 WeakPolarHBondContact O-CB 3.23Å; C15-A19 PolarHBondContact O-N 2.75Å
16	T	83.3	Confident	75.5	Confident	69 Å²	69	105.2 Å²	105.2	42%	0.423	54%	0.54	S	S	.	.	H	α-helix	trans	-70.8	-39.3	175.4	33.8	0	0	0	0	112.1	I12 L13 L14 F18 A19 L20	I12-T16 WeakPolarHBondContact O-CB 3.43Å; I12-T16 PolarHBondContact O-N 3.17Å; I12-T16 PolarHBondContact O-OG1 3.18Å; L13-T16 VanDerWaalsContact CA-OG1 3.31Å; L13-T16 WeakPolarHBondContact CA-OG1 3.43Å; L13-T16 PolarHBondContact O-N 3.02Å; L13-T16 PolarHBondContact O-OG1 3.01Å; L14-T16 PolarHBondContact O-N 3.27Å; T16-F18 VanDerWaalsContact C-N 3.3Å; T16-F18 PolarHBondContact O-N 3.01Å; T16-A19 PolarHBondContact O-N 3.3Å; T16-L20 VanDerWaalsContact O-CB 3.23Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.11Å
17	I	84.5	Confident	74	Confident	98 Å²	98	110.3 Å²	110.3	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-42.3	171.6	-70.1	165.3	0	0	0	110.3	L13 L14 Y21	L13-I17 HydrophobicContact CD2-CD1 4.31Å; L13-I17 HydrophobicContact CG-CD1 4.15Å; L13-I17 WeakPolarHBondContact O-CB 3.38Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.93Å; L14-I17 PolarHBondContact O-N 3.15Å; I17-Y21 VanDerWaalsContact O-CB 3.29Å; I17-Y21 WeakPolarHBondContact O-CB 3.29Å; I17-Y21 PolarHBondContact O-N 3.17Å
18	F	83.9	Confident	72.5	Confident	133 Å²	133	104 Å²	104	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-70.3	-40.5	179.5	-158.3	-103.4	0	0	0	112.3	L14 C15 T16 Y21 I22	L14-F18 WeakPolarHBondContact O-CB 3.39Å; L14-F18 PolarHBondContact O-N 2.68Å; C15-F18 PolarHBondContact O-N 3.15Å; T16-F18 VanDerWaalsContact C-N 3.3Å; T16-F18 PolarHBondContact O-N 3.01Å; F18-Y21 WeakPolarHBondContact O-CB 2.99Å; F18-Y21 PolarHBondContact O-N 3.49Å; F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CD1-CG1 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.58Å; F18-I22 HydrophobicContact CE1-CG1 4.3Å; F18-I22 WeakPolarHBondContact O-CG1 3.22Å; F18-I22 PolarHBondContact O-N 3.45Å
19	A	78.2	Confident	71.4	Confident	52 Å²	52	108.8 Å²	108.8	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-66.4	-40.1	174.4	0	0	0	0	0	112	C15 T16 I22 T23	C15-A19 VanDerWaalsContact O-CB 3.28Å; C15-A19 WeakPolarHBondContact O-CB 3.23Å; C15-A19 PolarHBondContact O-N 2.75Å; T16-A19 PolarHBondContact O-N 3.3Å; A19-I22 PolarHBondContact O-N 2.85Å; A19-T23 WeakPolarHBondContact O-CB 3.17Å; A19-T23 PolarHBondContact O-N 2.78Å; A19-T23 PolarHBondContact O-OG1 3.23Å
20	L	74.1	Confident	69.8	Low	103 Å²	103	105.7 Å²	105.7	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-61.9	-43.1	170.6	-83.8	161.7	0	0	0	110.8	T16 I22 T23 M24	T16-L20 VanDerWaalsContact O-CB 3.23Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.11Å; L20-I22 PolarHBondContact O-N 3.18Å; L20-T23 VanDerWaalsContact CA-OG1 3.29Å; L20-T23 WeakPolarHBondContact CA-OG1 2.97Å; L20-T23 PolarHBondContact O-N 2.81Å; L20-T23 PolarHBondContact O-OG1 3.48Å; L20-M24 WeakPolarHBondContact O-CB 3.23Å; L20-M24 WeakPolarHBondContact O-CG 3.28Å; L20-M24 PolarHBondContact O-N 3.05Å
21	Y	73	Confident	67.9	Low	127 Å²	127	112.6 Å²	112.6	50%	0.498	56%	0.563	S	S	.	*	H	α-helix	trans	-60.2	-46.5	175.5	178.5	-97.9	0	0	0	112	I17 F18 M24 Q25	I17-Y21 VanDerWaalsContact O-CB 3.29Å; I17-Y21 WeakPolarHBondContact O-CB 3.29Å; I17-Y21 PolarHBondContact O-N 3.17Å; F18-Y21 WeakPolarHBondContact O-CB 2.99Å; F18-Y21 PolarHBondContact O-N 3.49Å; Y21-M24 PolarHBondContact O-N 2.81Å; Y21-Q25 HydrophobicContact CD1-CG 4.47Å; Y21-Q25 HydrophobicContact CE1-CG 4.12Å; Y21-Q25 WeakPolarHBondContact O-CG 3.39Å; Y21-Q25 PolarHBondContact O-N 3.26Å; Y21-Q25 PolarHBondContact OH-NE2 3.37Å
22	I	72.8	Confident	66.3	Low	84 Å²	84	114.9 Å²	114.9	43%	0.431	57%	0.572	S	S	.	*	H	α-helix	trans	-64.4	-46.7	177.2	-68	171.6	0	0	0	110.8	F18 A19 L20 M24 Q25 Y26	F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CD1-CG1 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.58Å; F18-I22 HydrophobicContact CE1-CG1 4.3Å; F18-I22 WeakPolarHBondContact O-CG1 3.22Å; F18-I22 PolarHBondContact O-N 3.45Å; A19-I22 PolarHBondContact O-N 2.85Å; L20-I22 PolarHBondContact O-N 3.18Å; I22-M24 VanDerWaalsContact C-N 3.31Å; I22-M24 PolarHBondContact O-N 3.24Å; I22-Q25 PolarHBondContact O-N 3.31Å; I22-Y26 WeakPolarHBondContact O-CB 3.26Å; I22-Y26 PolarHBondContact O-N 3.05Å
23	T	61.5	Low	64.7	Low	78 Å²	78	117.2 Å²	117.2	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-65.8	-34.1	178.2	41.1	0	0	0	0	112.2	A19 L20 Y26 Y27	A19-T23 WeakPolarHBondContact O-CB 3.17Å; A19-T23 PolarHBondContact O-N 2.78Å; A19-T23 PolarHBondContact O-OG1 3.23Å; L20-T23 VanDerWaalsContact CA-OG1 3.29Å; L20-T23 WeakPolarHBondContact CA-OG1 2.97Å; L20-T23 PolarHBondContact O-N 2.81Å; L20-T23 PolarHBondContact O-OG1 3.48Å; T23-Y26 PolarHBondContact O-N 3.17Å; T23-Y27 PolarHBondContact O-N 3.32Å
24	M	51	Low	62.8	Low	97 Å²	97	115.8 Å²	115.8	48%	0.478	57%	0.571	S	S	.	*	H	α-helix	trans	-71.5	-30.5	173.2	-72.9	-173	103.5	0	0	113	L20 Y21 I22 Y26 N34	L20-M24 WeakPolarHBondContact O-CB 3.23Å; L20-M24 WeakPolarHBondContact O-CG 3.28Å; L20-M24 PolarHBondContact O-N 3.05Å; Y21-M24 PolarHBondContact O-N 2.81Å; I22-M24 VanDerWaalsContact C-N 3.31Å; I22-M24 PolarHBondContact O-N 3.24Å; M24-Y26 VanDerWaalsContact C-N 3.33Å; M24-N34 WeakPolarHBondContact CE-ND2 3.38Å
25	Q	58.8	Low	61.3	Low	138 Å²	138	114.7 Å²	114.7	65%	0.645	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-33.2	169.6	-75.8	-145.1	-24.9	0	0	112.1	Y21 I22	Y21-Q25 HydrophobicContact CD1-CG 4.47Å; Y21-Q25 HydrophobicContact CE1-CG 4.12Å; Y21-Q25 WeakPolarHBondContact O-CG 3.39Å; Y21-Q25 PolarHBondContact O-N 3.26Å; Y21-Q25 PolarHBondContact OH-NE2 3.37Å; I22-Q25 PolarHBondContact O-N 3.31Å
26	Y	56.4	Low	60	Low	178 Å²	178	115.9 Å²	115.9	70%	0.698	57%	0.566	S	S	*	*	H	α-helix	trans	-87.4	-32.6	-175.8	-127.9	-86.3	0	0	0	113.6	I22 T23 M24	I22-Y26 WeakPolarHBondContact O-CB 3.26Å; I22-Y26 PolarHBondContact O-N 3.05Å; T23-Y26 PolarHBondContact O-N 3.17Å; M24-Y26 VanDerWaalsContact C-N 3.33Å
27	Y	45.7	Very low	58.8	Low	197 Å²	197	116.1 Å²	116.1	77%	0.773	57%	0.567	S	S	*	*	S	Bend	trans	-147.6	90.5	-176.6	-69	-79.4	0	0	0	110.8	T23	T23-Y27 PolarHBondContact O-N 3.32Å
28	G	38.8	Very low	57	Low	56 Å²	56	116.6 Å²	116.6	58%	0.577	57%	0.57	S	S	*	*			trans	171.5	107.7	170.8	0	0	0	0	0	116	S30	G28-S30 PolarHBondContact O-N 2.56Å
29	E	50.6	Low	55.8	Low	169 Å²	169	116 Å²	116	79%	0.79	57%	0.569	S	S	*	*	S	Bend	trans	-67.4	30.3	-176.8	-107.1	-166.9	143.1	0	0	117.1	K180	E29-K180 IonicContact OE1-NZ 3.31Å; E29-K180 PolarHBondContact OE1-NZ 3.28Å
30	S	44.9	Very low	54.7	Low	52 Å²	52	116.3 Å²	116.3	36%	0.364	57%	0.568	S	S	.	*			trans	-137	64.4	-178.5	165.4	0	0	0	0	112.2	G28 E32 K33 N34	G28-S30 PolarHBondContact O-N 2.56Å; S30-E32 PolarHBondContact O-N 3.07Å; S30-K33 WeakPolarHBondContact OG-CB 3.27Å; S30-N34 PolarHBondContact O-ND2 3.35Å
31	R	41.9	Very low	53.6	Low	216 Å²	216	114.3 Å²	114.3	82%	0.815	56%	0.56	S	S	*	*	H	α-helix	trans	-62.3	-30.4	169	-162.3	176.4	-179.7	-174.5	-0.5	111.7	L35	R31-L35 HydrophobicContact CG-CD1 4.21Å; R31-L35 PolarHBondContact O-N 3Å
32	E	51.5	Low	52.5	Low	154 Å²	154	112.3 Å²	112.3	72%	0.72	56%	0.557	S	S	*	*	H	α-helix	trans	-81.1	-46.7	-167.3	-157.8	174.3	-167.8	0	0	113.8	S30 N34 L35 L36	S30-E32 PolarHBondContact O-N 3.07Å; E32-N34 VanDerWaalsContact C-N 3.28Å; E32-N34 PolarHBondContact O-N 3.46Å; E32-L35 PolarHBondContact O-N 3.27Å; E32-L36 PolarHBondContact O-N 2.95Å; E32-L36 VanDerWaalsContact O-N 3.17Å
33	K	51.5	Low	51.4	Low	157 Å²	157	114.5 Å²	114.5	68%	0.683	56%	0.563	S	S	*	*	H	α-helix	trans	-65.1	-34.3	-179	-137.8	176	-171.7	176.7	0	112	S30 T37	S30-K33 WeakPolarHBondContact OG-CB 3.27Å; K33-T37 WeakPolarHBondContact O-CB 3.48Å; K33-T37 PolarHBondContact O-N 3.22Å; K33-T37 PolarHBondContact O-OG1 3.11Å
34	N	44.8	Very low	50.4	Low	77 Å²	77	116 Å²	116	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-77.2	-36.9	-178.5	-69	-25.8	0	0	0	112.8	M24 S30 E32 T37 L38	M24-N34 WeakPolarHBondContact CE-ND2 3.38Å; S30-N34 PolarHBondContact O-ND2 3.35Å; E32-N34 VanDerWaalsContact C-N 3.28Å; E32-N34 PolarHBondContact O-N 3.46Å; N34-T37 PolarHBondContact O-N 2.76Å; N34-L38 VanDerWaalsContact O-CB 3.31Å; N34-L38 WeakPolarHBondContact O-CB 3.39Å; N34-L38 PolarHBondContact O-N 3Å
35	L	55.4	Low	49.7	Very low	94 Å²	94	120 Å²	120	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-67.1	-40.6	175.2	-108.6	143.7	0	0	0	111.7	R31 E32 L38 Q39	R31-L35 HydrophobicContact CG-CD1 4.21Å; R31-L35 PolarHBondContact O-N 3Å; E32-L35 PolarHBondContact O-N 3.27Å; L35-L38 PolarHBondContact O-N 3.06Å; L35-Q39 WeakPolarHBondContact O-CB 3.37Å; L35-Q39 WeakPolarHBondContact O-CG 3.24Å; L35-Q39 PolarHBondContact O-N 3.21Å
36	L	56.7	Low	48.9	Very low	105 Å²	105	123.6 Å²	123.6	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-66.5	-41.1	174.3	-74.6	167.4	0	0	0	112.1	E32 Q39 S40	E32-L36 PolarHBondContact O-N 2.95Å; E32-L36 VanDerWaalsContact O-N 3.17Å; L36-Q39 PolarHBondContact O-N 3.41Å; L36-S40 WeakPolarHBondContact O-CB 2.7Å; L36-S40 PolarHBondContact O-N 3.01Å
37	T	59	Low	48.1	Very low	74 Å²	74	121.4 Å²	121.4	45%	0.454	59%	0.588	S	S	.	*	H	α-helix	trans	-66.7	-37.8	175.5	-50.5	0	0	0	0	111.1	K33 N34 S40 T41	K33-T37 WeakPolarHBondContact O-CB 3.48Å; K33-T37 PolarHBondContact O-N 3.22Å; K33-T37 PolarHBondContact O-OG1 3.11Å; N34-T37 PolarHBondContact O-N 2.76Å; T37-S40 PolarHBondContact O-N 3.44Å; T37-S40 PolarHBondContact O-OG 3.06Å; T37-T41 VanDerWaalsContact O-CB 3.28Å; T37-T41 WeakPolarHBondContact O-CB 3.16Å; T37-T41 PolarHBondContact O-N 2.78Å; T37-T41 PolarHBondContact O-OG1 2.77Å
38	L	46.8	Very low	47.5	Very low	107 Å²	107	121 Å²	121	56%	0.56	59%	0.589	S	S	*	*	H	α-helix	trans	-67.2	-43.1	175.1	-159.8	87.8	0	0	0	111	N34 L35 T41 I42	N34-L38 VanDerWaalsContact O-CB 3.31Å; N34-L38 WeakPolarHBondContact O-CB 3.39Å; N34-L38 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.06Å; L38-T41 PolarHBondContact O-N 2.9Å; L38-I42 HydrophobicContact CD2-CD1 3.99Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CB 3.41Å; L38-I42 WeakPolarHBondContact O-CD1 3.49Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.39Å
39	Q	57.8	Low	47.2	Very low	122 Å²	122	124.2 Å²	124.2	57%	0.57	60%	0.601	S	S	*	*	H	α-helix	trans	-61.9	-41.3	173.8	-80.7	-177.6	-15.5	0	0	111.9	L35 L36 K43	L35-Q39 WeakPolarHBondContact O-CB 3.37Å; L35-Q39 WeakPolarHBondContact O-CG 3.24Å; L35-Q39 PolarHBondContact O-N 3.21Å; L36-Q39 PolarHBondContact O-N 3.41Å; Q39-K43 VanDerWaalsContact O-CB 3.28Å; Q39-K43 WeakPolarHBondContact O-CB 3.48Å; Q39-K43 PolarHBondContact O-N 3.05Å
40	S	55.8	Low	46.2	Very low	57 Å²	57	125.5 Å²	125.5	40%	0.399	61%	0.607	S	S	.	*	H	α-helix	trans	-67.9	-39.7	175.9	91.5	0	0	0	0	111.4	L36 T37 K43 D44	L36-S40 WeakPolarHBondContact O-CB 2.7Å; L36-S40 PolarHBondContact O-N 3.01Å; T37-S40 PolarHBondContact O-N 3.44Å; T37-S40 PolarHBondContact O-OG 3.06Å; S40-K43 CarbonylContact O-C 3.59Å; S40-K43 WeakPolarHBondContact O-CB 3.23Å; S40-K43 PolarHBondContact O-N 3.36Å; S40-D44 WeakPolarHBondContact O-CB 2.93Å; S40-D44 PolarHBondContact O-N 3.28Å
41	T	50.2	Low	45.4	Very low	61 Å²	61	126.5 Å²	126.5	37%	0.374	63%	0.625	S	S	.	*	H	α-helix	trans	-68.7	-38.8	179	-52.6	0	0	0	0	111.5	T37 L38 K43 D44 F45	T37-T41 VanDerWaalsContact O-CB 3.28Å; T37-T41 WeakPolarHBondContact O-CB 3.16Å; T37-T41 PolarHBondContact O-N 2.78Å; T37-T41 PolarHBondContact O-OG1 2.77Å; L38-T41 PolarHBondContact O-N 2.9Å; T41-K43 VanDerWaalsContact C-N 3.31Å; T41-D44 PolarHBondContact O-N 2.85Å; T41-F45 HydrophobicContact CG2-CD2 4.24Å; T41-F45 WeakPolarHBondContact O-CB 3.23Å; T41-F45 PolarHBondContact O-N 2.99Å
42	I	51	Low	44.6	Very low	85 Å²	85	122.9 Å²	122.9	44%	0.436	63%	0.627	S	S	.	*	H	α-helix	trans	-66.4	-35.8	173.4	-69.8	167	0	0	0	110.5	L38 R46	L38-I42 HydrophobicContact CD2-CD1 3.99Å; L38-I42 HydrophobicContact CG-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CB 3.41Å; L38-I42 WeakPolarHBondContact O-CD1 3.49Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.39Å; I42-R46 WeakPolarHBondContact O-CG 2.89Å; I42-R46 PolarHBondContact O-N 2.82Å
43	K	49.2	Very low	43.3	Very low	130 Å²	130	123.1 Å²	123.1	57%	0.565	63%	0.632	S	S	*	*	H	α-helix	trans	-68.2	-42.3	174.4	-159	179	-179.1	-171.4	0	111.5	Q39 S40 T41 F45 R46 E47	Q39-K43 VanDerWaalsContact O-CB 3.28Å; Q39-K43 WeakPolarHBondContact O-CB 3.48Å; Q39-K43 PolarHBondContact O-N 3.05Å; S40-K43 CarbonylContact O-C 3.59Å; S40-K43 WeakPolarHBondContact O-CB 3.23Å; S40-K43 PolarHBondContact O-N 3.36Å; T41-K43 VanDerWaalsContact C-N 3.31Å; K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 PolarHBondContact O-N 2.96Å; K43-R46 WeakPolarHBondContact O-CB 3.12Å; K43-R46 PolarHBondContact O-N 3.36Å; K43-E47 PolarHBondContact O-N 2.92Å
44	D	40	Very low	42	Very low	109 Å²	109	120.3 Å²	120.3	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-65.6	-33.7	175.4	-77.5	-9.5	0	0	0	112.5	S40 T41 R46 E47	S40-D44 WeakPolarHBondContact O-CB 2.93Å; S40-D44 PolarHBondContact O-N 3.28Å; T41-D44 PolarHBondContact O-N 2.85Å; D44-R46 VanDerWaalsContact C-N 3.28Å; D44-R46 PolarHBondContact O-N 2.97Å; D44-E47 PolarHBondContact O-N 2.84Å
45	F	37.6	Very low	41.2	Very low	182 Å²	182	122.7 Å²	122.7	80%	0.798	65%	0.649	S	S	*	*	H	α-helix	trans	-68.9	-25.5	172.9	-104.3	-84.4	0	0	0	113.1	T41 K43	T41-F45 HydrophobicContact CG2-CD2 4.24Å; T41-F45 WeakPolarHBondContact O-CB 3.23Å; T41-F45 PolarHBondContact O-N 2.99Å; K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 PolarHBondContact O-N 2.96Å
46	R	42.3	Very low	39.9	Very low	213 Å²	213	123.6 Å²	123.6	80%	0.804	66%	0.661	S	S	*	*	H	α-helix	trans	-82.4	-20.8	176	-75.6	-179.5	177	-174.1	0.2	113.2	I42 K43 D44	I42-R46 WeakPolarHBondContact O-CG 2.89Å; I42-R46 PolarHBondContact O-N 2.82Å; K43-R46 WeakPolarHBondContact O-CB 3.12Å; K43-R46 PolarHBondContact O-N 3.36Å; D44-R46 VanDerWaalsContact C-N 3.28Å; D44-R46 PolarHBondContact O-N 2.97Å
47	E	38.9	Very low	38.4	Very low	133 Å²	133	129.9 Å²	129.9	62%	0.621	68%	0.677	S	S	*	*	S	Bend	trans	-107.4	17.6	-170.4	-72.4	-174.4	-167.6	0	0	115.3	K43 D44 P49	K43-E47 PolarHBondContact O-N 2.92Å; D44-E47 PolarHBondContact O-N 2.84Å; E47-P49 VanDerWaalsContact O-CD 3.31Å; E47-P49 WeakPolarHBondContact O-CD 3.23Å
48	K	32	Very low	36.8	Very low	187 Å²	187	135.2 Å²	135.2	81%	0.813	70%	0.702	S	S	*	*			trans	-92.6	107.7	162.3	-86.2	-174.1	177.8	176.4	0	111	Q50	K48-Q50 PolarHBondContact O-N 3.13Å
49	P	32.5	Very low	35.8	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	71%	0.709	S	S	*	*			trans	-82	118.3	-177.4	32.8	-29.9	0	0	0	109.3	E47	E47-P49 VanDerWaalsContact O-CD 3.31Å; E47-P49 WeakPolarHBondContact O-CD 3.23Å
50	Q	30.6	Very low	34.2	Very low	196 Å²	196	135.7 Å²	135.7	92%	0.916	72%	0.721	S	S	*	*			trans	-120.7	116.6	158.1	-78.5	-167.5	-15.1	0	0	108.9	K48	K48-Q50 PolarHBondContact O-N 3.13Å
51	G	28.1	Very low	32.7	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	75%	0.748	S	S	*	*			trans	94.8	90.9	148.1	0	0	0	0	0	116.7	L53	G51-L53 PolarHBondContact O-N 2.91Å
52	V	24.6	Very low	31.4	Very low	140 Å²	140	144.8 Å²	144.8	85%	0.848	77%	0.767	S	S	*	*			trans	-21.6	116.3	150.1	-178.7	0	0	0	0	114
53	L	25.6	Very low	30.1	Very low	158 Å²	158	146 Å²	146	83%	0.827	79%	0.79	S	S	*	*			trans	-134.5	98.7	149.9	-93.7	165.6	0	0	0	108.2	G51 V55	G51-L53 PolarHBondContact O-N 2.91Å; L53-V55 PolarHBondContact O-N 2.94Å
54	S	23.3	Very low	28.8	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	80%	0.799	S	S	*	*			trans	-54.4	124.6	164.9	50.3	0	0	0	0	110.7
55	V	29	Very low	28.1	Very low	126 Å²	126	146.2 Å²	146.2	76%	0.764	81%	0.809	S	S	*	*			trans	-127.4	99.2	166.4	-166.3	0	0	0	0	108.5	L53 W57	L53-V55 PolarHBondContact O-N 2.94Å; V55-W57 PolarHBondContact O-N 3.04Å
56	P	26.5	Very low	27.3	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	81%	0.813	S	S	*	*			trans	-84.2	95.5	-173.8	31.5	-30.1	0	0	0	110.4
57	W	26.9	Very low	26.5	Very low	238 Å²	238	146.8 Å²	146.8	90%	0.902	81%	0.814	S	S	*	*			trans	-132.8	11.7	165.3	-107.5	71.7	0	0	0	113.7	V55	V55-W57 PolarHBondContact O-N 3.04Å
58	L	25.4	Very low	25.7	Very low	186 Å²	186	151.1 Å²	151.1	97%	0.974	83%	0.827	S	S	*	*	S	Bend	trans	-95.2	16.6	174.6	-81.7	169.3	0	0	0	114.4
59	A	25.5	Very low	25.2	Very low	85 Å²	85	147.9 Å²	147.9	70%	0.702	82%	0.823	S	S	*	*	S	Bend	trans	-137.9	80.3	174.9	0	0	0	0	0	110.3
60	N	24	Very low	24.6	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	82%	0.822	S	S	*	*			trans	162.8	84	146.2	-88	-17.4	0	0	0	110.2
61	M	24.1	Very low	24.3	Very low	197 Å²	197	150 Å²	150	97%	0.97	82%	0.823	S	S	*	*			trans	-153.8	76	144.6	-73	-156.4	91.5	0	0	108.1
62	S	23.3	Very low	24	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	83%	0.829	S	S	*	*			trans	-106.9	143.5	155.5	61	0	0	0	0	107.7
63	A	23.5	Very low	23.8	Very low	111 Å²	111	160.2 Å²	160.2	92%	0.917	83%	0.829	S	S	*	*	S	Bend	trans	71.5	108.5	174.2	0	0	0	0	0	117.6
64	G	22.3	Very low	23.7	Very low	73 Å²	73	158.6 Å²	158.6	75%	0.753	83%	0.828	S	S	*	*			trans	146.2	81	149.9	0	0	0	0	0	115
65	Q	25.4	Very low	23.8	Very low	170 Å²	170	161 Å²	161	79%	0.794	83%	0.833	S	S	*	*			trans	-166.5	76.5	140.5	-107.1	168.1	11.6	0	0	110.1	W67	Q65-W67 PolarHBondContact O-N 3.04Å
66	Q	20.7	Very low	23.7	Very low	187 Å²	187	160.8 Å²	160.8	87%	0.874	84%	0.838	S	S	*	*			trans	-75.7	104.4	164.5	-147.5	172.1	3.8	0	0	106.8
67	W	23.8	Very low	23.6	Very low	220 Å²	220	166.5 Å²	166.5	83%	0.833	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-86.4	123.9	171.9	-82.7	66.6	0	0	0	109.4	Q65	Q65-W67 PolarHBondContact O-N 3.04Å
68	Y	23.2	Very low	23.5	Very low	225 Å²	225	162.4 Å²	162.4	88%	0.882	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-62.1	135.5	-167.5	-94	-105.1	0	0	0	114.7
69	T	20.2	Very low	23.5	Very low	119 Å²	119	161.3 Å²	161.3	73%	0.73	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.5	153.4	150.4	47.1	0	0	0	0	110.7
70	D	21.6	Very low	23.5	Very low	150 Å²	150	162.4 Å²	162.4	80%	0.802	83%	0.834	S	S	*	*			trans	71.6	109	165.9	-68.2	-24.6	0	0	0	119.7
71	K	24.6	Very low	23.6	Very low	216 Å²	216	165.2 Å²	165.2	94%	0.939	84%	0.839	S	S	*	*				-157.5	145.6	120.7	-107.1	169.8	-171.2	-179.6	0	112.8
72	K	21.3	Very low	23.6	Very low	202 Å²	202	164.8 Å²	164.8	88%	0.878	84%	0.835	S	S	*	*			trans	-72.3	153.1	-167.2	-71.9	167.1	169.1	173.7	0	115
73	R	20.8	Very low	23.8	Very low	224 Å²	224	167.3 Å²	167.3	85%	0.845	84%	0.839	S	S	*	*			trans	2.8	146.2	148.4	-72.5	-177.9	177.7	179.9	-1.1	119
74	P	22.8	Very low	23.8	Very low	125 Å²	125	167 Å²	167	81%	0.812	83%	0.829	S	S	*	*				-127.1	157.4	115.1	35.5	-25.3	0	0	0	113.4
75	D	24.2	Very low	23.9	Very low	148 Å²	148	170 Å²	170	79%	0.791	83%	0.834	S	S	*	*			trans	-54.6	137.5	-176.8	-62.6	-50.4	0	0	0	115
76	S	28.3	Very low	23.9	Very low	123 Å²	123	167.5 Å²	167.5	86%	0.86	83%	0.83	S	S	*	*			trans	-128.3	125.4	151.7	58.6	0	0	0	0	109.5
77	R	24.8	Very low	24.1	Very low	233 Å²	233	168.2 Å²	168.2	88%	0.879	83%	0.83	S	S	*	*			trans	-74.9	138.7	-178.7	-67.1	173.7	179.7	169.4	-1.5	111.2
78	D	23.3	Very low	24.1	Very low	151 Å²	151	165.2 Å²	165.2	81%	0.807	83%	0.83	S	S	*	*			trans	22.1	112.2	138.4	-55.7	-43.2	0	0	0	119.3
79	I	26.5	Very low	24.1	Very low	164 Å²	164	164 Å²	164	84%	0.841	83%	0.829	S	S	*	*				-147.7	132.2	126.7	-58.6	-170.3	0	0	0	108.4
80	P	25.6	Very low	24.5	Very low	108 Å²	108	162.3 Å²	162.3	70%	0.701	83%	0.827	S	S	*	*			trans	-93.8	139.9	-168.5	35.6	-31.5	0	0	0	113.2
81	F	26.5	Very low	24.6	Very low	212 Å²	212	160.9 Å²	160.9	93%	0.93	82%	0.824	S	S	*	*			trans	-116.4	111	155	-107.2	-89.9	0	0	0	109	L83	F81-L83 PolarHBondContact O-N 3.25Å
82	Q	23.6	Very low	24.7	Very low	189 Å²	189	158.2 Å²	158.2	88%	0.883	82%	0.818	S	S	*	*			trans	-57.8	113.3	177.4	-70.2	171.7	-42.7	0	0	110.5
83	L	26.4	Very low	25	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	81%	0.808	S	S	*	*			trans	-82.7	115.5	153.3	-114.9	92.4	0	0	0	107.7	F81 T85	F81-L83 PolarHBondContact O-N 3.25Å; L83-T85 PolarHBondContact O-N 2.92Å; L83-T85 VanDerWaalsContact O-N 3.1Å
84	S	24.4	Very low	25.4	Very low	103 Å²	103	148.9 Å²	148.9	72%	0.72	80%	0.803	S	S	*	*			trans	-61	110.9	176.2	59.4	0	0	0	0	110.5	T86	S84-T86 VanDerWaalsContact C-N 3.28Å; S84-T86 PolarHBondContact O-N 2.94Å
85	T	23.3	Very low	25.8	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	80%	0.8	S	S	*	*			trans	-82.2	73	164.5	41	0	0	0	0	109.3	L83 K87	L83-T85 PolarHBondContact O-N 2.92Å; L83-T85 VanDerWaalsContact O-N 3.1Å; T85-K87 VanDerWaalsContact C-N 3.35Å; T85-K87 PolarHBondContact O-N 3.25Å; T85-K87 VanDerWaalsContact O-N 3.09Å
86	T	25.5	Very low	25.9	Very low	117 Å²	117	147.8 Å²	147.8	72%	0.718	80%	0.799	S	S	*	*			trans	-76.1	96.3	159.6	18.2	0	0	0	0	108.3	S84 L88	S84-T86 VanDerWaalsContact C-N 3.28Å; S84-T86 PolarHBondContact O-N 2.94Å; T86-L88 PolarHBondContact O-N 3.48Å
87	K	24.6	Very low	25.9	Very low	202 Å²	202	146.2 Å²	146.2	88%	0.878	79%	0.788	S	S	*	*			trans	-41.6	98.2	158.7	-73.4	171.8	173	171.4	0	110.1	T85 K89	T85-K87 VanDerWaalsContact C-N 3.35Å; T85-K87 PolarHBondContact O-N 3.25Å; T85-K87 VanDerWaalsContact O-N 3.09Å; K87-K89 PolarHBondContact O-N 2.87Å
88	L	25.4	Very low	26.1	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	79%	0.788	S	S	*	*			trans	-92.9	82.5	156.7	-96.6	152.7	0	0	0	107.5	T86 A90	T86-L88 PolarHBondContact O-N 3.48Å; L88-A90 PolarHBondContact O-N 2.82Å
89	K	22.7	Very low	26.2	Very low	200 Å²	200	144.8 Å²	144.8	87%	0.87	78%	0.783	S	S	*	*			trans	-59.9	88	147.8	-108	-178.1	172.2	-176.4	0	105.8	K87 T91	K87-K89 PolarHBondContact O-N 2.87Å; K89-T91 PolarHBondContact O-N 2.81Å
90	A	27.7	Very low	26.3	Very low	83 Å²	83	144.3 Å²	144.3	69%	0.686	78%	0.781	S	S	*	*			trans	-86.3	97.5	163.5	0	0	0	0	0	106.3	L88 I92	L88-A90 PolarHBondContact O-N 2.82Å; A90-I92 PolarHBondContact O-N 2.66Å
91	T	24.8	Very low	26.2	Very low	120 Å²	120	145.3 Å²	145.3	74%	0.736	79%	0.786	S	S	*	*			trans	-40.8	131	167.1	-42.6	0	0	0	0	109.9	K89 D93	K89-T91 PolarHBondContact O-N 2.81Å; T91-D93 VanDerWaalsContact C-N 3.27Å; T91-D93 PolarHBondContact O-N 3.12Å
92	I	26.1	Very low	26.3	Very low	159 Å²	159	139.9 Å²	139.9	82%	0.815	77%	0.765	S	S	*	*			trans	-58.3	95.6	163.4	-63.1	167.8	0	0	0	105.9	A90	A90-I92 PolarHBondContact O-N 2.66Å
93	D	27.3	Very low	26.5	Very low	124 Å²	124	137.4 Å²	137.4	66%	0.663	75%	0.754	S	S	*	*			trans	-98.3	84.2	169.1	-141.6	11.9	0	0	0	107	T91 G95	T91-D93 VanDerWaalsContact C-N 3.27Å; T91-D93 PolarHBondContact O-N 3.12Å; D93-G95 PolarHBondContact O-N 3.44Å; D93-G95 VanDerWaalsContact O-N 3.07Å
94	S	30	Very low	26.8	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	103.7	158	49.1	0	0	0	0	108.2
95	G	30.3	Very low	27.3	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	145	-3.2	165.6	0	0	0	0	0	118.5	D93	D93-G95 PolarHBondContact O-N 3.44Å; D93-G95 VanDerWaalsContact O-N 3.07Å
96	K	26.8	Very low	27.9	Very low	178 Å²	178	139.6 Å²	139.6	77%	0.774	75%	0.746	S	S	*	*			trans	-128.1	90.8	174.4	-69.4	-176.6	-178.6	173.8	0	111	K98	K96-K98 PolarHBondContact O-N 3.18Å
97	S	28.1	Very low	28.6	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	73%	0.728	S	S	*	*			trans	-43.2	107	156.7	171.4	0	0	0	0	107.9	H99	S97-H99 PolarHBondContact O-N 3.25Å
98	K	30	Very low	29.5	Very low	200 Å²	200	129.3 Å²	129.3	87%	0.87	70%	0.703	S	S	*	*			trans	-64.9	91.9	155	-80.9	-175.3	176.9	-179.4	0	104.1	K96 L100	K96-K98 PolarHBondContact O-N 3.18Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.49Å
99	H	25.4	Very low	30.4	Very low	154 Å²	154	126.8 Å²	126.8	71%	0.713	69%	0.694	S	S	*	*			trans	-52.2	105.5	162.2	-82.3	-58.8	0	0	0	105.6	S97 T101	S97-H99 PolarHBondContact O-N 3.25Å; H99-T101 VanDerWaalsContact C-N 3.29Å; H99-T101 PolarHBondContact O-N 3.44Å
100	L	27.2	Very low	31.9	Very low	153 Å²	153	118.5 Å²	118.5	80%	0.801	66%	0.661	S	S	*	*			trans	-49.6	110.9	150.6	-110.7	117.4	0	0	0	104	K98 I102	K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.49Å; L100-I102 PolarHBondContact O-N 3.27Å
101	T	24	Very low	33	Very low	129 Å²	129	116.6 Å²	116.6	79%	0.791	64%	0.641	S	S	*	*			trans	-67.8	87.6	173	-34	0	0	0	0	105.4	H99 E103	H99-T101 VanDerWaalsContact C-N 3.29Å; H99-T101 PolarHBondContact O-N 3.44Å; T101-E103 PolarHBondContact O-N 3.07Å
102	I	28.8	Very low	34.2	Very low	98 Å²	98	119.7 Å²	119.7	50%	0.503	65%	0.645	S	S	.	*			trans	-67.8	103.1	169.5	-59.3	173.2	0	0	0	104	L100 T104	L100-I102 PolarHBondContact O-N 3.27Å; I102-T104 HydrophobicContact CG2-CG2 4.22Å; I102-T104 PolarHBondContact O-N 3.32Å
103	E	28.3	Very low	35.4	Very low	138 Å²	138	114.3 Å²	114.3	65%	0.645	62%	0.617	S	S	*	*			trans	-62.3	91.2	168.7	-71	-175.8	158.5	0	0	108.2	T101 F105	T101-E103 PolarHBondContact O-N 3.07Å; E103-F105 VanDerWaalsContact C-N 3.26Å; E103-F105 HydrophobicContact CB-CD2 4Å; E103-F105 HydrophobicContact CB-CE2 3.9Å; E103-F105 PolarHBondContact O-N 3.11Å; E103-F105 WeakPolarHBondContact OE2-CE2 3.29Å
104	T	31	Very low	36.7	Very low	126 Å²	126	112.1 Å²	112.1	77%	0.773	61%	0.605	S	S	*	*			trans	-72.4	84.6	169.3	51.4	0	0	0	0	107.9	I102	I102-T104 HydrophobicContact CG2-CG2 4.22Å; I102-T104 PolarHBondContact O-N 3.32Å
105	F	36	Very low	37.9	Very low	122 Å²	122	111.7 Å²	111.7	54%	0.535	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-66.1	158.1	162.3	-77.8	-100.3	0	0	0	109.7	E103 S107 K1145	E103-F105 VanDerWaalsContact C-N 3.26Å; E103-F105 HydrophobicContact CB-CD2 4Å; E103-F105 HydrophobicContact CB-CE2 3.9Å; E103-F105 PolarHBondContact O-N 3.11Å; E103-F105 WeakPolarHBondContact OE2-CE2 3.29Å; F105-S107 PolarHBondContact O-N 3.34Å; F105-K1145 VanDerWaalsContact CB-CE 3.45Å
106	Q	35.7	Very low	39.1	Very low	202 Å²	202	113 Å²	113	94%	0.944	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-46	116.3	171.8	-78.8	-178.3	-24	0	0	109.5
107	S	39.9	Very low	40.7	Very low	51 Å²	51	104.9 Å²	104.9	36%	0.357	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-54	149.3	-175.9	-50.8	0	0	0	0	110.6	F105 V109	F105-S107 PolarHBondContact O-N 3.34Å; S107-V109 PolarHBondContact O-N 3.42Å; S107-V109 VanDerWaalsContact O-N 3.09Å
108	P	43.1	Very low	42.2	Very low	53 Å²	53	104.3 Å²	104.3	34%	0.344	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-50.5	122.8	172	18.4	-30	0	0	0	110.4	C110 Y1149 F1153	P108-C110 PolarHBondContact O-N 3.28Å; P108-Y1149 HydrophobicContact CG-CG 4.37Å; P108-F1153 HydrophobicContact CB-CD1 4.43Å; P108-F1153 HydrophobicContact CB-CD2 3.18Å; P108-F1153 HydrophobicContact CB-CE1 4.44Å; P108-F1153 HydrophobicContact CB-CE2 3.17Å; P108-F1153 HydrophobicContact CB-CG 3.85Å; P108-F1153 HydrophobicContact CB-CZ 3.85Å; P108-F1153 HydrophobicContact CG-CD2 4.36Å; P108-F1153 HydrophobicContact CG-CE2 4.17Å
109	V	45.1	Very low	44	Very low	104 Å²	104	96.7 Å²	96.7	63%	0.63	52%	0.515	S	S	*	.			trans	-67.7	101.5	173.9	179.4	0	0	0	0	106.3	S107 F1153	S107-V109 PolarHBondContact O-N 3.42Å; S107-V109 VanDerWaalsContact O-N 3.09Å; V109-F1153 WeakPolarHBondContact O-CE1 3.47Å
110	C	53.4	Low	46.5	Very low	26 Å²	26	97 Å²	97	18%	0.176	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-52.4	139.2	168.5	-62	0	0	0	0	108.6	P108 K112 C1138	P108-C110 PolarHBondContact O-N 3.28Å; C110-K112 PolarHBondContact O-N 3.16Å; C110-K112 VanDerWaalsContact O-N 3.11Å; C110-C1138 HydrophobicContact CB-CB 4.41Å; C110-C1138 WeakPolarHBondContact CB-SG 3.26Å; C110-C1138 VanDerWaalsContact SG-CA 3.56Å; C110-C1138 WeakPolarHBondContact SG-CB 3.44Å; C110-C1138 CovalentContact SG-SG 2.02Å; C110-C1138 PolarHBondContact SG-SG 3.43Å
111	P	51.3	Low	49.5	Very low	43 Å²	43	90.5 Å²	90.5	28%	0.279	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-50.7	126.8	167.5	-18.9	29.5	0	0	0	107.4	I113 P1136	P111-I113 PolarHBondContact O-N 2.91Å; P111-I113 VanDerWaalsContact O-N 3.12Å; P111-P1136 HydrophobicContact CG-CG 4.45Å
112	K	49.4	Very low	52.8	Low	185 Å²	185	88.6 Å²	88.6	80%	0.804	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-60.2	122.3	164.5	-81.8	-172.8	176.3	-176	0	105.3	C110 D114	C110-K112 PolarHBondContact O-N 3.16Å; C110-K112 VanDerWaalsContact O-N 3.11Å; K112-D114 PolarHBondContact O-N 2.86Å
113	I	53.2	Low	56	Low	46 Å²	46	85.7 Å²	85.7	24%	0.236	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-58.8	124.9	166	-69	175.7	0	0	0	106	P111 N115 Y117 Q1052	P111-I113 PolarHBondContact O-N 2.91Å; P111-I113 VanDerWaalsContact O-N 3.12Å; I113-N115 VanDerWaalsContact CG2-O 3.31Å; I113-N115 WeakPolarHBondContact CG2-O 3.29Å; I113-N115 PolarHBondContact O-N 3.2Å; I113-N115 VanDerWaalsContact O-N 3.1Å; I113-Y117 HydrophobicContact CB-CE2 4.32Å; I113-Y117 HydrophobicContact CD1-CE2 4.38Å; I113-Y117 HydrophobicContact CG2-CD2 3.5Å; I113-Y117 VanDerWaalsContact CG2-CD2 3.5Å; I113-Y117 HydrophobicContact CG2-CE2 2.97Å; I113-Q1052 HydrophobicContact CD1-CG 4.25Å
114	D	54.5	Low	59.1	Low	78 Å²	78	81.8 Å²	81.8	42%	0.417	44%	0.442	S	S	.	.	S	Bend	trans	-64.3	-16.6	-172.2	-70.2	-45.3	0	0	0	112.6	K112 R1133	K112-D114 PolarHBondContact O-N 2.86Å; D114-R1133 IonicContact OD2-NH1 3.41Å; D114-R1133 PolarHBondContact OD2-NH1 3.11Å
115	N	54.4	Low	62.2	Low	97 Å²	97	76 Å²	76	52%	0.519	41%	0.406	S	S	.	.	S	Bend	trans	-134.5	149	-170.2	-65.5	-34.5	0	0	0	114.8	I113 Y117	I113-N115 VanDerWaalsContact CG2-O 3.31Å; I113-N115 WeakPolarHBondContact CG2-O 3.29Å; I113-N115 PolarHBondContact O-N 3.2Å; I113-N115 VanDerWaalsContact O-N 3.1Å; N115-Y117 HydrophobicContact CB-CD1 4.18Å; N115-Y117 HydrophobicContact CB-CE1 3.88Å
116	D	55	Low	64.9	Low	101 Å²	101	72 Å²	72	54%	0.54	39%	0.39	S	S	.	.			trans	-73.5	119.1	161.7	-169.2	-3.3	0	0	0	108.6	S118 A332	D116-S118 PolarHBondContact OD1-N 2.77Å; D116-A332 WeakPolarHBondContact O-CB 3.28Å
117	Y	61.9	Low	67.7	Low	7 Å²	7	66.9 Å²	66.9	3%	0.027	37%	0.369	C	S	.	.			trans	-100.8	18.3	-172.4	-70.4	-54.2	0	0	0	113.5	I113 N115 V119 W330 T1053 I1054 S1209	I113-Y117 HydrophobicContact CB-CE2 4.32Å; I113-Y117 HydrophobicContact CD1-CE2 4.38Å; I113-Y117 HydrophobicContact CG2-CD2 3.5Å; I113-Y117 VanDerWaalsContact CG2-CD2 3.5Å; I113-Y117 HydrophobicContact CG2-CE2 2.97Å; N115-Y117 HydrophobicContact CB-CD1 4.18Å; N115-Y117 HydrophobicContact CB-CE1 3.88Å; Y117-V119 PolarHBondContact O-N 2.86Å; Y117-W330 HydrophobicContact CD1-CB 4.36Å; Y117-W330 WeakPolarHBondContact CD1-O 3.4Å; Y117-W330 HydrophobicContact CE1-CB 4.35Å; Y117-W330 WeakPolarHBondContact CE1-O 3.44Å; Y117-T1053 PolarHBondContact O-OG1 3.07Å; Y117-I1054 HydrophobicContact CD1-CD1 3.77Å; Y117-I1054 HydrophobicContact CD2-CD1 3.18Å; Y117-I1054 HydrophobicContact CE1-CD1 4.3Å; Y117-I1054 HydrophobicContact CE2-CD1 3.69Å; Y117-I1054 HydrophobicContact CG-CD1 3.19Å; Y117-I1054 HydrophobicContact CG-CG1 4.36Å; Y117-S1209 PolarHBondContact OH-O 3.32Å
118	S	59.5	Low	70.3	Confident	77 Å²	77	64.6 Å²	64.6	54%	0.538	35%	0.353	S	S	.	.			trans	-70.6	94.5	171.7	78.5	0	0	0	0	110.6	D116	D116-S118 PolarHBondContact OD1-N 2.77Å
119	V	66.6	Low	72.8	Confident	41 Å²	41	62.6 Å²	62.6	25%	0.248	34%	0.339	C	S	.	.			trans	-95.8	120.8	175.1	-174.4	0	0	0	0	110	Y117 T121 H327 P329 A332	Y117-V119 PolarHBondContact O-N 2.86Å; V119-T121 HydrophobicContact CG1-CG2 3.77Å; V119-H327 VanDerWaalsContact CG1-CD2 3.47Å; V119-H327 WeakPolarHBondContact CG1-CD2 3.06Å; V119-H327 WeakPolarHBondContact CG1-NE2 3.47Å; V119-P329 WeakPolarHBondContact CG2-O 3.39Å; V119-A332 HydrophobicContact CG2-CB 4.22Å
120	N	77.8	Confident	75.1	Confident	161 Å²	161	61.3 Å²	61.3	86%	0.861	33%	0.328	S	S	*	.			trans	-99.4	106.1	167.4	-163.4	15.2	0	0	0	109.3
121	T	90	Very high	77.1	Confident	15 Å²	15	66 Å²	66	9%	0.092	35%	0.347	C	S	.	.			trans	-94.2	153.2	173.9	51.5	0	0	0	0	111.2	V119 Y123 H327 S481 S483	V119-T121 HydrophobicContact CG1-CG2 3.77Å; T121-Y123 VanDerWaalsContact C-N 3.27Å; T121-Y123 PolarHBondContact O-N 3.42Å; T121-Y123 PolarHBondContact OG1-O 3.27Å; T121-H327 HydrophobicContact CG2-CB 4.18Å; T121-S481 VanDerWaalsContact CA-OG 3.31Å; T121-S481 WeakPolarHBondContact CA-OG 3.35Å; T121-S483 PolarHBondContact OG1-OG 3.05Å
122	T	94.2	Very high	79.1	Confident	89 Å²	89	64.5 Å²	64.5	55%	0.546	34%	0.337	S	S	.	.	S	Bend	trans	-61	-41.2	175.7	-48.4	0	0	0	0	111.1	P480 S481	T122-P480 HydrophobicContact CG2-CB 3.79Å; T122-S481 WeakPolarHBondContact CB-O 3.25Å; T122-S481 PolarHBondContact N-O 3.06Å; T122-S481 PolarHBondContact N-OG 2.85Å; T122-S481 PolarHBondContact OG1-N 2.76Å; T122-S481 PolarHBondContact OG1-OG 2.9Å
123	Y	96	Very high	81.2	Confident	37 Å²	37	58.2 Å²	58.2	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.9	178.8	-64.7	-69	0	0	0	110.9	T121 I128 Y315 L316 A321 P480 S481 L482 S483	T121-Y123 VanDerWaalsContact C-N 3.27Å; T121-Y123 PolarHBondContact O-N 3.42Å; T121-Y123 PolarHBondContact OG1-O 3.27Å; Y123-I128 HydrophobicContact CD1-CD1 4.05Å; Y123-I128 HydrophobicContact CG-CD1 4.38Å; Y123-Y315 HydrophobicContact CD1-CE1 4.2Å; Y123-Y315 HydrophobicContact CE1-CE1 4.03Å; Y123-L316 HydrophobicContact CG-CD2 4.46Å; Y123-A321 HydrophobicContact CD2-CB 4.48Å; Y123-A321 HydrophobicContact CE2-CB 3.6Å; Y123-P480 HydrophobicContact CD2-CB 3.84Å; Y123-P480 HydrophobicContact CD2-CG 4.16Å; Y123-P480 HydrophobicContact CE2-CB 3.59Å; Y123-P480 HydrophobicContact CE2-CG 3.75Å; Y123-S481 PolarHBondContact N-O 2.93Å; Y123-L482 CarbonylContact O-C 3.6Å; Y123-L482 VanDerWaalsContact O-CA 3.28Å; Y123-L482 WeakPolarHBondContact O-CA 3.18Å; Y123-S483 PolarHBondContact O-N 2.92Å
124	Q	94.1	Very high	83.1	Confident	57 Å²	57	56.1 Å²	56.1	27%	0.266	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.6	172.9	-150	-62.6	-28.5	0	0	108	N126 N127 I128	Q124-N126 VanDerWaalsContact C-N 3.35Å; Q124-N126 PolarHBondContact O-N 2.89Å; Q124-N127 HydrophobicContact CB-CB 4.32Å; Q124-N127 WeakPolarHBondContact O-CB 3.16Å; Q124-N127 PolarHBondContact O-N 3.26Å; Q124-I128 PolarHBondContact O-N 3.21Å
125	M	95.4	Very high	84.6	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-35.4	-170.9	-75.1	-54.8	-54.7	0	0	114.6	N127 I128 Y129 V312 L482 S483 F486	M125-N127 VanDerWaalsContact C-N 3.31Å; M125-N127 PolarHBondContact O-N 3.49Å; M125-I128 HydrophobicContact CE-CG2 4.49Å; M125-I128 PolarHBondContact O-N 3.45Å; M125-I128 HydrophobicContact SD-CD1 3.84Å; M125-Y129 HydrophobicContact CE-CD2 3.84Å; M125-Y129 HydrophobicContact CE-CE2 3.51Å; M125-Y129 WeakPolarHBondContact O-CB 3.17Å; M125-Y129 VanDerWaalsContact O-CD2 3.28Å; M125-Y129 WeakPolarHBondContact O-CD2 3.49Å; M125-Y129 PolarHBondContact O-N 2.81Å; M125-V312 HydrophobicContact CE-CG1 3.76Å; M125-V312 HydrophobicContact CE-CG2 3.94Å; M125-V312 HydrophobicContact SD-CG1 4.39Å; M125-L482 HydrophobicContact CG-CD2 4.15Å; M125-L482 HydrophobicContact SD-CD1 4.18Å; M125-L482 HydrophobicContact SD-CD2 4.41Å; M125-S483 PolarHBondContact N-O 2.92Å; M125-F486 HydrophobicContact CE-CD1 3.98Å; M125-F486 HydrophobicContact CE-CE1 4.04Å; M125-F486 HydrophobicContact SD-CD1 4.24Å; M125-F486 HydrophobicContact SD-CE1 3.73Å; M125-F486 HydrophobicContact SD-CZ 4.46Å
126	N	92.2	Very high	86.2	Confident	40 Å²	40	53.5 Å²	53.5	21%	0.214	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-37.7	174.6	-64	-16.4	0	0	0	111.2	Q124 Y129 N130 Q950	Q124-N126 VanDerWaalsContact C-N 3.35Å; Q124-N126 PolarHBondContact O-N 2.89Å; N126-Y129 PolarHBondContact O-N 2.71Å; N126-N130 VanDerWaalsContact O-CG 3.31Å; N126-N130 PolarHBondContact O-N 3.22Å; N126-N130 PolarHBondContact O-ND2 2.72Å; N126-Q950 PolarHBondContact ND2-O 3.13Å
127	N	94	Very high	87.7	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-38.9	174.5	-68	-17.2	0	0	0	111.6	Q124 M125 N130 Q131	Q124-N127 HydrophobicContact CB-CB 4.32Å; Q124-N127 WeakPolarHBondContact O-CB 3.16Å; Q124-N127 PolarHBondContact O-N 3.26Å; M125-N127 VanDerWaalsContact C-N 3.31Å; M125-N127 PolarHBondContact O-N 3.49Å; N127-N130 PolarHBondContact O-N 3.42Å; N127-Q131 WeakPolarHBondContact O-CG 3.42Å; N127-Q131 PolarHBondContact O-N 2.75Å
128	I	96	Very high	88.7	Confident	3 Å²	3	59 Å²	59	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-49.2	174	-67.3	172	0	0	0	109.9	Y123 Q124 M125 N130 Q131 L132 Y315	Y123-I128 HydrophobicContact CD1-CD1 4.05Å; Y123-I128 HydrophobicContact CG-CD1 4.38Å; Q124-I128 PolarHBondContact O-N 3.21Å; M125-I128 HydrophobicContact CE-CG2 4.49Å; M125-I128 PolarHBondContact O-N 3.45Å; M125-I128 HydrophobicContact SD-CD1 3.84Å; I128-N130 PolarHBondContact O-N 3.28Å; I128-Q131 WeakPolarHBondContact O-CA 3.44Å; I128-Q131 WeakPolarHBondContact O-CB 3.35Å; I128-Q131 PolarHBondContact O-N 2.89Å; I128-L132 HydrophobicContact CG2-CD1 3.65Å; I128-L132 HydrophobicContact CG2-CG 3.93Å; I128-L132 WeakPolarHBondContact O-CG 3.45Å; I128-L132 PolarHBondContact O-N 2.87Å; I128-Y315 HydrophobicContact CD1-CD1 4.26Å; I128-Y315 HydrophobicContact CD1-CE1 3.96Å; I128-Y315 HydrophobicContact CG1-CD1 4.4Å; I128-Y315 HydrophobicContact CG1-CE1 3.88Å; I128-Y315 HydrophobicContact CG2-CD1 4.16Å; I128-Y315 HydrophobicContact CG2-CE1 4.36Å; I128-Y315 HydrophobicContact CG2-CG 4.27Å
129	Y	94.2	Very high	89.9	Confident	12 Å²	12	56.8 Å²	56.8	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-56.8	-37.9	177.8	-91.4	-125.8	0	0	0	112	M125 N126 Q131 F134 V312 F487 K956	M125-Y129 HydrophobicContact CE-CD2 3.84Å; M125-Y129 HydrophobicContact CE-CE2 3.51Å; M125-Y129 WeakPolarHBondContact O-CB 3.17Å; M125-Y129 VanDerWaalsContact O-CD2 3.28Å; M125-Y129 WeakPolarHBondContact O-CD2 3.49Å; M125-Y129 PolarHBondContact O-N 2.81Å; N126-Y129 PolarHBondContact O-N 2.71Å; Y129-Q131 VanDerWaalsContact C-N 3.3Å; Y129-Q131 PolarHBondContact O-N 3.2Å; Y129-F134 HydrophobicContact CD1-CE2 4.29Å; Y129-F134 AromaticContact CD1-CZ 3.64Å; Y129-F134 HydrophobicContact CD1-CZ 3.64Å; Y129-F134 HydrophobicContact CD2-CZ 4.13Å; Y129-F134 HydrophobicContact CE1-CE1 4.37Å; Y129-F134 AromaticContact CE1-CZ 3.87Å; Y129-F134 HydrophobicContact CE1-CZ 3.87Å; Y129-F134 HydrophobicContact CE2-CZ 4.32Å; Y129-F134 HydrophobicContact CG-CE2 4.45Å; Y129-F134 AromaticContact CG-CZ 3.79Å; Y129-F134 HydrophobicContact CG-CZ 3.79Å; Y129-V312 HydrophobicContact CE2-CG2 3.94Å; Y129-F487 PolarHBondContact OH-O 3.36Å; Y129-F487 VanDerWaalsContact OH-O 3.08Å; Y129-K956 WeakPolarHBondContact O-CE 3.46Å; Y129-K956 PolarHBondContact O-NZ 3.04Å
130	N	93.8	Very high	90.7	Very high	77 Å²	77	56.7 Å²	56.7	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-34.5	174.2	-76.9	-31	0	0	0	113.2	N126 N127 I128 H954 K956	N126-N130 VanDerWaalsContact O-CG 3.31Å; N126-N130 PolarHBondContact O-N 3.22Å; N126-N130 PolarHBondContact O-ND2 2.72Å; N127-N130 PolarHBondContact O-N 3.42Å; I128-N130 PolarHBondContact O-N 3.28Å; N130-H954 PolarHBondContact OD1-CE1 2.97Å; N130-K956 PolarHBondContact O-NZ 2.95Å
131	Q	94.8	Very high	90.8	Very high	123 Å²	123	52.1 Å²	52.1	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-82.4	-30.8	-179.4	-66.5	170.4	27.1	0	0	114	N127 I128 Y129 Y315	N127-Q131 WeakPolarHBondContact O-CG 3.42Å; N127-Q131 PolarHBondContact O-N 2.75Å; I128-Q131 WeakPolarHBondContact O-CA 3.44Å; I128-Q131 WeakPolarHBondContact O-CB 3.35Å; I128-Q131 PolarHBondContact O-N 2.89Å; Y129-Q131 VanDerWaalsContact C-N 3.3Å; Y129-Q131 PolarHBondContact O-N 3.2Å; Q131-Y315 PolarHBondContact OE1-OH 2.8Å
132	L	94.7	Very high	90.4	Very high	12 Å²	12	53 Å²	53	6%	0.063	30%	0.302	C	S	.	.			trans	-73.5	140.4	-175.1	-67.8	178.9	0	0	0	112.6	I128 F134 E311 V312 Y315 K956	I128-L132 HydrophobicContact CG2-CD1 3.65Å; I128-L132 HydrophobicContact CG2-CG 3.93Å; I128-L132 WeakPolarHBondContact O-CG 3.45Å; I128-L132 PolarHBondContact O-N 2.87Å; L132-F134 HydrophobicContact CB-CD2 4.05Å; L132-F134 HydrophobicContact CB-CE1 4.4Å; L132-F134 HydrophobicContact CB-CE2 3.77Å; L132-F134 HydrophobicContact CB-CG 4.5Å; L132-F134 HydrophobicContact CB-CZ 3.96Å; L132-F134 HydrophobicContact CD1-CE1 4.12Å; L132-F134 HydrophobicContact CD1-CZ 4.04Å; L132-E311 HydrophobicContact CD1-CB 4.21Å; L132-E311 HydrophobicContact CD2-CB 4.49Å; L132-V312 HydrophobicContact CD1-CG2 3.74Å; L132-Y315 HydrophobicContact CD2-CD2 3.7Å; L132-Y315 HydrophobicContact CD2-CG 4.15Å; L132-K956 WeakPolarHBondContact O-CE 3.46Å; L132-K956 PolarHBondContact O-NZ 3.2Å
133	A	92.7	Very high	89.7	Confident	53 Å²	53	52.5 Å²	52.5	44%	0.438	30%	0.299	S	S	.	.			trans	-81.3	-26.6	174.5	0	0	0	0	0	112.9	D135	A133-D135 VanDerWaalsContact C-N 3.34Å; A133-D135 WeakPolarHBondContact CB-OD2 3.25Å
134	F	93.1	Very high	89.2	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.009	30%	0.296	C	S	.	.			trans	64.2	33.4	-173.8	-61.3	-80.9	0	0	0	114.2	Y129 L132 H309 Y310 E311 I957	Y129-F134 HydrophobicContact CD1-CE2 4.29Å; Y129-F134 AromaticContact CD1-CZ 3.64Å; Y129-F134 HydrophobicContact CD1-CZ 3.64Å; Y129-F134 HydrophobicContact CD2-CZ 4.13Å; Y129-F134 HydrophobicContact CE1-CE1 4.37Å; Y129-F134 AromaticContact CE1-CZ 3.87Å; Y129-F134 HydrophobicContact CE1-CZ 3.87Å; Y129-F134 HydrophobicContact CE2-CZ 4.32Å; Y129-F134 HydrophobicContact CG-CE2 4.45Å; Y129-F134 AromaticContact CG-CZ 3.79Å; Y129-F134 HydrophobicContact CG-CZ 3.79Å; L132-F134 HydrophobicContact CB-CD2 4.05Å; L132-F134 HydrophobicContact CB-CE1 4.4Å; L132-F134 HydrophobicContact CB-CE2 3.77Å; L132-F134 HydrophobicContact CB-CG 4.5Å; L132-F134 HydrophobicContact CB-CZ 3.96Å; L132-F134 HydrophobicContact CD1-CE1 4.12Å; L132-F134 HydrophobicContact CD1-CZ 4.04Å; F134-H309 AromaticContact CD1-CE1 3.52Å; F134-H309 AromaticContact CD1-NE2 3.48Å; F134-H309 WeakPolarHBondContact CD1-NE2 3.29Å; F134-H309 AromaticContact CE1-NE2 3.95Å; F134-Y310 PolarHBondContact O-OH 2.73Å; F134-E311 HydrophobicContact CD1-CB 4.47Å; F134-I957 HydrophobicContact CB-CG2 3.8Å; F134-I957 HydrophobicContact CD1-CG2 4.5Å; F134-I957 HydrophobicContact CD2-CG2 3.4Å; F134-I957 VanDerWaalsContact CD2-CG2 3.4Å; F134-I957 HydrophobicContact CE2-CG2 4.06Å; F134-I957 HydrophobicContact CG-CG2 3.66Å
135	D	87.2	Confident	88.9	Confident	86 Å²	86	48.9 Å²	48.9	46%	0.46	28%	0.284	S	S	.	.			trans	-94.3	129.3	176.7	-61.9	-41.1	0	0	0	111.9	A133 Q137	A133-D135 VanDerWaalsContact C-N 3.34Å; A133-D135 WeakPolarHBondContact CB-OD2 3.25Å; D135-Q137 HydrophobicContact CB-CG 4.05Å; D135-Q137 PolarHBondContact O-N 2.9Å; D135-Q137 VanDerWaalsContact O-N 3.15Å
136	D	88.2	Confident	88.7	Confident	34 Å²	34	50.9 Å²	50.9	18%	0.182	29%	0.292	C	S	.	.			trans	-88.6	65.9	176.5	-164.7	16.7	0	0	0	112	Q144 Y310 Q493	D136-Q144 WeakPolarHBondContact OD1-CG 3.49Å; D136-Y310 HydrophobicContact CB-CE2 3.96Å; D136-Q493 HydrophobicContact CB-CG 4.49Å; D136-Q493 WeakPolarHBondContact OD2-CG 3.5Å; D136-Q493 PolarHBondContact OD2-N 2.81Å
137	Q	85.8	Confident	88.6	Confident	123 Å²	123	53.7 Å²	53.7	58%	0.575	31%	0.313	S	S	*	.			trans	-95.8	135.2	-178.6	-62.8	-60.5	-31.8	0	0	112.4	D135 G139 T143	D135-Q137 HydrophobicContact CB-CG 4.05Å; D135-Q137 PolarHBondContact O-N 2.9Å; D135-Q137 VanDerWaalsContact O-N 3.15Å; Q137-G139 PolarHBondContact O-N 3.42Å; Q137-G139 VanDerWaalsContact O-N 3.14Å; Q137-T143 CarbonylContact C-O 3.47Å
138	P	83.2	Confident	88.5	Confident	102 Å²	102	50.2 Å²	50.2	66%	0.662	29%	0.294	S	S	*	.			trans	-53.7	115.2	170.7	-25	34	0	0	0	112.1	T143	P138-T143 CarbonylContact C-O 3.59Å; P138-T143 WeakPolarHBondContact CA-O 3.48Å; P138-T143 HydrophobicContact CG-CG2 4.34Å
139	G	83.1	Confident	88.3	Confident	29 Å²	29	58.4 Å²	58.4	30%	0.299	33%	0.332	S	S	.	.			trans	-118.5	-9	-176.2	0	0	0	0	0	116.1	Q137 T143 G145 F146 P147	Q137-G139 PolarHBondContact O-N 3.42Å; Q137-G139 VanDerWaalsContact O-N 3.14Å; G139-T143 PolarHBondContact N-O 2.93Å; G139-G145 CarbonylContact C-O 3.41Å; G139-G145 VanDerWaalsContact CA-O 3.25Å; G139-G145 WeakPolarHBondContact CA-O 3.36Å; G139-F146 CarbonylContact O-C 3.6Å; G139-F146 WeakPolarHBondContact O-CA 3.45Å; G139-P147 WeakPolarHBondContact O-CD 3.31Å
140	G	83.8	Confident	88.3	Confident	39 Å²	39	60.6 Å²	60.6	40%	0.402	34%	0.341	S	S	.	.	S	Bend	trans	-170.2	-144.1	-176.8	0	0	0	0	0	113.1	W142	G140-W142 PolarHBondContact O-N 2.79Å
141	V	79.8	Confident	88.4	Confident	65 Å²	65	64.1 Å²	64.1	39%	0.394	35%	0.353	S	S	.	.	S	Bend	trans	-70.7	-12.5	179.4	-58.2	0	0	0	0	113.5	P356 E357	V141-P356 HydrophobicContact CG2-CB 3.67Å; V141-P356 HydrophobicContact CG2-CG 3.86Å; V141-E357 HydrophobicContact CB-CG 3.53Å; V141-E357 HydrophobicContact CG1-CG 4.3Å; V141-E357 HydrophobicContact CG2-CG 3.57Å
142	W	81.4	Confident	88.1	Confident	33 Å²	33	62.9 Å²	62.9	13%	0.125	35%	0.348	C	S	.	.	S	Bend	trans	-131.5	157.9	163.2	79	106	0	0	0	110.5	G140 Q144 G145 I148 F345 P356	G140-W142 PolarHBondContact O-N 2.79Å; W142-Q144 PolarHBondContact O-N 2.86Å; W142-G145 PolarHBondContact O-N 2.92Å; W142-I148 HydrophobicContact CH2-CD1 3.77Å; W142-I148 HydrophobicContact CZ3-CD1 3.54Å; W142-I148 HydrophobicContact CZ3-CG1 4.28Å; W142-F345 HydrophobicContact CH2-CD1 4.43Å; W142-F345 AromaticContact CH2-CE1 3.95Å; W142-F345 HydrophobicContact CH2-CE1 3.95Å; W142-F345 HydrophobicContact CZ2-CD1 4.01Å; W142-F345 AromaticContact CZ2-CE1 3.99Å; W142-F345 HydrophobicContact CZ2-CE1 3.99Å; W142-F345 HydrophobicContact CZ3-CE1 4.31Å; W142-P356 WeakPolarHBondContact CB-O 3.48Å; W142-P356 HydrophobicContact CD2-CB 4.33Å; W142-P356 HydrophobicContact CE3-CB 3.4Å; W142-P356 VanDerWaalsContact CE3-CB 3.4Å; W142-P356 HydrophobicContact CH2-CB 4.28Å; W142-P356 HydrophobicContact CZ3-CB 3.39Å
143	T	80	Confident	87.9	Confident	80 Å²	80	66.9 Å²	66.9	49%	0.491	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-54.6	-172.7	-52.4	0	0	0	0	112.4	Q137 P138 G139 G145	Q137-T143 CarbonylContact C-O 3.47Å; P138-T143 CarbonylContact C-O 3.59Å; P138-T143 WeakPolarHBondContact CA-O 3.48Å; P138-T143 HydrophobicContact CG-CG2 4.34Å; G139-T143 PolarHBondContact N-O 2.93Å; T143-G145 PolarHBondContact O-N 2.77Å; T143-G145 VanDerWaalsContact O-N 3.13Å
144	Q	86.3	Confident	87.9	Confident	18 Å²	18	68.7 Å²	68.7	8%	0.084	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	14.9	-175.3	-66	156.9	-16.4	0	0	113.6	D136 W142 Y310 D491	D136-Q144 WeakPolarHBondContact OD1-CG 3.49Å; W142-Q144 PolarHBondContact O-N 2.86Å; Q144-Y310 HydrophobicContact CB-CD2 4.22Å; Q144-Y310 HydrophobicContact CB-CG 4.49Å; Q144-Y310 VanDerWaalsContact CD-CB 3.44Å; Q144-Y310 HydrophobicContact CG-CD2 3.72Å; Q144-Y310 HydrophobicContact CG-CE2 4.47Å; Q144-Y310 HydrophobicContact CG-CG 3.89Å; Q144-D491 PolarHBondContact NE2-O 3.31Å
145	G	87.3	Confident	88	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.37	C	S	.	.			trans	-95.1	-164.1	-172	0	0	0	0	0	115.2	G139 W142 T143 K314	G139-G145 CarbonylContact C-O 3.41Å; G139-G145 VanDerWaalsContact CA-O 3.25Å; G139-G145 WeakPolarHBondContact CA-O 3.36Å; W142-G145 PolarHBondContact O-N 2.92Å; T143-G145 PolarHBondContact O-N 2.77Å; T143-G145 VanDerWaalsContact O-N 3.13Å; G145-K314 WeakPolarHBondContact O-CE 3.11Å
146	F	91.4	Very high	88.2	Confident	44 Å²	44	72.2 Å²	72.2	19%	0.193	38%	0.379	C	S	.	.			trans	-145.4	165.3	169.9	52	-87.3	0	0	0	107.9	G139 I148 K314 A317 S318 L405	G139-F146 CarbonylContact O-C 3.6Å; G139-F146 WeakPolarHBondContact O-CA 3.45Å; F146-I148 HydrophobicContact CD2-CG1 4.3Å; F146-I148 HydrophobicContact CE2-CG1 4.09Å; F146-I148 PolarHBondContact O-N 2.73Å; F146-K314 HydrophobicContact CD1-CG 3.98Å; F146-K314 HydrophobicContact CE1-CG 4.41Å; F146-A317 HydrophobicContact CE1-CB 4.04Å; F146-A317 HydrophobicContact CZ-CB 4.17Å; F146-S318 VanDerWaalsContact CZ-CA 3.49Å; F146-L405 HydrophobicContact CE2-CD2 4.22Å; F146-L405 HydrophobicContact CZ-CD2 3.7Å
147	P	90.8	Very high	88.3	Confident	99 Å²	99	79.5 Å²	79.5	64%	0.643	41%	0.412	S	S	*	.			trans	-62.7	128.6	176.7	-21	35.7	0	0	0	110.3	G139	G139-P147 WeakPolarHBondContact O-CD 3.31Å
148	I	91.9	Very high	88.6	Confident	20 Å²	20	76.7 Å²	76.7	10%	0.103	40%	0.399	C	S	.	.			trans	-114.1	122	178.2	-61.8	175.8	0	0	0	108.9	W142 F146 P356 K401 T404 L405	W142-I148 HydrophobicContact CH2-CD1 3.77Å; W142-I148 HydrophobicContact CZ3-CD1 3.54Å; W142-I148 HydrophobicContact CZ3-CG1 4.28Å; F146-I148 HydrophobicContact CD2-CG1 4.3Å; F146-I148 HydrophobicContact CE2-CG1 4.09Å; F146-I148 PolarHBondContact O-N 2.73Å; I148-P356 HydrophobicContact CD1-CB 4.14Å; I148-P356 HydrophobicContact CD1-CG 4.22Å; I148-K401 HydrophobicContact CG2-CB 3.95Å; I148-K401 HydrophobicContact CG2-CG 4.05Å; I148-T404 HydrophobicContact CG2-CG2 4.43Å; I148-T404 WeakPolarHBondContact CG2-OG1 3.38Å; I148-L405 HydrophobicContact CD1-CD1 4.28Å; I148-L405 HydrophobicContact CD1-CD2 3.84Å; I148-L405 HydrophobicContact CD1-CG 4.36Å; I148-L405 HydrophobicContact CG1-CD2 4.38Å
149	E	91.5	Very high	89.2	Confident	176 Å²	176	74.5 Å²	74.5	82%	0.822	39%	0.385	S	S	*	.			trans	-124	147.9	174.7	-63.9	-177.7	179.3	0	0	110.1
150	Y	94.7	Very high	89.9	Confident	58 Å²	58	73.1 Å²	73.1	23%	0.227	37%	0.371	C	S	.	.			trans	-136.8	156	174.5	61.4	-94.4	0	0	0	110.2	M152 W155 D397 R400 K401	Y150-M152 HydrophobicContact CE2-SD 3.83Å; Y150-W155 HydrophobicContact CD2-CH2 4.45Å; Y150-W155 HydrophobicContact CD2-CZ3 4.01Å; Y150-W155 HydrophobicContact CG-CH2 4.34Å; Y150-W155 HydrophobicContact CG-CZ3 4.35Å; Y150-D397 VanDerWaalsContact CE1-OD1 3.25Å; Y150-D397 WeakPolarHBondContact CE1-OD1 3.09Å; Y150-D397 PolarHBondContact OH-OD1 2.6Å; Y150-R400 HydrophobicContact CD1-CB 3.86Å; Y150-R400 HydrophobicContact CD2-CB 4.02Å; Y150-R400 HydrophobicContact CD2-CG 4.47Å; Y150-R400 HydrophobicContact CE1-CB 3.79Å; Y150-R400 HydrophobicContact CE2-CB 3.96Å; Y150-R400 HydrophobicContact CE2-CG 4.26Å; Y150-R400 HydrophobicContact CG-CB 3.98Å; Y150-K401 HydrophobicContact CD1-CG 4.01Å; Y150-K401 HydrophobicContact CE1-CG 3.88Å
151	K	94.4	Very high	90.6	Very high	151 Å²	151	72.4 Å²	72.4	66%	0.657	36%	0.357	S	S	*	.			trans	-100.7	135.5	172.6	-56.5	-178.1	178.9	177.9	0	109.7	D153 Q154	K151-D153 WeakPolarHBondContact CB-OD1 3.45Å; K151-D153 PolarHBondContact O-N 3.34Å; K151-D153 VanDerWaalsContact O-N 3.13Å; K151-Q154 WeakPolarHBondContact O-CB 3.49Å; K151-Q154 PolarHBondContact O-N 2.81Å
152	M	89.3	Confident	91.5	Very high	97 Å²	97	69.3 Å²	69.3	48%	0.478	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.7	-179	-75.7	-65	-75.5	0	0	113.2	Y150 R449	Y150-M152 HydrophobicContact CE2-SD 3.83Å; M152-R449 VanDerWaalsContact C-NH1 3.27Å; M152-R449 PolarHBondContact O-NH1 3.47Å
153	D	90.7	Very high	92.3	Very high	96 Å²	96	67.9 Å²	67.9	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.4	177.1	66.3	-28.2	0	0	0	115.7	K151 W155 K156	K151-D153 WeakPolarHBondContact CB-OD1 3.45Å; K151-D153 PolarHBondContact O-N 3.34Å; K151-D153 VanDerWaalsContact O-N 3.13Å; D153-W155 PolarHBondContact O-N 2.81Å; D153-W155 VanDerWaalsContact O-N 3.11Å; D153-K156 WeakPolarHBondContact O-CB 3.37Å; D153-K156 PolarHBondContact O-N 3.22Å
154	Q	92.6	Very high	93.2	Very high	91 Å²	91	64.1 Å²	64.1	43%	0.425	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.9	179.4	-174.5	174	-18.4	0	0	113.5	K151	K151-Q154 WeakPolarHBondContact O-CB 3.49Å; K151-Q154 PolarHBondContact O-N 2.81Å
155	W	94.2	Very high	93.8	Very high	12 Å²	12	63.2 Å²	63.2	5%	0.045	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	27.1	179	-56.8	-76.4	0	0	0	113	Y150 D153 Q158 L160 R400 A403 T404 R449	Y150-W155 HydrophobicContact CD2-CH2 4.45Å; Y150-W155 HydrophobicContact CD2-CZ3 4.01Å; Y150-W155 HydrophobicContact CG-CH2 4.34Å; Y150-W155 HydrophobicContact CG-CZ3 4.35Å; D153-W155 PolarHBondContact O-N 2.81Å; D153-W155 VanDerWaalsContact O-N 3.11Å; W155-Q158 CarbonylContact C-O 3.51Å; W155-Q158 WeakPolarHBondContact CA-O 3.35Å; W155-Q158 WeakPolarHBondContact CB-O 3.18Å; W155-Q158 CarbonylContact O-C 3.57Å; W155-L160 HydrophobicContact CD2-CB 4.31Å; W155-L160 HydrophobicContact CG-CB 4.05Å; W155-L160 HydrophobicContact CZ2-CD1 4.5Å; W155-R400 HydrophobicContact CE3-CG 4.19Å; W155-R400 HydrophobicContact CH2-CB 3.69Å; W155-R400 HydrophobicContact CH2-CG 3.84Å; W155-R400 HydrophobicContact CZ3-CB 3.81Å; W155-R400 HydrophobicContact CZ3-CG 3.51Å; W155-A403 HydrophobicContact CH2-CB 4.49Å; W155-A403 HydrophobicContact CZ2-CB 3.73Å; W155-T404 HydrophobicContact CH2-CG2 4.49Å; W155-R449 HydrophobicContact CB-CB 4.32Å
156	K	91.3	Very high	94.3	Very high	149 Å²	149	63.2 Å²	63.2	65%	0.648	31%	0.306	S	S	*	.	S	Bend	trans	-66.3	-44.8	-179	-176.7	-175.2	176.8	-171.6	0	112.7	D153	D153-K156 WeakPolarHBondContact O-CB 3.37Å; D153-K156 PolarHBondContact O-N 3.22Å
157	E	90.2	Very high	94.7	Very high	187 Å²	187	61.2 Å²	61.2	87%	0.874	30%	0.297	S	S	*	.	S	Bend	trans	-83	-36.4	-178.2	-63.3	-177	171.9	0	0	111.7
158	Q	93	Very high	95	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	27%	0.267	S	S	.	.	S	Bend	trans	-130.2	104.7	180	-170.5	64.3	19	0	0	109.4	W155 R467	W155-Q158 CarbonylContact C-O 3.51Å; W155-Q158 WeakPolarHBondContact CA-O 3.35Å; W155-Q158 WeakPolarHBondContact CB-O 3.18Å; W155-Q158 CarbonylContact O-C 3.57Å; Q158-R467 VanDerWaalsContact NE2-NH2 3.14Å
159	P	95.9	Very high	95.3	Very high	56 Å²	56	55.8 Å²	55.8	36%	0.364	26%	0.263	S	S	.	.			trans	-55.9	145.9	178.3	-27.6	35.9	0	0	0	112.5	E161 R449	P159-E161 PolarHBondContact O-N 3.06Å; P159-R449 CarbonylContact C-O 3.59Å; P159-R449 WeakPolarHBondContact CA-O 3.43Å
160	L	97.9	Very high	95.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	123.8	173.1	-174.2	63.2	0	0	0	109.6	W155 V162 R400 A403 G410 V412 R449 M450 K451	W155-L160 HydrophobicContact CD2-CB 4.31Å; W155-L160 HydrophobicContact CG-CB 4.05Å; W155-L160 HydrophobicContact CZ2-CD1 4.5Å; L160-V162 HydrophobicContact CD2-CG2 4.25Å; L160-V162 HydrophobicContact CG-CG2 4.15Å; L160-R400 HydrophobicContact CD2-CG 4.21Å; L160-A403 HydrophobicContact CD1-CB 3.61Å; L160-A403 HydrophobicContact CD2-CB 4.06Å; L160-G410 WeakPolarHBondContact CD1-O 3.2Å; L160-V412 HydrophobicContact CD1-CG2 3.52Å; L160-V412 HydrophobicContact CD2-CG2 4.06Å; L160-V412 HydrophobicContact CG-CG2 4Å; L160-R449 PolarHBondContact N-O 2.72Å; L160-M450 HydrophobicContact CB-CB 4.49Å; L160-M450 HydrophobicContact CB-CG 4.16Å; L160-M450 HydrophobicContact CD2-CE 3.84Å; L160-M450 HydrophobicContact CD2-CG 4.5Å; L160-M450 HydrophobicContact CD2-SD 4.45Å; L160-M450 HydrophobicContact CG-CG 4.48Å; L160-M450 CarbonylContact O-C 3.57Å; L160-M450 WeakPolarHBondContact O-CA 3.47Å; L160-M450 WeakPolarHBondContact O-CG 3.23Å; L160-K451 PolarHBondContact O-N 2.84Å
161	E	98.4	Very high	95.6	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121	177.4	-162.4	164.9	-160.6	0	0	110.1	P159 F163 G410 L411 V412 K451 H453 R467	P159-E161 PolarHBondContact O-N 3.06Å; E161-F163 HydrophobicContact CB-CE2 3.93Å; E161-F163 HydrophobicContact CG-CD2 4.46Å; E161-F163 HydrophobicContact CG-CE2 3.59Å; E161-F163 HydrophobicContact CG-CZ 3.82Å; E161-G410 PolarHBondContact N-O 3.18Å; E161-L411 HydrophobicContact CB-CD2 3.88Å; E161-L411 WeakPolarHBondContact O-CA 3.33Å; E161-V412 PolarHBondContact O-N 3.12Å; E161-K451 CarbonylContact C-O 3.58Å; E161-K451 WeakPolarHBondContact CA-O 3.48Å; E161-K451 HydrophobicContact CG-CD 4.4Å; E161-K451 IonicContact OE1-NZ 2.88Å; E161-K451 PolarHBondContact OE1-NZ 3.16Å; E161-H453 IonicContact OE1-NE2 2.77Å; E161-R467 IonicContact OE2-CZ 3.77Å; E161-R467 IonicContact OE2-NH2 3.43Å; E161-R467 PolarHBondContact OE2-NH2 2.95Å
162	V	98.7	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.6	-173	-176.5	0	0	0	0	109.9	L160 I164 Y399 V412 I414 M450 K451 I452 H453	L160-V162 HydrophobicContact CD2-CG2 4.25Å; L160-V162 HydrophobicContact CG-CG2 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4.33Å; V162-Y399 HydrophobicContact CB-CD2 4.43Å; V162-Y399 HydrophobicContact CG1-CD1 4.44Å; V162-Y399 HydrophobicContact CG1-CD2 3.88Å; V162-Y399 HydrophobicContact CG1-CE1 4.4Å; V162-Y399 HydrophobicContact CG1-CE2 3.81Å; V162-Y399 HydrophobicContact CG1-CG 4.19Å; V162-Y399 HydrophobicContact CG2-CD2 3.97Å; V162-Y399 HydrophobicContact CG2-CG 4.24Å; V162-V412 WeakPolarHBondContact CA-O 3.29Å; V162-V412 HydrophobicContact CG2-CB 4.37Å; V162-I414 HydrophobicContact CG1-CG1 3.56Å; V162-M450 HydrophobicContact CG2-CG 3.88Å; V162-M450 HydrophobicContact CG2-SD 3.71Å; V162-K451 PolarHBondContact N-O 2.75Å; V162-I452 HydrophobicContact CB-CB 4.38Å; V162-I452 HydrophobicContact CB-CG1 4.06Å; V162-I452 HydrophobicContact CB-CG2 4.15Å; V162-I452 HydrophobicContact CG1-CG2 4.27Å; V162-I452 HydrophobicContact CG2-CG1 4.25Å; V162-H453 PolarHBondContact O-CD2 3.12Å; V162-H453 PolarHBondContact O-N 3.3Å
163	F	98.7	Very high	96.1	Very high	4 Å²	4	33 Å²	33	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	98.9	-177.1	-64.8	-106.2	0	0	0	108.3	E161 L411 V412 L413 I414 H453 S455 N459 Y460 A463	E161-F163 HydrophobicContact CB-CE2 3.93Å; E161-F163 HydrophobicContact CG-CD2 4.46Å; E161-F163 HydrophobicContact CG-CE2 3.59Å; E161-F163 HydrophobicContact CG-CZ 3.82Å; F163-L411 HydrophobicContact CE2-CD2 3.99Å; F163-V412 PolarHBondContact N-O 2.81Å; F163-L413 HydrophobicContact CB-CD1 4.28Å; F163-I414 PolarHBondContact O-N 2.95Å; F163-H453 AromaticContact CE1-NE2 3.81Å; F163-S455 WeakPolarHBondContact CD1-OG 3.29Å; F163-N459 HydrophobicContact CE1-CB 4.46Å; F163-Y460 HydrophobicContact CB-CD2 4.25Å; F163-Y460 HydrophobicContact CD1-CD2 4.47Å; F163-Y460 AromaticContact CD2-CD2 3.67Å; F163-Y460 HydrophobicContact CD2-CD2 3.67Å; F163-Y460 HydrophobicContact CD2-CE2 4.42Å; F163-Y460 HydrophobicContact CE2-CD2 4.17Å; F163-Y460 AromaticContact CG-CD2 3.88Å; F163-Y460 HydrophobicContact CG-CD2 3.88Å; F163-Y460 HydrophobicContact CG-CG 4.5Å; F163-A463 HydrophobicContact CE1-CB 4.01Å; F163-A463 HydrophobicContact CE2-CB 4.26Å; F163-A463 HydrophobicContact CZ-CB 3.4Å; F163-A463 VanDerWaalsContact CZ-CB 3.4Å
164	I	98.6	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.4	175.4	-58.1	176.8	0	0	0	107.8	V162 P166 I414 L416 Y435 I439 I452 H453 F454 S455	V162-I164 HydrophobicContact CG1-CG1 4.33Å; I164-P166 WeakPolarHBondContact O-CD 3.14Å; I164-I414 CarbonylContact C-O 3.5Å; I164-I414 WeakPolarHBondContact CA-O 3.33Å; I164-I414 HydrophobicContact CG1-CB 4.5Å; I164-L416 HydrophobicContact CG2-CB 3.91Å; I164-L416 HydrophobicContact CG2-CD2 3.88Å; I164-Y435 HydrophobicContact CD1-CD1 3.54Å; I164-Y435 HydrophobicContact CD1-CE1 3.75Å; I164-I439 HydrophobicContact CD1-CD1 4.32Å; I164-I452 HydrophobicContact CD1-CG2 3.41Å; I164-I452 VanDerWaalsContact CD1-CG2 3.41Å; I164-I452 HydrophobicContact CG1-CG2 3.95Å; I164-H453 PolarHBondContact N-O 3.1Å; I164-F454 HydrophobicContact CB-CD1 4.01Å; I164-F454 HydrophobicContact CB-CE1 4.37Å; I164-F454 HydrophobicContact CG2-CD1 3.74Å; I164-F454 HydrophobicContact CG2-CE1 3.75Å; I164-F454 CarbonylContact O-C 3.5Å; I164-F454 WeakPolarHBondContact O-CA 3.32Å; I164-S455 PolarHBondContact O-N 2.83Å
165	V	98.4	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	94	-173.5	-178.8	0	0	0	0	109.2	F167 V206 L413 I414 L416 L457	V165-F167 PolarHBondContact O-N 3.25Å; V165-V206 HydrophobicContact CG1-CB 3.92Å; V165-V206 HydrophobicContact CG1-CG2 3.4Å; V165-L413 HydrophobicContact CB-CD1 4.49Å; V165-L413 HydrophobicContact CG2-CD1 3.54Å; V165-I414 PolarHBondContact N-O 3.36Å; V165-L416 PolarHBondContact O-N 2.78Å; V165-L457 HydrophobicContact CG1-CD2 3.96Å; V165-L457 HydrophobicContact CG2-CD2 4.28Å
166	P	98.5	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	127.4	168.6	-24.5	36.1	0	0	0	110.3	I164 R204 F205 V206 L416 Y422 W428 F454	I164-P166 WeakPolarHBondContact O-CD 3.14Å; P166-R204 VanDerWaalsContact CB-O 3.26Å; P166-R204 WeakPolarHBondContact CB-O 3.46Å; P166-R204 VanDerWaalsContact CG-O 3.23Å; P166-R204 WeakPolarHBondContact CG-O 3.3Å; P166-F205 HydrophobicContact CB-CD2 4.23Å; P166-F205 CarbonylContact O-C 3.48Å; P166-F205 WeakPolarHBondContact O-CA 3.32Å; P166-V206 PolarHBondContact O-N 2.74Å; P166-L416 VanDerWaalsContact CA-O 3.26Å; P166-L416 WeakPolarHBondContact CA-O 3.13Å; P166-Y422 HydrophobicContact CB-CE1 4.45Å; P166-Y422 HydrophobicContact CB-CE2 4.11Å; P166-W428 HydrophobicContact CB-CH2 3.9Å; P166-W428 HydrophobicContact CB-CZ3 4.18Å; P166-W428 HydrophobicContact CG-CZ3 4.44Å; P166-F454 HydrophobicContact CG-CD1 3.8Å; P166-F454 HydrophobicContact CG-CE1 4.15Å
167	F	98.2	Very high	97	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-147.2	165.3	177	83.1	-76.4	0	0	0	111	V165 H169 V206 W280 I282 Y348 P415 L416 G417 Y422	V165-F167 PolarHBondContact O-N 3.25Å; F167-H169 HydrophobicContact CE2-CB 4.22Å; F167-V206 WeakPolarHBondContact CA-O 3.36Å; F167-V206 HydrophobicContact CB-CB 3.98Å; F167-V206 HydrophobicContact CB-CG1 4.28Å; F167-V206 WeakPolarHBondContact CB-O 3.35Å; F167-W280 HydrophobicContact CD2-CZ2 4.27Å; F167-W280 HydrophobicContact CE2-CZ2 4.32Å; F167-W280 HydrophobicContact CG-CZ2 4.38Å; F167-W280 HydrophobicContact CZ-CZ2 4.47Å; F167-I282 HydrophobicContact CE2-CD1 3.76Å; F167-I282 HydrophobicContact CZ-CD1 4.31Å; F167-Y348 HydrophobicContact CE2-CD2 4.27Å; F167-Y348 AromaticContact CZ-CD2 3.95Å; F167-Y348 HydrophobicContact CZ-CD2 3.95Å; F167-P415 HydrophobicContact CD1-CB 3.8Å; F167-P415 HydrophobicContact CE1-CB 3.38Å; F167-P415 HydrophobicContact CZ-CB 4.27Å; F167-L416 PolarHBondContact N-O 3.48Å; F167-L416 VanDerWaalsContact N-O 3.11Å; F167-G417 VanDerWaalsContact CE1-C 3.47Å; F167-G417 WeakPolarHBondContact O-CA 3.15Å; F167-Y422 WeakPolarHBondContact O-CD2 3.28Å; F167-Y422 VanDerWaalsContact O-CE2 3.28Å; F167-Y422 WeakPolarHBondContact O-CE2 3.43Å
168	S	97.8	Very high	97.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.079	C	C	.	.			trans	-139.5	126	171.2	-165	0	0	0	0	107.6	Q170 R421	S168-Q170 VanDerWaalsContact CB-NE2 3.31Å; S168-Q170 PolarHBondContact O-OE1 3.47Å; S168-Q170 PolarHBondContact OG-NE2 2.84Å; S168-R421 PolarHBondContact OG-N 2.88Å; S168-R421 PolarHBondContact OG-O 2.02Å
169	H	97.3	Very high	97.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-91.5	143.2	170.3	-179.4	57.9	0	0	0	108.7	F167 D171 D283 D418 D419 F420 H565	F167-H169 HydrophobicContact CE2-CB 4.22Å; H169-D171 IonicContact CD2-OD1 3.79Å; H169-D171 IonicContact CE1-OD1 3.93Å; H169-D171 IonicContact NE2-OD1 3.68Å; H169-D171 PolarHBondContact NE2-OD1 2.87Å; H169-D283 IonicContact CD2-OD2 3.4Å; H169-D283 IonicContact NE2-OD2 2.76Å; H169-D283 PolarHBondContact NE2-OD2 3.37Å; H169-D283 VanDerWaalsContact NE2-OD2 3.12Å; H169-D418 PolarHBondContact N-O 3.09Å; H169-D418 VanDerWaalsContact N-O 3.14Å; H169-D419 IonicContact CD2-OD1 2.88Å; H169-D419 PolarHBondContact CD2-OD1 3.28Å; H169-F420 PolarHBondContact O-N 2.76Å; H169-H565 AromaticContact CE1-NE2 3.93Å; H169-H565 AromaticContact NE2-NE2 3.51Å
170	Q	96	Very high	97.8	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	8%	0.083	C	C	.	.			trans	-137.9	127	178.7	-68.8	85.9	4.6	0	0	109.1	S168 P172 T186 Y207 F212 F420	S168-Q170 VanDerWaalsContact CB-NE2 3.31Å; S168-Q170 PolarHBondContact O-OE1 3.47Å; S168-Q170 PolarHBondContact OG-NE2 2.84Å; Q170-P172 WeakPolarHBondContact O-CD 3.36Å; Q170-T186 HydrophobicContact CG-CG2 4.05Å; Q170-Y207 VanDerWaalsContact CD-CE2 3.41Å; Q170-Y207 VanDerWaalsContact NE2-CE2 3.31Å; Q170-Y207 PolarHBondContact OE1-OH 3.12Å; Q170-F212 HydrophobicContact CB-CD2 3.88Å; Q170-F212 HydrophobicContact CB-CE2 3.55Å; Q170-F212 HydrophobicContact CB-CZ 4.39Å; Q170-F212 HydrophobicContact CG-CE2 4.5Å; Q170-F420 HydrophobicContact CB-CD1 4.35Å; Q170-F420 HydrophobicContact CB-CE1 3.92Å; Q170-F420 HydrophobicContact CG-CD1 3.89Å; Q170-F420 HydrophobicContact CG-CE1 3.96Å
171	D	97	Very high	97.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.085	C	C	.	.			trans	-88	118.8	172.4	-51	-60.6	0	0	0	109.1	H169 G173 W174 Y181 F420 H564 H565	H169-D171 IonicContact CD2-OD1 3.79Å; H169-D171 IonicContact CE1-OD1 3.93Å; H169-D171 IonicContact NE2-OD1 3.68Å; H169-D171 PolarHBondContact NE2-OD1 2.87Å; D171-G173 PolarHBondContact O-N 3.26Å; D171-W174 HydrophobicContact CB-CB 3.71Å; D171-Y181 WeakPolarHBondContact O-CD2 3.19Å; D171-F420 HydrophobicContact CB-CZ 4.27Å; D171-H564 IonicContact OD1-CE1 2.82Å; D171-H564 PolarHBondContact OD1-CE1 3.03Å; D171-H564 IonicContact OD1-NE2 3.82Å; D171-H564 PolarHBondContact OD1-NE2 3.22Å; D171-H565 IonicContact OD1-CE1 2.9Å; D171-H565 IonicContact OD1-NE2 3.59Å; D171-H565 PolarHBondContact OD1-NE2 2.88Å
172	P	97	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-76.5	45.3	178.6	34.1	-33	0	0	0	111.4	Q170 L178 E209 F212 V245 L561 H564 Y580	Q170-P172 WeakPolarHBondContact O-CD 3.36Å; P172-L178 HydrophobicContact CB-CD1 3.55Å; P172-E209 VanDerWaalsContact CD-OE2 3.31Å; P172-E209 WeakPolarHBondContact CD-OE2 2.97Å; P172-E209 WeakPolarHBondContact CG-OE2 3.42Å; P172-F212 HydrophobicContact CB-CD2 4.4Å; P172-F212 HydrophobicContact CB-CE2 3.76Å; P172-F212 HydrophobicContact CB-CZ 4.13Å; P172-V245 HydrophobicContact CG-CB 4.29Å; P172-V245 HydrophobicContact CG-CG1 3.66Å; P172-L561 HydrophobicContact CB-CD1 3.69Å; P172-L561 HydrophobicContact CG-CD1 4.02Å; P172-H564 WeakPolarHBondContact CD-CD2 3.16Å; P172-H564 WeakPolarHBondContact CD-NE2 3.33Å; P172-H564 HydrophobicContact CG-CB 4.11Å; P172-Y580 VanDerWaalsContact C-OH 3.3Å; P172-Y580 PolarHBondContact O-OH 3.29Å
173	G	97	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	128.5	110.1	-176.8	0	0	0	0	0	111.9	D171 K176 Y580	D171-G173 PolarHBondContact O-N 3.26Å; G173-K176 VanDerWaalsContact CA-O 3.27Å; G173-K176 WeakPolarHBondContact CA-O 3.43Å; G173-Y580 WeakPolarHBondContact CA-OH 3.45Å; G173-Y580 PolarHBondContact N-OH 2.71Å; G173-Y580 PolarHBondContact O-OH 3.27Å
174	W	96.2	Very high	97.7	Very high	42 Å²	42	25.3 Å²	25.3	16%	0.159	13%	0.128	C	C	.	.	S	Bend	trans	-151.4	-80.5	179	171.7	45.7	0	0	0	109.4	D171 K176 Y181 F420 T571 A572 R573 Y854	D171-W174 HydrophobicContact CB-CB 3.71Å; W174-K176 PolarHBondContact N-O 2.87Å; W174-Y181 HydrophobicContact CB-CE2 4.21Å; W174-F420 HydrophobicContact CE3-CE2 4.24Å; W174-F420 HydrophobicContact CZ3-CE2 4.47Å; W174-T571 VanDerWaalsContact CD1-O 3.3Å; W174-A572 WeakPolarHBondContact O-CA 3.39Å; W174-A572 WeakPolarHBondContact O-CB 3.48Å; W174-R573 PolarHBondContact O-N 2Å; W174-Y854 PolarHBondContact NE1-OH 2.74Å
175	I	97	Very high	97.6	Very high	33 Å²	33	27.4 Å²	27.4	17%	0.169	14%	0.138	C	C	.	.	S	Bend	trans	-87.4	-34	171.3	-52.3	-54.4	0	0	0	111.6	Y181 R573 G1024	I175-Y181 VanDerWaalsContact CB-OH 3.22Å; I175-Y181 WeakPolarHBondContact CB-OH 3.3Å; I175-Y181 PolarHBondContact N-OH 3.13Å; I175-R573 HydrophobicContact CD1-CG 4.3Å; I175-G1024 VanDerWaalsContact CD1-O 3.27Å; I175-G1024 WeakPolarHBondContact CD1-O 3.47Å
176	K	97.8	Very high	97.6	Very high	46 Å²	46	27.4 Å²	27.4	20%	0.2	14%	0.138	C	C	.	.	S	Bend	trans	-120.4	161	178.2	-55.9	172	-179.1	177.2	0	108.4	G173 W174 K180 Y181 T184 E185 V576	G173-K176 VanDerWaalsContact CA-O 3.27Å; G173-K176 WeakPolarHBondContact CA-O 3.43Å; W174-K176 PolarHBondContact N-O 2.87Å; K176-K180 HydrophobicContact CB-CB 4.06Å; K176-K180 HydrophobicContact CB-CD 4.09Å; K176-K180 HydrophobicContact CB-CG 4.12Å; K176-K180 HydrophobicContact CD-CD 4.18Å; K176-K180 HydrophobicContact CD-CG 4.12Å; K176-K180 HydrophobicContact CG-CD 4.08Å; K176-K180 HydrophobicContact CG-CG 4.37Å; K176-Y181 HydrophobicContact CB-CD1 4.07Å; K176-Y181 HydrophobicContact CB-CD2 3.69Å; K176-Y181 HydrophobicContact CB-CE1 4.06Å; K176-Y181 HydrophobicContact CB-CE2 3.67Å; K176-Y181 HydrophobicContact CB-CG 3.89Å; K176-Y181 HydrophobicContact CD-CD1 3.86Å; K176-Y181 HydrophobicContact CD-CE1 3.83Å; K176-Y181 HydrophobicContact CD-CG 4.43Å; K176-Y181 HydrophobicContact CG-CD1 4.37Å; K176-Y181 HydrophobicContact CG-CE1 4.09Å; K176-Y181 HydrophobicContact CG-CE2 4.44Å; K176-Y181 VanDerWaalsContact N-CE2 3.27Å; K176-Y181 WeakPolarHBondContact O-CD2 3.3Å; K176-Y181 WeakPolarHBondContact O-CE2 3.4Å; K176-T184 PolarHBondContact NZ-OG1 2.89Å; K176-E185 IonicContact NZ-OE1 3.68Å; K176-E185 PolarHBondContact NZ-OE1 3.45Å; K176-V576 VanDerWaalsContact C-CG2 3.48Å; K176-V576 WeakPolarHBondContact O-CG2 3.49Å
177	T	98.3	Very high	97.6	Very high	34 Å²	34	30.4 Å²	30.4	21%	0.209	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-69.5	163.4	172.1	68	0	0	0	0	110.7	E179 K180 Y181 V576 D579	T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 PolarHBondContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-OE2 2.77Å; T177-K180 PolarHBondContact O-N 3.16Å; T177-K180 VanDerWaalsContact O-N 3.11Å; T177-K180 PolarHBondContact OG1-N 2.84Å; T177-Y181 PolarHBondContact O-N 3.41Å; T177-V576 HydrophobicContact CG2-CG2 4.42Å; T177-D579 HydrophobicContact CG2-CB 3.83Å
178	L	98.2	Very high	97.6	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-45.1	-53.2	173.2	172.4	71.9	0	0	0	111.6	P172 K180 Y181 F182 F212 L215 L561	P172-L178 HydrophobicContact CB-CD1 3.55Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.82Å; L178-Y181 PolarHBondContact O-N 3.16Å; L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 3.2Å; L178-F212 HydrophobicContact CD1-CD1 3.84Å; L178-F212 HydrophobicContact CD1-CE1 3.54Å; L178-F212 HydrophobicContact CD1-CE2 4.24Å; L178-F212 HydrophobicContact CD1-CG 4.33Å; L178-F212 HydrophobicContact CD1-CZ 3.77Å; L178-F212 HydrophobicContact CG-CE1 4.47Å; L178-F212 WeakPolarHBondContact O-CE1 3.24Å; L178-L215 HydrophobicContact CD1-CD1 4.22Å; L178-L215 HydrophobicContact CD2-CD1 4.13Å; L178-L215 HydrophobicContact CG-CD1 3.91Å; L178-L561 HydrophobicContact CD1-CD1 4.49Å; L178-L561 HydrophobicContact CD2-CD1 4.3Å; L178-L561 HydrophobicContact CD2-CD2 4.17Å
179	E	98.2	Very high	97.6	Very high	80 Å²	80	32.2 Å²	32.2	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-67	-35.4	-175.3	-60.1	81.6	178.9	0	0	112	T177 V183 K583	T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 PolarHBondContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-OE2 2.77Å; E179-V183 WeakPolarHBondContact O-CG2 3.44Å; E179-V183 PolarHBondContact O-N 3.22Å; E179-K583 VanDerWaalsContact OE1-CE 3.23Å; E179-K583 WeakPolarHBondContact OE1-CE 3.48Å; E179-K583 IonicContact OE1-NZ 2.99Å; E179-K583 PolarHBondContact OE1-NZ 3.06Å; E179-K583 IonicContact OE2-NZ 3.38Å; E179-K583 PolarHBondContact OE2-NZ 3.3Å
180	K	98.2	Very high	97.7	Very high	87 Å²	87	32.1 Å²	32.1	38%	0.378	16%	0.162	S	C	.	.	H	α-helix	trans	-73.6	-40.6	178.2	-172.9	178.2	-178.4	175.8	0	111.3	E29 K176 T177 L178 F182 V183 T184	E29-K180 IonicContact OE1-NZ 3.31Å; E29-K180 PolarHBondContact OE1-NZ 3.28Å; K176-K180 HydrophobicContact CB-CB 4.06Å; K176-K180 HydrophobicContact CB-CD 4.09Å; K176-K180 HydrophobicContact CB-CG 4.12Å; K176-K180 HydrophobicContact CD-CD 4.18Å; K176-K180 HydrophobicContact CD-CG 4.12Å; K176-K180 HydrophobicContact CG-CD 4.08Å; K176-K180 HydrophobicContact CG-CG 4.37Å; T177-K180 PolarHBondContact O-N 3.16Å; T177-K180 VanDerWaalsContact O-N 3.11Å; T177-K180 PolarHBondContact OG1-N 2.84Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.82Å; K180-F182 VanDerWaalsContact C-N 3.32Å; K180-V183 PolarHBondContact O-N 3.3Å; K180-T184 HydrophobicContact CG-CG2 4.4Å; K180-T184 WeakPolarHBondContact O-CB 3.46Å; K180-T184 WeakPolarHBondContact O-CG2 3.27Å; K180-T184 PolarHBondContact O-N 3.13Å; K180-T184 PolarHBondContact O-OG1 2.95Å
181	Y	98.3	Very high	97.8	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-42.1	171.9	-86.6	-57.1	0	0	0	111.8	D171 W174 I175 K176 T177 L178 V183 T184 E185 T186 F420	D171-Y181 WeakPolarHBondContact O-CD2 3.19Å; W174-Y181 HydrophobicContact CB-CE2 4.21Å; I175-Y181 VanDerWaalsContact CB-OH 3.22Å; I175-Y181 WeakPolarHBondContact CB-OH 3.3Å; I175-Y181 PolarHBondContact N-OH 3.13Å; K176-Y181 HydrophobicContact CB-CD1 4.07Å; K176-Y181 HydrophobicContact CB-CD2 3.69Å; K176-Y181 HydrophobicContact CB-CE1 4.06Å; K176-Y181 HydrophobicContact CB-CE2 3.67Å; K176-Y181 HydrophobicContact CB-CG 3.89Å; K176-Y181 HydrophobicContact CD-CD1 3.86Å; K176-Y181 HydrophobicContact CD-CE1 3.83Å; K176-Y181 HydrophobicContact CD-CG 4.43Å; K176-Y181 HydrophobicContact CG-CD1 4.37Å; K176-Y181 HydrophobicContact CG-CE1 4.09Å; K176-Y181 HydrophobicContact CG-CE2 4.44Å; K176-Y181 VanDerWaalsContact N-CE2 3.27Å; K176-Y181 WeakPolarHBondContact O-CD2 3.3Å; K176-Y181 WeakPolarHBondContact O-CE2 3.4Å; T177-Y181 PolarHBondContact O-N 3.41Å; L178-Y181 PolarHBondContact O-N 3.16Å; Y181-V183 VanDerWaalsContact C-N 3.34Å; Y181-V183 PolarHBondContact O-N 3.11Å; Y181-T184 PolarHBondContact O-N 3.21Å; Y181-E185 HydrophobicContact CD1-CB 4.35Å; Y181-E185 HydrophobicContact CD1-CG 3.86Å; Y181-E185 HydrophobicContact CE1-CG 4.36Å; Y181-E185 PolarHBondContact O-N 2.99Å; Y181-T186 PolarHBondContact O-N 3.42Å; Y181-F420 HydrophobicContact CD1-CD1 4.06Å; Y181-F420 AromaticContact CD1-CE1 3.36Å; Y181-F420 HydrophobicContact CD1-CE1 3.36Å; Y181-F420 HydrophobicContact CD1-CE2 4.29Å; Y181-F420 AromaticContact CD1-CZ 3.51Å; Y181-F420 HydrophobicContact CD1-CZ 3.51Å; Y181-F420 HydrophobicContact CD2-CE1 4.49Å; Y181-F420 HydrophobicContact CD2-CZ 4.24Å; Y181-F420 HydrophobicContact CE1-CD1 4.31Å; Y181-F420 HydrophobicContact CE1-CD2 4.33Å; Y181-F420 AromaticContact CE1-CE1 3.64Å; Y181-F420 HydrophobicContact CE1-CE1 3.64Å; Y181-F420 AromaticContact CE1-CE2 3.69Å; Y181-F420 HydrophobicContact CE1-CE2 3.69Å; Y181-F420 AromaticContact CE1-CZ 3.29Å; Y181-F420 HydrophobicContact CE1-CZ 3.29Å; Y181-F420 HydrophobicContact CE2-CZ 4.05Å; Y181-F420 AromaticContact CG-CE1 3.84Å; Y181-F420 HydrophobicContact CG-CE1 3.84Å; Y181-F420 AromaticContact CG-CZ 3.99Å; Y181-F420 HydrophobicContact CG-CZ 3.99Å; Y181-F420 AromaticContact CZ-CE2 3.96Å; Y181-F420 AromaticContact CZ-CZ 3.57Å
182	F	98.4	Very high	97.9	Very high	23 Å²	23	34.1 Å²	34.1	10%	0.101	17%	0.174	C	C	.	.	I	π-helix	trans	-54.4	-51.1	177.5	173.5	-111	0	0	0	111.6	L178 K180 K187 F212 L215 W216 T219	L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 3.2Å; K180-F182 VanDerWaalsContact C-N 3.32Å; F182-K187 HydrophobicContact CD2-CB 4.26Å; F182-K187 HydrophobicContact CE1-CD 4.45Å; F182-K187 HydrophobicContact CE2-CB 3.89Å; F182-K187 HydrophobicContact CE2-CG 4.49Å; F182-K187 HydrophobicContact CZ-CB 4.09Å; F182-K187 HydrophobicContact CZ-CD 4.13Å; F182-K187 HydrophobicContact CZ-CG 4.36Å; F182-K187 WeakPolarHBondContact O-CB 3.42Å; F182-K187 PolarHBondContact O-N 3.45Å; F182-F212 HydrophobicContact CB-CD1 4Å; F182-F212 HydrophobicContact CB-CE1 3.96Å; F182-F212 HydrophobicContact CD2-CD1 4.22Å; F182-L215 HydrophobicContact CB-CD1 3.84Å; F182-L215 HydrophobicContact CD1-CB 4.13Å; F182-L215 HydrophobicContact CD1-CD1 4.28Å; F182-L215 HydrophobicContact CD2-CB 3.74Å; F182-L215 HydrophobicContact CD2-CD1 4.24Å; F182-L215 HydrophobicContact CE1-CB 4.11Å; F182-L215 HydrophobicContact CE2-CB 3.73Å; F182-L215 HydrophobicContact CG-CB 3.94Å; F182-L215 HydrophobicContact CG-CD1 3.84Å; F182-L215 HydrophobicContact CZ-CB 3.91Å; F182-W216 HydrophobicContact CE2-CB 3.84Å; F182-W216 HydrophobicContact CZ-CB 4.45Å; F182-T219 HydrophobicContact CE1-CG2 4.3Å; F182-T219 HydrophobicContact CZ-CG2 3.88Å
183	V	98.2	Very high	97.9	Very high	99 Å²	99	34.1 Å²	34.1	60%	0.6	17%	0.174	S	C	*	.	I	π-helix	trans	-69.8	-41.5	-178.2	175.8	0	0	0	0	112.3	E179 K180 Y181	E179-V183 WeakPolarHBondContact O-CG2 3.44Å; E179-V183 PolarHBondContact O-N 3.22Å; K180-V183 PolarHBondContact O-N 3.3Å; Y181-V183 VanDerWaalsContact C-N 3.34Å; Y181-V183 PolarHBondContact O-N 3.11Å
184	T	97.7	Very high	98	Very high	54 Å²	54	34.2 Å²	34.2	33%	0.331	17%	0.174	S	C	.	.	I	π-helix	trans	-89.1	-31.3	-169	56.8	0	0	0	0	114.3	K176 K180 Y181	K176-T184 PolarHBondContact NZ-OG1 2.89Å; K180-T184 HydrophobicContact CG-CG2 4.4Å; K180-T184 WeakPolarHBondContact O-CB 3.46Å; K180-T184 WeakPolarHBondContact O-CG2 3.27Å; K180-T184 PolarHBondContact O-N 3.13Å; K180-T184 PolarHBondContact O-OG1 2.95Å; Y181-T184 PolarHBondContact O-N 3.21Å
185	E	96.7	Very high	98.1	Very high	45 Å²	45	35.6 Å²	35.6	21%	0.21	19%	0.185	C	C	.	.	I	π-helix	trans	-129.7	-46.5	-168.9	-49.5	-61.9	173.4	0	0	113	K176 Y181 N189 F420 Q423	K176-E185 IonicContact NZ-OE1 3.68Å; K176-E185 PolarHBondContact NZ-OE1 3.45Å; Y181-E185 HydrophobicContact CD1-CB 4.35Å; Y181-E185 HydrophobicContact CD1-CG 3.86Å; Y181-E185 HydrophobicContact CE1-CG 4.36Å; Y181-E185 PolarHBondContact O-N 2.99Å; E185-N189 PolarHBondContact O-N 3.02Å; E185-F420 HydrophobicContact CB-CB 4.24Å; E185-F420 HydrophobicContact CB-CD1 3.63Å; E185-F420 HydrophobicContact CB-CE1 4.39Å; E185-F420 HydrophobicContact CB-CG 4.19Å; E185-F420 HydrophobicContact CG-CD1 4.21Å; E185-Q423 VanDerWaalsContact CB-NE2 3.28Å; E185-Q423 PolarHBondContact OE2-NE2 2.9Å; E185-Q423 PolarHBondContact OE2-OE1 2.82Å
186	T	97.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-79.9	-44.8	-171.3	-46.6	0	0	0	0	113.2	Q170 Y181 N189 L190 Y207 F212	Q170-T186 HydrophobicContact CG-CG2 4.05Å; Y181-T186 PolarHBondContact O-N 3.42Å; T186-N189 WeakPolarHBondContact O-CB 3.25Å; T186-N189 PolarHBondContact O-N 2.83Å; T186-N189 VanDerWaalsContact O-N 3.16Å; T186-L190 HydrophobicContact CG2-CD1 3.92Å; T186-L190 HydrophobicContact CG2-CG 4.21Å; T186-L190 WeakPolarHBondContact O-CG 2.86Å; T186-L190 PolarHBondContact O-N 2.69Å; T186-Y207 VanDerWaalsContact CG2-OH 3.28Å; T186-Y207 WeakPolarHBondContact CG2-OH 3.33Å; T186-F212 HydrophobicContact CG2-CB 3.79Å; T186-F212 HydrophobicContact CG2-CD1 3.87Å; T186-F212 HydrophobicContact CG2-CD2 4.23Å; T186-F212 HydrophobicContact CG2-CE1 4.46Å; T186-F212 HydrophobicContact CG2-CG 3.72Å
187	K	98.1	Very high	98.2	Very high	62 Å²	62	32 Å²	32	27%	0.27	17%	0.168	S	C	.	.	H	α-helix	trans	-60.7	-47.3	177.2	180	-178.6	-169.7	-57.2	0	112	F182 N189 L190 D191	F182-K187 HydrophobicContact CD2-CB 4.26Å; F182-K187 HydrophobicContact CE1-CD 4.45Å; F182-K187 HydrophobicContact CE2-CB 3.89Å; F182-K187 HydrophobicContact CE2-CG 4.49Å; F182-K187 HydrophobicContact CZ-CB 4.09Å; F182-K187 HydrophobicContact CZ-CD 4.13Å; F182-K187 HydrophobicContact CZ-CG 4.36Å; F182-K187 WeakPolarHBondContact O-CB 3.42Å; F182-K187 PolarHBondContact O-N 3.45Å; K187-N189 PolarHBondContact O-N 3.09Å; K187-L190 PolarHBondContact O-N 3.32Å; K187-D191 IonicContact NZ-OD1 3.22Å; K187-D191 IonicContact NZ-OD2 2.62Å; K187-D191 PolarHBondContact NZ-OD2 2.71Å; K187-D191 WeakPolarHBondContact O-CB 3.44Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 2.94Å
188	P	98.3	Very high	98.2	Very high	43 Å²	43	33.5 Å²	33.5	28%	0.279	18%	0.175	S	C	.	.	H	α-helix	trans	-55.7	-38.7	173.1	-26.7	35.5	0	0	0	113.3	A192 Q423	P188-A192 VanDerWaalsContact O-CB 3.23Å; P188-A192 WeakPolarHBondContact O-CB 2.94Å; P188-A192 PolarHBondContact O-N 3.33Å; P188-Q423 CarbonylContact C-O 3.51Å; P188-Q423 HydrophobicContact CB-CB 4.47Å; P188-Q423 VanDerWaalsContact CB-O 3.26Å; P188-Q423 WeakPolarHBondContact CB-O 3.31Å
189	N	98.1	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-53.7	174.1	159.6	-88	0	0	0	112.6	E185 T186 K187 D191 A192 T193 R421 Y422	E185-N189 PolarHBondContact O-N 3.02Å; T186-N189 WeakPolarHBondContact O-CB 3.25Å; T186-N189 PolarHBondContact O-N 2.83Å; T186-N189 VanDerWaalsContact O-N 3.16Å; K187-N189 PolarHBondContact O-N 3.09Å; N189-D191 PolarHBondContact O-N 2.86Å; N189-A192 PolarHBondContact O-N 3.26Å; N189-T193 VanDerWaalsContact O-CB 3.24Å; N189-T193 WeakPolarHBondContact O-CB 3.19Å; N189-T193 PolarHBondContact O-N 3.46Å; N189-T193 PolarHBondContact O-OG1 3.29Å; N189-R421 PolarHBondContact ND2-O 2.94Å; N189-Y422 VanDerWaalsContact CA-O 3.3Å; N189-Y422 WeakPolarHBondContact CA-O 3.47Å; N189-Y422 WeakPolarHBondContact ND2-CB 3.33Å; N189-Y422 PolarHBondContact ND2-O 3.17Å
190	L	98.6	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-38.8	-174.4	-64.9	174.6	0	0	0	111.5	T186 K187 T193 L194 Y207 L213 W216 W237	T186-L190 HydrophobicContact CG2-CD1 3.92Å; T186-L190 HydrophobicContact CG2-CG 4.21Å; T186-L190 WeakPolarHBondContact O-CG 2.86Å; T186-L190 PolarHBondContact O-N 2.69Å; K187-L190 PolarHBondContact O-N 3.32Å; L190-T193 PolarHBondContact O-N 2.94Å; L190-L194 WeakPolarHBondContact O-CB 3.08Å; L190-L194 PolarHBondContact O-N 2.79Å; L190-Y207 HydrophobicContact CD2-CD2 4.03Å; L190-Y207 HydrophobicContact CD2-CE1 4.47Å; L190-Y207 HydrophobicContact CD2-CE2 3.65Å; L190-L213 HydrophobicContact CD1-CD2 4.2Å; L190-L213 HydrophobicContact CD2-CD2 4.32Å; L190-W216 HydrophobicContact CB-CD2 3.73Å; L190-W216 VanDerWaalsContact CB-CE2 3.43Å; L190-W216 HydrophobicContact CB-CE3 4.32Å; L190-W216 HydrophobicContact CB-CG 4.04Å; L190-W216 HydrophobicContact CB-CH2 4.36Å; L190-W216 HydrophobicContact CB-CZ2 3.78Å; L190-W216 HydrophobicContact CD1-CB 3.65Å; L190-W216 HydrophobicContact CD1-CD2 3.67Å; L190-W216 HydrophobicContact CD1-CE3 4.04Å; L190-W216 HydrophobicContact CD1-CG 3.49Å; L190-W216 VanDerWaalsContact CD1-CG 3.49Å; L190-W216 HydrophobicContact CG-CD2 4.3Å; L190-W216 HydrophobicContact CG-CG 4.42Å; L190-W237 HydrophobicContact CB-CH2 4.49Å; L190-W237 HydrophobicContact CD2-CH2 3.83Å; L190-W237 HydrophobicContact CD2-CZ2 3.53Å
191	D	98.4	Very high	97.8	Very high	39 Å²	39	41 Å²	41	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-47.8	175.8	-69.9	-10.1	0	0	0	111.8	K187 N189 T193 L194 N195 W216	K187-D191 IonicContact NZ-OD1 3.22Å; K187-D191 IonicContact NZ-OD2 2.62Å; K187-D191 PolarHBondContact NZ-OD2 2.71Å; K187-D191 WeakPolarHBondContact O-CB 3.44Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 2.94Å; N189-D191 PolarHBondContact O-N 2.86Å; D191-T193 VanDerWaalsContact C-N 3.32Å; D191-T193 PolarHBondContact O-N 2.87Å; D191-L194 PolarHBondContact O-N 2.9Å; D191-N195 VanDerWaalsContact O-CG 3.3Å; D191-N195 PolarHBondContact O-N 2.82Å; D191-N195 VanDerWaalsContact O-N 3.15Å; D191-N195 PolarHBondContact O-ND2 3.04Å; D191-W216 PolarHBondContact OD1-NE1 3.22Å
192	A	98.5	Very high	97.5	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-41.2	178.3	0	0	0	0	0	111.7	P188 N189 N195 I196	P188-A192 VanDerWaalsContact O-CB 3.23Å; P188-A192 WeakPolarHBondContact O-CB 2.94Å; P188-A192 PolarHBondContact O-N 3.33Å; N189-A192 PolarHBondContact O-N 3.26Å; A192-N195 PolarHBondContact O-N 2.85Å; A192-I196 WeakPolarHBondContact O-CG1 3.27Å; A192-I196 PolarHBondContact O-N 3Å
193	T	98.6	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-46.9	177.2	-60.3	0	0	0	0	111.2	N189 L190 D191 N195 I196 L197 F205 W237 W428	N189-T193 VanDerWaalsContact O-CB 3.24Å; N189-T193 WeakPolarHBondContact O-CB 3.19Å; N189-T193 PolarHBondContact O-N 3.46Å; N189-T193 PolarHBondContact O-OG1 3.29Å; L190-T193 PolarHBondContact O-N 2.94Å; D191-T193 VanDerWaalsContact C-N 3.32Å; D191-T193 PolarHBondContact O-N 2.87Å; T193-N195 VanDerWaalsContact C-N 3.27Å; T193-N195 PolarHBondContact O-N 2.77Å; T193-I196 PolarHBondContact O-N 2.84Å; T193-L197 HydrophobicContact CG2-CD1 3.83Å; T193-L197 HydrophobicContact CG2-CD2 4.19Å; T193-L197 WeakPolarHBondContact O-CB 3.42Å; T193-L197 WeakPolarHBondContact O-CD1 3.22Å; T193-L197 PolarHBondContact O-N 3.24Å; T193-F205 HydrophobicContact CG2-CB 3.92Å; T193-F205 HydrophobicContact CG2-CD1 3.46Å; T193-F205 VanDerWaalsContact CG2-CD1 3.46Å; T193-F205 HydrophobicContact CG2-CD2 4.3Å; T193-F205 HydrophobicContact CG2-CE1 3.94Å; T193-F205 HydrophobicContact CG2-CG 3.65Å; T193-W237 HydrophobicContact CG2-CD2 4.26Å; T193-W237 HydrophobicContact CG2-CE3 3.96Å; T193-W237 HydrophobicContact CG2-CH2 3.59Å; T193-W237 HydrophobicContact CG2-CZ2 3.88Å; T193-W237 HydrophobicContact CG2-CZ3 3.64Å; T193-W428 HydrophobicContact CG2-CZ2 3.87Å; T193-W428 PolarHBondContact OG1-NE1 3.34Å
194	L	98.5	Very high	97.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-41.1	177.4	-178.6	62	0	0	0	111.7	L190 D191 N198 W216 Q224 F228 L231 W237	L190-L194 WeakPolarHBondContact O-CB 3.08Å; L190-L194 PolarHBondContact O-N 2.79Å; D191-L194 PolarHBondContact O-N 2.9Å; L194-N198 PolarHBondContact O-N 3.49Å; L194-N198 PolarHBondContact O-ND2 3.07Å; L194-W216 HydrophobicContact CB-CH2 4.29Å; L194-W216 HydrophobicContact CB-CZ2 4.22Å; L194-W216 HydrophobicContact CD2-CH2 4.1Å; L194-W216 HydrophobicContact CD2-CZ2 4.03Å; L194-Q224 HydrophobicContact CD2-CB 3.9Å; L194-Q224 HydrophobicContact CD2-CG 4.09Å; L194-F228 HydrophobicContact CD1-CB 4.09Å; L194-L231 HydrophobicContact CD1-CD1 3.8Å; L194-W237 HydrophobicContact CB-CZ3 4.18Å; L194-W237 HydrophobicContact CD1-CZ3 4.49Å
195	N	98.1	Very high	97.5	Very high	71 Å²	71	38.1 Å²	38.1	38%	0.38	19%	0.185	S	C	.	.	H	α-helix	trans	-65.6	-52.1	178	-66.3	-19.7	0	0	0	111.2	D191 A192 T193 L197 N198 E199	D191-N195 VanDerWaalsContact O-CG 3.3Å; D191-N195 PolarHBondContact O-N 2.82Å; D191-N195 VanDerWaalsContact O-N 3.15Å; D191-N195 PolarHBondContact O-ND2 3.04Å; A192-N195 PolarHBondContact O-N 2.85Å; T193-N195 VanDerWaalsContact C-N 3.27Å; T193-N195 PolarHBondContact O-N 2.77Å; N195-L197 PolarHBondContact O-N 2.8Å; N195-N198 PolarHBondContact O-N 3.07Å; N195-N198 VanDerWaalsContact O-N 3.14Å; N195-E199 WeakPolarHBondContact O-CG 3.23Å; N195-E199 PolarHBondContact O-N 2.84Å; N195-E199 VanDerWaalsContact O-N 3.1Å
196	I	98.3	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-42.4	-176.6	-70.7	-75.4	0	0	0	112.2	A192 T193 N198 E199 K200 T425 W428 L432	A192-I196 WeakPolarHBondContact O-CG1 3.27Å; A192-I196 PolarHBondContact O-N 3Å; T193-I196 PolarHBondContact O-N 2.84Å; I196-N198 PolarHBondContact O-N 2.66Å; I196-E199 PolarHBondContact O-N 3.05Å; I196-E199 VanDerWaalsContact O-N 3.14Å; I196-K200 PolarHBondContact O-N 3.4Å; I196-T425 HydrophobicContact CD1-CG2 3.63Å; I196-T425 HydrophobicContact CG1-CG2 4.14Å; I196-W428 HydrophobicContact CB-CB 4.39Å; I196-W428 HydrophobicContact CB-CD2 4.13Å; I196-W428 HydrophobicContact CB-CG 4.09Å; I196-W428 HydrophobicContact CD1-CB 3.81Å; I196-W428 HydrophobicContact CD1-CG 4.41Å; I196-W428 HydrophobicContact CG1-CB 3.58Å; I196-W428 HydrophobicContact CG1-CD2 4.23Å; I196-W428 HydrophobicContact CG1-CG 3.66Å; I196-W428 HydrophobicContact CG2-CB 4.27Å; I196-W428 HydrophobicContact CG2-CD2 3.77Å; I196-W428 HydrophobicContact CG2-CE3 3.67Å; I196-W428 HydrophobicContact CG2-CG 4.07Å; I196-W428 HydrophobicContact CG2-CZ3 4.25Å; I196-L432 HydrophobicContact CG2-CD1 3.66Å
197	L	98.2	Very high	97.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-21.3	179.3	-89.8	62.4	0	0	0	113.5	T193 N195 S203 F205 L231 W237 W428	T193-L197 HydrophobicContact CG2-CD1 3.83Å; T193-L197 HydrophobicContact CG2-CD2 4.19Å; T193-L197 WeakPolarHBondContact O-CB 3.42Å; T193-L197 WeakPolarHBondContact O-CD1 3.22Å; T193-L197 PolarHBondContact O-N 3.24Å; N195-L197 PolarHBondContact O-N 2.8Å; L197-S203 WeakPolarHBondContact CA-OG 3.47Å; L197-F205 HydrophobicContact CD1-CB 4.18Å; L197-F205 HydrophobicContact CD2-CB 3.99Å; L197-L231 HydrophobicContact CB-CD1 3.69Å; L197-L231 HydrophobicContact CB-CD2 3.99Å; L197-L231 HydrophobicContact CB-CG 4.46Å; L197-L231 HydrophobicContact CD2-CD1 4.36Å; L197-L231 WeakPolarHBondContact O-CD2 3.38Å; L197-W237 HydrophobicContact CD2-CB 3.8Å; L197-W237 HydrophobicContact CD2-CD2 4.1Å; L197-W237 HydrophobicContact CD2-CE3 3.85Å; L197-W237 HydrophobicContact CD2-CG 4.13Å; L197-W428 HydrophobicContact CD1-CH2 3.91Å; L197-W428 HydrophobicContact CD1-CZ2 4.07Å; L197-W428 HydrophobicContact CD1-CZ3 4.48Å
198	N	97.7	Very high	97.5	Very high	64 Å²	64	33.5 Å²	33.5	34%	0.342	17%	0.165	S	C	.	.	H	α-helix	trans	-84.1	-30.3	172.4	-76.1	-42.8	0	0	0	113.2	L194 N195 I196 S227 R230	L194-N198 PolarHBondContact O-N 3.49Å; L194-N198 PolarHBondContact O-ND2 3.07Å; N195-N198 PolarHBondContact O-N 3.07Å; N195-N198 VanDerWaalsContact O-N 3.14Å; I196-N198 PolarHBondContact O-N 2.66Å; N198-S227 PolarHBondContact ND2-OG 3.01Å; N198-S227 PolarHBondContact OD1-OG 3.44Å; N198-R230 PolarHBondContact OD1-NH2 2.92Å
199	E	97.1	Very high	97.3	Very high	141 Å²	141	31.5 Å²	31.5	66%	0.659	15%	0.152	S	C	*	.	H	α-helix	trans	-87.7	-37.2	-177.1	-70.7	176	-174.7	0	0	113.2	N195 I196	N195-E199 WeakPolarHBondContact O-CG 3.23Å; N195-E199 PolarHBondContact O-N 2.84Å; N195-E199 VanDerWaalsContact O-N 3.1Å; I196-E199 PolarHBondContact O-N 3.05Å; I196-E199 VanDerWaalsContact O-N 3.14Å
200	K	96	Very high	97.3	Very high	38 Å²	38	31.5 Å²	31.5	17%	0.165	15%	0.152	C	C	.	.			trans	-115.2	105.9	-172.8	-64.5	-171.1	179.3	-178	0	111.2	I196 E202 S203 N429 L432 D433	I196-K200 PolarHBondContact O-N 3.4Å; K200-E202 VanDerWaalsContact C-N 3.26Å; K200-E202 PolarHBondContact O-N 2.97Å; K200-S203 WeakPolarHBondContact O-CB 3.35Å; K200-S203 PolarHBondContact O-N 3.23Å; K200-S203 VanDerWaalsContact O-N 3.11Å; K200-S203 PolarHBondContact O-OG 3.19Å; K200-N429 WeakPolarHBondContact CE-OD1 3.33Å; K200-N429 PolarHBondContact NZ-OD1 2.83Å; K200-L432 HydrophobicContact CD-CD1 3.62Å; K200-D433 IonicContact NZ-OD1 3.51Å; K200-D433 PolarHBondContact NZ-OD1 3.46Å
201	E	93.4	Very high	97.3	Very high	160 Å²	160	31.6 Å²	31.6	75%	0.748	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.8	-174.1	-173.7	177.5	179.5	0	0	113.6	S203 R204 H236	E201-S203 VanDerWaalsContact C-N 3.34Å; E201-R204 PolarHBondContact O-NH1 3.33Å; E201-H236 PolarHBondContact O-CE1 2.93Å; E201-H236 VanDerWaalsContact O-CE1 3.27Å
202	E	93.7	Very high	97.3	Very high	78 Å²	78	29.7 Å²	29.7	36%	0.364	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.8	179.4	75.8	-79.9	-166.5	0	0	113.8	K200 R204 N436 F454	K200-E202 VanDerWaalsContact C-N 3.26Å; K200-E202 PolarHBondContact O-N 2.97Å; E202-R204 PolarHBondContact O-NH1 3.17Å; E202-N436 PolarHBondContact OE1-ND2 3.13Å; E202-F454 HydrophobicContact CG-CD2 4.41Å; E202-F454 WeakPolarHBondContact O-CB 3.28Å
203	S	96.9	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.			trans	-71.3	142.3	-173.9	67.9	0	0	0	0	112.1	L197 K200 E201	L197-S203 WeakPolarHBondContact CA-OG 3.47Å; K200-S203 WeakPolarHBondContact O-CB 3.35Å; K200-S203 PolarHBondContact O-N 3.23Å; K200-S203 VanDerWaalsContact O-N 3.11Å; K200-S203 PolarHBondContact O-OG 3.19Å; E201-S203 VanDerWaalsContact C-N 3.34Å
204	R	98.3	Very high	97.2	Very high	47 Å²	47	30.6 Å²	30.6	18%	0.177	15%	0.147	C	C	.	.			trans	-135.5	150.6	179.2	-63.5	-63.7	-179.2	-83	2.8	109.3	P166 E201 E202 H236 F454 S455 T456	P166-R204 VanDerWaalsContact CB-O 3.26Å; P166-R204 WeakPolarHBondContact CB-O 3.46Å; P166-R204 VanDerWaalsContact CG-O 3.23Å; P166-R204 WeakPolarHBondContact CG-O 3.3Å; E201-R204 PolarHBondContact O-NH1 3.33Å; E202-R204 PolarHBondContact O-NH1 3.17Å; R204-H236 CarbonylContact C-O 3.56Å; R204-H236 VanDerWaalsContact CA-O 3.29Å; R204-H236 WeakPolarHBondContact CA-O 3.4Å; R204-H236 VanDerWaalsContact CZ-CD2 3.5Å; R204-H236 PolarHBondContact NH2-NE2 3Å; R204-F454 HydrophobicContact CB-CB 4.47Å; R204-F454 HydrophobicContact CG-CB 4.33Å; R204-S455 VanDerWaalsContact CB-O 3.31Å; R204-S455 WeakPolarHBondContact CB-O 2.97Å; R204-T456 HydrophobicContact CB-CG2 4.05Å; R204-T456 HydrophobicContact CG-CG2 4.3Å
205	F	98.6	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.3	177.6	-170.8	-111.3	0	0	0	112.4	P166 T193 L197 Y207 H236 W237 E238 Y422 W428	P166-F205 HydrophobicContact CB-CD2 4.23Å; P166-F205 CarbonylContact O-C 3.48Å; P166-F205 WeakPolarHBondContact O-CA 3.32Å; T193-F205 HydrophobicContact CG2-CB 3.92Å; T193-F205 HydrophobicContact CG2-CD1 3.46Å; T193-F205 VanDerWaalsContact CG2-CD1 3.46Å; T193-F205 HydrophobicContact CG2-CD2 4.3Å; T193-F205 HydrophobicContact CG2-CE1 3.94Å; T193-F205 HydrophobicContact CG2-CG 3.65Å; L197-F205 HydrophobicContact CD1-CB 4.18Å; L197-F205 HydrophobicContact CD2-CB 3.99Å; F205-Y207 AromaticContact CE1-CD2 3.74Å; F205-Y207 HydrophobicContact CE1-CD2 3.74Å; F205-Y207 HydrophobicContact CE1-CG 4.33Å; F205-Y207 HydrophobicContact CZ-CD2 4.21Å; F205-H236 PolarHBondContact N-O 3.4Å; F205-W237 HydrophobicContact CD1-CD2 4.25Å; F205-W237 AromaticContact CD1-CE2 3.6Å; F205-W237 AromaticContact CD1-CZ2 3.88Å; F205-W237 HydrophobicContact CD1-CZ2 3.88Å; F205-W237 AromaticContact CD1-NE1 3.48Å; F205-W237 AromaticContact CE1-CZ2 3.95Å; F205-W237 HydrophobicContact CE1-CZ2 3.95Å; F205-W237 WeakPolarHBondContact O-CA 3.48Å; F205-E238 PolarHBondContact O-N 3.1Å; F205-Y422 AromaticContact CE2-CD2 3.83Å; F205-Y422 HydrophobicContact CE2-CD2 3.83Å; F205-Y422 HydrophobicContact CE2-CE2 4.43Å; F205-Y422 HydrophobicContact CE2-CG 4.29Å; F205-W428 HydrophobicContact CB-CH2 4.06Å; F205-W428 HydrophobicContact CB-CZ2 4.25Å; F205-W428 AromaticContact CD2-CH2 3.77Å; F205-W428 HydrophobicContact CD2-CH2 3.77Å; F205-W428 AromaticContact CD2-CZ2 3.57Å; F205-W428 HydrophobicContact CD2-CZ2 3.57Å; F205-W428 HydrophobicContact CE2-CZ2 4.15Å; F205-W428 HydrophobicContact CG-CH2 4.26Å; F205-W428 HydrophobicContact CG-CZ2 4.07Å
206	V	98.5	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.8	175.3	166	0	0	0	0	109.9	V165 P166 F167 E238 V240 L457	V165-V206 HydrophobicContact CG1-CB 3.92Å; V165-V206 HydrophobicContact CG1-CG2 3.4Å; P166-V206 PolarHBondContact O-N 2.74Å; F167-V206 WeakPolarHBondContact CA-O 3.36Å; F167-V206 HydrophobicContact CB-CB 3.98Å; F167-V206 HydrophobicContact CB-CG1 4.28Å; F167-V206 WeakPolarHBondContact CB-O 3.35Å; V206-E238 WeakPolarHBondContact CA-O 3.5Å; V206-E238 HydrophobicContact CG2-CB 4.21Å; V206-V240 HydrophobicContact CG1-CB 4.23Å; V206-V240 HydrophobicContact CG1-CG1 3.61Å; V206-V240 HydrophobicContact CG1-CG2 3.53Å; V206-V240 HydrophobicContact CG2-CG1 4.46Å; V206-L457 HydrophobicContact CG1-CD1 4.42Å; V206-L457 HydrophobicContact CG1-CG 4.48Å; V206-L457 HydrophobicContact CG2-CG 4.15Å
207	Y	98.3	Very high	97.2	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.1	179	-164.4	-97.6	0	0	0	110.7	Q170 T186 L190 F205 E209 F212 L213 E238 I239 V240	Q170-Y207 VanDerWaalsContact CD-CE2 3.41Å; Q170-Y207 VanDerWaalsContact NE2-CE2 3.31Å; Q170-Y207 PolarHBondContact OE1-OH 3.12Å; T186-Y207 VanDerWaalsContact CG2-OH 3.28Å; T186-Y207 WeakPolarHBondContact CG2-OH 3.33Å; L190-Y207 HydrophobicContact CD2-CD2 4.03Å; L190-Y207 HydrophobicContact CD2-CE1 4.47Å; L190-Y207 HydrophobicContact CD2-CE2 3.65Å; F205-Y207 AromaticContact CE1-CD2 3.74Å; F205-Y207 HydrophobicContact CE1-CD2 3.74Å; F205-Y207 HydrophobicContact CE1-CG 4.33Å; F205-Y207 HydrophobicContact CZ-CD2 4.21Å; Y207-E209 WeakPolarHBondContact CE1-O 3.34Å; Y207-F212 WeakPolarHBondContact OH-CB 3.35Å; Y207-L213 HydrophobicContact CD1-CD1 4.25Å; Y207-L213 HydrophobicContact CD1-CD2 4.14Å; Y207-L213 HydrophobicContact CD1-CG 4.19Å; Y207-L213 HydrophobicContact CE1-CD1 4.39Å; Y207-L213 HydrophobicContact CE1-CD2 3.92Å; Y207-L213 HydrophobicContact CE1-CG 3.87Å; Y207-E238 PolarHBondContact N-O 3.06Å; Y207-I239 HydrophobicContact CD1-CD1 4.2Å; Y207-I239 HydrophobicContact CG-CD1 4.47Å; Y207-I239 CarbonylContact O-C 3.5Å; Y207-I239 VanDerWaalsContact O-CA 3.24Å; Y207-I239 WeakPolarHBondContact O-CA 3.36Å; Y207-V240 PolarHBondContact O-N 3.06Å
208	S	96.3	Very high	97	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.049	17%	0.172	C	C	.	.			trans	-106.1	-50.8	-168.5	-173.3	0	0	0	0	115.1	V240 G242	S208-V240 CarbonylContact C-O 3.45Å; S208-V240 VanDerWaalsContact CA-O 3.27Å; S208-V240 WeakPolarHBondContact CA-O 3.24Å; S208-G242 WeakPolarHBondContact O-CA 3.32Å; S208-G242 PolarHBondContact O-N 3.12Å
209	E	92.4	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.174	C	C	.	.			trans	-98.3	143.8	-160.8	-55.9	-164.5	132.7	0	0	114.2	P172 Y207 V245 M246 H564	P172-E209 VanDerWaalsContact CD-OE2 3.31Å; P172-E209 WeakPolarHBondContact CD-OE2 2.97Å; P172-E209 WeakPolarHBondContact CG-OE2 3.42Å; Y207-E209 WeakPolarHBondContact CE1-O 3.34Å; E209-V245 WeakPolarHBondContact OE1-CA 3.32Å; E209-V245 WeakPolarHBondContact OE1-CB 2.79Å; E209-M246 PolarHBondContact OE1-N 3.03Å; E209-H564 IonicContact OE1-CD2 3.79Å; E209-H564 PolarHBondContact OE1-CD2 3Å; E209-H564 VanDerWaalsContact OE1-CD2 3.28Å; E209-H564 IonicContact OE1-NE2 3.86Å
210	V	98.3	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-87.2	-27.2	179	173.2	0	0	0	0	112.9	F212 L213 D214 G242 G243 W244 W267 L268	V210-F212 VanDerWaalsContact C-N 3.31Å; V210-F212 PolarHBondContact O-N 3.14Å; V210-L213 WeakPolarHBondContact O-CA 3.42Å; V210-L213 WeakPolarHBondContact O-CB 3.4Å; V210-L213 PolarHBondContact O-N 3.1Å; V210-D214 PolarHBondContact O-N 3.1Å; V210-G242 WeakPolarHBondContact CG2-O 3.26Å; V210-G243 WeakPolarHBondContact CB-O 3.25Å; V210-G243 WeakPolarHBondContact CG2-O 2.97Å; V210-G243 PolarHBondContact N-O 2.72Å; V210-W244 HydrophobicContact CB-CE3 4.28Å; V210-W244 HydrophobicContact CG1-CE3 3.9Å; V210-W244 HydrophobicContact CG1-CZ3 3.85Å; V210-W244 PolarHBondContact N-O 2.99Å; V210-W267 HydrophobicContact CG1-CB 3.99Å; V210-W267 HydrophobicContact CG1-CD2 3.51Å; V210-W267 HydrophobicContact CG1-CE3 3.34Å; V210-W267 HydrophobicContact CG1-CG 3.78Å; V210-W267 HydrophobicContact CG1-CZ3 4.01Å; V210-L268 HydrophobicContact CG2-CD1 3.77Å; V210-L268 HydrophobicContact CG2-CD2 4.19Å; V210-L268 HydrophobicContact CG2-CG 3.79Å
211	S	98.3	Very high	97.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-54.2	-43.1	-175.6	63.3	0	0	0	0	113.6	W244	S211-W244 WeakPolarHBondContact CB-O 3.21Å; S211-W244 PolarHBondContact N-O 2.96Å; S211-W244 PolarHBondContact OG-O 2.86Å
212	F	98.5	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-74.9	-31.8	175.2	-76.9	-66.1	0	0	0	113.7	Q170 P172 L178 F182 T186 Y207 V210 D214 L215 W216	Q170-F212 HydrophobicContact CB-CD2 3.88Å; Q170-F212 HydrophobicContact CB-CE2 3.55Å; Q170-F212 HydrophobicContact CB-CZ 4.39Å; Q170-F212 HydrophobicContact CG-CE2 4.5Å; P172-F212 HydrophobicContact CB-CD2 4.4Å; P172-F212 HydrophobicContact CB-CE2 3.76Å; P172-F212 HydrophobicContact CB-CZ 4.13Å; L178-F212 HydrophobicContact CD1-CD1 3.84Å; L178-F212 HydrophobicContact CD1-CE1 3.54Å; L178-F212 HydrophobicContact CD1-CE2 4.24Å; L178-F212 HydrophobicContact CD1-CG 4.33Å; L178-F212 HydrophobicContact CD1-CZ 3.77Å; L178-F212 HydrophobicContact CG-CE1 4.47Å; L178-F212 WeakPolarHBondContact O-CE1 3.24Å; F182-F212 HydrophobicContact CB-CD1 4Å; F182-F212 HydrophobicContact CB-CE1 3.96Å; F182-F212 HydrophobicContact CD2-CD1 4.22Å; T186-F212 HydrophobicContact CG2-CB 3.79Å; T186-F212 HydrophobicContact CG2-CD1 3.87Å; T186-F212 HydrophobicContact CG2-CD2 4.23Å; T186-F212 HydrophobicContact CG2-CE1 4.46Å; T186-F212 HydrophobicContact CG2-CG 3.72Å; Y207-F212 WeakPolarHBondContact OH-CB 3.35Å; V210-F212 VanDerWaalsContact C-N 3.31Å; V210-F212 PolarHBondContact O-N 3.14Å; F212-D214 VanDerWaalsContact C-N 3.28Å; F212-D214 PolarHBondContact O-N 3.12Å; F212-L215 PolarHBondContact O-N 3.09Å; F212-W216 WeakPolarHBondContact O-CB 3.36Å; F212-W216 PolarHBondContact O-N 2.99Å
213	L	98.4	Very high	97.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-35.3	175.2	-63.5	177.6	0	0	0	111.3	L190 Y207 V210 L215 W216 I217 F228 I239 W267 L268	L190-L213 HydrophobicContact CD1-CD2 4.2Å; L190-L213 HydrophobicContact CD2-CD2 4.32Å; Y207-L213 HydrophobicContact CD1-CD1 4.25Å; Y207-L213 HydrophobicContact CD1-CD2 4.14Å; Y207-L213 HydrophobicContact CD1-CG 4.19Å; Y207-L213 HydrophobicContact CE1-CD1 4.39Å; Y207-L213 HydrophobicContact CE1-CD2 3.92Å; Y207-L213 HydrophobicContact CE1-CG 3.87Å; V210-L213 WeakPolarHBondContact O-CA 3.42Å; V210-L213 WeakPolarHBondContact O-CB 3.4Å; V210-L213 PolarHBondContact O-N 3.1Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-W216 HydrophobicContact CD2-CE3 4.06Å; L213-W216 PolarHBondContact O-N 2.72Å; L213-I217 WeakPolarHBondContact O-CB 3.43Å; L213-I217 PolarHBondContact O-N 3.09Å; L213-F228 HydrophobicContact CD2-CZ 4.35Å; L213-I239 HydrophobicContact CD1-CD1 3.99Å; L213-I239 HydrophobicContact CD1-CG1 4.45Å; L213-W267 HydrophobicContact CB-CH2 3.5Å; L213-W267 VanDerWaalsContact CB-CH2 3.5Å; L213-W267 HydrophobicContact CB-CZ2 4.38Å; L213-W267 HydrophobicContact CB-CZ3 3.72Å; L213-W267 HydrophobicContact CD1-CZ3 4.23Å; L213-L268 HydrophobicContact CD1-CD2 4.38Å
214	D	97.8	Very high	97.6	Very high	24 Å²	24	35.3 Å²	35.3	13%	0.128	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-40.4	173.2	-174.5	72	0	0	0	112.2	V210 F212 N218 W244 W267 R557	V210-D214 PolarHBondContact O-N 3.1Å; F212-D214 VanDerWaalsContact C-N 3.28Å; F212-D214 PolarHBondContact O-N 3.12Å; D214-N218 PolarHBondContact O-ND2 3.05Å; D214-W244 HydrophobicContact CB-CH2 3.74Å; D214-W244 HydrophobicContact CB-CZ3 4.35Å; D214-W267 VanDerWaalsContact CA-CZ2 3.49Å; D214-W267 HydrophobicContact CB-CZ2 4.13Å; D214-W267 PolarHBondContact OD1-NE1 3.03Å; D214-R557 IonicContact OD1-CZ 3.7Å; D214-R557 IonicContact OD1-NH1 3.12Å; D214-R557 PolarHBondContact OD1-NH1 3.46Å; D214-R557 IonicContact OD1-NH2 2.77Å; D214-R557 PolarHBondContact OD1-NH2 2.91Å; D214-R557 IonicContact OD2-CZ 2.62Å; D214-R557 IonicContact OD2-NH1 3.16Å; D214-R557 PolarHBondContact OD2-NH1 2.78Å
215	L	98	Very high	97.6	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.236	18%	0.183	C	C	.	.	H	α-helix	trans	-70.7	-44.4	173.1	-62.9	179.3	0	0	0	111.9	L178 F182 F212 L213	L178-L215 HydrophobicContact CD1-CD1 4.22Å; L178-L215 HydrophobicContact CD2-CD1 4.13Å; L178-L215 HydrophobicContact CG-CD1 3.91Å; F182-L215 HydrophobicContact CB-CD1 3.84Å; F182-L215 HydrophobicContact CD1-CB 4.13Å; F182-L215 HydrophobicContact CD1-CD1 4.28Å; F182-L215 HydrophobicContact CD2-CB 3.74Å; F182-L215 HydrophobicContact CD2-CD1 4.24Å; F182-L215 HydrophobicContact CE1-CB 4.11Å; F182-L215 HydrophobicContact CE2-CB 3.73Å; F182-L215 HydrophobicContact CG-CB 3.94Å; F182-L215 HydrophobicContact CG-CD1 3.84Å; F182-L215 HydrophobicContact CZ-CB 3.91Å; F212-L215 PolarHBondContact O-N 3.09Å; L213-L215 VanDerWaalsContact C-N 3.34Å
216	W	98.3	Very high	97.6	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-43.1	-174.2	-176.6	57.5	0	0	0	112.9	F182 L190 D191 L194 F212 L213 N218 T219 L220 F228 W237	F182-W216 HydrophobicContact CE2-CB 3.84Å; F182-W216 HydrophobicContact CZ-CB 4.45Å; L190-W216 HydrophobicContact CB-CD2 3.73Å; L190-W216 VanDerWaalsContact CB-CE2 3.43Å; L190-W216 HydrophobicContact CB-CE3 4.32Å; L190-W216 HydrophobicContact CB-CG 4.04Å; L190-W216 HydrophobicContact CB-CH2 4.36Å; L190-W216 HydrophobicContact CB-CZ2 3.78Å; L190-W216 HydrophobicContact CD1-CB 3.65Å; L190-W216 HydrophobicContact CD1-CD2 3.67Å; L190-W216 HydrophobicContact CD1-CE3 4.04Å; L190-W216 HydrophobicContact CD1-CG 3.49Å; L190-W216 VanDerWaalsContact CD1-CG 3.49Å; L190-W216 HydrophobicContact CG-CD2 4.3Å; L190-W216 HydrophobicContact CG-CG 4.42Å; D191-W216 PolarHBondContact OD1-NE1 3.22Å; L194-W216 HydrophobicContact CB-CH2 4.29Å; L194-W216 HydrophobicContact CB-CZ2 4.22Å; L194-W216 HydrophobicContact CD2-CH2 4.1Å; L194-W216 HydrophobicContact CD2-CZ2 4.03Å; F212-W216 WeakPolarHBondContact O-CB 3.36Å; F212-W216 PolarHBondContact O-N 2.99Å; L213-W216 HydrophobicContact CD2-CE3 4.06Å; L213-W216 PolarHBondContact O-N 2.72Å; W216-N218 PolarHBondContact O-N 3.19Å; W216-N218 VanDerWaalsContact O-N 3.15Å; W216-T219 WeakPolarHBondContact O-CA 3.47Å; W216-T219 WeakPolarHBondContact O-CB 3.17Å; W216-T219 PolarHBondContact O-N 3.3Å; W216-T219 PolarHBondContact O-OG1 3.07Å; W216-L220 HydrophobicContact CD2-CD1 3.93Å; W216-L220 HydrophobicContact CD2-CD2 4.38Å; W216-L220 HydrophobicContact CD2-CG 4.28Å; W216-L220 HydrophobicContact CE3-CD1 3.84Å; W216-L220 HydrophobicContact CH2-CD1 3.6Å; W216-L220 HydrophobicContact CZ2-CD1 3.67Å; W216-L220 HydrophobicContact CZ2-CD2 3.76Å; W216-L220 HydrophobicContact CZ2-CG 4.23Å; W216-L220 HydrophobicContact CZ3-CD1 3.68Å; W216-F228 HydrophobicContact CH2-CD2 4.28Å; W216-F228 HydrophobicContact CH2-CG 4.3Å; W216-F228 HydrophobicContact CZ3-CD1 4.06Å; W216-F228 HydrophobicContact CZ3-CD2 4.06Å; W216-F228 HydrophobicContact CZ3-CE1 4.2Å; W216-F228 HydrophobicContact CZ3-CE2 4.21Å; W216-F228 AromaticContact CZ3-CG 3.99Å; W216-F228 HydrophobicContact CZ3-CG 3.99Å; W216-F228 HydrophobicContact CZ3-CZ 4.27Å; W216-W237 HydrophobicContact CH2-CH2 4.06Å; W216-W237 HydrophobicContact CH2-CZ3 4.25Å; W216-W237 HydrophobicContact CZ3-CH2 4.4Å
217	I	97.1	Very high	97.5	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-29.8	-174	-161.3	55.9	0	0	0	113	L213 T219 L220 K225 W267 F272	L213-I217 WeakPolarHBondContact O-CB 3.43Å; L213-I217 PolarHBondContact O-N 3.09Å; I217-T219 PolarHBondContact O-N 3.01Å; I217-L220 HydrophobicContact CD1-CD1 3.73Å; I217-L220 HydrophobicContact CD1-CG 4.45Å; I217-L220 PolarHBondContact O-N 3.07Å; I217-K225 HydrophobicContact CD1-CB 4.31Å; I217-K225 HydrophobicContact CD1-CD 3.88Å; I217-K225 HydrophobicContact CD1-CG 3.57Å; I217-K225 HydrophobicContact CG1-CD 4.18Å; I217-K225 HydrophobicContact CG1-CG 4.4Å; I217-K225 VanDerWaalsContact O-CE 3.26Å; I217-K225 WeakPolarHBondContact O-CE 3.26Å; I217-W267 HydrophobicContact CB-CZ2 4.38Å; I217-W267 HydrophobicContact CG2-CH2 4.46Å; I217-W267 HydrophobicContact CG2-CZ2 3.84Å; I217-F272 HydrophobicContact CD1-CE1 3.99Å; I217-F272 HydrophobicContact CD1-CZ 3.52Å; I217-F272 HydrophobicContact CG1-CZ 3.92Å
218	N	95.7	Very high	97.5	Very high	125 Å²	125	41.7 Å²	41.7	67%	0.668	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.2	176.7	-70	-41.4	0	0	0	112.8	D214 W216	D214-N218 PolarHBondContact O-ND2 3.05Å; W216-N218 PolarHBondContact O-N 3.19Å; W216-N218 VanDerWaalsContact O-N 3.15Å
219	T	97.7	Very high	97.6	Very high	64 Å²	64	44 Å²	44	39%	0.393	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.1	176.9	75.3	0	0	0	0	113.8	F182 W216 I217	F182-T219 HydrophobicContact CE1-CG2 4.3Å; F182-T219 HydrophobicContact CZ-CG2 3.88Å; W216-T219 WeakPolarHBondContact O-CA 3.47Å; W216-T219 WeakPolarHBondContact O-CB 3.17Å; W216-T219 PolarHBondContact O-N 3.3Å; W216-T219 PolarHBondContact O-OG1 3.07Å; I217-T219 PolarHBondContact O-N 3.01Å
220	L	97.9	Very high	97.9	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	24%	0.243	C	C	.	.	S	Bend	trans	-92.2	145.9	-173.5	-61.6	-174.2	0	0	0	113.2	W216 I217 Q224 K225	W216-L220 HydrophobicContact CD2-CD1 3.93Å; W216-L220 HydrophobicContact CD2-CD2 4.38Å; W216-L220 HydrophobicContact CD2-CG 4.28Å; W216-L220 HydrophobicContact CE3-CD1 3.84Å; W216-L220 HydrophobicContact CH2-CD1 3.6Å; W216-L220 HydrophobicContact CZ2-CD1 3.67Å; W216-L220 HydrophobicContact CZ2-CD2 3.76Å; W216-L220 HydrophobicContact CZ2-CG 4.23Å; W216-L220 HydrophobicContact CZ3-CD1 3.68Å; I217-L220 HydrophobicContact CD1-CD1 3.73Å; I217-L220 HydrophobicContact CD1-CG 4.45Å; I217-L220 PolarHBondContact O-N 3.07Å; L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD1-CB 4.45Å; L220-Q224 HydrophobicContact CD2-CB 4.23Å; L220-Q224 HydrophobicContact CG-CB 4.46Å; L220-K225 HydrophobicContact CB-CG 3.96Å; L220-K225 WeakPolarHBondContact O-CE 3.3Å
221	S	97.9	Very high	97.9	Very high	54 Å²	54	49.4 Å²	49.4	38%	0.378	24%	0.244	S	C	.	.			trans	-70.3	156.9	165.3	78.2	0	0	0	0	111.3	E223 Q224 K225	S221-E223 PolarHBondContact O-N 3.4Å; S221-Q224 WeakPolarHBondContact O-CB 3.17Å; S221-Q224 PolarHBondContact O-N 3.02Å; S221-Q224 WeakPolarHBondContact OG-CG 3.23Å; S221-Q224 PolarHBondContact OG-N 3.21Å; S221-Q224 PolarHBondContact OG-OE1 2.78Å; S221-K225 WeakPolarHBondContact O-CG 3.34Å; S221-K225 PolarHBondContact O-N 2.88Å
222	E	97.4	Very high	97.9	Very high	121 Å²	121	49.6 Å²	49.6	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-57.5	-34.1	177.9	-69.1	-56.2	127.4	0	0	113.1	K225 Q226	E222-K225 PolarHBondContact O-N 3.26Å; E222-K225 WeakPolarHBondContact OE1-CE 3.48Å; E222-K225 IonicContact OE1-NZ 3.91Å; E222-K225 PolarHBondContact OE1-NZ 3.38Å; E222-Q226 WeakPolarHBondContact O-CG 3.19Å; E222-Q226 PolarHBondContact O-N 3.16Å
223	E	97.9	Very high	97.7	Very high	160 Å²	160	54.7 Å²	54.7	75%	0.748	27%	0.271	S	S	*	.	H	α-helix	trans	-62.5	-46.6	173.6	-177.6	-179	-176.9	0	0	111.7	S221 K225 Q226 S227	S221-E223 PolarHBondContact O-N 3.4Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 2.73Å; E223-Q226 PolarHBondContact O-N 2.66Å; E223-S227 WeakPolarHBondContact O-CB 3.16Å; E223-S227 PolarHBondContact O-N 3.49Å
224	Q	98.1	Very high	97.6	Very high	67 Å²	67	59.6 Å²	59.6	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-39.7	176.4	-72.6	173.8	-50.2	0	0	111.5	L194 L220 S221 S227 F228	L194-Q224 HydrophobicContact CD2-CB 3.9Å; L194-Q224 HydrophobicContact CD2-CG 4.09Å; L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD1-CB 4.45Å; L220-Q224 HydrophobicContact CD2-CB 4.23Å; L220-Q224 HydrophobicContact CG-CB 4.46Å; S221-Q224 WeakPolarHBondContact O-CB 3.17Å; S221-Q224 PolarHBondContact O-N 3.02Å; S221-Q224 WeakPolarHBondContact OG-CG 3.23Å; S221-Q224 PolarHBondContact OG-N 3.21Å; S221-Q224 PolarHBondContact OG-OE1 2.78Å; Q224-S227 PolarHBondContact O-N 3.11Å; Q224-F228 WeakPolarHBondContact O-CB 3.32Å; Q224-F228 PolarHBondContact O-N 2.87Å
225	K	98.3	Very high	97.5	Very high	50 Å²	50	59.8 Å²	59.8	22%	0.217	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-44.7	174.8	-60.4	-172.3	-172.5	162.5	0	112.2	I217 L220 S221 E222 E223 S227 F228 K229	I217-K225 HydrophobicContact CD1-CB 4.31Å; I217-K225 HydrophobicContact CD1-CD 3.88Å; I217-K225 HydrophobicContact CD1-CG 3.57Å; I217-K225 HydrophobicContact CG1-CD 4.18Å; I217-K225 HydrophobicContact CG1-CG 4.4Å; I217-K225 VanDerWaalsContact O-CE 3.26Å; I217-K225 WeakPolarHBondContact O-CE 3.26Å; L220-K225 HydrophobicContact CB-CG 3.96Å; L220-K225 WeakPolarHBondContact O-CE 3.3Å; S221-K225 WeakPolarHBondContact O-CG 3.34Å; S221-K225 PolarHBondContact O-N 2.88Å; E222-K225 PolarHBondContact O-N 3.26Å; E222-K225 WeakPolarHBondContact OE1-CE 3.48Å; E222-K225 IonicContact OE1-NZ 3.91Å; E222-K225 PolarHBondContact OE1-NZ 3.38Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 2.73Å; K225-S227 VanDerWaalsContact C-N 3.32Å; K225-F228 PolarHBondContact O-N 2.99Å; K225-K229 WeakPolarHBondContact O-CB 3.45Å; K225-K229 PolarHBondContact O-N 2.89Å
226	Q	97.8	Very high	97.5	Very high	115 Å²	115	59 Å²	59	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-38.4	176	-67	-50.8	-46.1	0	0	111.7	E222 E223 K229 R230	E222-Q226 WeakPolarHBondContact O-CG 3.19Å; E222-Q226 PolarHBondContact O-N 3.16Å; E223-Q226 PolarHBondContact O-N 2.66Å; Q226-K229 PolarHBondContact O-N 2.9Å; Q226-R230 WeakPolarHBondContact O-CB 3.26Å; Q226-R230 PolarHBondContact O-N 2.89Å
227	S	98.1	Very high	97.5	Very high	18 Å²	18	59 Å²	59	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-48.4	176.9	-159.5	0	0	0	0	111.7	N198 E223 Q224 K225 K229 R230 L231	N198-S227 PolarHBondContact ND2-OG 3.01Å; N198-S227 PolarHBondContact OD1-OG 3.44Å; E223-S227 WeakPolarHBondContact O-CB 3.16Å; E223-S227 PolarHBondContact O-N 3.49Å; Q224-S227 PolarHBondContact O-N 3.11Å; K225-S227 VanDerWaalsContact C-N 3.32Å; S227-K229 PolarHBondContact O-N 2.84Å; S227-R230 WeakPolarHBondContact O-CB 3.26Å; S227-R230 PolarHBondContact O-N 3.48Å; S227-R230 VanDerWaalsContact O-N 3.17Å; S227-R230 PolarHBondContact OG-NH2 2.81Å; S227-L231 WeakPolarHBondContact O-CG 3.42Å; S227-L231 PolarHBondContact O-N 2.84Å
228	F	98.3	Very high	97.6	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-47.6	174.2	176.7	-125.4	0	0	0	111.6	L194 L213 W216 Q224 K225 R230 L231 L232 W237 I239 F272	L194-F228 HydrophobicContact CD1-CB 4.09Å; L213-F228 HydrophobicContact CD2-CZ 4.35Å; W216-F228 HydrophobicContact CH2-CD2 4.28Å; W216-F228 HydrophobicContact CH2-CG 4.3Å; W216-F228 HydrophobicContact CZ3-CD1 4.06Å; W216-F228 HydrophobicContact CZ3-CD2 4.06Å; W216-F228 HydrophobicContact CZ3-CE1 4.2Å; W216-F228 HydrophobicContact CZ3-CE2 4.21Å; W216-F228 AromaticContact CZ3-CG 3.99Å; W216-F228 HydrophobicContact CZ3-CG 3.99Å; W216-F228 HydrophobicContact CZ3-CZ 4.27Å; Q224-F228 WeakPolarHBondContact O-CB 3.32Å; Q224-F228 PolarHBondContact O-N 2.87Å; K225-F228 PolarHBondContact O-N 2.99Å; F228-R230 VanDerWaalsContact C-N 3.32Å; F228-R230 PolarHBondContact O-N 2.89Å; F228-L231 WeakPolarHBondContact O-CB 3.15Å; F228-L231 PolarHBondContact O-N 3.06Å; F228-L231 VanDerWaalsContact O-N 3.13Å; F228-L232 HydrophobicContact CD1-CD1 4.22Å; F228-L232 HydrophobicContact CD2-CG 4.34Å; F228-L232 HydrophobicContact CE1-CD1 3.75Å; F228-L232 HydrophobicContact CE1-CG 4.41Å; F228-L232 HydrophobicContact CE2-CD1 4.19Å; F228-L232 HydrophobicContact CE2-CD2 3.92Å; F228-L232 HydrophobicContact CE2-CG 3.97Å; F228-L232 HydrophobicContact CZ-CD1 3.73Å; F228-L232 HydrophobicContact CZ-CD2 3.99Å; F228-L232 HydrophobicContact CZ-CG 4.02Å; F228-L232 WeakPolarHBondContact O-CG 3.48Å; F228-L232 PolarHBondContact O-N 2.65Å; F228-W237 HydrophobicContact CD2-CD2 4.01Å; F228-W237 AromaticContact CD2-CE3 3.6Å; F228-W237 HydrophobicContact CD2-CE3 3.6Å; F228-W237 HydrophobicContact CD2-CH2 4.37Å; F228-W237 AromaticContact CD2-CZ3 3.79Å; F228-W237 HydrophobicContact CD2-CZ3 3.79Å; F228-W237 AromaticContact CE2-CD2 3.58Å; F228-W237 HydrophobicContact CE2-CD2 3.58Å; F228-W237 AromaticContact CE2-CE2 3.78Å; F228-W237 AromaticContact CE2-CE3 3.66Å; F228-W237 HydrophobicContact CE2-CE3 3.66Å; F228-W237 HydrophobicContact CE2-CG 4.08Å; F228-W237 HydrophobicContact CE2-CH2 4.17Å; F228-W237 HydrophobicContact CE2-CZ2 4.1Å; F228-W237 AromaticContact CE2-CZ3 3.95Å; F228-W237 HydrophobicContact CE2-CZ3 3.95Å; F228-I239 HydrophobicContact CZ-CD1 4.44Å; F228-F272 HydrophobicContact CD1-CD1 4.03Å; F228-F272 AromaticContact CD1-CE1 3.51Å; F228-F272 HydrophobicContact CD1-CE1 3.51Å; F228-F272 HydrophobicContact CD1-CE2 4.08Å; F228-F272 AromaticContact CD1-CZ 3.53Å; F228-F272 HydrophobicContact CD1-CZ 3.53Å; F228-F272 HydrophobicContact CE1-CD1 4.29Å; F228-F272 HydrophobicContact CE1-CD2 4.02Å; F228-F272 AromaticContact CE1-CE1 3.9Å; F228-F272 HydrophobicContact CE1-CE1 3.9Å; F228-F272 AromaticContact CE1-CE2 3.58Å; F228-F272 HydrophobicContact CE1-CE2 3.58Å; F228-F272 HydrophobicContact CE1-CG 4.35Å; F228-F272 AromaticContact CE1-CZ 3.52Å; F228-F272 HydrophobicContact CE1-CZ 3.52Å
229	K	97.9	Very high	97.7	Very high	54 Å²	54	53 Å²	53	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-44.1	175.5	-175.4	175	177.7	171.4	0	112.5	K225 Q226 S227 L232 L233 F272	K225-K229 WeakPolarHBondContact O-CB 3.45Å; K225-K229 PolarHBondContact O-N 2.89Å; Q226-K229 PolarHBondContact O-N 2.9Å; S227-K229 PolarHBondContact O-N 2.84Å; K229-L232 WeakPolarHBondContact O-CB 3.29Å; K229-L232 PolarHBondContact O-N 3.16Å; K229-L233 HydrophobicContact CG-CD1 4.16Å; K229-L233 HydrophobicContact CG-CG 4.5Å; K229-L233 WeakPolarHBondContact O-CG 3.26Å; K229-L233 PolarHBondContact O-N 3.04Å; K229-F272 HydrophobicContact CB-CD1 4.12Å; K229-F272 VanDerWaalsContact CE-O 3.28Å; K229-F272 WeakPolarHBondContact CE-O 3.39Å
230	R	97.7	Very high	97.7	Very high	115 Å²	115	50 Å²	50	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-42	176.9	177.6	177.7	54.9	77.9	9.3	111.6	N198 Q226 S227 F228 L232 L233 N234	N198-R230 PolarHBondContact OD1-NH2 2.92Å; Q226-R230 WeakPolarHBondContact O-CB 3.26Å; Q226-R230 PolarHBondContact O-N 2.89Å; S227-R230 WeakPolarHBondContact O-CB 3.26Å; S227-R230 PolarHBondContact O-N 3.48Å; S227-R230 VanDerWaalsContact O-N 3.17Å; S227-R230 PolarHBondContact OG-NH2 2.81Å; F228-R230 VanDerWaalsContact C-N 3.32Å; F228-R230 PolarHBondContact O-N 2.89Å; R230-L232 VanDerWaalsContact C-N 3.33Å; R230-L232 PolarHBondContact O-N 3.11Å; R230-L233 PolarHBondContact O-N 2.91Å; R230-N234 WeakPolarHBondContact O-CB 3.41Å; R230-N234 VanDerWaalsContact O-CG 3.29Å; R230-N234 PolarHBondContact O-N 2.88Å
231	L	98.4	Very high	97.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-38.5	177.3	-67.7	171.7	0	0	0	112.4	L194 L197 S227 F228 G235 H236 W237	L194-L231 HydrophobicContact CD1-CD1 3.8Å; L197-L231 HydrophobicContact CB-CD1 3.69Å; L197-L231 HydrophobicContact CB-CD2 3.99Å; L197-L231 HydrophobicContact CB-CG 4.46Å; L197-L231 HydrophobicContact CD2-CD1 4.36Å; L197-L231 WeakPolarHBondContact O-CD2 3.38Å; S227-L231 WeakPolarHBondContact O-CG 3.42Å; S227-L231 PolarHBondContact O-N 2.84Å; F228-L231 WeakPolarHBondContact O-CB 3.15Å; F228-L231 PolarHBondContact O-N 3.06Å; F228-L231 VanDerWaalsContact O-N 3.13Å; L231-G235 PolarHBondContact O-N 2.98Å; L231-H236 HydrophobicContact CB-CB 4.42Å; L231-H236 HydrophobicContact CD2-CB 3.84Å; L231-H236 PolarHBondContact O-N 2.95Å; L231-W237 HydrophobicContact CB-CB 4.11Å; L231-W237 HydrophobicContact CD1-CE3 4.32Å; L231-W237 PolarHBondContact O-N 2.91Å
232	L	97.9	Very high	97.7	Very high	6 Å²	6	47 Å²	47	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-50.4	173.1	-67.9	178.2	0	0	0	111.9	F228 K229 R230 N234 G235 W237 I239 F272 Y274	F228-L232 HydrophobicContact CD1-CD1 4.22Å; F228-L232 HydrophobicContact CD2-CG 4.34Å; F228-L232 HydrophobicContact CE1-CD1 3.75Å; F228-L232 HydrophobicContact CE1-CG 4.41Å; F228-L232 HydrophobicContact CE2-CD1 4.19Å; F228-L232 HydrophobicContact CE2-CD2 3.92Å; F228-L232 HydrophobicContact CE2-CG 3.97Å; F228-L232 HydrophobicContact CZ-CD1 3.73Å; F228-L232 HydrophobicContact CZ-CD2 3.99Å; F228-L232 HydrophobicContact CZ-CG 4.02Å; F228-L232 WeakPolarHBondContact O-CG 3.48Å; F228-L232 PolarHBondContact O-N 2.65Å; K229-L232 WeakPolarHBondContact O-CB 3.29Å; K229-L232 PolarHBondContact O-N 3.16Å; R230-L232 VanDerWaalsContact C-N 3.33Å; R230-L232 PolarHBondContact O-N 3.11Å; L232-N234 VanDerWaalsContact C-N 3.31Å; L232-N234 PolarHBondContact O-N 2.81Å; L232-G235 PolarHBondContact O-N 2.88Å; L232-G235 VanDerWaalsContact O-N 3.16Å; L232-W237 WeakPolarHBondContact CA-O 3.27Å; L232-W237 HydrophobicContact CD2-CB 4.12Å; L232-W237 HydrophobicContact CD2-CG 4.27Å; L232-W237 WeakPolarHBondContact CD2-O 3.46Å; L232-I239 HydrophobicContact CD2-CD1 4.17Å; L232-I239 HydrophobicContact CD2-CG1 3.7Å; L232-F272 HydrophobicContact CD1-CB 3.87Å; L232-F272 HydrophobicContact CD1-CD1 4.46Å; L232-F272 HydrophobicContact CD1-CD2 4.26Å; L232-F272 HydrophobicContact CD1-CG 3.93Å; L232-Y274 HydrophobicContact CB-CD2 3.8Å; L232-Y274 HydrophobicContact CB-CE2 4.1Å; L232-Y274 HydrophobicContact CD1-CD2 4.36Å; L232-Y274 HydrophobicContact CD1-CG 4.35Å; L232-Y274 HydrophobicContact CD2-CD2 4.42Å; L232-Y274 HydrophobicContact CD2-CE2 4.32Å; L232-Y274 HydrophobicContact CG-CD2 4.43Å
233	L	95.2	Very high	97.7	Very high	107 Å²	107	41.3 Å²	41.3	56%	0.56	20%	0.203	S	C	*	.	H	α-helix	trans	-67.4	-31	-177.4	-67.2	177.2	0	0	0	113	K229 R230 G235	K229-L233 HydrophobicContact CG-CD1 4.16Å; K229-L233 HydrophobicContact CG-CG 4.5Å; K229-L233 WeakPolarHBondContact O-CG 3.26Å; K229-L233 PolarHBondContact O-N 3.04Å; R230-L233 PolarHBondContact O-N 2.91Å; L233-G235 VanDerWaalsContact C-N 3.32Å
234	N	95.8	Very high	97.8	Very high	103 Å²	103	34.2 Å²	34.2	55%	0.551	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.6	176.3	-68.4	-3.2	0	0	0	113.3	R230 L232 H236	R230-N234 WeakPolarHBondContact O-CB 3.41Å; R230-N234 VanDerWaalsContact O-CG 3.29Å; R230-N234 PolarHBondContact O-N 2.88Å; L232-N234 VanDerWaalsContact C-N 3.31Å; L232-N234 PolarHBondContact O-N 2.81Å; N234-H236 VanDerWaalsContact C-N 3.29Å; N234-H236 PolarHBondContact O-N 2.93Å
235	G	96.3	Very high	97.8	Very high	28 Å²	28	31.1 Å²	31.1	29%	0.289	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	19.9	-179.7	0	0	0	0	0	114.7	L231 L232 L233 T456	L231-G235 PolarHBondContact O-N 2.98Å; L232-G235 PolarHBondContact O-N 2.88Å; L232-G235 VanDerWaalsContact O-N 3.16Å; L233-G235 VanDerWaalsContact C-N 3.32Å; G235-T456 WeakPolarHBondContact O-CG2 3.47Å
236	H	98	Very high	97.8	Very high	30 Å²	30	28.9 Å²	28.9	14%	0.139	15%	0.146	C	C	.	.	S	Bend	trans	-77.9	-36.5	172.1	-77.4	-150.2	0	0	0	111.1	E201 R204 F205 L231 N234	E201-H236 PolarHBondContact O-CE1 2.93Å; E201-H236 VanDerWaalsContact O-CE1 3.27Å; R204-H236 CarbonylContact C-O 3.56Å; R204-H236 VanDerWaalsContact CA-O 3.29Å; R204-H236 WeakPolarHBondContact CA-O 3.4Å; R204-H236 VanDerWaalsContact CZ-CD2 3.5Å; R204-H236 PolarHBondContact NH2-NE2 3Å; F205-H236 PolarHBondContact N-O 3.4Å; L231-H236 HydrophobicContact CB-CB 4.42Å; L231-H236 HydrophobicContact CD2-CB 3.84Å; L231-H236 PolarHBondContact O-N 2.95Å; N234-H236 VanDerWaalsContact C-N 3.29Å; N234-H236 PolarHBondContact O-N 2.93Å
237	W	98.4	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.8	169.9	-160.3	-34.3	0	0	0	107.9	L190 T193 L194 L197 F205 W216 F228 L231 L232	L190-W237 HydrophobicContact CB-CH2 4.49Å; L190-W237 HydrophobicContact CD2-CH2 3.83Å; L190-W237 HydrophobicContact CD2-CZ2 3.53Å; T193-W237 HydrophobicContact CG2-CD2 4.26Å; T193-W237 HydrophobicContact CG2-CE3 3.96Å; T193-W237 HydrophobicContact CG2-CH2 3.59Å; T193-W237 HydrophobicContact CG2-CZ2 3.88Å; T193-W237 HydrophobicContact CG2-CZ3 3.64Å; L194-W237 HydrophobicContact CB-CZ3 4.18Å; L194-W237 HydrophobicContact CD1-CZ3 4.49Å; L197-W237 HydrophobicContact CD2-CB 3.8Å; L197-W237 HydrophobicContact CD2-CD2 4.1Å; L197-W237 HydrophobicContact CD2-CE3 3.85Å; L197-W237 HydrophobicContact CD2-CG 4.13Å; F205-W237 HydrophobicContact CD1-CD2 4.25Å; F205-W237 AromaticContact CD1-CE2 3.6Å; F205-W237 AromaticContact CD1-CZ2 3.88Å; F205-W237 HydrophobicContact CD1-CZ2 3.88Å; F205-W237 AromaticContact CD1-NE1 3.48Å; F205-W237 AromaticContact CE1-CZ2 3.95Å; F205-W237 HydrophobicContact CE1-CZ2 3.95Å; F205-W237 WeakPolarHBondContact O-CA 3.48Å; W216-W237 HydrophobicContact CH2-CH2 4.06Å; W216-W237 HydrophobicContact CH2-CZ3 4.25Å; W216-W237 HydrophobicContact CZ3-CH2 4.4Å; F228-W237 HydrophobicContact CD2-CD2 4.01Å; F228-W237 AromaticContact CD2-CE3 3.6Å; F228-W237 HydrophobicContact CD2-CE3 3.6Å; F228-W237 HydrophobicContact CD2-CH2 4.37Å; F228-W237 AromaticContact CD2-CZ3 3.79Å; F228-W237 HydrophobicContact CD2-CZ3 3.79Å; F228-W237 AromaticContact CE2-CD2 3.58Å; F228-W237 HydrophobicContact CE2-CD2 3.58Å; F228-W237 AromaticContact CE2-CE2 3.78Å; F228-W237 AromaticContact CE2-CE3 3.66Å; F228-W237 HydrophobicContact CE2-CE3 3.66Å; F228-W237 HydrophobicContact CE2-CG 4.08Å; F228-W237 HydrophobicContact CE2-CH2 4.17Å; F228-W237 HydrophobicContact CE2-CZ2 4.1Å; F228-W237 AromaticContact CE2-CZ3 3.95Å; F228-W237 HydrophobicContact CE2-CZ3 3.95Å; L231-W237 HydrophobicContact CB-CB 4.11Å; L231-W237 HydrophobicContact CD1-CE3 4.32Å; L231-W237 PolarHBondContact O-N 2.91Å; L232-W237 WeakPolarHBondContact CA-O 3.27Å; L232-W237 HydrophobicContact CD2-CB 4.12Å; L232-W237 HydrophobicContact CD2-CG 4.27Å; L232-W237 WeakPolarHBondContact CD2-O 3.46Å
238	E	98.5	Very high	97.8	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.023	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.7	175.8	-175.4	-177.5	-153.5	0	0	110.1	F205 V206 Y207 V240 T456 L457 S458	F205-E238 PolarHBondContact O-N 3.1Å; V206-E238 WeakPolarHBondContact CA-O 3.5Å; V206-E238 HydrophobicContact CG2-CB 4.21Å; Y207-E238 PolarHBondContact N-O 3.06Å; E238-V240 HydrophobicContact CG-CG1 3.79Å; E238-T456 HydrophobicContact CB-CG2 4.18Å; E238-T456 WeakPolarHBondContact OE2-CB 3.15Å; E238-L457 WeakPolarHBondContact OE2-CB 3.18Å; E238-L457 PolarHBondContact OE2-N 3.31Å; E238-S458 WeakPolarHBondContact OE1-CB 3.36Å; E238-S458 PolarHBondContact OE1-N 2.8Å; E238-S458 VanDerWaalsContact OE1-N 3.16Å; E238-S458 PolarHBondContact OE1-OG 3.24Å; E238-S458 PolarHBondContact OE2-N 3.43Å
239	I	98.4	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.6	166.7	-51.9	-56	0	0	0	108.2	Y207 L213 F228 L232 L268 Y274	Y207-I239 HydrophobicContact CD1-CD1 4.2Å; Y207-I239 HydrophobicContact CG-CD1 4.47Å; Y207-I239 CarbonylContact O-C 3.5Å; Y207-I239 VanDerWaalsContact O-CA 3.24Å; Y207-I239 WeakPolarHBondContact O-CA 3.36Å; L213-I239 HydrophobicContact CD1-CD1 3.99Å; L213-I239 HydrophobicContact CD1-CG1 4.45Å; F228-I239 HydrophobicContact CZ-CD1 4.44Å; L232-I239 HydrophobicContact CD2-CD1 4.17Å; L232-I239 HydrophobicContact CD2-CG1 3.7Å; I239-L268 HydrophobicContact CG1-CD2 4.4Å; I239-L268 HydrophobicContact CG2-CD1 4.08Å; I239-L268 HydrophobicContact CG2-CD2 4.37Å; I239-Y274 HydrophobicContact CB-CD1 4.19Å; I239-Y274 HydrophobicContact CB-CE1 3.62Å; I239-Y274 HydrophobicContact CG1-CD1 4.48Å; I239-Y274 HydrophobicContact CG1-CE1 4.22Å; I239-Y274 PolarHBondContact N-OH 3.44Å; I239-Y274 VanDerWaalsContact N-OH 3.14Å; I239-Y274 PolarHBondContact O-OH 3.47Å
240	V	98.3	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.			trans	-101	147.9	-178.9	-59.5	0	0	0	0	109.1	V206 Y207 S208 E238 G242 W280 L457	V206-V240 HydrophobicContact CG1-CB 4.23Å; V206-V240 HydrophobicContact CG1-CG1 3.61Å; V206-V240 HydrophobicContact CG1-CG2 3.53Å; V206-V240 HydrophobicContact CG2-CG1 4.46Å; Y207-V240 PolarHBondContact O-N 3.06Å; S208-V240 CarbonylContact C-O 3.45Å; S208-V240 VanDerWaalsContact CA-O 3.27Å; S208-V240 WeakPolarHBondContact CA-O 3.24Å; E238-V240 HydrophobicContact CG-CG1 3.79Å; V240-G242 PolarHBondContact O-N 2.87Å; V240-W280 HydrophobicContact CB-CB 4.08Å; V240-W280 HydrophobicContact CG2-CB 3.56Å; V240-W280 HydrophobicContact CG2-CG 4.01Å; V240-L457 HydrophobicContact CB-CD1 4.11Å; V240-L457 HydrophobicContact CG1-CD1 3.5Å; V240-L457 VanDerWaalsContact CG1-CD1 3.5Å; V240-L457 HydrophobicContact CG1-CG 4.08Å; V240-L457 HydrophobicContact CG2-CD1 4.44Å
241	S	97.9	Very high	97.9	Very high	6 Å²	6	15 Å²	15	4%	0.042	9%	0.085	C	C	.	.	S	Bend	trans	59.7	-61.2	-168.6	-61.7	0	0	0	0	113.5	G243 H265 V278 T279 W280 F300	S241-G243 PolarHBondContact O-N 3.38Å; S241-H265 PolarHBondContact O-NE2 2.67Å; S241-V278 PolarHBondContact N-O 3.41Å; S241-T279 WeakPolarHBondContact OG-CA 3.31Å; S241-T279 PolarHBondContact OG-OG1 2.91Å; S241-W280 PolarHBondContact OG-N 3.24Å; S241-W280 PolarHBondContact OG-O 3.4Å; S241-F300 WeakPolarHBondContact O-CE1 3.43Å; S241-F300 WeakPolarHBondContact O-CZ 3.5Å
242	G	97.4	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.			trans	60.2	25.8	-179.8	0	0	0	0	0	113.7	S208 V210 V240 G264 H265	S208-G242 WeakPolarHBondContact O-CA 3.32Å; S208-G242 PolarHBondContact O-N 3.12Å; V210-G242 WeakPolarHBondContact CG2-O 3.26Å; V240-G242 PolarHBondContact O-N 2.87Å; G242-G264 CarbonylContact O-C 3.59Å; G242-G264 VanDerWaalsContact O-C 3.29Å; G242-G264 WeakPolarHBondContact O-CA 3.26Å; G242-H265 PolarHBondContact O-CD2 2.59Å
243	G	98	Very high	97.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	-69.3	166.7	163.8	0	0	0	0	0	110.5	V210 S241 V245	V210-G243 WeakPolarHBondContact CB-O 3.25Å; V210-G243 WeakPolarHBondContact CG2-O 2.97Å; V210-G243 PolarHBondContact N-O 2.72Å; S241-G243 PolarHBondContact O-N 3.38Å; G243-V245 PolarHBondContact O-N 3.04Å
244	W	98.6	Very high	98	Very high	12 Å²	12	10.3 Å²	10.3	5%	0.045	6%	0.061	C	C	.	.	S	Bend	trans	-54.6	-40.6	168.2	-161.6	-106.7	0	0	0	111.3	V210 S211 D214 Q260 E263 R557	V210-W244 HydrophobicContact CB-CE3 4.28Å; V210-W244 HydrophobicContact CG1-CE3 3.9Å; V210-W244 HydrophobicContact CG1-CZ3 3.85Å; V210-W244 PolarHBondContact N-O 2.99Å; S211-W244 WeakPolarHBondContact CB-O 3.21Å; S211-W244 PolarHBondContact N-O 2.96Å; S211-W244 PolarHBondContact OG-O 2.86Å; D214-W244 HydrophobicContact CB-CH2 3.74Å; D214-W244 HydrophobicContact CB-CZ3 4.35Å; W244-Q260 HydrophobicContact CB-CB 4.07Å; W244-Q260 PolarHBondContact N-O 2.87Å; W244-E263 HydrophobicContact CD2-CG 4.33Å; W244-E263 HydrophobicContact CE3-CG 3.75Å; W244-E263 HydrophobicContact CZ3-CG 4.11Å; W244-R557 HydrophobicContact CD2-CG 4.4Å; W244-R557 HydrophobicContact CE3-CG 4.47Å; W244-R557 HydrophobicContact CH2-CB 4.38Å; W244-R557 VanDerWaalsContact CH2-CD 3.47Å; W244-R557 HydrophobicContact CH2-CG 3.65Å; W244-R557 HydrophobicContact CZ2-CB 3.75Å; W244-R557 HydrophobicContact CZ2-CG 3.52Å; W244-R557 HydrophobicContact CZ3-CG 4.12Å; W244-R557 PolarHBondContact NE1-O 3.17Å; W244-R557 VanDerWaalsContact NE1-O 3.16Å
245	V	98.7	Very high	98.2	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.012	4%	0.036	C	C	.	.	S	Bend	trans	-144.3	169.5	176.6	-56.9	0	0	0	0	111.1	P172 E209 G243 P247 Q260 G560 L561 Q563 H564	P172-V245 HydrophobicContact CG-CB 4.29Å; P172-V245 HydrophobicContact CG-CG1 3.66Å; E209-V245 WeakPolarHBondContact OE1-CA 3.32Å; E209-V245 WeakPolarHBondContact OE1-CB 2.79Å; G243-V245 PolarHBondContact O-N 3.04Å; V245-P247 VanDerWaalsContact O-CD 3.31Å; V245-P247 WeakPolarHBondContact O-CD 3.4Å; V245-Q260 VanDerWaalsContact N-OE1 3.14Å; V245-Q260 PolarHBondContact O-OE1 3.08Å; V245-G560 WeakPolarHBondContact CG2-O 3.41Å; V245-L561 HydrophobicContact CG1-CD1 4.25Å; V245-Q563 HydrophobicContact CG2-CB 4.46Å; V245-H564 HydrophobicContact CB-CB 3.96Å; V245-H564 HydrophobicContact CG1-CB 4.22Å; V245-H564 HydrophobicContact CG2-CB 3.93Å
246	M	98.2	Very high	98.3	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.015	2%	0.023	C	C	.	.			trans	-77.9	108.8	162.4	-173.1	-179.7	-52.4	0	0	109.2	E209 I282 D283 H564 H565	E209-M246 PolarHBondContact OE1-N 3.03Å; M246-I282 HydrophobicContact CE-CG1 3.85Å; M246-I282 HydrophobicContact SD-CG1 4.37Å; M246-D283 HydrophobicContact SD-CB 3.79Å; M246-D283 PolarHBondContact SD-N 3.28Å; M246-D283 VanDerWaalsContact SD-N 3.41Å; M246-H564 WeakPolarHBondContact O-CA 3.25Å; M246-H564 PolarHBondContact O-CD2 3.32Å; M246-H565 PolarHBondContact O-N 2.72Å; M246-H565 VanDerWaalsContact O-N 3.13Å
247	P	98.4	Very high	98.3	Very high	5 Å²	5	3.1 Å²	3.1	3%	0.032	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-76.4	151.5	-171.9	32	-35.4	0	0	0	112.3	V245 F261 S284 Q563	V245-P247 VanDerWaalsContact O-CD 3.31Å; V245-P247 WeakPolarHBondContact O-CD 3.4Å; P247-F261 HydrophobicContact CG-CE2 4.36Å; P247-S284 PolarHBondContact O-OG 3.38Å; P247-Q563 CarbonylContact C-O 3.26Å; P247-Q563 VanDerWaalsContact CA-O 3.23Å; P247-Q563 WeakPolarHBondContact CA-O 3.49Å
248	D	98.5	Very high	98.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.			trans	-63.6	154.2	159.1	177.1	56	0	0	0	110.3	A250 V251 T252 Q563 H565 I568 T569	D248-A250 PolarHBondContact OD1-N 3.1Å; D248-A250 WeakPolarHBondContact OD2-CA 3.39Å; D248-A250 PolarHBondContact OD2-N 3.04Å; D248-V251 WeakPolarHBondContact OD2-CG2 3.43Å; D248-V251 PolarHBondContact OD2-N 3.24Å; D248-T252 HydrophobicContact CB-CG2 3.99Å; D248-T252 WeakPolarHBondContact O-CB 3.15Å; D248-T252 WeakPolarHBondContact O-CG2 2.81Å; D248-T252 PolarHBondContact O-OG1 3.3Å; D248-Q563 PolarHBondContact N-O 3.36Å; D248-H565 HydrophobicContact CB-CB 4.27Å; D248-I568 HydrophobicContact CB-CG2 3.51Å; D248-T569 HydrophobicContact CB-CG2 3.86Å
249	E	98.2	Very high	98.3	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.005	2%	0.016	C	C	.	.	S	Bend	trans	-114.8	-3.9	-179.5	-66.2	-164.7	-146.8	0	0	113.9	S281 Q287 S288 M291 F487 N944	E249-S281 PolarHBondContact OE1-OG 3.48Å; E249-Q287 PolarHBondContact OE1-OE1 3.02Å; E249-S288 WeakPolarHBondContact O-CB 3.34Å; E249-S288 PolarHBondContact OE2-N 3Å; E249-S288 PolarHBondContact OE2-OG 2.96Å; E249-M291 HydrophobicContact CG-CB 4.39Å; E249-M291 HydrophobicContact CG-CG 4.44Å; E249-M291 WeakPolarHBondContact OE2-CB 3.3Å; E249-F487 HydrophobicContact CB-CZ 4.3Å; E249-N944 PolarHBondContact O-ND2 2.69Å
250	A	98.2	Very high	98.3	Very high	4 Å²	4	3.1 Å²	3.1	3%	0.033	2%	0.016	C	C	.	.	S	Bend	trans	-97.8	-47.3	-178	0	0	0	0	0	113.3	D248 F487 Y500 Y501 P965	D248-A250 PolarHBondContact OD1-N 3.1Å; D248-A250 WeakPolarHBondContact OD2-CA 3.39Å; D248-A250 PolarHBondContact OD2-N 3.04Å; A250-F487 HydrophobicContact CB-CE1 3.72Å; A250-F487 HydrophobicContact CB-CE2 4.44Å; A250-F487 HydrophobicContact CB-CZ 3.63Å; A250-Y500 HydrophobicContact CB-CE2 3.83Å; A250-Y500 WeakPolarHBondContact CB-OH 2.98Å; A250-Y501 HydrophobicContact CB-CD1 4.27Å; A250-Y501 HydrophobicContact CB-CE1 3.87Å; A250-P965 HydrophobicContact CB-CB 3.85Å; A250-P965 HydrophobicContact CB-CG 3.93Å
251	V	98	Very high	98.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	S	Bend	trans	-110.6	3.2	-170.3	-65	0	0	0	0	113.1	D248 Y501 R512 I568 T569 P998	D248-V251 WeakPolarHBondContact OD2-CG2 3.43Å; D248-V251 PolarHBondContact OD2-N 3.24Å; V251-Y501 HydrophobicContact CG1-CD1 4.48Å; V251-R512 PolarHBondContact O-NH2 3.01Å; V251-R512 VanDerWaalsContact O-NH2 3.12Å; V251-I568 HydrophobicContact CB-CG1 4.49Å; V251-I568 HydrophobicContact CG2-CB 4.34Å; V251-I568 HydrophobicContact CG2-CG1 3.75Å; V251-I568 HydrophobicContact CG2-CG2 3.9Å; V251-T569 HydrophobicContact CG2-CG2 4.07Å; V251-P998 HydrophobicContact CB-CB 3.58Å; V251-P998 HydrophobicContact CB-CG 3.86Å; V251-P998 HydrophobicContact CG1-CB 3.92Å; V251-P998 WeakPolarHBondContact O-CB 3.15Å; V251-P998 VanDerWaalsContact O-CG 3.22Å; V251-P998 WeakPolarHBondContact O-CG 3.48Å
252	T	98.3	Very high	98.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.			trans	-87.1	153	174.2	54	0	0	0	0	112.5	D248 I257 Q563 I568 N944 A967	D248-T252 HydrophobicContact CB-CG2 3.99Å; D248-T252 WeakPolarHBondContact O-CB 3.15Å; D248-T252 WeakPolarHBondContact O-CG2 2.81Å; D248-T252 PolarHBondContact O-OG1 3.3Å; T252-I257 WeakPolarHBondContact OG1-CD1 3.46Å; T252-Q563 HydrophobicContact CG2-CB 4.36Å; T252-I568 HydrophobicContact CG2-CG1 4.47Å; T252-I568 HydrophobicContact CG2-CG2 3.86Å; T252-N944 WeakPolarHBondContact O-CA 3.28Å; T252-N944 WeakPolarHBondContact O-CB 3.35Å; T252-N944 PolarHBondContact O-ND2 2.86Å; T252-N944 PolarHBondContact OG1-ND2 3.15Å; T252-A967 WeakPolarHBondContact O-CB 3.23Å
253	H	98.5	Very high	98.3	Very high	14 Å²	14	3.8 Å²	3.8	7%	0.065	2%	0.018	C	C	.	.			trans	-96.9	143.6	173.4	-176	-75.2	0	0	0	109.4	Y255 S256 I257 E515 C945	H253-Y255 WeakPolarHBondContact ND1-CB 3.27Å; H253-Y255 PolarHBondContact ND1-N 3.1Å; H253-Y255 PolarHBondContact O-N 3.38Å; H253-Y255 VanDerWaalsContact O-N 3.08Å; H253-S256 PolarHBondContact N-OG 2.93Å; H253-S256 PolarHBondContact O-N 3.15Å; H253-S256 PolarHBondContact O-OG 3.43Å; H253-I257 PolarHBondContact O-N 3.05Å; H253-E515 WeakPolarHBondContact CB-OE2 3.3Å; H253-E515 IonicContact CG-OE2 3.38Å; H253-C945 WeakPolarHBondContact CD2-CB 3.34Å; H253-C945 PolarHBondContact CD2-SG 3.13Å
254	Y	98.3	Very high	98.3	Very high	3 Å²	3	3.7 Å²	3.7	1%	0.012	2%	0.018	C	C	.	.	H	α-helix	trans	-53.6	-36.8	-178	71.9	-89.3	0	0	0	113.2	I257 I258 N944 C945 F946 E1103 V1105 R1132 I1212	Y254-I257 PolarHBondContact O-N 3.33Å; Y254-I258 HydrophobicContact CD2-CD1 4.01Å; Y254-I258 WeakPolarHBondContact O-CD1 3.44Å; Y254-I258 VanDerWaalsContact O-CG1 3.26Å; Y254-I258 WeakPolarHBondContact O-CG1 3.32Å; Y254-I258 PolarHBondContact O-N 3.45Å; Y254-N944 WeakPolarHBondContact CD1-O 3.35Å; Y254-N944 PolarHBondContact N-O 3.4Å; Y254-C945 HydrophobicContact CD1-CB 4.25Å; Y254-C945 HydrophobicContact CE1-CB 4.42Å; Y254-F946 HydrophobicContact CD1-CB 4.04Å; Y254-F946 HydrophobicContact CD1-CD2 4.23Å; Y254-F946 HydrophobicContact CD2-CD2 4.23Å; Y254-F946 HydrophobicContact CG-CB 4.25Å; Y254-F946 HydrophobicContact CG-CD2 4.05Å; Y254-E1103 VanDerWaalsContact OH-CD 3.25Å; Y254-E1103 PolarHBondContact OH-OE1 3.46Å; Y254-E1103 PolarHBondContact OH-OE2 2.84Å; Y254-V1105 HydrophobicContact CE2-CG1 3.9Å; Y254-V1105 HydrophobicContact CE2-CG2 4.03Å; Y254-R1132 PolarHBondContact OH-NH1 3Å; Y254-I1212 HydrophobicContact CD2-CD1 4.12Å; Y254-I1212 HydrophobicContact CE2-CD1 4.05Å
255	Y	98.2	Very high	98.2	Very high	9 Å²	9	3.6 Å²	3.6	4%	0.035	2%	0.018	C	C	.	.	H	α-helix	trans	-54.2	-51.4	172.9	172.4	-113	0	0	0	112.8	H253 I257 I258 D259 E515 R519 V1105 T1106	H253-Y255 WeakPolarHBondContact ND1-CB 3.27Å; H253-Y255 PolarHBondContact ND1-N 3.1Å; H253-Y255 PolarHBondContact O-N 3.38Å; H253-Y255 VanDerWaalsContact O-N 3.08Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 2.87Å; Y255-I258 PolarHBondContact O-N 2.66Å; Y255-D259 VanDerWaalsContact O-CB 3.3Å; Y255-D259 WeakPolarHBondContact O-CB 3.3Å; Y255-D259 PolarHBondContact O-N 2.91Å; Y255-E515 HydrophobicContact CD1-CB 4.1Å; Y255-E515 HydrophobicContact CD1-CG 4.27Å; Y255-E515 HydrophobicContact CE1-CB 4.16Å; Y255-E515 WeakPolarHBondContact CE1-O 3.46Å; Y255-R519 HydrophobicContact CE1-CB 4.43Å; Y255-R519 PolarHBondContact OH-N 3.48Å; Y255-V1105 HydrophobicContact CD2-CG1 3.89Å; Y255-T1106 HydrophobicContact CE2-CG2 4.44Å
256	S	98.4	Very high	98.1	Very high	1 Å²	1	4 Å²	4	1%	0.007	2%	0.02	C	C	.	.	H	α-helix	trans	-69.7	-33.4	-177.5	64.9	0	0	0	0	112.2	H253 D259 Q260 Q563	H253-S256 PolarHBondContact N-OG 2.93Å; H253-S256 PolarHBondContact O-N 3.15Å; H253-S256 PolarHBondContact O-OG 3.43Å; S256-D259 PolarHBondContact O-N 3.46Å; S256-Q260 WeakPolarHBondContact O-CG 3.45Å; S256-Q260 PolarHBondContact O-N 3.37Å; S256-Q260 VanDerWaalsContact O-N 3.13Å; S256-Q563 VanDerWaalsContact CB-OE1 3.31Å; S256-Q563 PolarHBondContact OG-OE1 3.04Å
257	I	98.6	Very high	98	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-59.6	-52.1	171.3	-60.7	173.5	0	0	0	110.3	T252 H253 Y254 Y255 D259 Q260 F261 M291 L294 N944	T252-I257 WeakPolarHBondContact OG1-CD1 3.46Å; H253-I257 PolarHBondContact O-N 3.05Å; Y254-I257 PolarHBondContact O-N 3.33Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 2.87Å; I257-D259 VanDerWaalsContact C-N 3.35Å; I257-D259 PolarHBondContact O-N 3.1Å; I257-Q260 WeakPolarHBondContact O-CG 3.18Å; I257-Q260 PolarHBondContact O-NE2 2.79Å; I257-F261 HydrophobicContact CG2-CD2 3.96Å; I257-F261 HydrophobicContact CG2-CE2 3.89Å; I257-F261 WeakPolarHBondContact O-CD2 3.49Å; I257-F261 PolarHBondContact O-N 3.03Å; I257-M291 HydrophobicContact CG2-SD 4.2Å; I257-L294 HydrophobicContact CB-CD1 4.23Å; I257-L294 HydrophobicContact CD1-CD1 4.24Å; I257-L294 HydrophobicContact CG2-CD1 3.96Å; I257-N944 HydrophobicContact CD1-CB 4.34Å
258	I	98.7	Very high	97.9	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.01	2%	0.018	C	C	.	.	H	α-helix	trans	-62.8	-44.1	179.5	-66.5	164.7	0	0	0	110.5	Y254 Y255 Q260 F261 I262 L294 I1130 L1181 I1212	Y254-I258 HydrophobicContact CD2-CD1 4.01Å; Y254-I258 WeakPolarHBondContact O-CD1 3.44Å; Y254-I258 VanDerWaalsContact O-CG1 3.26Å; Y254-I258 WeakPolarHBondContact O-CG1 3.32Å; Y254-I258 PolarHBondContact O-N 3.45Å; Y255-I258 PolarHBondContact O-N 2.66Å; I258-Q260 PolarHBondContact O-N 3.26Å; I258-F261 PolarHBondContact O-N 3Å; I258-I262 HydrophobicContact CG2-CD1 3.7Å; I258-I262 HydrophobicContact CG2-CG1 4.23Å; I258-I262 WeakPolarHBondContact O-CG1 3.17Å; I258-I262 PolarHBondContact O-N 2.97Å; I258-L294 HydrophobicContact CD1-CD2 3.94Å; I258-L294 HydrophobicContact CG1-CD1 4.36Å; I258-L294 HydrophobicContact CG1-CD2 4.16Å; I258-I1130 HydrophobicContact CG2-CD1 3.74Å; I258-L1181 HydrophobicContact CD1-CD1 4.03Å; I258-L1181 HydrophobicContact CG1-CD1 4.17Å; I258-L1181 HydrophobicContact CG2-CB 4.35Å; I258-I1212 HydrophobicContact CD1-CD1 3.6Å
259	D	98.4	Very high	97.7	Very high	2 Å²	2	4 Å²	4	1%	0.011	2%	0.019	C	C	.	.	H	α-helix	trans	-57.7	-46.9	-176.9	-166	77.4	0	0	0	112.5	Y255 S256 I257 I262 E263 L518 K1108	Y255-D259 VanDerWaalsContact O-CB 3.3Å; Y255-D259 WeakPolarHBondContact O-CB 3.3Å; Y255-D259 PolarHBondContact O-N 2.91Å; S256-D259 PolarHBondContact O-N 3.46Å; I257-D259 VanDerWaalsContact C-N 3.35Å; I257-D259 PolarHBondContact O-N 3.1Å; D259-I262 WeakPolarHBondContact O-CB 3.47Å; D259-I262 PolarHBondContact O-N 2.86Å; D259-E263 PolarHBondContact O-N 3.1Å; D259-L518 WeakPolarHBondContact OD2-CD2 3.11Å; D259-K1108 WeakPolarHBondContact OD1-CE 3.47Å; D259-K1108 IonicContact OD1-NZ 3.28Å; D259-K1108 PolarHBondContact OD1-NZ 3.11Å; D259-K1108 IonicContact OD2-NZ 3.17Å
260	Q	98.4	Very high	97.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-72.7	-29.2	-179.2	74.4	74.1	37.9	0	0	112.8	W244 V245 S256 I257 I258 G264	W244-Q260 HydrophobicContact CB-CB 4.07Å; W244-Q260 PolarHBondContact N-O 2.87Å; V245-Q260 VanDerWaalsContact N-OE1 3.14Å; V245-Q260 PolarHBondContact O-OE1 3.08Å; S256-Q260 WeakPolarHBondContact O-CG 3.45Å; S256-Q260 PolarHBondContact O-N 3.37Å; S256-Q260 VanDerWaalsContact O-N 3.13Å; I257-Q260 WeakPolarHBondContact O-CG 3.18Å; I257-Q260 PolarHBondContact O-NE2 2.79Å; I258-Q260 PolarHBondContact O-N 3.26Å; Q260-G264 PolarHBondContact O-N 3.33Å
261	F	98.5	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.5	-38.9	170.5	-85.7	-66.1	0	0	0	111.9	P247 I257 I258 G264 H265 M291 L298 F300	P247-F261 HydrophobicContact CG-CE2 4.36Å; I257-F261 HydrophobicContact CG2-CD2 3.96Å; I257-F261 HydrophobicContact CG2-CE2 3.89Å; I257-F261 WeakPolarHBondContact O-CD2 3.49Å; I257-F261 PolarHBondContact O-N 3.03Å; I258-F261 PolarHBondContact O-N 3Å; F261-G264 PolarHBondContact O-N 3.47Å; F261-H265 AromaticContact CD1-NE2 3.86Å; F261-H265 VanDerWaalsContact O-CB 3.29Å; F261-H265 WeakPolarHBondContact O-CB 3.49Å; F261-H265 PolarHBondContact O-CD2 3Å; F261-H265 PolarHBondContact O-N 3.4Å; F261-M291 HydrophobicContact CE2-CE 3.85Å; F261-M291 HydrophobicContact CZ-CE 3.91Å; F261-L298 HydrophobicContact CB-CD1 4.11Å; F261-L298 HydrophobicContact CB-CD2 3.74Å; F261-L298 HydrophobicContact CD1-CD1 4.36Å; F261-L298 HydrophobicContact CD2-CD1 3.47Å; F261-L298 VanDerWaalsContact CD2-CD1 3.47Å; F261-L298 HydrophobicContact CE2-CD1 3.97Å; F261-L298 HydrophobicContact CG-CD1 3.73Å; F261-L298 HydrophobicContact CG-CD2 4.27Å; F261-F300 HydrophobicContact CD1-CE2 4.47Å; F261-F300 HydrophobicContact CD1-CZ 4.32Å; F261-F300 HydrophobicContact CE1-CE2 4.22Å; F261-F300 HydrophobicContact CE1-CZ 4.05Å
262	I	97.4	Very high	97.1	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-57.9	-50.5	172.8	-70.3	165.4	0	0	0	109.6	I258 D259 H265 H266 F1110 I1130 L1181	I258-I262 HydrophobicContact CG2-CD1 3.7Å; I258-I262 HydrophobicContact CG2-CG1 4.23Å; I258-I262 WeakPolarHBondContact O-CG1 3.17Å; I258-I262 PolarHBondContact O-N 2.97Å; D259-I262 WeakPolarHBondContact O-CB 3.47Å; D259-I262 PolarHBondContact O-N 2.86Å; I262-H265 PolarHBondContact O-N 2.87Å; I262-H266 VanDerWaalsContact O-CB 3.32Å; I262-H266 WeakPolarHBondContact O-CB 3.22Å; I262-H266 PolarHBondContact O-CD2 2.93Å; I262-H266 VanDerWaalsContact O-CD2 3.23Å; I262-H266 PolarHBondContact O-N 3.3Å; I262-F1110 HydrophobicContact CG2-CE1 3.61Å; I262-F1110 HydrophobicContact CG2-CZ 3.99Å; I262-I1130 HydrophobicContact CD1-CD1 4.13Å; I262-L1181 WeakPolarHBondContact CG1-O 3.1Å
263	E	97.7	Very high	96.8	Very high	17 Å²	17	16.3 Å²	16.3	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-49.9	180	-177.4	65.8	-165.4	0	0	111.4	W244 D259 W267 R556 R557	W244-E263 HydrophobicContact CD2-CG 4.33Å; W244-E263 HydrophobicContact CE3-CG 3.75Å; W244-E263 HydrophobicContact CZ3-CG 4.11Å; D259-E263 PolarHBondContact O-N 3.1Å; E263-W267 VanDerWaalsContact O-CB 3.31Å; E263-W267 WeakPolarHBondContact O-CB 3.28Å; E263-W267 PolarHBondContact O-N 2.86Å; E263-R556 HydrophobicContact CG-CB 4.5Å; E263-R556 WeakPolarHBondContact OE2-CD 3.48Å; E263-R557 HydrophobicContact CG-CG 4.04Å; E263-R557 WeakPolarHBondContact OE1-CG 3.47Å; E263-R557 IonicContact OE1-CZ 3.81Å; E263-R557 IonicContact OE1-NE 3.19Å; E263-R557 PolarHBondContact OE1-NE 2.88Å; E263-R557 IonicContact OE1-NH2 2.8Å
264	G	97.9	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-45.5	179.6	0	0	0	0	0	113.5	G242 Q260 F261 W267 L268	G242-G264 CarbonylContact O-C 3.59Å; G242-G264 VanDerWaalsContact O-C 3.29Å; G242-G264 WeakPolarHBondContact O-CA 3.26Å; Q260-G264 PolarHBondContact O-N 3.33Å; F261-G264 PolarHBondContact O-N 3.47Å; G264-W267 WeakPolarHBondContact O-CB 3.42Å; G264-W267 PolarHBondContact O-N 3.49Å; G264-L268 WeakPolarHBondContact O-CG 3.43Å; G264-L268 PolarHBondContact O-N 3.33Å
265	H	97.3	Very high	96.3	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-71	-38.8	-178.8	-78.2	-129.9	0	0	0	112.4	S241 G242 F261 I262 W267 L268 L269 F300 T1182 I1184	S241-H265 PolarHBondContact O-NE2 2.67Å; G242-H265 PolarHBondContact O-CD2 2.59Å; F261-H265 AromaticContact CD1-NE2 3.86Å; F261-H265 VanDerWaalsContact O-CB 3.29Å; F261-H265 WeakPolarHBondContact O-CB 3.49Å; F261-H265 PolarHBondContact O-CD2 3Å; F261-H265 PolarHBondContact O-N 3.4Å; I262-H265 PolarHBondContact O-N 2.87Å; H265-W267 VanDerWaalsContact C-N 3.3Å; H265-W267 PolarHBondContact O-N 2.83Å; H265-L268 PolarHBondContact O-N 3.28Å; H265-L269 WeakPolarHBondContact O-CB 3.46Å; H265-L269 PolarHBondContact O-N 2.8Å; H265-F300 AromaticContact CE1-CZ 3.74Å; H265-F300 AromaticContact NE2-CZ 3.67Å; H265-T1182 HydrophobicContact CB-CG2 4.08Å; H265-I1184 HydrophobicContact CB-CD1 3.67Å
266	H	95.3	Very high	96.2	Very high	11 Å²	11	21 Å²	21	5%	0.051	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-38.5	174.2	-87.5	-106.1	0	0	0	111.4	I262 L269 E270 F1110 N1112 T1182	I262-H266 VanDerWaalsContact O-CB 3.32Å; I262-H266 WeakPolarHBondContact O-CB 3.22Å; I262-H266 PolarHBondContact O-CD2 2.93Å; I262-H266 VanDerWaalsContact O-CD2 3.23Å; I262-H266 PolarHBondContact O-N 3.3Å; H266-L269 PolarHBondContact O-N 3.36Å; H266-E270 WeakPolarHBondContact O-CB 3.35Å; H266-E270 PolarHBondContact O-N 3.4Å; H266-F1110 AromaticContact CE1-CD1 3.22Å; H266-F1110 WeakPolarHBondContact CE1-CD1 3.42Å; H266-F1110 AromaticContact CE1-CE1 3.48Å; H266-F1110 VanDerWaalsContact CE1-CE1 3.48Å; H266-F1110 WeakPolarHBondContact CE1-CE1 3.01Å; H266-F1110 AromaticContact CE1-CG 3.65Å; H266-F1110 AromaticContact ND1-CD1 3.53Å; H266-F1110 AromaticContact NE2-CD1 3.75Å; H266-F1110 AromaticContact NE2-CE1 3.49Å; H266-F1110 WeakPolarHBondContact NE2-CE1 3.42Å; H266-F1110 AromaticContact NE2-CZ 3.98Å; H266-N1112 PolarHBondContact O-ND2 3.37Å; H266-T1182 PolarHBondContact CD2-O 3.43Å; H266-T1182 PolarHBondContact NE2-O 2.93Å
267	W	96.5	Very high	96	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-46.7	175.5	-175.2	100.3	0	0	0	111.7	V210 L213 D214 I217 E263 G264 H265 L269 E270 H271 F272	V210-W267 HydrophobicContact CG1-CB 3.99Å; V210-W267 HydrophobicContact CG1-CD2 3.51Å; V210-W267 HydrophobicContact CG1-CE3 3.34Å; V210-W267 HydrophobicContact CG1-CG 3.78Å; V210-W267 HydrophobicContact CG1-CZ3 4.01Å; L213-W267 HydrophobicContact CB-CH2 3.5Å; L213-W267 VanDerWaalsContact CB-CH2 3.5Å; L213-W267 HydrophobicContact CB-CZ2 4.38Å; L213-W267 HydrophobicContact CB-CZ3 3.72Å; L213-W267 HydrophobicContact CD1-CZ3 4.23Å; D214-W267 VanDerWaalsContact CA-CZ2 3.49Å; D214-W267 HydrophobicContact CB-CZ2 4.13Å; D214-W267 PolarHBondContact OD1-NE1 3.03Å; I217-W267 HydrophobicContact CB-CZ2 4.38Å; I217-W267 HydrophobicContact CG2-CH2 4.46Å; I217-W267 HydrophobicContact CG2-CZ2 3.84Å; E263-W267 VanDerWaalsContact O-CB 3.31Å; E263-W267 WeakPolarHBondContact O-CB 3.28Å; E263-W267 PolarHBondContact O-N 2.86Å; G264-W267 WeakPolarHBondContact O-CB 3.42Å; G264-W267 PolarHBondContact O-N 3.49Å; H265-W267 VanDerWaalsContact C-N 3.3Å; H265-W267 PolarHBondContact O-N 2.83Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.17Å; W267-E270 PolarHBondContact O-N 3.01Å; W267-H271 AromaticContact CD1-CE1 3.49Å; W267-H271 VanDerWaalsContact CD1-CE1 3.49Å; W267-H271 AromaticContact CD1-ND1 3.74Å; W267-H271 AromaticContact CD2-ND1 3.62Å; W267-H271 AromaticContact CE2-CE1 3.64Å; W267-H271 AromaticContact CE2-ND1 3.53Å; W267-H271 AromaticContact CG-CE1 3.95Å; W267-H271 AromaticContact CG-ND1 3.73Å; W267-H271 AromaticContact NE1-CE1 3.3Å; W267-H271 PolarHBondContact NE1-CE1 3.34Å; W267-H271 VanDerWaalsContact NE1-CE1 3.3Å; W267-H271 AromaticContact NE1-ND1 3.64Å; W267-H271 AromaticContact NE1-NE2 3.94Å; W267-H271 PolarHBondContact O-N 2.81Å; W267-H271 PolarHBondContact O-ND1 2.77Å; W267-F272 AromaticContact CH2-CE2 3.57Å; W267-F272 HydrophobicContact CH2-CE2 3.57Å; W267-F272 HydrophobicContact CH2-CZ 4.32Å; W267-F272 HydrophobicContact CZ3-CD2 4.12Å; W267-F272 AromaticContact CZ3-CE2 3.58Å; W267-F272 HydrophobicContact CZ3-CE2 3.58Å
268	L	97	Very high	96	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-41.2	176.9	-73.7	168.3	0	0	0	112.2	V210 L213 I239 G264 H265 F272 D273 Y274 P276	V210-L268 HydrophobicContact CG2-CD1 3.77Å; V210-L268 HydrophobicContact CG2-CD2 4.19Å; V210-L268 HydrophobicContact CG2-CG 3.79Å; L213-L268 HydrophobicContact CD1-CD2 4.38Å; I239-L268 HydrophobicContact CG1-CD2 4.4Å; I239-L268 HydrophobicContact CG2-CD1 4.08Å; I239-L268 HydrophobicContact CG2-CD2 4.37Å; G264-L268 WeakPolarHBondContact O-CG 3.43Å; G264-L268 PolarHBondContact O-N 3.33Å; H265-L268 PolarHBondContact O-N 3.28Å; L268-F272 WeakPolarHBondContact O-CA 3.22Å; L268-F272 PolarHBondContact O-N 2.85Å; L268-D273 PolarHBondContact O-N 2.69Å; L268-Y274 HydrophobicContact CD1-CD1 4.48Å; L268-Y274 PolarHBondContact O-N 3.07Å; L268-P276 HydrophobicContact CD1-CG 3.74Å
269	L	94.3	Very high	95.9	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-46.5	176.3	-177.9	70.1	0	0	0	111.3	H265 H266 W267 D273 K1114 I1115 I1184	H265-L269 WeakPolarHBondContact O-CB 3.46Å; H265-L269 PolarHBondContact O-N 2.8Å; H266-L269 PolarHBondContact O-N 3.36Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.17Å; L269-D273 WeakPolarHBondContact CD1-OD1 3.47Å; L269-D273 WeakPolarHBondContact O-CA 3.34Å; L269-D273 PolarHBondContact O-N 2.87Å; L269-K1114 HydrophobicContact CD1-CB 4.47Å; L269-K1114 HydrophobicContact CD2-CB 4.21Å; L269-K1114 HydrophobicContact CG-CB 3.94Å; L269-I1115 HydrophobicContact CD2-CG1 4.39Å; L269-I1184 HydrophobicContact CB-CD1 4.3Å; L269-I1184 HydrophobicContact CD2-CD1 4.16Å; L269-I1184 HydrophobicContact CD2-CG1 4.27Å; L269-I1184 HydrophobicContact CD2-CG2 3.86Å
270	E	92.2	Very high	95.9	Very high	99 Å²	99	23.9 Å²	23.9	46%	0.463	11%	0.112	S	C	.	.	H	α-helix	trans	-61.6	-46.8	-177.8	-174.4	167	-177.3	0	0	112.1	H266 W267	H266-E270 WeakPolarHBondContact O-CB 3.35Å; H266-E270 PolarHBondContact O-N 3.4Å; W267-E270 PolarHBondContact O-N 3.01Å
271	H	94	Very high	95.8	Very high	77 Å²	77	24.1 Å²	24.1	36%	0.356	11%	0.114	S	C	.	.	H	α-helix	trans	-84.5	-37.3	-173.8	-65.3	83.2	0	0	0	113	W267	W267-H271 AromaticContact CD1-CE1 3.49Å; W267-H271 VanDerWaalsContact CD1-CE1 3.49Å; W267-H271 AromaticContact CD1-ND1 3.74Å; W267-H271 AromaticContact CD2-ND1 3.62Å; W267-H271 AromaticContact CE2-CE1 3.64Å; W267-H271 AromaticContact CE2-ND1 3.53Å; W267-H271 AromaticContact CG-CE1 3.95Å; W267-H271 AromaticContact CG-ND1 3.73Å; W267-H271 AromaticContact NE1-CE1 3.3Å; W267-H271 PolarHBondContact NE1-CE1 3.34Å; W267-H271 VanDerWaalsContact NE1-CE1 3.3Å; W267-H271 AromaticContact NE1-ND1 3.64Å; W267-H271 AromaticContact NE1-NE2 3.94Å; W267-H271 PolarHBondContact O-N 2.81Å; W267-H271 PolarHBondContact O-ND1 2.77Å
272	F	95.1	Very high	95.7	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-129	-4.9	-168.5	-54.9	-63.2	0	0	0	115.6	I217 F228 K229 L232 W267 L268 Y274	I217-F272 HydrophobicContact CD1-CE1 3.99Å; I217-F272 HydrophobicContact CD1-CZ 3.52Å; I217-F272 HydrophobicContact CG1-CZ 3.92Å; F228-F272 HydrophobicContact CD1-CD1 4.03Å; F228-F272 AromaticContact CD1-CE1 3.51Å; F228-F272 HydrophobicContact CD1-CE1 3.51Å; F228-F272 HydrophobicContact CD1-CE2 4.08Å; F228-F272 AromaticContact CD1-CZ 3.53Å; F228-F272 HydrophobicContact CD1-CZ 3.53Å; F228-F272 HydrophobicContact CE1-CD1 4.29Å; F228-F272 HydrophobicContact CE1-CD2 4.02Å; F228-F272 AromaticContact CE1-CE1 3.9Å; F228-F272 HydrophobicContact CE1-CE1 3.9Å; F228-F272 AromaticContact CE1-CE2 3.58Å; F228-F272 HydrophobicContact CE1-CE2 3.58Å; F228-F272 HydrophobicContact CE1-CG 4.35Å; F228-F272 AromaticContact CE1-CZ 3.52Å; F228-F272 HydrophobicContact CE1-CZ 3.52Å; K229-F272 HydrophobicContact CB-CD1 4.12Å; K229-F272 VanDerWaalsContact CE-O 3.28Å; K229-F272 WeakPolarHBondContact CE-O 3.39Å; L232-F272 HydrophobicContact CD1-CB 3.87Å; L232-F272 HydrophobicContact CD1-CD1 4.46Å; L232-F272 HydrophobicContact CD1-CD2 4.26Å; L232-F272 HydrophobicContact CD1-CG 3.93Å; W267-F272 AromaticContact CH2-CE2 3.57Å; W267-F272 HydrophobicContact CH2-CE2 3.57Å; W267-F272 HydrophobicContact CH2-CZ 4.32Å; W267-F272 HydrophobicContact CZ3-CD2 4.12Å; W267-F272 AromaticContact CZ3-CE2 3.58Å; W267-F272 HydrophobicContact CZ3-CE2 3.58Å; L268-F272 WeakPolarHBondContact O-CA 3.22Å; L268-F272 PolarHBondContact O-N 2.85Å; F272-Y274 PolarHBondContact O-N 2.94Å
273	D	92	Very high	95.7	Very high	83 Å²	83	24.2 Å²	24.2	44%	0.444	11%	0.114	S	C	.	.			trans	55.7	35.7	-170.8	-161.8	29	0	0	0	112	L268 L269	L268-D273 PolarHBondContact O-N 2.69Å; L269-D273 WeakPolarHBondContact CD1-OD1 3.47Å; L269-D273 WeakPolarHBondContact O-CA 3.34Å; L269-D273 PolarHBondContact O-N 2.87Å
274	Y	94.2	Very high	95.7	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.11	11%	0.11	C	C	.	.			trans	-106.3	147.2	-175.2	-173	-93.2	0	0	0	111.9	L232 I239 L268 F272 P276	L232-Y274 HydrophobicContact CB-CD2 3.8Å; L232-Y274 HydrophobicContact CB-CE2 4.1Å; L232-Y274 HydrophobicContact CD1-CD2 4.36Å; L232-Y274 HydrophobicContact CD1-CG 4.35Å; L232-Y274 HydrophobicContact CD2-CD2 4.42Å; L232-Y274 HydrophobicContact CD2-CE2 4.32Å; L232-Y274 HydrophobicContact CG-CD2 4.43Å; I239-Y274 HydrophobicContact CB-CD1 4.19Å; I239-Y274 HydrophobicContact CB-CE1 3.62Å; I239-Y274 HydrophobicContact CG1-CD1 4.48Å; I239-Y274 HydrophobicContact CG1-CE1 4.22Å; I239-Y274 PolarHBondContact N-OH 3.44Å; I239-Y274 VanDerWaalsContact N-OH 3.14Å; I239-Y274 PolarHBondContact O-OH 3.47Å; L268-Y274 HydrophobicContact CD1-CD1 4.48Å; L268-Y274 PolarHBondContact O-N 3.07Å; F272-Y274 PolarHBondContact O-N 2.94Å; Y274-P276 HydrophobicContact CD1-CG 4.43Å; Y274-P276 HydrophobicContact CE1-CG 4.15Å
275	R	93.4	Very high	95.6	Very high	84 Å²	84	23.5 Å²	23.5	32%	0.317	11%	0.111	S	C	.	.			trans	-138	116.6	177.7	-63.3	-177.5	-174.6	-154.6	4.4	110.7	P1185	R275-P1185 PolarHBondContact NH1-O 3.2Å; R275-P1185 PolarHBondContact NH2-O 3.27Å
276	P	95.9	Very high	95.6	Very high	11 Å²	11	23.1 Å²	23.1	7%	0.071	11%	0.109	C	C	.	.			trans	-58.9	144.3	172.2	-25	35	0	0	0	112.4	L268 Y274 F300	L268-P276 HydrophobicContact CD1-CG 3.74Å; Y274-P276 HydrophobicContact CD1-CG 4.43Å; Y274-P276 HydrophobicContact CE1-CG 4.15Å; P276-F300 HydrophobicContact CB-CE1 3.82Å
277	N	94	Very high	95.7	Very high	61 Å²	61	22.6 Å²	22.6	33%	0.326	11%	0.107	S	C	.	.			trans	-117.5	-26.3	178.5	175.7	53.9	0	0	0	113.7	F300 S301	N277-F300 WeakPolarHBondContact O-CA 3.47Å; N277-S301 PolarHBondContact O-N 2.99Å; N277-S301 WeakPolarHBondContact OD1-CB 3.43Å; N277-S301 PolarHBondContact OD1-OG 3.05Å
278	V	98.1	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.2	-179.8	-179.7	0	0	0	0	108.8	S241 L457 F461	S241-V278 PolarHBondContact N-O 3.41Å; V278-L457 HydrophobicContact CB-CB 4.39Å; V278-L457 HydrophobicContact CG1-CB 4.07Å; V278-L457 HydrophobicContact CG1-CD1 3.92Å; V278-L457 HydrophobicContact CG2-CB 4.4Å; V278-F461 HydrophobicContact CG1-CD2 4.11Å; V278-F461 HydrophobicContact CG1-CE2 3.68Å; V278-F461 HydrophobicContact CG2-CD2 3.86Å; V278-F461 HydrophobicContact CG2-CE2 4.29Å
279	T	97.4	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.6	170.1	179.1	0	0	0	0	111.7	S241 A295 F300 Q302 M303 I304	S241-T279 WeakPolarHBondContact OG-CA 3.31Å; S241-T279 PolarHBondContact OG-OG1 2.91Å; T279-A295 HydrophobicContact CG2-CB 3.84Å; T279-F300 HydrophobicContact CG2-CB 4.16Å; T279-F300 HydrophobicContact CG2-CD2 4.1Å; T279-F300 HydrophobicContact CG2-CG 4.03Å; T279-Q302 PolarHBondContact N-O 2.9Å; T279-M303 HydrophobicContact CG2-CB 3.67Å; T279-M303 HydrophobicContact CG2-CG 3.67Å; T279-M303 HydrophobicContact CG2-SD 4.41Å; T279-M303 CarbonylContact O-C 3.59Å; T279-M303 WeakPolarHBondContact O-CA 3.19Å; T279-I304 PolarHBondContact O-N 3.01Å
280	W	96.8	Very high	95.8	Very high	5 Å²	5	22.4 Å²	22.4	2%	0.019	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	100.7	-173.4	-177	-94.8	0	0	0	108.5	F167 V240 S241 I282 I304 F343 L413 P415 L457	F167-W280 HydrophobicContact CD2-CZ2 4.27Å; F167-W280 HydrophobicContact CE2-CZ2 4.32Å; F167-W280 HydrophobicContact CG-CZ2 4.38Å; F167-W280 HydrophobicContact CZ-CZ2 4.47Å; V240-W280 HydrophobicContact CB-CB 4.08Å; V240-W280 HydrophobicContact CG2-CB 3.56Å; V240-W280 HydrophobicContact CG2-CG 4.01Å; S241-W280 PolarHBondContact OG-N 3.24Å; S241-W280 PolarHBondContact OG-O 3.4Å; W280-I282 HydrophobicContact CD2-CG2 3.8Å; W280-I282 VanDerWaalsContact CE2-CG2 3.46Å; W280-I282 HydrophobicContact CE3-CG2 4.4Å; W280-I282 HydrophobicContact CG-CG2 4.13Å; W280-I282 HydrophobicContact CZ2-CD1 4.12Å; W280-I282 HydrophobicContact CZ2-CG2 3.9Å; W280-I282 VanDerWaalsContact NE1-CG1 3.26Å; W280-I304 HydrophobicContact CD2-CG2 4.5Å; W280-I304 HydrophobicContact CE3-CB 3.68Å; W280-I304 HydrophobicContact CE3-CD1 3.69Å; W280-I304 HydrophobicContact CE3-CG1 4.09Å; W280-I304 HydrophobicContact CE3-CG2 3.67Å; W280-I304 HydrophobicContact CZ3-CB 4.17Å; W280-I304 HydrophobicContact CZ3-CD1 3.6Å; W280-I304 HydrophobicContact CZ3-CG1 4.4Å; W280-I304 HydrophobicContact CZ3-CG2 3.74Å; W280-F343 AromaticContact CH2-CE2 3.9Å; W280-F343 HydrophobicContact CH2-CE2 3.9Å; W280-F343 AromaticContact CH2-CZ 3.81Å; W280-F343 HydrophobicContact CH2-CZ 3.81Å; W280-F343 HydrophobicContact CZ2-CE2 4.39Å; W280-F343 HydrophobicContact CZ3-CE2 4.13Å; W280-F343 AromaticContact CZ3-CZ 3.98Å; W280-F343 HydrophobicContact CZ3-CZ 3.98Å; W280-L413 HydrophobicContact CZ3-CD2 4.46Å; W280-P415 HydrophobicContact CH2-CB 4.14Å; W280-P415 HydrophobicContact CH2-CG 3.9Å; W280-P415 HydrophobicContact CZ2-CB 4.42Å; W280-L457 HydrophobicContact CB-CD1 4.42Å; W280-L457 HydrophobicContact CD2-CD1 3.96Å; W280-L457 HydrophobicContact CE3-CD1 3.16Å; W280-L457 HydrophobicContact CE3-CD2 3.9Å; W280-L457 HydrophobicContact CE3-CG 4.14Å; W280-L457 HydrophobicContact CH2-CD2 4.06Å; W280-L457 HydrophobicContact CZ3-CD1 3.59Å; W280-L457 HydrophobicContact CZ3-CD2 3.32Å; W280-L457 HydrophobicContact CZ3-CG 4.07Å
281	S	97.2	Very high	96.1	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.028	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	70.4	180	-176.2	0	0	0	0	109.2	E249 S284 Q287 I304 I305	E249-S281 PolarHBondContact OE1-OG 3.48Å; S281-S284 PolarHBondContact OG-OG 3.14Å; S281-Q287 PolarHBondContact O-NE2 2.94Å; S281-Q287 VanDerWaalsContact O-NE2 3.13Å; S281-Q287 PolarHBondContact OG-NE2 3.46Å; S281-Q287 PolarHBondContact OG-OE1 2.75Å; S281-I304 PolarHBondContact N-O 3.4Å; S281-I305 WeakPolarHBondContact O-CA 3.26Å
282	I	97.1	Very high	96.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.			trans	-90.6	-22.3	-174.3	56.9	163.5	0	0	0	113.4	F167 M246 W280 I304 N306 F343 Y348	F167-I282 HydrophobicContact CE2-CD1 3.76Å; F167-I282 HydrophobicContact CZ-CD1 4.31Å; M246-I282 HydrophobicContact CE-CG1 3.85Å; M246-I282 HydrophobicContact SD-CG1 4.37Å; W280-I282 HydrophobicContact CD2-CG2 3.8Å; W280-I282 VanDerWaalsContact CE2-CG2 3.46Å; W280-I282 HydrophobicContact CE3-CG2 4.4Å; W280-I282 HydrophobicContact CG-CG2 4.13Å; W280-I282 HydrophobicContact CZ2-CD1 4.12Å; W280-I282 HydrophobicContact CZ2-CG2 3.9Å; W280-I282 VanDerWaalsContact NE1-CG1 3.26Å; I282-I304 HydrophobicContact CG2-CG2 4.44Å; I282-N306 HydrophobicContact CB-CB 4.13Å; I282-N306 HydrophobicContact CG2-CB 4.34Å; I282-N306 WeakPolarHBondContact O-CB 3.34Å; I282-F343 HydrophobicContact CG2-CD2 4.36Å; I282-F343 HydrophobicContact CG2-CE2 4.01Å; I282-Y348 HydrophobicContact CB-CD1 4.03Å; I282-Y348 HydrophobicContact CB-CG 4.37Å; I282-Y348 HydrophobicContact CD1-CD1 3.81Å; I282-Y348 HydrophobicContact CD1-CD2 3.82Å; I282-Y348 HydrophobicContact CD1-CE1 4.28Å; I282-Y348 HydrophobicContact CD1-CE2 4.29Å; I282-Y348 HydrophobicContact CD1-CG 3.56Å; I282-Y348 HydrophobicContact CG1-CD1 4.12Å; I282-Y348 HydrophobicContact CG1-CG 4.34Å
283	D	96.6	Very high	96.4	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.027	7%	0.066	C	C	.	.	S	Bend	trans	-117.3	-5.2	-168	-153.3	18	0	0	0	115.2	H169 M246 F285 R307 Y348 H565	H169-D283 IonicContact CD2-OD2 3.4Å; H169-D283 IonicContact NE2-OD2 2.76Å; H169-D283 PolarHBondContact NE2-OD2 3.37Å; H169-D283 VanDerWaalsContact NE2-OD2 3.12Å; M246-D283 HydrophobicContact SD-CB 3.79Å; M246-D283 PolarHBondContact SD-N 3.28Å; M246-D283 VanDerWaalsContact SD-N 3.41Å; D283-F285 VanDerWaalsContact O-CD1 3.26Å; D283-F285 WeakPolarHBondContact O-CD1 3.24Å; D283-F285 VanDerWaalsContact O-CE1 3.26Å; D283-F285 WeakPolarHBondContact O-CE1 2.78Å; D283-F285 PolarHBondContact O-N 3.33Å; D283-R307 WeakPolarHBondContact O-CD 3.47Å; D283-R307 PolarHBondContact O-NE 3.22Å; D283-R307 IonicContact OD1-CZ 3.75Å; D283-R307 IonicContact OD1-NE 2.75Å; D283-R307 PolarHBondContact OD1-NE 2.84Å; D283-R307 IonicContact OD1-NH2 3.98Å; D283-R307 PolarHBondContact OD1-NH2 2.88Å; D283-Y348 HydrophobicContact CB-CE1 3.92Å; D283-Y348 WeakPolarHBondContact OD1-CE1 3.38Å; D283-Y348 PolarHBondContact OD1-OH 2.79Å; D283-Y348 PolarHBondContact OD2-OH 3.48Å; D283-H565 VanDerWaalsContact CG-CE1 3.44Å; D283-H565 IonicContact OD2-CE1 3.28Å; D283-H565 PolarHBondContact OD2-CE1 2.95Å; D283-H565 IonicContact OD2-NE2 3.13Å; D283-H565 PolarHBondContact OD2-NE2 2.93Å; D283-H565 VanDerWaalsContact OD2-NE2 3.08Å
284	S	96.9	Very high	96.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-64.7	133.7	170.9	-44.1	0	0	0	0	111.2	P247 S281 G286 R307	P247-S284 PolarHBondContact O-OG 3.38Å; S281-S284 PolarHBondContact OG-OG 3.14Å; S284-G286 CarbonylContact C-O 3.5Å; S284-G286 PolarHBondContact O-N 2.87Å; S284-R307 VanDerWaalsContact O-CB 3.26Å; S284-R307 WeakPolarHBondContact O-CB 3.43Å
285	F	96.8	Very high	96.9	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.013	4%	0.04	C	C	.	.	S	Bend	trans	-76.7	57.7	-168.8	-46.8	-38.9	0	0	0	114.9	D283 Y489 W497 Y500 H565 T569 T571 Y854	D283-F285 VanDerWaalsContact O-CD1 3.26Å; D283-F285 WeakPolarHBondContact O-CD1 3.24Å; D283-F285 VanDerWaalsContact O-CE1 3.26Å; D283-F285 WeakPolarHBondContact O-CE1 2.78Å; D283-F285 PolarHBondContact O-N 3.33Å; F285-Y489 HydrophobicContact CB-CD1 4.47Å; F285-W497 HydrophobicContact CB-CE3 3.93Å; F285-W497 AromaticContact CD1-CE3 3.68Å; F285-W497 HydrophobicContact CD1-CE3 3.68Å; F285-W497 AromaticContact CD1-CZ3 3.48Å; F285-W497 HydrophobicContact CD1-CZ3 3.48Å; F285-W497 VanDerWaalsContact CD1-CZ3 3.48Å; F285-W497 HydrophobicContact CD2-CE3 4.18Å; F285-W497 HydrophobicContact CD2-CZ3 4.43Å; F285-W497 HydrophobicContact CE1-CE3 4.31Å; F285-W497 AromaticContact CE1-CZ3 3.71Å; F285-W497 HydrophobicContact CE1-CZ3 3.71Å; F285-W497 AromaticContact CG-CE3 3.64Å; F285-W497 HydrophobicContact CG-CE3 3.64Å; F285-W497 AromaticContact CG-CZ3 3.91Å; F285-W497 HydrophobicContact CG-CZ3 3.91Å; F285-W497 HydrophobicContact CZ-CZ3 4.29Å; F285-Y500 HydrophobicContact CB-CD1 4.36Å; F285-Y500 HydrophobicContact CB-CE1 3.5Å; F285-Y500 AromaticContact CD2-CD1 3.92Å; F285-Y500 HydrophobicContact CD2-CD1 3.92Å; F285-Y500 HydrophobicContact CD2-CD2 4.45Å; F285-Y500 AromaticContact CD2-CE1 3.79Å; F285-Y500 HydrophobicContact CD2-CE1 3.79Å; F285-Y500 HydrophobicContact CD2-CE2 4.31Å; F285-Y500 HydrophobicContact CD2-CG 4.24Å; F285-Y500 AromaticContact CD2-CZ 3.98Å; F285-Y500 HydrophobicContact CG-CE1 4.12Å; F285-Y500 PolarHBondContact O-OH 2.75Å; F285-Y500 VanDerWaalsContact O-OH 3.1Å; F285-H565 AromaticContact CE1-ND1 3.49Å; F285-H565 WeakPolarHBondContact CE1-ND1 3.23Å; F285-H565 VanDerWaalsContact CE2-O 3.28Å; F285-H565 WeakPolarHBondContact CE2-O 3.45Å; F285-H565 AromaticContact CZ-ND1 3.25Å; F285-H565 WeakPolarHBondContact CZ-ND1 3.42Å; F285-T569 HydrophobicContact CD2-CG2 4.2Å; F285-T569 HydrophobicContact CE2-CG2 4.16Å; F285-T571 HydrophobicContact CE2-CG2 4.11Å; F285-T571 WeakPolarHBondContact CE2-OG1 3.34Å; F285-Y854 HydrophobicContact CD2-CD1 4.32Å; F285-Y854 HydrophobicContact CE1-CE1 4.15Å; F285-Y854 AromaticContact CE2-CD1 3.92Å; F285-Y854 HydrophobicContact CE2-CD1 3.92Å; F285-Y854 AromaticContact CE2-CE1 3.73Å; F285-Y854 HydrophobicContact CE2-CE1 3.73Å; F285-Y854 HydrophobicContact CZ-CD1 4.1Å; F285-Y854 AromaticContact CZ-CE1 3.53Å; F285-Y854 HydrophobicContact CZ-CE1 3.53Å
286	G	96.8	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	115.1	164.7	-164.5	0	0	0	0	0	109.9	S284 R307 F487	S284-G286 CarbonylContact C-O 3.5Å; S284-G286 PolarHBondContact O-N 2.87Å; G286-R307 WeakPolarHBondContact CA-O 3.45Å; G286-R307 PolarHBondContact N-O 2.86Å; G286-F487 VanDerWaalsContact CA-CE1 3.49Å
287	Q	97.8	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.			trans	-135.2	124	-166	-60.5	-75.9	-45	0	0	108.9	E249 S281 I305 V308 W326 D485 F486	E249-Q287 PolarHBondContact OE1-OE1 3.02Å; S281-Q287 PolarHBondContact O-NE2 2.94Å; S281-Q287 VanDerWaalsContact O-NE2 3.13Å; S281-Q287 PolarHBondContact OG-NE2 3.46Å; S281-Q287 PolarHBondContact OG-OE1 2.75Å; Q287-I305 HydrophobicContact CG-CB 4.2Å; Q287-I305 HydrophobicContact CG-CD1 4.45Å; Q287-I305 HydrophobicContact CG-CG2 4.35Å; Q287-V308 HydrophobicContact CG-CG2 4.22Å; Q287-W326 HydrophobicContact CB-CH2 3.78Å; Q287-W326 HydrophobicContact CB-CZ3 4.42Å; Q287-D485 WeakPolarHBondContact O-CB 3.49Å; Q287-F486 HydrophobicContact CB-CB 4.13Å; Q287-F486 HydrophobicContact CB-CD2 3.78Å; Q287-F486 HydrophobicContact CB-CG 4.4Å; Q287-F486 PolarHBondContact O-N 3.25Å
288	S	97.5	Very high	97.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.			trans	-84.8	153.1	-172.9	69.1	0	0	0	0	112.6	E249 T290 M291 P292 W326 N944	E249-S288 WeakPolarHBondContact O-CB 3.34Å; E249-S288 PolarHBondContact OE2-N 3Å; E249-S288 PolarHBondContact OE2-OG 2.96Å; S288-T290 PolarHBondContact O-N 3.41Å; S288-M291 VanDerWaalsContact OG-CB 3.29Å; S288-M291 WeakPolarHBondContact OG-CB 3.25Å; S288-M291 PolarHBondContact OG-N 3.05Å; S288-M291 VanDerWaalsContact OG-N 3.13Å; S288-P292 WeakPolarHBondContact O-CD 3.34Å; S288-W326 WeakPolarHBondContact O-CH2 3.13Å; S288-W326 VanDerWaalsContact O-CZ2 3.25Å; S288-W326 WeakPolarHBondContact O-CZ2 3.28Å; S288-N944 WeakPolarHBondContact CB-OD1 2.88Å; S288-N944 PolarHBondContact OG-OD1 3.41Å
289	S	94.9	Very high	97.1	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.021	5%	0.049	C	C	.	.	S	Bend	trans	-71.3	-21.4	173.8	64.4	0	0	0	0	113.1	P292 Q328 S943 Q947	S289-P292 WeakPolarHBondContact O-CD 3.17Å; S289-P292 WeakPolarHBondContact O-CG 3.34Å; S289-Q328 PolarHBondContact O-NE2 3.26Å; S289-Q328 PolarHBondContact O-OE1 3.14Å; S289-S943 PolarHBondContact N-OG 3.21Å; S289-S943 PolarHBondContact OG-OG 3.01Å; S289-Q947 PolarHBondContact OG-NE2 3.43Å
290	T	97.5	Very high	97.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-77.7	-37.9	-179.9	-64.5	0	0	0	0	112.4	S288 Y293 L294 S943 N944 F946 Q947	S288-T290 PolarHBondContact O-N 3.41Å; T290-Y293 WeakPolarHBondContact O-CB 3.43Å; T290-Y293 PolarHBondContact O-N 3.45Å; T290-Y293 VanDerWaalsContact O-N 3.17Å; T290-L294 HydrophobicContact CG2-CD1 3.8Å; T290-L294 HydrophobicContact CG2-CG 3.86Å; T290-L294 WeakPolarHBondContact O-CG 3.32Å; T290-L294 PolarHBondContact O-N 3.39Å; T290-S943 PolarHBondContact N-OG 3.18Å; T290-S943 WeakPolarHBondContact OG1-CB 3.4Å; T290-S943 PolarHBondContact OG1-O 3.35Å; T290-S943 PolarHBondContact OG1-OG 3.15Å; T290-N944 WeakPolarHBondContact CB-OD1 3.4Å; T290-N944 HydrophobicContact CG2-CB 4.21Å; T290-F946 HydrophobicContact CG2-CB 3.61Å; T290-F946 HydrophobicContact CG2-CD1 4.12Å; T290-F946 HydrophobicContact CG2-CG 3.95Å; T290-Q947 PolarHBondContact OG1-NE2 3.42Å
291	M	97.8	Very high	97	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-55.7	-46.5	-179.1	-172	60.8	179.7	0	0	115.3	E249 I257 F261 S288 Y293 L294 A295 M303	E249-M291 HydrophobicContact CG-CB 4.39Å; E249-M291 HydrophobicContact CG-CG 4.44Å; E249-M291 WeakPolarHBondContact OE2-CB 3.3Å; I257-M291 HydrophobicContact CG2-SD 4.2Å; F261-M291 HydrophobicContact CE2-CE 3.85Å; F261-M291 HydrophobicContact CZ-CE 3.91Å; S288-M291 VanDerWaalsContact OG-CB 3.29Å; S288-M291 WeakPolarHBondContact OG-CB 3.25Å; S288-M291 PolarHBondContact OG-N 3.05Å; S288-M291 VanDerWaalsContact OG-N 3.13Å; M291-Y293 PolarHBondContact O-N 2.97Å; M291-L294 PolarHBondContact O-N 3.41Å; M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.25Å; M291-A295 PolarHBondContact O-N 3.41Å; M291-M303 HydrophobicContact CB-CE 4.29Å; M291-M303 HydrophobicContact CG-CE 3.57Å
292	P	97.9	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-35.5	177.1	24.3	-38.3	0	0	0	113	S288 S289 K296 M303 W326 I338	S288-P292 WeakPolarHBondContact O-CD 3.34Å; S289-P292 WeakPolarHBondContact O-CD 3.17Å; S289-P292 WeakPolarHBondContact O-CG 3.34Å; P292-K296 PolarHBondContact O-N 3.23Å; P292-M303 HydrophobicContact CB-SD 4.35Å; P292-W326 HydrophobicContact CB-CB 4.02Å; P292-W326 HydrophobicContact CB-CD2 3.73Å; P292-W326 HydrophobicContact CB-CE3 3.6Å; P292-W326 HydrophobicContact CB-CG 3.9Å; P292-W326 HydrophobicContact CB-CZ3 4.3Å; P292-W326 HydrophobicContact CG-CB 4.44Å; P292-W326 HydrophobicContact CG-CD2 3.46Å; P292-W326 VanDerWaalsContact CG-CD2 3.46Å; P292-W326 HydrophobicContact CG-CE3 3.61Å; P292-W326 HydrophobicContact CG-CG 3.8Å; P292-W326 HydrophobicContact CG-CH2 4.31Å; P292-W326 HydrophobicContact CG-CZ2 4.19Å; P292-W326 HydrophobicContact CG-CZ3 4.05Å; P292-I338 HydrophobicContact CB-CG2 3.54Å
293	Y	97.7	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.5	-48.3	175.7	170.9	-112.1	0	0	0	111.8	T290 M291 A295 K296 K297 Q328 W330 H336 F946 E1211 I1212	T290-Y293 WeakPolarHBondContact O-CB 3.43Å; T290-Y293 PolarHBondContact O-N 3.45Å; T290-Y293 VanDerWaalsContact O-N 3.17Å; M291-Y293 PolarHBondContact O-N 2.97Å; Y293-A295 VanDerWaalsContact C-N 3.29Å; Y293-A295 PolarHBondContact O-N 3.17Å; Y293-K296 PolarHBondContact O-N 3.42Å; Y293-K297 HydrophobicContact CD2-CG 4.16Å; Y293-K297 HydrophobicContact CE1-CG 4.26Å; Y293-K297 HydrophobicContact CE2-CD 4.15Å; Y293-K297 VanDerWaalsContact CE2-CE 3.43Å; Y293-K297 HydrophobicContact CE2-CG 3.58Å; Y293-K297 WeakPolarHBondContact O-CG 3.41Å; Y293-K297 PolarHBondContact O-N 3.13Å; Y293-K297 WeakPolarHBondContact OH-CE 3.36Å; Y293-Q328 HydrophobicContact CD2-CG 4.23Å; Y293-Q328 HydrophobicContact CG-CG 4.32Å; Y293-W330 HydrophobicContact CD1-CZ2 4.27Å; Y293-W330 AromaticContact CD2-CH2 3.79Å; Y293-W330 HydrophobicContact CD2-CH2 3.79Å; Y293-W330 AromaticContact CD2-CZ2 3.92Å; Y293-W330 HydrophobicContact CD2-CZ2 3.92Å; Y293-W330 HydrophobicContact CE1-CH2 4.34Å; Y293-W330 HydrophobicContact CE1-CZ2 4.26Å; Y293-W330 AromaticContact CE2-CH2 3.42Å; Y293-W330 HydrophobicContact CE2-CH2 3.42Å; Y293-W330 VanDerWaalsContact CE2-CH2 3.42Å; Y293-W330 AromaticContact CE2-CZ2 3.93Å; Y293-W330 HydrophobicContact CE2-CZ2 3.93Å; Y293-W330 HydrophobicContact CG-CH2 4.4Å; Y293-W330 HydrophobicContact CG-CZ2 4.09Å; Y293-W330 AromaticContact CZ-CH2 3.7Å; Y293-H336 HydrophobicContact CD2-CB 3.77Å; Y293-H336 HydrophobicContact CE2-CB 3.97Å; Y293-H336 AromaticContact CE2-CG 3.82Å; Y293-F946 HydrophobicContact CD1-CD1 4.38Å; Y293-F946 AromaticContact CD1-CE1 3.69Å; Y293-F946 HydrophobicContact CD1-CE1 3.69Å; Y293-F946 AromaticContact CD1-CZ 3.86Å; Y293-F946 HydrophobicContact CD1-CZ 3.86Å; Y293-F946 AromaticContact CE1-CE1 3.6Å; Y293-F946 HydrophobicContact CE1-CE1 3.6Å; Y293-F946 HydrophobicContact CE1-CE2 4.09Å; Y293-F946 AromaticContact CE1-CZ 3.3Å; Y293-F946 HydrophobicContact CE1-CZ 3.3Å; Y293-E1211 VanDerWaalsContact OH-CA 3.26Å; Y293-E1211 WeakPolarHBondContact OH-CA 3.21Å; Y293-I1212 HydrophobicContact CE1-CG2 3.57Å; Y293-I1212 PolarHBondContact OH-N 2.95Å
294	L	98.3	Very high	97.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-41.8	175.6	-65	-175.4	0	0	0	110.9	I257 I258 T290 M291 K296 K297 L298 L1181 I1212	I257-L294 HydrophobicContact CB-CD1 4.23Å; I257-L294 HydrophobicContact CD1-CD1 4.24Å; I257-L294 HydrophobicContact CG2-CD1 3.96Å; I258-L294 HydrophobicContact CD1-CD2 3.94Å; I258-L294 HydrophobicContact CG1-CD1 4.36Å; I258-L294 HydrophobicContact CG1-CD2 4.16Å; T290-L294 HydrophobicContact CG2-CD1 3.8Å; T290-L294 HydrophobicContact CG2-CG 3.86Å; T290-L294 WeakPolarHBondContact O-CG 3.32Å; T290-L294 PolarHBondContact O-N 3.39Å; M291-L294 PolarHBondContact O-N 3.41Å; L294-K296 VanDerWaalsContact C-N 3.35Å; L294-K296 PolarHBondContact O-N 2.82Å; L294-K297 CarbonylContact O-C 3.55Å; L294-K297 PolarHBondContact O-N 3.29Å; L294-L298 WeakPolarHBondContact O-CB 3.11Å; L294-L298 WeakPolarHBondContact O-CD1 3.38Å; L294-L298 WeakPolarHBondContact O-CG 3.3Å; L294-L298 PolarHBondContact O-N 3.38Å; L294-L1181 HydrophobicContact CD2-CD1 4.15Å; L294-I1212 HydrophobicContact CD2-CG2 4.48Å
295	A	98.1	Very high	97.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-47.3	176.8	0	0	0	0	0	111.4	T279 M291 Y293 K297 L298 G299 F300 I338	T279-A295 HydrophobicContact CG2-CB 3.84Å; M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.25Å; M291-A295 PolarHBondContact O-N 3.41Å; Y293-A295 VanDerWaalsContact C-N 3.29Å; Y293-A295 PolarHBondContact O-N 3.17Å; A295-K297 VanDerWaalsContact C-N 3.35Å; A295-K297 PolarHBondContact O-N 3.28Å; A295-L298 PolarHBondContact O-N 3.5Å; A295-G299 PolarHBondContact O-N 3.02Å; A295-F300 HydrophobicContact CB-CB 4.49Å; A295-F300 HydrophobicContact CB-CD2 3.95Å; A295-F300 WeakPolarHBondContact O-CB 3.24Å; A295-F300 VanDerWaalsContact O-CD2 3.24Å; A295-F300 WeakPolarHBondContact O-CD2 3.28Å; A295-F300 PolarHBondContact O-N 3.31Å; A295-I338 HydrophobicContact CB-CD1 3.98Å
296	K	97.3	Very high	97.2	Very high	81 Å²	81	11.6 Å²	11.6	35%	0.352	7%	0.07	S	C	.	.	H	α-helix	trans	-58.7	-45.9	175.1	-175.6	64	173.3	-171.1	0	112	P292 Y293 L294 G299	P292-K296 PolarHBondContact O-N 3.23Å; Y293-K296 PolarHBondContact O-N 3.42Å; L294-K296 VanDerWaalsContact C-N 3.35Å; L294-K296 PolarHBondContact O-N 2.82Å; K296-G299 WeakPolarHBondContact O-CA 3.34Å; K296-G299 PolarHBondContact O-N 3.46Å; K296-G299 VanDerWaalsContact O-N 3.08Å
297	K	96.8	Very high	97.2	Very high	25 Å²	25	13.2 Å²	13.2	11%	0.109	8%	0.076	C	C	.	.	H	α-helix	trans	-72.8	-23.3	-179.7	-71.1	-69.2	-166.6	179.9	0	113.8	Y293 L294 A295 H336 N1180 L1181 E1211 E1213	Y293-K297 HydrophobicContact CD2-CG 4.16Å; Y293-K297 HydrophobicContact CE1-CG 4.26Å; Y293-K297 HydrophobicContact CE2-CD 4.15Å; Y293-K297 VanDerWaalsContact CE2-CE 3.43Å; Y293-K297 HydrophobicContact CE2-CG 3.58Å; Y293-K297 WeakPolarHBondContact O-CG 3.41Å; Y293-K297 PolarHBondContact O-N 3.13Å; Y293-K297 WeakPolarHBondContact OH-CE 3.36Å; L294-K297 CarbonylContact O-C 3.55Å; L294-K297 PolarHBondContact O-N 3.29Å; A295-K297 VanDerWaalsContact C-N 3.35Å; A295-K297 PolarHBondContact O-N 3.28Å; K297-H336 WeakPolarHBondContact CE-ND1 3.36Å; K297-H336 PolarHBondContact NZ-CE1 3.25Å; K297-N1180 WeakPolarHBondContact O-CB 3.37Å; K297-L1181 HydrophobicContact CB-CD1 3.39Å; K297-L1181 HydrophobicContact CB-CG 3.73Å; K297-L1181 HydrophobicContact CG-CD1 4.44Å; K297-L1181 PolarHBondContact O-N 3.12Å; K297-E1211 IonicContact NZ-OE2 3.92Å; K297-E1211 PolarHBondContact NZ-OE2 3.05Å; K297-E1213 IonicContact NZ-OE1 3.57Å; K297-E1213 PolarHBondContact NZ-OE1 3.29Å
298	L	96.9	Very high	97.2	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-72.9	-17.8	168.7	-72.8	162.3	0	0	0	111.7	F261 L294 A295 F300 N1180 L1181 T1182	F261-L298 HydrophobicContact CB-CD1 4.11Å; F261-L298 HydrophobicContact CB-CD2 3.74Å; F261-L298 HydrophobicContact CD1-CD1 4.36Å; F261-L298 HydrophobicContact CD2-CD1 3.47Å; F261-L298 VanDerWaalsContact CD2-CD1 3.47Å; F261-L298 HydrophobicContact CE2-CD1 3.97Å; F261-L298 HydrophobicContact CG-CD1 3.73Å; F261-L298 HydrophobicContact CG-CD2 4.27Å; L294-L298 WeakPolarHBondContact O-CB 3.11Å; L294-L298 WeakPolarHBondContact O-CD1 3.38Å; L294-L298 WeakPolarHBondContact O-CG 3.3Å; L294-L298 PolarHBondContact O-N 3.38Å; A295-L298 PolarHBondContact O-N 3.5Å; L298-F300 HydrophobicContact CB-CD2 3.89Å; L298-F300 HydrophobicContact CB-CE2 3.73Å; L298-F300 HydrophobicContact CD1-CE2 3.98Å; L298-F300 HydrophobicContact CG-CE2 4.48Å; L298-N1180 PolarHBondContact O-ND2 2.86Å; L298-L1181 HydrophobicContact CD2-CB 3.81Å; L298-L1181 HydrophobicContact CG-CB 4.24Å; L298-T1182 HydrophobicContact CB-CG2 4.34Å; L298-T1182 HydrophobicContact CD2-CG2 3.45Å; L298-T1182 VanDerWaalsContact CD2-CG2 3.45Å
299	G	94.8	Very high	97.1	Very high	41 Å²	41	13.3 Å²	13.3	42%	0.423	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	13.4	176	0	0	0	0	0	114.3	A295 K296	A295-G299 PolarHBondContact O-N 3.02Å; K296-G299 WeakPolarHBondContact O-CA 3.34Å; K296-G299 PolarHBondContact O-N 3.46Å; K296-G299 VanDerWaalsContact O-N 3.08Å
300	F	97.1	Very high	97.1	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.013	8%	0.077	C	C	.	.			trans	-73.1	144.2	173.2	-60.3	-72.9	0	0	0	111.3	S241 F261 H265 P276 N277 T279 A295 L298 I338	S241-F300 WeakPolarHBondContact O-CE1 3.43Å; S241-F300 WeakPolarHBondContact O-CZ 3.5Å; F261-F300 HydrophobicContact CD1-CE2 4.47Å; F261-F300 HydrophobicContact CD1-CZ 4.32Å; F261-F300 HydrophobicContact CE1-CE2 4.22Å; F261-F300 HydrophobicContact CE1-CZ 4.05Å; H265-F300 AromaticContact CE1-CZ 3.74Å; H265-F300 AromaticContact NE2-CZ 3.67Å; P276-F300 HydrophobicContact CB-CE1 3.82Å; N277-F300 WeakPolarHBondContact O-CA 3.47Å; T279-F300 HydrophobicContact CG2-CB 4.16Å; T279-F300 HydrophobicContact CG2-CD2 4.1Å; T279-F300 HydrophobicContact CG2-CG 4.03Å; A295-F300 HydrophobicContact CB-CB 4.49Å; A295-F300 HydrophobicContact CB-CD2 3.95Å; A295-F300 WeakPolarHBondContact O-CB 3.24Å; A295-F300 VanDerWaalsContact O-CD2 3.24Å; A295-F300 WeakPolarHBondContact O-CD2 3.28Å; A295-F300 PolarHBondContact O-N 3.31Å; L298-F300 HydrophobicContact CB-CD2 3.89Å; L298-F300 HydrophobicContact CB-CE2 3.73Å; L298-F300 HydrophobicContact CD1-CE2 3.98Å; L298-F300 HydrophobicContact CG-CE2 4.48Å; F300-I338 HydrophobicContact CB-CD1 4.16Å
301	S	94.7	Very high	97	Very high	53 Å²	53	14.5 Å²	14.5	37%	0.371	8%	0.081	S	C	.	.	S	Bend	trans	-91.2	-33.6	178.9	-63.1	0	0	0	0	112.3	N277	N277-S301 PolarHBondContact O-N 2.99Å; N277-S301 WeakPolarHBondContact OD1-CB 3.43Å; N277-S301 PolarHBondContact OD1-OG 3.05Å
302	Q	97.7	Very high	96.9	Very high	32 Å²	32	14.4 Å²	14.4	15%	0.15	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.9	-177.9	-56.7	88	7.4	0	0	111.8	T279 L339 F461	T279-Q302 PolarHBondContact N-O 2.9Å; Q302-L339 WeakPolarHBondContact CA-O 3.34Å; Q302-L339 HydrophobicContact CG-CB 4.32Å; Q302-L339 HydrophobicContact CG-CD2 4.23Å; Q302-F461 HydrophobicContact CB-CD1 3.93Å; Q302-F461 HydrophobicContact CB-CD2 3.79Å; Q302-F461 HydrophobicContact CB-CE1 3.76Å; Q302-F461 HydrophobicContact CB-CE2 3.62Å; Q302-F461 HydrophobicContact CB-CG 3.93Å; Q302-F461 HydrophobicContact CB-CZ 3.6Å; Q302-F461 HydrophobicContact CG-CB 4.11Å; Q302-F461 HydrophobicContact CG-CD1 3.55Å; Q302-F461 HydrophobicContact CG-CD2 3.99Å; Q302-F461 HydrophobicContact CG-CE1 3.84Å; Q302-F461 HydrophobicContact CG-CE2 4.26Å; Q302-F461 HydrophobicContact CG-CG 3.62Å; Q302-F461 HydrophobicContact CG-CZ 4.19Å
303	M	98.3	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.6	179.9	-176.9	175.2	-174.2	0	0	111.9	T279 M291 P292 I305 W326 I338 L339 V340 H341	T279-M303 HydrophobicContact CG2-CB 3.67Å; T279-M303 HydrophobicContact CG2-CG 3.67Å; T279-M303 HydrophobicContact CG2-SD 4.41Å; T279-M303 CarbonylContact O-C 3.59Å; T279-M303 WeakPolarHBondContact O-CA 3.19Å; M291-M303 HydrophobicContact CB-CE 4.29Å; M291-M303 HydrophobicContact CG-CE 3.57Å; P292-M303 HydrophobicContact CB-SD 4.35Å; M303-I305 HydrophobicContact CE-CG2 3.72Å; M303-I305 HydrophobicContact CG-CG2 4.06Å; M303-I305 HydrophobicContact SD-CG2 4.32Å; M303-W326 HydrophobicContact CE-CZ3 4.23Å; M303-W326 HydrophobicContact SD-CE3 4.29Å; M303-W326 HydrophobicContact SD-CZ3 4.21Å; M303-I338 HydrophobicContact CB-CD1 4.19Å; M303-L339 PolarHBondContact N-O 2.77Å; M303-V340 HydrophobicContact CB-CG2 4.27Å; M303-V340 CarbonylContact O-C 3.52Å; M303-V340 VanDerWaalsContact O-CA 3.24Å; M303-V340 WeakPolarHBondContact O-CA 3.38Å; M303-H341 PolarHBondContact O-N 2.8Å
304	I	98.6	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.8	175.1	-57	-162.8	0	0	0	109.4	T279 W280 S281 I282 H341 F343 L413 L457 F461	T279-I304 PolarHBondContact O-N 3.01Å; W280-I304 HydrophobicContact CD2-CG2 4.5Å; W280-I304 HydrophobicContact CE3-CB 3.68Å; W280-I304 HydrophobicContact CE3-CD1 3.69Å; W280-I304 HydrophobicContact CE3-CG1 4.09Å; W280-I304 HydrophobicContact CE3-CG2 3.67Å; W280-I304 HydrophobicContact CZ3-CB 4.17Å; W280-I304 HydrophobicContact CZ3-CD1 3.6Å; W280-I304 HydrophobicContact CZ3-CG1 4.4Å; W280-I304 HydrophobicContact CZ3-CG2 3.74Å; S281-I304 PolarHBondContact N-O 3.4Å; I282-I304 HydrophobicContact CG2-CG2 4.44Å; I304-H341 WeakPolarHBondContact CA-O 3.4Å; I304-H341 HydrophobicContact CG1-CB 4.24Å; I304-F343 HydrophobicContact CG2-CD2 4.12Å; I304-F343 HydrophobicContact CG2-CE2 3.43Å; I304-F343 VanDerWaalsContact CG2-CE2 3.43Å; I304-F343 HydrophobicContact CG2-CZ 3.76Å; I304-L413 HydrophobicContact CD1-CD2 3.49Å; I304-L413 VanDerWaalsContact CD1-CD2 3.49Å; I304-L457 HydrophobicContact CD1-CD1 4.06Å; I304-L457 HydrophobicContact CD1-CD2 4.02Å; I304-L457 HydrophobicContact CD1-CG 4.48Å; I304-F461 HydrophobicContact CD1-CE2 3.72Å; I304-F461 HydrophobicContact CD1-CZ 3.84Å; I304-F461 HydrophobicContact CG1-CE2 3.91Å; I304-F461 HydrophobicContact CG1-CZ 3.78Å
305	I	98.3	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.1	-177.9	66.4	174.4	0	0	0	112.3	S281 Q287 M303 V308 F324 W326 V340 H341 M342 F343 F486	S281-I305 WeakPolarHBondContact O-CA 3.26Å; Q287-I305 HydrophobicContact CG-CB 4.2Å; Q287-I305 HydrophobicContact CG-CD1 4.45Å; Q287-I305 HydrophobicContact CG-CG2 4.35Å; M303-I305 HydrophobicContact CE-CG2 3.72Å; M303-I305 HydrophobicContact CG-CG2 4.06Å; M303-I305 HydrophobicContact SD-CG2 4.32Å; I305-V308 HydrophobicContact CD1-CG2 4.16Å; I305-F324 HydrophobicContact CD1-CZ 4.29Å; I305-W326 HydrophobicContact CD1-CZ3 4.4Å; I305-W326 HydrophobicContact CG2-CZ3 4.45Å; I305-V340 HydrophobicContact CD1-CG1 3.71Å; I305-V340 HydrophobicContact CG1-CG1 3.71Å; I305-V340 HydrophobicContact CG2-CG1 4.31Å; I305-H341 PolarHBondContact N-O 2.78Å; I305-M342 HydrophobicContact CD1-CB 4.31Å; I305-M342 HydrophobicContact CD1-CE 3.77Å; I305-M342 HydrophobicContact CD1-CG 4.28Å; I305-M342 HydrophobicContact CG1-CB 3.94Å; I305-M342 HydrophobicContact CG1-CG 4.03Å; I305-F343 PolarHBondContact O-N 3.19Å; I305-F486 HydrophobicContact CD1-CD2 4.38Å; I305-F486 HydrophobicContact CD1-CE2 3.94Å
306	N	97	Very high	96.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.097	C	C	.	.			trans	-131.5	-62.3	175.8	-161.4	-4.6	0	0	0	115	I282 V308 K313 F343 S347 Y348	I282-N306 HydrophobicContact CB-CB 4.13Å; I282-N306 HydrophobicContact CG2-CB 4.34Å; I282-N306 WeakPolarHBondContact O-CB 3.34Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 3.22Å; N306-K313 WeakPolarHBondContact O-CE 3.23Å; N306-K313 PolarHBondContact O-NZ 3.18Å; N306-K313 PolarHBondContact OD1-NZ 2.84Å; N306-F343 HydrophobicContact CB-CB 4.43Å; N306-F343 HydrophobicContact CB-CD2 4.08Å; N306-S347 PolarHBondContact ND2-O 2.99Å; N306-Y348 WeakPolarHBondContact ND2-CA 3.32Å; N306-Y348 WeakPolarHBondContact ND2-CB 3.24Å; N306-Y348 PolarHBondContact ND2-N 2.86Å
307	R	96.3	Very high	96.4	Very high	33 Å²	33	14.6 Å²	14.6	13%	0.125	8%	0.082	C	C	.	.			trans	-69.5	86.7	-169.6	-69.4	-174.7	-177	-79.7	1.5	113	D283 S284 G286 Y489	D283-R307 WeakPolarHBondContact O-CD 3.47Å; D283-R307 PolarHBondContact O-NE 3.22Å; D283-R307 IonicContact OD1-CZ 3.75Å; D283-R307 IonicContact OD1-NE 2.75Å; D283-R307 PolarHBondContact OD1-NE 2.84Å; D283-R307 IonicContact OD1-NH2 3.98Å; D283-R307 PolarHBondContact OD1-NH2 2.88Å; S284-R307 VanDerWaalsContact O-CB 3.26Å; S284-R307 WeakPolarHBondContact O-CB 3.43Å; G286-R307 WeakPolarHBondContact CA-O 3.45Å; G286-R307 PolarHBondContact N-O 2.86Å; R307-Y489 HydrophobicContact CB-CD1 4.4Å; R307-Y489 HydrophobicContact CB-CD2 4.37Å; R307-Y489 HydrophobicContact CB-CE1 4.03Å; R307-Y489 HydrophobicContact CB-CE2 4.01Å; R307-Y489 HydrophobicContact CG-CE1 4.22Å
308	V	96.9	Very high	96.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	10%	0.096	C	C	.	.			trans	-129.7	143.9	179.7	172.8	0	0	0	0	107.9	Q287 I305 N306 Y310 V312 K313 M342 F486	Q287-V308 HydrophobicContact CG-CG2 4.22Å; I305-V308 HydrophobicContact CD1-CG2 4.16Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 3.22Å; V308-Y310 PolarHBondContact O-N 2.9Å; V308-V312 HydrophobicContact CG1-CB 3.96Å; V308-V312 HydrophobicContact CG1-CG1 3.84Å; V308-K313 HydrophobicContact CB-CG 4.16Å; V308-K313 HydrophobicContact CG1-CG 4.23Å; V308-K313 WeakPolarHBondContact O-CE 3.36Å; V308-M342 HydrophobicContact CB-CE 4.41Å; V308-M342 HydrophobicContact CB-SD 4.27Å; V308-M342 HydrophobicContact CG1-CE 4.07Å; V308-M342 HydrophobicContact CG1-SD 4.12Å; V308-M342 HydrophobicContact CG2-CE 4.02Å; V308-M342 HydrophobicContact CG2-SD 4.34Å; V308-F486 HydrophobicContact CB-CD1 4.41Å; V308-F486 HydrophobicContact CG1-CB 4.18Å; V308-F486 HydrophobicContact CG1-CD1 3.44Å; V308-F486 VanDerWaalsContact CG1-CD1 3.44Å; V308-F486 HydrophobicContact CG1-CE1 4.01Å; V308-F486 HydrophobicContact CG1-CG 3.97Å; V308-F486 HydrophobicContact CG2-CB 3.99Å; V308-F486 HydrophobicContact CG2-CD1 4.11Å; V308-F486 HydrophobicContact CG2-CD2 4.24Å; V308-F486 HydrophobicContact CG2-CG 3.85Å
309	H	96.5	Very high	96.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.			trans	-50.2	132.2	-176.9	-167.7	-56.1	0	0	0	111.3	F134 E311 V312 K313 Y496	F134-H309 AromaticContact CD1-CE1 3.52Å; F134-H309 AromaticContact CD1-NE2 3.48Å; F134-H309 WeakPolarHBondContact CD1-NE2 3.29Å; F134-H309 AromaticContact CE1-NE2 3.95Å; H309-E311 PolarHBondContact ND1-N 2.75Å; H309-E311 PolarHBondContact O-N 2.87Å; H309-V312 HydrophobicContact CB-CB 4.44Å; H309-V312 HydrophobicContact CB-CG2 4.08Å; H309-V312 WeakPolarHBondContact O-CA 3.38Å; H309-V312 WeakPolarHBondContact O-CB 3.22Å; H309-V312 PolarHBondContact O-N 2.78Å; H309-K313 PolarHBondContact O-N 2.81Å; H309-Y496 AromaticContact CD2-CE1 3.8Å; H309-Y496 AromaticContact NE2-CE1 3.66Å; H309-Y496 AromaticContact NE2-CZ 3.87Å
310	Y	94.5	Very high	96.4	Very high	8 Å²	8	23.9 Å²	23.9	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-56.3	-42.1	-171.7	61.7	-94.2	0	0	0	113.8	F134 D136 Q144 V308 V312 K313 K314 A490 Q493	F134-Y310 PolarHBondContact O-OH 2.73Å; D136-Y310 HydrophobicContact CB-CE2 3.96Å; Q144-Y310 HydrophobicContact CB-CD2 4.22Å; Q144-Y310 HydrophobicContact CB-CG 4.49Å; Q144-Y310 VanDerWaalsContact CD-CB 3.44Å; Q144-Y310 HydrophobicContact CG-CD2 3.72Å; Q144-Y310 HydrophobicContact CG-CE2 4.47Å; Q144-Y310 HydrophobicContact CG-CG 3.89Å; V308-Y310 PolarHBondContact O-N 2.9Å; Y310-V312 VanDerWaalsContact C-N 3.33Å; Y310-V312 PolarHBondContact O-N 3.37Å; Y310-K313 WeakPolarHBondContact O-CB 3.48Å; Y310-K313 PolarHBondContact O-N 2.96Å; Y310-K314 WeakPolarHBondContact O-CB 3.36Å; Y310-K314 PolarHBondContact O-N 2.92Å; Y310-A490 WeakPolarHBondContact CD1-O 3.29Å; Y310-A490 HydrophobicContact CE1-CB 4.34Å; Y310-Q493 PolarHBondContact OH-O 2.83Å
311	E	94.7	Very high	96.4	Very high	19 Å²	19	23.9 Å²	23.9	9%	0.089	12%	0.115	C	C	.	.	H	α-helix	trans	-63.5	-33.1	174.1	-81.3	-61.9	120.5	0	0	113.9	L132 F134 H309 K314 Y315	L132-E311 HydrophobicContact CD1-CB 4.21Å; L132-E311 HydrophobicContact CD2-CB 4.49Å; F134-E311 HydrophobicContact CD1-CB 4.47Å; H309-E311 PolarHBondContact ND1-N 2.75Å; H309-E311 PolarHBondContact O-N 2.87Å; E311-K314 PolarHBondContact O-N 2.88Å; E311-K314 WeakPolarHBondContact OE1-CD 3.45Å; E311-K314 IonicContact OE1-NZ 2.94Å; E311-K314 PolarHBondContact OE1-NZ 2.85Å; E311-Y315 VanDerWaalsContact O-CB 3.31Å; E311-Y315 WeakPolarHBondContact O-CB 3.25Å; E311-Y315 PolarHBondContact O-N 2.9Å
312	V	96.2	Very high	96.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-44.5	174	176.5	0	0	0	0	110	M125 Y129 L132 V308 H309 Y310 K314 Y315 L316 F486	M125-V312 HydrophobicContact CE-CG1 3.76Å; M125-V312 HydrophobicContact CE-CG2 3.94Å; M125-V312 HydrophobicContact SD-CG1 4.39Å; Y129-V312 HydrophobicContact CE2-CG2 3.94Å; L132-V312 HydrophobicContact CD1-CG2 3.74Å; V308-V312 HydrophobicContact CG1-CB 3.96Å; V308-V312 HydrophobicContact CG1-CG1 3.84Å; H309-V312 HydrophobicContact CB-CB 4.44Å; H309-V312 HydrophobicContact CB-CG2 4.08Å; H309-V312 WeakPolarHBondContact O-CA 3.38Å; H309-V312 WeakPolarHBondContact O-CB 3.22Å; H309-V312 PolarHBondContact O-N 2.78Å; Y310-V312 VanDerWaalsContact C-N 3.33Å; Y310-V312 PolarHBondContact O-N 3.37Å; V312-K314 VanDerWaalsContact C-N 3.34Å; V312-K314 PolarHBondContact O-N 3.45Å; V312-Y315 PolarHBondContact O-N 2.88Å; V312-L316 HydrophobicContact CG1-CD1 4.08Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.38Å; V312-F486 HydrophobicContact CG1-CD1 4.04Å; V312-F486 HydrophobicContact CG1-CE1 3.9Å
313	K	95.3	Very high	96.6	Very high	8 Å²	8	20 Å²	20	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-56.5	-48.4	173.8	-72.3	-178.6	169.5	-178.2	0	111.3	N306 V308 H309 Y310 Y315 L316 A317 M342 F343 F345	N306-K313 WeakPolarHBondContact O-CE 3.23Å; N306-K313 PolarHBondContact O-NZ 3.18Å; N306-K313 PolarHBondContact OD1-NZ 2.84Å; V308-K313 HydrophobicContact CB-CG 4.16Å; V308-K313 HydrophobicContact CG1-CG 4.23Å; V308-K313 WeakPolarHBondContact O-CE 3.36Å; H309-K313 PolarHBondContact O-N 2.81Å; Y310-K313 WeakPolarHBondContact O-CB 3.48Å; Y310-K313 PolarHBondContact O-N 2.96Å; K313-Y315 PolarHBondContact O-N 2.68Å; K313-L316 PolarHBondContact O-N 3.17Å; K313-A317 WeakPolarHBondContact O-CB 3.16Å; K313-A317 PolarHBondContact O-N 3.46Å; K313-M342 HydrophobicContact CG-SD 4.04Å; K313-F343 VanDerWaalsContact CE-O 3.25Å; K313-F343 WeakPolarHBondContact CE-O 3.36Å; K313-F345 PolarHBondContact NZ-O 2.96Å
314	K	94.5	Very high	96.6	Very high	46 Å²	46	20 Å²	20	20%	0.2	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-44.2	177.6	-174.4	-174.8	-179.4	176.8	0	112.3	G145 F146 Y310 E311 V312 S318	G145-K314 WeakPolarHBondContact O-CE 3.11Å; F146-K314 HydrophobicContact CD1-CG 3.98Å; F146-K314 HydrophobicContact CE1-CG 4.41Å; Y310-K314 WeakPolarHBondContact O-CB 3.36Å; Y310-K314 PolarHBondContact O-N 2.92Å; E311-K314 PolarHBondContact O-N 2.88Å; E311-K314 WeakPolarHBondContact OE1-CD 3.45Å; E311-K314 IonicContact OE1-NZ 2.94Å; E311-K314 PolarHBondContact OE1-NZ 2.85Å; V312-K314 VanDerWaalsContact C-N 3.34Å; V312-K314 PolarHBondContact O-N 3.45Å; K314-S318 WeakPolarHBondContact O-CB 3.36Å; K314-S318 PolarHBondContact O-N 3.22Å; K314-S318 PolarHBondContact O-OG 3.19Å
315	Y	95.7	Very high	96.5	Very high	28 Å²	28	20.8 Å²	20.8	11%	0.11	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-45.8	177.6	-178.2	-83.6	0	0	0	112.5	Y123 I128 Q131 L132 E311 V312 K313 S318 R319	Y123-Y315 HydrophobicContact CD1-CE1 4.2Å; Y123-Y315 HydrophobicContact CE1-CE1 4.03Å; I128-Y315 HydrophobicContact CD1-CD1 4.26Å; I128-Y315 HydrophobicContact CD1-CE1 3.96Å; I128-Y315 HydrophobicContact CG1-CD1 4.4Å; I128-Y315 HydrophobicContact CG1-CE1 3.88Å; I128-Y315 HydrophobicContact CG2-CD1 4.16Å; I128-Y315 HydrophobicContact CG2-CE1 4.36Å; I128-Y315 HydrophobicContact CG2-CG 4.27Å; Q131-Y315 PolarHBondContact OE1-OH 2.8Å; L132-Y315 HydrophobicContact CD2-CD2 3.7Å; L132-Y315 HydrophobicContact CD2-CG 4.15Å; E311-Y315 VanDerWaalsContact O-CB 3.31Å; E311-Y315 WeakPolarHBondContact O-CB 3.25Å; E311-Y315 PolarHBondContact O-N 2.9Å; V312-Y315 PolarHBondContact O-N 2.88Å; K313-Y315 PolarHBondContact O-N 2.68Å; Y315-S318 PolarHBondContact O-OG 2.7Å; Y315-R319 VanDerWaalsContact CZ-CZ 3.41Å; Y315-R319 WeakPolarHBondContact O-CD 3.25Å; Y315-R319 PolarHBondContact O-NH1 3.45Å
316	L	97.2	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-74.7	-40.4	179.7	-66.2	175.8	0	0	0	111.9	Y123 V312 K313 R319 K320 A321 L322 M342 L482	Y123-L316 HydrophobicContact CG-CD2 4.46Å; V312-L316 HydrophobicContact CG1-CD1 4.08Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.38Å; K313-L316 PolarHBondContact O-N 3.17Å; L316-R319 CarbonylContact O-C 3.41Å; L316-R319 PolarHBondContact O-N 2.86Å; L316-R319 VanDerWaalsContact O-N 3.12Å; L316-K320 PolarHBondContact O-N 3.35Å; L316-A321 HydrophobicContact CB-CB 4.49Å; L316-A321 HydrophobicContact CD2-CB 4.05Å; L316-A321 PolarHBondContact O-N 2.69Å; L316-L322 HydrophobicContact CB-CD2 3.99Å; L316-M342 HydrophobicContact CD1-CE 3.77Å; L316-M342 HydrophobicContact CD1-SD 4.07Å; L316-L482 HydrophobicContact CD1-CD1 4.18Å; L316-L482 HydrophobicContact CD2-CD1 4.44Å
317	A	96.1	Very high	96.4	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-45.4	178.1	0	0	0	0	0	112.2	F146 K313 R319 K320 L322 L405	F146-A317 HydrophobicContact CE1-CB 4.04Å; F146-A317 HydrophobicContact CZ-CB 4.17Å; K313-A317 WeakPolarHBondContact O-CB 3.16Å; K313-A317 PolarHBondContact O-N 3.46Å; A317-R319 PolarHBondContact O-N 3.37Å; A317-R319 VanDerWaalsContact O-N 3.16Å; A317-K320 PolarHBondContact O-N 3.23Å; A317-L322 HydrophobicContact CB-CD1 3.87Å; A317-L322 HydrophobicContact CB-CD2 4.28Å; A317-L322 HydrophobicContact CB-CG 4.21Å; A317-L405 HydrophobicContact CB-CD1 4.49Å; A317-L405 HydrophobicContact CB-CD2 4.28Å
318	S	94.7	Very high	96.2	Very high	58 Å²	58	20 Å²	20	41%	0.406	9%	0.092	S	C	.	.	H	α-helix	trans	-63	-20.9	176.7	58	0	0	0	0	113.5	F146 K314 Y315	F146-S318 VanDerWaalsContact CZ-CA 3.49Å; K314-S318 WeakPolarHBondContact O-CB 3.36Å; K314-S318 PolarHBondContact O-N 3.22Å; K314-S318 PolarHBondContact O-OG 3.19Å; Y315-S318 PolarHBondContact O-OG 2.7Å
319	R	96.9	Very high	95.7	Very high	116 Å²	116	21.8 Å²	21.8	44%	0.438	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.6	176.8	-70.3	170.1	177.3	67.7	2.4	113.6	Y315 L316 A317 A321	Y315-R319 VanDerWaalsContact CZ-CZ 3.41Å; Y315-R319 WeakPolarHBondContact O-CD 3.25Å; Y315-R319 PolarHBondContact O-NH1 3.45Å; L316-R319 CarbonylContact O-C 3.41Å; L316-R319 PolarHBondContact O-N 2.86Å; L316-R319 VanDerWaalsContact O-N 3.12Å; A317-R319 PolarHBondContact O-N 3.37Å; A317-R319 VanDerWaalsContact O-N 3.16Å; R319-A321 HydrophobicContact CB-CB 4.25Å; R319-A321 PolarHBondContact O-N 3.06Å
320	K	96.9	Very high	95.2	Very high	91 Å²	91	22 Å²	22	40%	0.396	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.6	-174.1	-48.6	-174.5	-176.3	-175.7	0	113.8	L316 A317 T404 L405 N407	L316-K320 PolarHBondContact O-N 3.35Å; A317-K320 PolarHBondContact O-N 3.23Å; K320-T404 WeakPolarHBondContact CD-O 3.49Å; K320-T404 WeakPolarHBondContact CE-O 3.36Å; K320-T404 WeakPolarHBondContact CG-O 3.37Å; K320-L405 WeakPolarHBondContact CA-O 3.5Å; K320-N407 HydrophobicContact CB-CB 4.12Å
321	A	97.8	Very high	94.9	Very high	3 Å²	3	22 Å²	22	3%	0.025	11%	0.106	C	C	.	.			trans	-109.8	28.1	-174.5	0	0	0	0	0	112.6	Y123 L316 R319 E323 F324 P480	Y123-A321 HydrophobicContact CD2-CB 4.48Å; Y123-A321 HydrophobicContact CE2-CB 3.6Å; L316-A321 HydrophobicContact CB-CB 4.49Å; L316-A321 HydrophobicContact CD2-CB 4.05Å; L316-A321 PolarHBondContact O-N 2.69Å; R319-A321 HydrophobicContact CB-CB 4.25Å; R319-A321 PolarHBondContact O-N 3.06Å; A321-E323 PolarHBondContact O-N 2.9Å; A321-F324 WeakPolarHBondContact O-CD1 3.25Å; A321-P480 HydrophobicContact CB-CG 4.11Å
322	L	98.2	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-76.3	-10.3	174.3	-66.6	169.1	0	0	0	113.1	L316 A317 M342 P344 L405 Y406	L316-L322 HydrophobicContact CB-CD2 3.99Å; A317-L322 HydrophobicContact CB-CD1 3.87Å; A317-L322 HydrophobicContact CB-CD2 4.28Å; A317-L322 HydrophobicContact CB-CG 4.21Å; L322-M342 HydrophobicContact CB-CB 4.44Å; L322-M342 HydrophobicContact CD2-CB 4.21Å; L322-M342 HydrophobicContact CD2-CG 4.21Å; L322-M342 HydrophobicContact CD2-SD 3.9Å; L322-M342 WeakPolarHBondContact O-CB 3.47Å; L322-M342 PolarHBondContact O-N 3.47Å; L322-P344 HydrophobicContact CD1-CB 3.64Å; L322-P344 HydrophobicContact CD1-CG 4.33Å; L322-L405 HydrophobicContact CD1-CB 3.86Å; L322-Y406 HydrophobicContact CB-CD1 3.98Å; L322-Y406 HydrophobicContact CB-CE1 3.67Å; L322-Y406 HydrophobicContact CD1-CE1 4.1Å
323	E	98.3	Very high	93.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.7	168.7	-70.3	166.2	140.4	0	0	108.4	A321 V340 H341 Y406 N408 Y460 F479 P480	A321-E323 PolarHBondContact O-N 2.9Å; E323-V340 VanDerWaalsContact CA-O 3.25Å; E323-V340 WeakPolarHBondContact CA-O 3.48Å; E323-H341 HydrophobicContact CG-CB 4.44Å; E323-H341 IonicContact OE1-CE1 2.61Å; E323-H341 IonicContact OE1-ND1 3.55Å; E323-H341 PolarHBondContact OE1-ND1 2.87Å; E323-H341 VanDerWaalsContact OE1-ND1 3.14Å; E323-Y406 HydrophobicContact CG-CD1 3.84Å; E323-Y406 HydrophobicContact CG-CE1 4.2Å; E323-N408 PolarHBondContact OE1-ND2 3.21Å; E323-N408 WeakPolarHBondContact OE2-CB 3.37Å; E323-N408 PolarHBondContact OE2-ND2 2.78Å; E323-N408 VanDerWaalsContact OE2-ND2 3.17Å; E323-Y460 PolarHBondContact OE1-OH 2.96Å; E323-F479 HydrophobicContact CB-CD1 3.55Å; E323-F479 HydrophobicContact CB-CE1 3.42Å; E323-F479 VanDerWaalsContact CB-CE1 3.42Å; E323-F479 HydrophobicContact CB-CG 4.48Å; E323-F479 HydrophobicContact CB-CZ 4.25Å; E323-F479 HydrophobicContact CG-CE1 4.3Å; E323-F479 WeakPolarHBondContact O-CD1 3.41Å; E323-F479 WeakPolarHBondContact OE2-CE1 3.3Å; E323-P480 WeakPolarHBondContact O-CD 3.35Å
324	F	98.1	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	156.7	-172.9	54	-92.2	0	0	0	111.3	I305 A321 W326 V340 M342 P480 L482 F486	I305-F324 HydrophobicContact CD1-CZ 4.29Å; A321-F324 WeakPolarHBondContact O-CD1 3.25Å; F324-W326 HydrophobicContact CD2-CB 4.08Å; F324-W326 HydrophobicContact CE2-CB 3.87Å; F324-W326 HydrophobicContact CE2-CD2 4.18Å; F324-W326 AromaticContact CE2-CG 3.95Å; F324-W326 HydrophobicContact CE2-CG 3.95Å; F324-W326 PolarHBondContact O-N 3.09Å; F324-V340 HydrophobicContact CD2-CB 4.14Å; F324-V340 HydrophobicContact CD2-CG2 4.45Å; F324-V340 HydrophobicContact CE1-CB 4.37Å; F324-V340 HydrophobicContact CE1-CG1 4.16Å; F324-V340 HydrophobicContact CE2-CB 3.78Å; F324-V340 HydrophobicContact CE2-CG1 4.05Å; F324-V340 HydrophobicContact CE2-CG2 3.98Å; F324-V340 HydrophobicContact CZ-CB 3.91Å; F324-V340 HydrophobicContact CZ-CG1 3.69Å; F324-V340 HydrophobicContact CZ-CG2 4.46Å; F324-V340 PolarHBondContact N-O 2.84Å; F324-V340 PolarHBondContact O-N 2.8Å; F324-M342 HydrophobicContact CE1-CB 4.33Å; F324-M342 HydrophobicContact CE1-CE 3.75Å; F324-M342 HydrophobicContact CZ-CE 3.91Å; F324-P480 CarbonylContact C-O 3.51Å; F324-P480 VanDerWaalsContact CA-O 3.24Å; F324-P480 WeakPolarHBondContact CA-O 3.26Å; F324-P480 HydrophobicContact CB-CG 4.19Å; F324-P480 VanDerWaalsContact CB-O 3.22Å; F324-P480 WeakPolarHBondContact CB-O 3.33Å; F324-L482 HydrophobicContact CB-CB 4.22Å; F324-L482 HydrophobicContact CD1-CD1 4.33Å; F324-L482 HydrophobicContact CD2-CB 3.45Å; F324-L482 VanDerWaalsContact CD2-CB 3.45Å; F324-L482 HydrophobicContact CD2-CD1 4.16Å; F324-L482 HydrophobicContact CD2-CD2 4.36Å; F324-L482 HydrophobicContact CD2-CG 4.19Å; F324-L482 HydrophobicContact CE1-CD1 4.26Å; F324-L482 HydrophobicContact CE2-CB 3.93Å; F324-L482 HydrophobicContact CE2-CD1 4.06Å; F324-L482 HydrophobicContact CE2-CD2 3.94Å; F324-L482 HydrophobicContact CE2-CG 4.2Å; F324-L482 HydrophobicContact CG-CB 3.9Å; F324-L482 HydrophobicContact CG-CD1 4.28Å; F324-L482 HydrophobicContact CZ-CD1 4.11Å; F324-L482 HydrophobicContact CZ-CD2 4.49Å; F324-F486 HydrophobicContact CE2-CZ 4.45Å; F324-F486 HydrophobicContact CZ-CE2 4.2Å; F324-F486 AromaticContact CZ-CZ 3.84Å; F324-F486 HydrophobicContact CZ-CZ 3.84Å
325	M	97.5	Very high	93	Very high	18 Å²	18	29.5 Å²	29.5	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	107.5	168.2	-61	-53.3	-59.8	0	0	108.4	H327 L339 M475 F479 P480 S481 L482	M325-H327 PolarHBondContact O-N 3.49Å; M325-L339 HydrophobicContact SD-CB 3.97Å; M325-L339 HydrophobicContact SD-CD1 3.97Å; M325-M475 HydrophobicContact SD-CB 4.15Å; M325-F479 HydrophobicContact CG-CB 4.49Å; M325-P480 PolarHBondContact N-O 3.25Å; M325-S481 WeakPolarHBondContact O-CA 3.44Å; M325-L482 PolarHBondContact O-N 3.48Å
326	W	97.1	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.4	178.3	-158.7	-7.8	0	0	0	109.5	Q287 S288 P292 M303 I305 F324 S337 I338 V340 G484 F486	Q287-W326 HydrophobicContact CB-CH2 3.78Å; Q287-W326 HydrophobicContact CB-CZ3 4.42Å; S288-W326 WeakPolarHBondContact O-CH2 3.13Å; S288-W326 VanDerWaalsContact O-CZ2 3.25Å; S288-W326 WeakPolarHBondContact O-CZ2 3.28Å; P292-W326 HydrophobicContact CB-CB 4.02Å; P292-W326 HydrophobicContact CB-CD2 3.73Å; P292-W326 HydrophobicContact CB-CE3 3.6Å; P292-W326 HydrophobicContact CB-CG 3.9Å; P292-W326 HydrophobicContact CB-CZ3 4.3Å; P292-W326 HydrophobicContact CG-CB 4.44Å; P292-W326 HydrophobicContact CG-CD2 3.46Å; P292-W326 VanDerWaalsContact CG-CD2 3.46Å; P292-W326 HydrophobicContact CG-CE3 3.61Å; P292-W326 HydrophobicContact CG-CG 3.8Å; P292-W326 HydrophobicContact CG-CH2 4.31Å; P292-W326 HydrophobicContact CG-CZ2 4.19Å; P292-W326 HydrophobicContact CG-CZ3 4.05Å; M303-W326 HydrophobicContact CE-CZ3 4.23Å; M303-W326 HydrophobicContact SD-CE3 4.29Å; M303-W326 HydrophobicContact SD-CZ3 4.21Å; I305-W326 HydrophobicContact CD1-CZ3 4.4Å; I305-W326 HydrophobicContact CG2-CZ3 4.45Å; F324-W326 HydrophobicContact CD2-CB 4.08Å; F324-W326 HydrophobicContact CE2-CB 3.87Å; F324-W326 HydrophobicContact CE2-CD2 4.18Å; F324-W326 AromaticContact CE2-CG 3.95Å; F324-W326 HydrophobicContact CE2-CG 3.95Å; F324-W326 PolarHBondContact O-N 3.09Å; W326-S337 WeakPolarHBondContact O-CA 3.42Å; W326-I338 HydrophobicContact CB-CG2 4.43Å; W326-I338 PolarHBondContact N-O 3.44Å; W326-I338 PolarHBondContact O-N 2.67Å; W326-V340 HydrophobicContact CB-CG2 3.58Å; W326-V340 HydrophobicContact CD2-CG2 4.26Å; W326-V340 HydrophobicContact CE3-CG2 3.65Å; W326-V340 HydrophobicContact CG-CG2 4.32Å; W326-G484 PolarHBondContact NE1-O 2.85Å; W326-F486 AromaticContact CH2-CD2 3.78Å; W326-F486 HydrophobicContact CH2-CD2 3.78Å; W326-F486 AromaticContact CH2-CE2 3.78Å; W326-F486 HydrophobicContact CH2-CE2 3.78Å; W326-F486 AromaticContact CZ2-CD2 3.75Å; W326-F486 HydrophobicContact CZ2-CD2 3.75Å; W326-F486 AromaticContact CZ2-CE2 3.61Å; W326-F486 HydrophobicContact CZ2-CE2 3.61Å; W326-F486 HydrophobicContact CZ3-CE2 4.3Å
327	H	94	Very high	92.7	Very high	16 Å²	16	29.4 Å²	29.4	7%	0.074	18%	0.18	C	C	.	.			trans	-110.5	140.5	-163.9	-171	93.6	0	0	0	110.8	V119 T121 M325 D331 G334 S337 L482	V119-H327 VanDerWaalsContact CG1-CD2 3.47Å; V119-H327 WeakPolarHBondContact CG1-CD2 3.06Å; V119-H327 WeakPolarHBondContact CG1-NE2 3.47Å; T121-H327 HydrophobicContact CG2-CB 4.18Å; M325-H327 PolarHBondContact O-N 3.49Å; H327-D331 PolarHBondContact CE1-O 2.91Å; H327-D331 PolarHBondContact NE2-O 3Å; H327-G334 WeakPolarHBondContact CE1-CA 3.4Å; H327-G334 PolarHBondContact CE1-N 3.47Å; H327-S337 PolarHBondContact ND1-OG 2.94Å; H327-L482 PolarHBondContact N-O 3.14Å
328	Q	92.4	Very high	92.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.			trans	-82.4	137.1	177.8	-60.8	-57.1	-58.9	0	0	110.3	S289 Y293 W330 D331	S289-Q328 PolarHBondContact O-NE2 3.26Å; S289-Q328 PolarHBondContact O-OE1 3.14Å; Y293-Q328 HydrophobicContact CD2-CG 4.23Å; Y293-Q328 HydrophobicContact CG-CG 4.32Å; Q328-W330 HydrophobicContact CB-CD2 4.1Å; Q328-W330 HydrophobicContact CB-CG 4.45Å; Q328-W330 HydrophobicContact CB-CZ2 3.97Å; Q328-W330 HydrophobicContact CG-CH2 4.47Å; Q328-W330 HydrophobicContact CG-CZ2 3.88Å; Q328-W330 PolarHBondContact O-N 3.39Å; Q328-D331 HydrophobicContact CB-CB 3.84Å; Q328-D331 PolarHBondContact O-N 3.41Å
329	P	86.2	Confident	92.9	Very high	40 Å²	40	26.8 Å²	26.8	26%	0.26	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.1	-177.1	26.4	-34.5	0	0	0	113.5	V119	V119-P329 WeakPolarHBondContact CG2-O 3.39Å
330	W	87.1	Confident	93	Very high	6 Å²	6	21.3 Å²	21.3	2%	0.023	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-0.2	178.5	53.3	-99	0	0	0	114	Y117 Y293 Q328 A332 H336 F946 Q947 I1054 M1210 E1211	Y117-W330 HydrophobicContact CD1-CB 4.36Å; Y117-W330 WeakPolarHBondContact CD1-O 3.4Å; Y117-W330 HydrophobicContact CE1-CB 4.35Å; Y117-W330 WeakPolarHBondContact CE1-O 3.44Å; Y293-W330 HydrophobicContact CD1-CZ2 4.27Å; Y293-W330 AromaticContact CD2-CH2 3.79Å; Y293-W330 HydrophobicContact CD2-CH2 3.79Å; Y293-W330 AromaticContact CD2-CZ2 3.92Å; Y293-W330 HydrophobicContact CD2-CZ2 3.92Å; Y293-W330 HydrophobicContact CE1-CH2 4.34Å; Y293-W330 HydrophobicContact CE1-CZ2 4.26Å; Y293-W330 AromaticContact CE2-CH2 3.42Å; Y293-W330 HydrophobicContact CE2-CH2 3.42Å; Y293-W330 VanDerWaalsContact CE2-CH2 3.42Å; Y293-W330 AromaticContact CE2-CZ2 3.93Å; Y293-W330 HydrophobicContact CE2-CZ2 3.93Å; Y293-W330 HydrophobicContact CG-CH2 4.4Å; Y293-W330 HydrophobicContact CG-CZ2 4.09Å; Y293-W330 AromaticContact CZ-CH2 3.7Å; Q328-W330 HydrophobicContact CB-CD2 4.1Å; Q328-W330 HydrophobicContact CB-CG 4.45Å; Q328-W330 HydrophobicContact CB-CZ2 3.97Å; Q328-W330 HydrophobicContact CG-CH2 4.47Å; Q328-W330 HydrophobicContact CG-CZ2 3.88Å; Q328-W330 PolarHBondContact O-N 3.39Å; W330-A332 PolarHBondContact O-N 2.78Å; W330-H336 AromaticContact CZ3-CD2 3.9Å; W330-F946 HydrophobicContact CZ2-CE1 4.07Å; W330-Q947 VanDerWaalsContact CD1-OE1 3.3Å; W330-I1054 HydrophobicContact CB-CD1 3.23Å; W330-I1054 HydrophobicContact CB-CG1 3.77Å; W330-I1054 HydrophobicContact CB-CG2 4.22Å; W330-M1210 HydrophobicContact CB-CB 4.5Å; W330-M1210 HydrophobicContact CB-CG 4.15Å; W330-M1210 HydrophobicContact CD2-CB 3.52Å; W330-M1210 HydrophobicContact CD2-CG 4.1Å; W330-M1210 HydrophobicContact CE3-CB 3.57Å; W330-M1210 HydrophobicContact CE3-CG 4.42Å; W330-M1210 HydrophobicContact CG-CB 3.93Å; W330-M1210 HydrophobicContact CG-CE 4.11Å; W330-M1210 HydrophobicContact CG-CG 3.95Å; W330-M1210 HydrophobicContact CH2-CB 4.4Å; W330-M1210 HydrophobicContact CZ2-CB 4.39Å; W330-M1210 HydrophobicContact CZ3-CB 4.03Å; W330-E1211 HydrophobicContact CH2-CG 4.23Å; W330-E1211 HydrophobicContact CZ3-CG 3.92Å
331	D	87.9	Confident	93.1	Very high	8 Å²	8	17 Å²	17	4%	0.043	12%	0.122	C	C	.	.			trans	-99.6	72	-178.4	174.6	28.9	0	0	0	111	H327 Q328 A333 G334 S335 H336	H327-D331 PolarHBondContact CE1-O 2.91Å; H327-D331 PolarHBondContact NE2-O 3Å; Q328-D331 HydrophobicContact CB-CB 3.84Å; Q328-D331 PolarHBondContact O-N 3.41Å; D331-A333 PolarHBondContact O-N 2.87Å; D331-G334 PolarHBondContact O-N 2.9Å; D331-G334 PolarHBondContact OD1-N 3.31Å; D331-G334 WeakPolarHBondContact OD2-CA 3.32Å; D331-S335 PolarHBondContact OD1-N 3.01Å; D331-S335 VanDerWaalsContact OD1-N 3.07Å; D331-S335 PolarHBondContact OD1-OG 3.36Å; D331-S335 PolarHBondContact OD2-N 3.45Å; D331-H336 IonicContact OD1-CD2 2.68Å; D331-H336 WeakPolarHBondContact OD2-CA 3.34Å; D331-H336 IonicContact OD2-CD2 2.83Å; D331-H336 PolarHBondContact OD2-N 3.47Å
332	A	81.2	Confident	93.1	Very high	53 Å²	53	16.8 Å²	16.8	44%	0.438	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.8	-175.8	0	0	0	0	0	114.9	D116 V119 W330	D116-A332 WeakPolarHBondContact O-CB 3.28Å; V119-A332 HydrophobicContact CG2-CB 4.22Å; W330-A332 PolarHBondContact O-N 2.78Å
333	A	82.5	Confident	93.1	Very high	89 Å²	89	17 Å²	17	74%	0.736	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.5	176.8	0	0	0	0	0	113.8	D331 S335	D331-A333 PolarHBondContact O-N 2.87Å; A333-S335 PolarHBondContact O-N 3.38Å
334	G	87.2	Confident	92.9	Very high	23 Å²	23	17.2 Å²	17.2	24%	0.237	12%	0.123	C	C	.	.			trans	65.9	20.8	-171.6	0	0	0	0	0	114.1	H327 D331 H336 S337	H327-G334 WeakPolarHBondContact CE1-CA 3.4Å; H327-G334 PolarHBondContact CE1-N 3.47Å; D331-G334 PolarHBondContact O-N 2.9Å; D331-G334 PolarHBondContact OD1-N 3.31Å; D331-G334 WeakPolarHBondContact OD2-CA 3.32Å; G334-H336 VanDerWaalsContact C-N 3.26Å; G334-H336 PolarHBondContact O-N 2.98Å; G334-S337 WeakPolarHBondContact O-CB 3.47Å; G334-S337 PolarHBondContact O-N 2.85Å; G334-S337 PolarHBondContact O-OG 2.9Å
335	S	89.4	Confident	92.7	Very high	65 Å²	65	17.6 Å²	17.6	46%	0.455	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-175.8	62.4	0	0	0	0	113.4	D331 A333	D331-S335 PolarHBondContact OD1-N 3.01Å; D331-S335 VanDerWaalsContact OD1-N 3.07Å; D331-S335 PolarHBondContact OD1-OG 3.36Å; D331-S335 PolarHBondContact OD2-N 3.45Å; A333-S335 PolarHBondContact O-N 3.38Å
336	H	93.1	Very high	92.5	Very high	18 Å²	18	20.1 Å²	20.1	8%	0.083	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.6	-179	-53.1	-59.9	0	0	0	113.1	Y293 K297 W330 D331 G334 E1211	Y293-H336 HydrophobicContact CD2-CB 3.77Å; Y293-H336 HydrophobicContact CE2-CB 3.97Å; Y293-H336 AromaticContact CE2-CG 3.82Å; K297-H336 WeakPolarHBondContact CE-ND1 3.36Å; K297-H336 PolarHBondContact NZ-CE1 3.25Å; W330-H336 AromaticContact CZ3-CD2 3.9Å; D331-H336 IonicContact OD1-CD2 2.68Å; D331-H336 WeakPolarHBondContact OD2-CA 3.34Å; D331-H336 IonicContact OD2-CD2 2.83Å; D331-H336 PolarHBondContact OD2-N 3.47Å; G334-H336 VanDerWaalsContact C-N 3.26Å; G334-H336 PolarHBondContact O-N 2.98Å; H336-E1211 IonicContact CD2-OE1 3.85Å; H336-E1211 IonicContact CE1-OE1 3.33Å; H336-E1211 IonicContact CE1-OE2 3.53Å; H336-E1211 PolarHBondContact CE1-OE2 3.21Å; H336-E1211 IonicContact NE2-OE1 3.64Å; H336-E1211 PolarHBondContact NE2-OE1 2.94Å; H336-E1211 IonicContact NE2-OE2 2.87Å; H336-E1211 PolarHBondContact NE2-OE2 3.14Å; H336-E1211 VanDerWaalsContact NE2-OE2 3.12Å
337	S	95.3	Very high	92.3	Very high	8 Å²	8	20.9 Å²	20.9	6%	0.056	14%	0.141	C	C	.	.			trans	-68.3	143.6	176.2	-58.4	0	0	0	0	111.5	W326 H327 G334	W326-S337 WeakPolarHBondContact O-CA 3.42Å; H327-S337 PolarHBondContact ND1-OG 2.94Å; G334-S337 WeakPolarHBondContact O-CB 3.47Å; G334-S337 PolarHBondContact O-N 2.85Å; G334-S337 PolarHBondContact O-OG 2.9Å
338	I	97.1	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.1	175.3	-165.5	166.7	0	0	0	110.2	P292 A295 F300 M303 W326 V340	P292-I338 HydrophobicContact CB-CG2 3.54Å; A295-I338 HydrophobicContact CB-CD1 3.98Å; F300-I338 HydrophobicContact CB-CD1 4.16Å; M303-I338 HydrophobicContact CB-CD1 4.19Å; W326-I338 HydrophobicContact CB-CG2 4.43Å; W326-I338 PolarHBondContact N-O 3.44Å; W326-I338 PolarHBondContact O-N 2.67Å; I338-V340 HydrophobicContact CG2-CG2 4.26Å; I338-V340 PolarHBondContact O-N 2.86Å
339	L	97.9	Very high	92.5	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.7	174	177.8	66.3	0	0	0	109.3	Q302 M303 M325 F461 L464 M475 F479	Q302-L339 WeakPolarHBondContact CA-O 3.34Å; Q302-L339 HydrophobicContact CG-CB 4.32Å; Q302-L339 HydrophobicContact CG-CD2 4.23Å; M303-L339 PolarHBondContact N-O 2.77Å; M325-L339 HydrophobicContact SD-CB 3.97Å; M325-L339 HydrophobicContact SD-CD1 3.97Å; L339-F461 HydrophobicContact CD2-CD1 4.36Å; L339-F461 HydrophobicContact CD2-CE1 4.36Å; L339-L464 HydrophobicContact CD2-CD2 3.59Å; L339-M475 HydrophobicContact CD2-SD 3.98Å; L339-F479 HydrophobicContact CD1-CB 4.36Å; L339-F479 HydrophobicContact CD1-CD2 3.71Å; L339-F479 HydrophobicContact CD1-CE2 4.13Å; L339-F479 HydrophobicContact CD1-CG 3.98Å; L339-F479 HydrophobicContact CD2-CE2 4.5Å
340	V	98.5	Very high	92.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.9	178.1	178.8	0	0	0	0	110.3	M303 I305 E323 F324 W326 I338	M303-V340 HydrophobicContact CB-CG2 4.27Å; M303-V340 CarbonylContact O-C 3.52Å; M303-V340 VanDerWaalsContact O-CA 3.24Å; M303-V340 WeakPolarHBondContact O-CA 3.38Å; I305-V340 HydrophobicContact CD1-CG1 3.71Å; I305-V340 HydrophobicContact CG1-CG1 3.71Å; I305-V340 HydrophobicContact CG2-CG1 4.31Å; E323-V340 VanDerWaalsContact CA-O 3.25Å; E323-V340 WeakPolarHBondContact CA-O 3.48Å; F324-V340 HydrophobicContact CD2-CB 4.14Å; F324-V340 HydrophobicContact CD2-CG2 4.45Å; F324-V340 HydrophobicContact CE1-CB 4.37Å; F324-V340 HydrophobicContact CE1-CG1 4.16Å; F324-V340 HydrophobicContact CE2-CB 3.78Å; F324-V340 HydrophobicContact CE2-CG1 4.05Å; F324-V340 HydrophobicContact CE2-CG2 3.98Å; F324-V340 HydrophobicContact CZ-CB 3.91Å; F324-V340 HydrophobicContact CZ-CG1 3.69Å; F324-V340 HydrophobicContact CZ-CG2 4.46Å; F324-V340 PolarHBondContact N-O 2.84Å; F324-V340 PolarHBondContact O-N 2.8Å; W326-V340 HydrophobicContact CB-CG2 3.58Å; W326-V340 HydrophobicContact CD2-CG2 4.26Å; W326-V340 HydrophobicContact CE3-CG2 3.65Å; W326-V340 HydrophobicContact CG-CG2 4.32Å; I338-V340 HydrophobicContact CG2-CG2 4.26Å; I338-V340 PolarHBondContact O-N 2.86Å
341	H	98.5	Very high	93.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.5	164.3	-177.1	104.9	0	0	0	109.3	M303 I304 I305 E323 F343 Y406 Y460 F461	M303-H341 PolarHBondContact O-N 2.8Å; I304-H341 WeakPolarHBondContact CA-O 3.4Å; I304-H341 HydrophobicContact CG1-CB 4.24Å; I305-H341 PolarHBondContact N-O 2.78Å; E323-H341 HydrophobicContact CG-CB 4.44Å; E323-H341 IonicContact OE1-CE1 2.61Å; E323-H341 IonicContact OE1-ND1 3.55Å; E323-H341 PolarHBondContact OE1-ND1 2.87Å; E323-H341 VanDerWaalsContact OE1-ND1 3.14Å; H341-F343 AromaticContact NE2-CD1 3.97Å; H341-F343 AromaticContact NE2-CE1 3.81Å; H341-Y406 AromaticContact CE1-CE1 3.26Å; H341-Y406 WeakPolarHBondContact CE1-CE1 3.41Å; H341-Y406 AromaticContact CE1-CZ 3.49Å; H341-Y406 VanDerWaalsContact CE1-CZ 3.49Å; H341-Y406 PolarHBondContact CE1-OH 2.87Å; H341-Y406 AromaticContact ND1-CE1 3.8Å; H341-Y406 AromaticContact NE2-CE1 3.65Å; H341-Y406 AromaticContact NE2-CZ 3.58Å; H341-Y406 PolarHBondContact NE2-OH 2.85Å; H341-Y460 AromaticContact CE1-CZ 3.92Å; H341-Y460 PolarHBondContact CE1-OH 2.92Å; H341-Y460 VanDerWaalsContact CE1-OH 3.26Å; H341-Y460 AromaticContact ND1-CE1 3.76Å; H341-Y460 AromaticContact ND1-CZ 3.83Å; H341-Y460 PolarHBondContact ND1-OH 2.88Å; H341-F461 HydrophobicContact CB-CE1 4.35Å; H341-F461 HydrophobicContact CB-CZ 4.12Å
342	M	98.4	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.8	176.9	-175.3	-173.5	-65.6	0	0	110.7	I305 V308 K313 L316 L322 F324 Y406 F486	I305-M342 HydrophobicContact CD1-CB 4.31Å; I305-M342 HydrophobicContact CD1-CE 3.77Å; I305-M342 HydrophobicContact CD1-CG 4.28Å; I305-M342 HydrophobicContact CG1-CB 3.94Å; I305-M342 HydrophobicContact CG1-CG 4.03Å; V308-M342 HydrophobicContact CB-CE 4.41Å; V308-M342 HydrophobicContact CB-SD 4.27Å; V308-M342 HydrophobicContact CG1-CE 4.07Å; V308-M342 HydrophobicContact CG1-SD 4.12Å; V308-M342 HydrophobicContact CG2-CE 4.02Å; V308-M342 HydrophobicContact CG2-SD 4.34Å; K313-M342 HydrophobicContact CG-SD 4.04Å; L316-M342 HydrophobicContact CD1-CE 3.77Å; L316-M342 HydrophobicContact CD1-SD 4.07Å; L322-M342 HydrophobicContact CB-CB 4.44Å; L322-M342 HydrophobicContact CD2-CB 4.21Å; L322-M342 HydrophobicContact CD2-CG 4.21Å; L322-M342 HydrophobicContact CD2-SD 3.9Å; L322-M342 WeakPolarHBondContact O-CB 3.47Å; L322-M342 PolarHBondContact O-N 3.47Å; F324-M342 HydrophobicContact CE1-CB 4.33Å; F324-M342 HydrophobicContact CE1-CE 3.75Å; F324-M342 HydrophobicContact CZ-CE 3.91Å; M342-Y406 PolarHBondContact O-OH 3.09Å; M342-F486 HydrophobicContact CE-CD1 4.38Å; M342-F486 HydrophobicContact CE-CE1 3.61Å; M342-F486 HydrophobicContact CE-CE2 4.15Å; M342-F486 HydrophobicContact CE-CZ 3.46Å; M342-F486 VanDerWaalsContact CE-CZ 3.46Å
343	F	97.5	Very high	94.3	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	12%	0.115	C	C	.	.			trans	-73.9	134.8	170.9	-70.3	-55.1	0	0	0	111.8	W280 I282 I304 I305 N306 K313 H341 L413 P415	W280-F343 AromaticContact CH2-CE2 3.9Å; W280-F343 HydrophobicContact CH2-CE2 3.9Å; W280-F343 AromaticContact CH2-CZ 3.81Å; W280-F343 HydrophobicContact CH2-CZ 3.81Å; W280-F343 HydrophobicContact CZ2-CE2 4.39Å; W280-F343 HydrophobicContact CZ3-CE2 4.13Å; W280-F343 AromaticContact CZ3-CZ 3.98Å; W280-F343 HydrophobicContact CZ3-CZ 3.98Å; I282-F343 HydrophobicContact CG2-CD2 4.36Å; I282-F343 HydrophobicContact CG2-CE2 4.01Å; I304-F343 HydrophobicContact CG2-CD2 4.12Å; I304-F343 HydrophobicContact CG2-CE2 3.43Å; I304-F343 VanDerWaalsContact CG2-CE2 3.43Å; I304-F343 HydrophobicContact CG2-CZ 3.76Å; I305-F343 PolarHBondContact O-N 3.19Å; N306-F343 HydrophobicContact CB-CB 4.43Å; N306-F343 HydrophobicContact CB-CD2 4.08Å; K313-F343 VanDerWaalsContact CE-O 3.25Å; K313-F343 WeakPolarHBondContact CE-O 3.36Å; H341-F343 AromaticContact NE2-CD1 3.97Å; H341-F343 AromaticContact NE2-CE1 3.81Å; F343-L413 HydrophobicContact CE1-CD2 4.04Å; F343-L413 HydrophobicContact CE1-CG 4.3Å; F343-L413 HydrophobicContact CZ-CD2 3.93Å; F343-L413 HydrophobicContact CZ-CG 4.44Å; F343-P415 HydrophobicContact CD1-CG 4.5Å; F343-P415 HydrophobicContact CE1-CG 3.59Å; F343-P415 HydrophobicContact CE2-CG 3.91Å; F343-P415 HydrophobicContact CZ-CG 3.24Å
344	P	95.1	Very high	95	Very high	7 Å²	7	13.5 Å²	13.5	5%	0.045	8%	0.08	C	C	.	.			trans	-80.2	-19.7	-170	25.4	-32.6	0	0	0	114.6	L322 L405 Y406	L322-P344 HydrophobicContact CD1-CB 3.64Å; L322-P344 HydrophobicContact CD1-CG 4.33Å; P344-L405 HydrophobicContact CB-CD1 3.64Å; P344-L405 HydrophobicContact CG-CD1 3.92Å; P344-Y406 VanDerWaalsContact CD-OH 3.24Å; P344-Y406 WeakPolarHBondContact CD-OH 3.32Å
345	F	93.8	Very high	95.4	Very high	8 Å²	8	12.5 Å²	12.5	4%	0.035	7%	0.069	C	C	.	.	S	Bend	trans	-110.4	-176.7	-164.7	-54.5	-47.9	0	0	0	111.7	W142 K313 S347 H352 G355 P356 K402 L405	W142-F345 HydrophobicContact CH2-CD1 4.43Å; W142-F345 AromaticContact CH2-CE1 3.95Å; W142-F345 HydrophobicContact CH2-CE1 3.95Å; W142-F345 HydrophobicContact CZ2-CD1 4.01Å; W142-F345 AromaticContact CZ2-CE1 3.99Å; W142-F345 HydrophobicContact CZ2-CE1 3.99Å; W142-F345 HydrophobicContact CZ3-CE1 4.31Å; K313-F345 PolarHBondContact NZ-O 2.96Å; F345-S347 PolarHBondContact O-N 2.62Å; F345-H352 HydrophobicContact CB-CB 4.47Å; F345-H352 WeakPolarHBondContact CB-O 3.44Å; F345-H352 WeakPolarHBondContact CD2-O 3.43Å; F345-G355 WeakPolarHBondContact CE2-O 3.49Å; F345-P356 HydrophobicContact CE1-CB 3.69Å; F345-P356 HydrophobicContact CZ-CB 3.83Å; F345-P356 HydrophobicContact CZ-CG 4.48Å; F345-K402 HydrophobicContact CE2-CB 4.36Å; F345-K402 HydrophobicContact CE2-CD 4.03Å; F345-K402 HydrophobicContact CE2-CG 3.98Å; F345-K402 HydrophobicContact CZ-CB 4.43Å; F345-K402 HydrophobicContact CZ-CG 4.31Å; F345-L405 HydrophobicContact CE1-CD1 3.84Å; F345-L405 HydrophobicContact CZ-CD1 3.83Å
346	F	91.4	Very high	95.6	Very high	71 Å²	71	9.5 Å²	9.5	31%	0.311	5%	0.048	S	C	.	.	S	Bend	trans	-56.4	-46.9	-168.2	-179	-102.2	0	0	0	114.3	H352 D491	F346-H352 HydrophobicContact CB-CB 4.49Å; F346-H352 AromaticContact CD1-CE1 3.88Å; F346-H352 AromaticContact CD1-NE2 3.98Å; F346-D491 HydrophobicContact CE2-CB 3.84Å; F346-D491 WeakPolarHBondContact CE2-O 3.36Å; F346-D491 HydrophobicContact CZ-CB 4.25Å
347	S	93.1	Very high	95.7	Very high	17 Å²	17	11 Å²	11	12%	0.119	6%	0.055	C	C	.	.			trans	-150.2	177.8	-169	170.3	0	0	0	0	111.4	N306 F345 D349 H352	N306-S347 PolarHBondContact ND2-O 2.99Å; F345-S347 PolarHBondContact O-N 2.62Å; S347-D349 WeakPolarHBondContact CB-OD1 3.13Å; S347-D349 PolarHBondContact OG-OD1 2.77Å; S347-H352 WeakPolarHBondContact O-CB 3.39Å
348	Y	95.4	Very high	95.7	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.016	6%	0.058	C	C	.	.	S	Bend	trans	-96.5	-1.7	-177.4	53.2	-102.2	0	0	0	113.4	F167 I282 D283 N306 T353 D419	F167-Y348 HydrophobicContact CE2-CD2 4.27Å; F167-Y348 AromaticContact CZ-CD2 3.95Å; F167-Y348 HydrophobicContact CZ-CD2 3.95Å; I282-Y348 HydrophobicContact CB-CD1 4.03Å; I282-Y348 HydrophobicContact CB-CG 4.37Å; I282-Y348 HydrophobicContact CD1-CD1 3.81Å; I282-Y348 HydrophobicContact CD1-CD2 3.82Å; I282-Y348 HydrophobicContact CD1-CE1 4.28Å; I282-Y348 HydrophobicContact CD1-CE2 4.29Å; I282-Y348 HydrophobicContact CD1-CG 3.56Å; I282-Y348 HydrophobicContact CG1-CD1 4.12Å; I282-Y348 HydrophobicContact CG1-CG 4.34Å; D283-Y348 HydrophobicContact CB-CE1 3.92Å; D283-Y348 WeakPolarHBondContact OD1-CE1 3.38Å; D283-Y348 PolarHBondContact OD1-OH 2.79Å; D283-Y348 PolarHBondContact OD2-OH 3.48Å; N306-Y348 WeakPolarHBondContact ND2-CA 3.32Å; N306-Y348 WeakPolarHBondContact ND2-CB 3.24Å; N306-Y348 PolarHBondContact ND2-N 2.86Å; Y348-T353 VanDerWaalsContact C-CG2 3.46Å; Y348-T353 WeakPolarHBondContact O-CG2 2.98Å; Y348-D419 VanDerWaalsContact CE2-OD1 3.28Å; Y348-D419 WeakPolarHBondContact CE2-OD1 3.37Å; Y348-D419 PolarHBondContact OH-OD1 3.12Å
349	D	95.5	Very high	95.5	Very high	19 Å²	19	12.7 Å²	12.7	10%	0.102	7%	0.068	C	C	.	.	S	Bend	trans	-70.2	151.8	175	62.1	-52.5	0	0	0	111.5	S347 P351 H352 T353 G417 D418	S347-D349 WeakPolarHBondContact CB-OD1 3.13Å; S347-D349 PolarHBondContact OG-OD1 2.77Å; D349-P351 VanDerWaalsContact C-CD 3.43Å; D349-P351 VanDerWaalsContact C-N 3.33Å; D349-P351 VanDerWaalsContact O-N 3.14Å; D349-P351 VanDerWaalsContact OD2-CD 3.28Å; D349-P351 WeakPolarHBondContact OD2-CD 3.21Å; D349-P351 WeakPolarHBondContact OD2-CG 3.45Å; D349-H352 CarbonylContact O-C 3.5Å; D349-H352 WeakPolarHBondContact O-CA 3.35Å; D349-H352 PolarHBondContact O-N 2.85Å; D349-H352 IonicContact OD1-CE1 2.74Å; D349-H352 IonicContact OD1-CG 3.45Å; D349-H352 IonicContact OD1-ND1 3.25Å; D349-H352 PolarHBondContact OD1-ND1 3.37Å; D349-H352 IonicContact OD2-CE1 3.46Å; D349-H352 IonicContact OD2-ND1 3.23Å; D349-H352 PolarHBondContact OD2-ND1 2.88Å; D349-T353 WeakPolarHBondContact O-CG2 3.42Å; D349-T353 PolarHBondContact O-N 3.04Å; D349-T353 PolarHBondContact O-OG1 3.08Å; D349-G417 WeakPolarHBondContact CA-O 3.19Å; D349-D418 HydrophobicContact CB-CB 4.19Å; D349-D418 VanDerWaalsContact CB-OD2 3.25Å; D349-D418 WeakPolarHBondContact CB-OD2 3.39Å
350	V	95.5	Very high	95.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-47.2	-44.9	-176.5	-171.1	0	0	0	0	114.5	H352 T353 D365 L416 G417	V350-H352 PolarHBondContact O-N 2.98Å; V350-H352 VanDerWaalsContact O-N 3.14Å; V350-T353 WeakPolarHBondContact CA-OG1 3.36Å; V350-T353 PolarHBondContact O-N 2.82Å; V350-T353 PolarHBondContact O-OG1 2.96Å; V350-D365 HydrophobicContact CB-CB 3.87Å; V350-D365 HydrophobicContact CG1-CB 3.71Å; V350-D365 HydrophobicContact CG2-CB 4.28Å; V350-L416 HydrophobicContact CB-CD1 4.49Å; V350-L416 HydrophobicContact CG1-CD1 3.73Å; V350-L416 HydrophobicContact CG2-CD1 3.88Å; V350-G417 VanDerWaalsContact CG2-O 3.29Å; V350-G417 WeakPolarHBondContact CG2-O 3.37Å; V350-G417 PolarHBondContact N-O 3.16Å; V350-G417 VanDerWaalsContact N-O 3.14Å
351	P	95.4	Very high	95.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-55	-28.6	174.9	-26.8	34.7	0	0	0	114.6	D349 P358 C361 C362 W376	D349-P351 VanDerWaalsContact C-CD 3.43Å; D349-P351 VanDerWaalsContact C-N 3.33Å; D349-P351 VanDerWaalsContact O-N 3.14Å; D349-P351 VanDerWaalsContact OD2-CD 3.28Å; D349-P351 WeakPolarHBondContact OD2-CD 3.21Å; D349-P351 WeakPolarHBondContact OD2-CG 3.45Å; P351-P358 HydrophobicContact CB-CB 4.43Å; P351-P358 WeakPolarHBondContact O-CA 3.49Å; P351-P358 WeakPolarHBondContact O-CB 3.36Å; P351-C361 WeakPolarHBondContact O-CB 3.49Å; P351-C362 HydrophobicContact CB-CB 4.21Å; P351-C362 HydrophobicContact CG-CB 4.13Å; P351-W376 HydrophobicContact CB-CH2 4.03Å; P351-W376 HydrophobicContact CB-CZ3 3.87Å; P351-W376 HydrophobicContact CG-CZ3 4.48Å
352	H	95.1	Very high	95.2	Very high	30 Å²	30	13.3 Å²	13.3	14%	0.139	7%	0.072	C	C	.	.	H	α-helix	trans	-107.5	7.2	-176.7	-57.9	104.4	0	0	0	113.4	F345 F346 S347 D349 V350 W376	F345-H352 HydrophobicContact CB-CB 4.47Å; F345-H352 WeakPolarHBondContact CB-O 3.44Å; F345-H352 WeakPolarHBondContact CD2-O 3.43Å; F346-H352 HydrophobicContact CB-CB 4.49Å; F346-H352 AromaticContact CD1-CE1 3.88Å; F346-H352 AromaticContact CD1-NE2 3.98Å; S347-H352 WeakPolarHBondContact O-CB 3.39Å; D349-H352 CarbonylContact O-C 3.5Å; D349-H352 WeakPolarHBondContact O-CA 3.35Å; D349-H352 PolarHBondContact O-N 2.85Å; D349-H352 IonicContact OD1-CE1 2.74Å; D349-H352 IonicContact OD1-CG 3.45Å; D349-H352 IonicContact OD1-ND1 3.25Å; D349-H352 PolarHBondContact OD1-ND1 3.37Å; D349-H352 IonicContact OD2-CE1 3.46Å; D349-H352 IonicContact OD2-ND1 3.23Å; D349-H352 PolarHBondContact OD2-ND1 2.88Å; V350-H352 PolarHBondContact O-N 2.98Å; V350-H352 VanDerWaalsContact O-N 3.14Å; H352-W376 AromaticContact NE2-CH2 3.92Å
353	T	95.6	Very high	95.2	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-114.5	-26.6	-177.2	57.2	0	0	0	0	114.7	Y348 D349 V350 G355 K402 P415	Y348-T353 VanDerWaalsContact C-CG2 3.46Å; Y348-T353 WeakPolarHBondContact O-CG2 2.98Å; D349-T353 WeakPolarHBondContact O-CG2 3.42Å; D349-T353 PolarHBondContact O-N 3.04Å; D349-T353 PolarHBondContact O-OG1 3.08Å; V350-T353 WeakPolarHBondContact CA-OG1 3.36Å; V350-T353 PolarHBondContact O-N 2.82Å; V350-T353 PolarHBondContact O-OG1 2.96Å; T353-G355 VanDerWaalsContact C-N 3.31Å; T353-G355 PolarHBondContact O-N 3.29Å; T353-K402 WeakPolarHBondContact O-CD 3.44Å; T353-K402 PolarHBondContact O-NZ 2.67Å; T353-P415 WeakPolarHBondContact CB-O 2.9Å; T353-P415 HydrophobicContact CG2-CB 4.06Å; T353-P415 HydrophobicContact CG2-CG 3.96Å; T353-P415 PolarHBondContact OG1-O 3.34Å
354	C	95.5	Very high	95.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-69.3	-30	-176.6	108.5	0	0	0	0	112.8	C361 Y399	C354-C361 VanDerWaalsContact C-SG 3.55Å; C354-C361 HydrophobicContact CB-CB 3.67Å; C354-C361 WeakPolarHBondContact CB-SG 3.32Å; C354-C361 WeakPolarHBondContact SG-CA 3.38Å; C354-C361 WeakPolarHBondContact SG-CB 3.44Å; C354-C361 CovalentContact SG-SG 2.03Å; C354-C361 PolarHBondContact SG-SG 3.12Å; C354-Y399 HydrophobicContact CB-CE1 4.21Å; C354-Y399 VanDerWaalsContact O-CD1 3.25Å; C354-Y399 WeakPolarHBondContact O-CD1 3.4Å
355	G	95.5	Very high	95.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.073	C	C	.	.			trans	170.8	-177.8	-171.8	0	0	0	0	0	111.8	F345 T353 E357 C361	F345-G355 WeakPolarHBondContact CE2-O 3.49Å; T353-G355 VanDerWaalsContact C-N 3.31Å; T353-G355 PolarHBondContact O-N 3.29Å; G355-E357 VanDerWaalsContact C-N 3.32Å; G355-E357 PolarHBondContact O-N 2.79Å; G355-C361 PolarHBondContact N-SG 3.18Å
356	P	94.7	Very high	95.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.013	7%	0.072	C	C	.	.	S	Bend	trans	-74.9	-14.8	-171.8	32	-39.3	0	0	0	114.4	V141 W142 I148 F345 P358 K401	V141-P356 HydrophobicContact CG2-CB 3.67Å; V141-P356 HydrophobicContact CG2-CG 3.86Å; W142-P356 WeakPolarHBondContact CB-O 3.48Å; W142-P356 HydrophobicContact CD2-CB 4.33Å; W142-P356 HydrophobicContact CE3-CB 3.4Å; W142-P356 VanDerWaalsContact CE3-CB 3.4Å; W142-P356 HydrophobicContact CH2-CB 4.28Å; W142-P356 HydrophobicContact CZ3-CB 3.39Å; I148-P356 HydrophobicContact CD1-CB 4.14Å; I148-P356 HydrophobicContact CD1-CG 4.22Å; F345-P356 HydrophobicContact CE1-CB 3.69Å; F345-P356 HydrophobicContact CZ-CB 3.83Å; F345-P356 HydrophobicContact CZ-CG 4.48Å; P356-P358 WeakPolarHBondContact O-CD 3.26Å; P356-K401 HydrophobicContact CG-CB 3.7Å; P356-K401 HydrophobicContact CG-CD 3.78Å; P356-K401 HydrophobicContact CG-CG 4.31Å
357	E	95	Very high	95.7	Very high	50 Å²	50	10.3 Å²	10.3	23%	0.234	6%	0.059	C	C	.	.			trans	-102.4	96.2	-179	-73	168.8	113.6	0	0	111.2	V141 G355 A359 V360 C361 Q398 K401	V141-E357 HydrophobicContact CB-CG 3.53Å; V141-E357 HydrophobicContact CG1-CG 4.3Å; V141-E357 HydrophobicContact CG2-CG 3.57Å; G355-E357 VanDerWaalsContact C-N 3.32Å; G355-E357 PolarHBondContact O-N 2.79Å; E357-A359 VanDerWaalsContact C-N 3.27Å; E357-A359 PolarHBondContact O-N 2.85Å; E357-V360 HydrophobicContact CB-CB 3.93Å; E357-V360 HydrophobicContact CB-CG2 3.8Å; E357-V360 WeakPolarHBondContact O-CA 3.38Å; E357-V360 WeakPolarHBondContact O-CB 3.34Å; E357-V360 PolarHBondContact O-N 2.87Å; E357-C361 PolarHBondContact O-N 2.77Å; E357-Q398 VanDerWaalsContact N-OE1 3.07Å; E357-Q398 PolarHBondContact OE2-NE2 3.12Å; E357-K401 IonicContact OE2-NZ 3.22Å; E357-K401 PolarHBondContact OE2-NZ 3.02Å
358	P	94.4	Very high	95.8	Very high	20 Å²	20	10.7 Å²	10.7	13%	0.13	6%	0.057	C	C	.	.	H	α-helix	trans	-70	-25.9	-170.6	30.2	-38.9	0	0	0	113.5	P351 P356 V360 C361 C362 W376	P351-P358 HydrophobicContact CB-CB 4.43Å; P351-P358 WeakPolarHBondContact O-CA 3.49Å; P351-P358 WeakPolarHBondContact O-CB 3.36Å; P356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-V360 PolarHBondContact O-N 3.18Å; P358-C361 PolarHBondContact O-N 2.88Å; P358-C362 VanDerWaalsContact O-CB 3.26Å; P358-C362 WeakPolarHBondContact O-CB 3.34Å; P358-C362 PolarHBondContact O-N 3Å; P358-W376 HydrophobicContact CB-CH2 3.5Å; P358-W376 VanDerWaalsContact CB-CH2 3.5Å; P358-W376 HydrophobicContact CB-CZ2 3.51Å; P358-W376 HydrophobicContact CB-CZ3 4.16Å; P358-W376 HydrophobicContact CG-CH2 4.03Å; P358-W376 HydrophobicContact CG-CZ2 3.47Å; P358-W376 VanDerWaalsContact CG-CZ2 3.47Å
359	A	94.3	Very high	95.6	Very high	23 Å²	23	13.1 Å²	13.1	19%	0.19	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-26.3	169.9	0	0	0	0	0	113.5	E357 Q363 W376	E357-A359 VanDerWaalsContact C-N 3.27Å; E357-A359 PolarHBondContact O-N 2.85Å; A359-Q363 WeakPolarHBondContact O-CG 3.5Å; A359-Q363 PolarHBondContact O-NE2 2.81Å; A359-W376 HydrophobicContact CB-CB 3.62Å; A359-W376 HydrophobicContact CB-CD2 3.91Å; A359-W376 HydrophobicContact CB-CE3 4.46Å; A359-W376 HydrophobicContact CB-CG 3.49Å; A359-W376 VanDerWaalsContact CB-CG 3.49Å
360	V	96.3	Very high	95.5	Very high	21 Å²	21	17.1 Å²	17.1	13%	0.127	9%	0.091	C	C	.	.	H	α-helix	trans	-82.2	-51.1	173.6	174.9	0	0	0	0	109.1	E357 P358 C362 Q363 F364 M394 Q398	E357-V360 HydrophobicContact CB-CB 3.93Å; E357-V360 HydrophobicContact CB-CG2 3.8Å; E357-V360 WeakPolarHBondContact O-CA 3.38Å; E357-V360 WeakPolarHBondContact O-CB 3.34Å; E357-V360 PolarHBondContact O-N 2.87Å; P358-V360 PolarHBondContact O-N 3.18Å; V360-C362 VanDerWaalsContact C-N 3.29Å; V360-C362 PolarHBondContact O-N 3.43Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 3.02Å; V360-F364 HydrophobicContact CG1-CE2 3.91Å; V360-F364 WeakPolarHBondContact O-CD2 3.35Å; V360-M394 HydrophobicContact CG1-CG 3.48Å; V360-M394 VanDerWaalsContact CG1-CG 3.48Å; V360-M394 HydrophobicContact CG1-SD 3.81Å; V360-Q398 HydrophobicContact CB-CG 4.28Å; V360-Q398 HydrophobicContact CG1-CG 3.63Å
361	C	96.7	Very high	95	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-37	-179.5	-67.9	0	0	0	0	113.9	P351 C354 G355 E357 P358 Q363 F364	P351-C361 WeakPolarHBondContact O-CB 3.49Å; C354-C361 VanDerWaalsContact C-SG 3.55Å; C354-C361 HydrophobicContact CB-CB 3.67Å; C354-C361 WeakPolarHBondContact CB-SG 3.32Å; C354-C361 WeakPolarHBondContact SG-CA 3.38Å; C354-C361 WeakPolarHBondContact SG-CB 3.44Å; C354-C361 CovalentContact SG-SG 2.03Å; C354-C361 PolarHBondContact SG-SG 3.12Å; G355-C361 PolarHBondContact N-SG 3.18Å; E357-C361 PolarHBondContact O-N 2.77Å; P358-C361 PolarHBondContact O-N 2.88Å; C361-Q363 PolarHBondContact O-N 3.45Å; C361-Q363 VanDerWaalsContact O-N 3.11Å; C361-F364 PolarHBondContact O-N 2.65Å
362	C	96.3	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.7	175.3	-162	0	0	0	0	112.5	P351 P358 V360 F364 D365 R368 C374 W376	P351-C362 HydrophobicContact CB-CB 4.21Å; P351-C362 HydrophobicContact CG-CB 4.13Å; P358-C362 VanDerWaalsContact O-CB 3.26Å; P358-C362 WeakPolarHBondContact O-CB 3.34Å; P358-C362 PolarHBondContact O-N 3Å; V360-C362 VanDerWaalsContact C-N 3.29Å; V360-C362 PolarHBondContact O-N 3.43Å; C362-F364 PolarHBondContact O-N 2.88Å; C362-D365 PolarHBondContact O-N 2.83Å; C362-R368 WeakPolarHBondContact SG-CD 3.35Å; C362-C374 HydrophobicContact CB-CB 4.06Å; C362-C374 WeakPolarHBondContact CB-SG 3.49Å; C362-C374 WeakPolarHBondContact SG-CA 3.37Å; C362-C374 WeakPolarHBondContact SG-CB 3.33Å; C362-C374 CovalentContact SG-SG 2.04Å; C362-C374 PolarHBondContact SG-SG 2.88Å; C362-W376 HydrophobicContact CB-CE3 4.04Å; C362-W376 HydrophobicContact CB-CZ3 4Å
363	Q	97.1	Very high	94.6	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.089	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-78	-0.7	179.3	-50.6	170.2	43.4	0	0	113.8	A359 V360 C361 K378 P380 R391	A359-Q363 WeakPolarHBondContact O-CG 3.5Å; A359-Q363 PolarHBondContact O-NE2 2.81Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 3.02Å; C361-Q363 PolarHBondContact O-N 3.45Å; C361-Q363 VanDerWaalsContact O-N 3.11Å; Q363-K378 HydrophobicContact CG-CB 4.25Å; Q363-P380 WeakPolarHBondContact O-CA 3.44Å; Q363-P380 WeakPolarHBondContact O-CB 3.4Å; Q363-R391 PolarHBondContact O-NH2 2.98Å
364	F	97.6	Very high	94.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-113.6	12.6	174.6	-61.1	-82	0	0	0	112.2	V360 C361 C362 F366 R391 M394 L395 Y435 L438	V360-F364 HydrophobicContact CG1-CE2 3.91Å; V360-F364 WeakPolarHBondContact O-CD2 3.35Å; C361-F364 PolarHBondContact O-N 2.65Å; C362-F364 PolarHBondContact O-N 2.88Å; F364-F366 HydrophobicContact CD1-CZ 4.17Å; F364-R391 HydrophobicContact CE1-CB 4.43Å; F364-R391 WeakPolarHBondContact CZ-O 3.39Å; F364-M394 HydrophobicContact CE2-CG 4.14Å; F364-M394 HydrophobicContact CE2-SD 4.21Å; F364-M394 HydrophobicContact CZ-CB 4.2Å; F364-M394 HydrophobicContact CZ-CG 4.13Å; F364-M394 HydrophobicContact CZ-SD 4.24Å; F364-L395 HydrophobicContact CB-CD1 4.36Å; F364-L395 HydrophobicContact CD1-CB 4.24Å; F364-L395 HydrophobicContact CD1-CD1 4.05Å; F364-L395 HydrophobicContact CD1-CD2 3.94Å; F364-L395 HydrophobicContact CD1-CG 4.3Å; F364-L395 HydrophobicContact CD2-CD1 3.82Å; F364-L395 HydrophobicContact CE1-CB 3.68Å; F364-L395 HydrophobicContact CE1-CD1 4.28Å; F364-L395 HydrophobicContact CE1-CD2 4.12Å; F364-L395 HydrophobicContact CE1-CG 4.24Å; F364-L395 HydrophobicContact CE2-CB 4.14Å; F364-L395 HydrophobicContact CE2-CD1 4.06Å; F364-L395 HydrophobicContact CG-CD1 3.81Å; F364-L395 HydrophobicContact CG-CD2 4.47Å; F364-L395 HydrophobicContact CZ-CB 3.62Å; F364-L395 HydrophobicContact CZ-CD1 4.29Å; F364-L395 HydrophobicContact CZ-CG 4.43Å; F364-Y435 WeakPolarHBondContact O-CE2 3.49Å; F364-Y435 PolarHBondContact O-OH 3.18Å; F364-L438 HydrophobicContact CD1-CD1 4.01Å; F364-L438 HydrophobicContact CE1-CD1 4.21Å
365	D	97	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.			trans	-102.9	83.9	164.8	-172.2	-2.3	0	0	0	108.4	V350 C362 I367 R368 P380 R421 Q431	V350-D365 HydrophobicContact CB-CB 3.87Å; V350-D365 HydrophobicContact CG1-CB 3.71Å; V350-D365 HydrophobicContact CG2-CB 4.28Å; C362-D365 PolarHBondContact O-N 2.83Å; D365-I367 VanDerWaalsContact C-N 3.3Å; D365-I367 PolarHBondContact O-N 2.79Å; D365-R368 HydrophobicContact CB-CG 3.91Å; D365-R368 WeakPolarHBondContact O-CB 3.31Å; D365-R368 PolarHBondContact O-N 2.76Å; D365-R368 WeakPolarHBondContact OD2-CD 3.35Å; D365-R368 WeakPolarHBondContact OD2-CG 3.28Å; D365-R368 IonicContact OD2-CZ 2.72Å; D365-R368 IonicContact OD2-NE 3.53Å; D365-R368 PolarHBondContact OD2-NE 3.2Å; D365-R368 IonicContact OD2-NH2 2.65Å; D365-P380 WeakPolarHBondContact O-CG 3.41Å; D365-R421 IonicContact OD1-NH2 3.84Å; D365-R421 PolarHBondContact OD1-NH2 2.85Å; D365-R421 IonicContact OD2-NH2 3.01Å; D365-R421 PolarHBondContact OD2-NH2 2.84Å; D365-Q431 PolarHBondContact OD1-NE2 2.78Å
366	F	97.7	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.2	-28.1	-160.5	-64.5	-74.7	0	0	0	114.5	F364 R368 T369 P380 V381 F382 I383 V430 N434 Y435 L438	F364-F366 HydrophobicContact CD1-CZ 4.17Å; F366-R368 PolarHBondContact O-N 2.99Å; F366-T369 WeakPolarHBondContact O-CB 3.38Å; F366-T369 PolarHBondContact O-N 3.41Å; F366-T369 PolarHBondContact O-OG1 3.4Å; F366-T369 VanDerWaalsContact O-OG1 3.11Å; F366-P380 HydrophobicContact CD1-CB 4.19Å; F366-V381 WeakPolarHBondContact CE1-O 3.49Å; F366-F382 HydrophobicContact CB-CD1 4.21Å; F366-F382 HydrophobicContact CB-CE1 4.05Å; F366-F382 HydrophobicContact CD1-CD1 4.15Å; F366-I383 HydrophobicContact CE1-CD1 3.93Å; F366-I383 HydrophobicContact CE1-CG1 3.78Å; F366-I383 HydrophobicContact CZ-CD1 4.03Å; F366-I383 HydrophobicContact CZ-CG1 3.69Å; F366-V430 HydrophobicContact CB-CG1 3.5Å; F366-V430 VanDerWaalsContact CB-CG1 3.5Å; F366-N434 HydrophobicContact CD1-CB 3.94Å; F366-N434 HydrophobicContact CD2-CB 3.39Å; F366-N434 HydrophobicContact CE1-CB 3.88Å; F366-N434 HydrophobicContact CE2-CB 3.33Å; F366-N434 HydrophobicContact CG-CB 3.71Å; F366-N434 HydrophobicContact CZ-CB 3.58Å; F366-Y435 HydrophobicContact CD2-CD2 4.08Å; F366-Y435 HydrophobicContact CD2-CE2 4.05Å; F366-Y435 AromaticContact CE2-CD2 3.72Å; F366-Y435 HydrophobicContact CE2-CD2 3.72Å; F366-Y435 AromaticContact CE2-CE2 3.71Å; F366-Y435 HydrophobicContact CE2-CE2 3.71Å; F366-Y435 HydrophobicContact CE2-CG 4.45Å; F366-L438 HydrophobicContact CE2-CD1 4.42Å; F366-L438 HydrophobicContact CZ-CD1 3.95Å
367	I	95.9	Very high	94	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-67.3	-14.7	174.2	-166	64.9	0	0	0	111.8	D365 T369 E370 K371 E427	D365-I367 VanDerWaalsContact C-N 3.3Å; D365-I367 PolarHBondContact O-N 2.79Å; I367-T369 PolarHBondContact O-N 2.72Å; I367-E370 HydrophobicContact CD1-CB 4.44Å; I367-E370 PolarHBondContact O-N 3.04Å; I367-K371 HydrophobicContact CG1-CB 4.39Å; I367-K371 PolarHBondContact O-N 3.45Å; I367-E427 HydrophobicContact CB-CG 4.11Å; I367-E427 HydrophobicContact CD1-CB 4.2Å; I367-E427 HydrophobicContact CD1-CG 4.41Å; I367-E427 HydrophobicContact CG1-CB 4.25Å; I367-E427 HydrophobicContact CG1-CG 3.95Å; I367-E427 HydrophobicContact CG2-CG 4.18Å
368	R	95.2	Very high	93.8	Very high	24 Å²	24	50.8 Å²	50.8	9%	0.091	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.6	-18.8	174.2	-69	-174.1	177.9	-104.1	0.3	114.6	C362 D365 F366 E370 K371 G373 P380 D418	C362-R368 WeakPolarHBondContact SG-CD 3.35Å; D365-R368 HydrophobicContact CB-CG 3.91Å; D365-R368 WeakPolarHBondContact O-CB 3.31Å; D365-R368 PolarHBondContact O-N 2.76Å; D365-R368 WeakPolarHBondContact OD2-CD 3.35Å; D365-R368 WeakPolarHBondContact OD2-CG 3.28Å; D365-R368 IonicContact OD2-CZ 2.72Å; D365-R368 IonicContact OD2-NE 3.53Å; D365-R368 PolarHBondContact OD2-NE 3.2Å; D365-R368 IonicContact OD2-NH2 2.65Å; F366-R368 PolarHBondContact O-N 2.99Å; R368-E370 PolarHBondContact O-N 3.18Å; R368-K371 CarbonylContact C-O 3.41Å; R368-K371 WeakPolarHBondContact CA-O 3.45Å; R368-G373 WeakPolarHBondContact CD-O 3.44Å; R368-G373 PolarHBondContact NH1-O 2.9Å; R368-G373 VanDerWaalsContact NH1-O 3.08Å; R368-G373 VanDerWaalsContact O-CA 3.32Å; R368-G373 WeakPolarHBondContact O-CA 3.4Å; R368-G373 PolarHBondContact O-N 2.85Å; R368-P380 HydrophobicContact CB-CG 3.8Å; R368-D418 IonicContact NH2-OD2 2.88Å; R368-D418 PolarHBondContact NH2-OD2 2.91Å
369	T	92.3	Very high	93.8	Very high	55 Å²	55	54.1 Å²	54.1	34%	0.337	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-64.8	-30.9	172.2	-52.8	0	0	0	0	111.7	F366 I367 P380	F366-T369 WeakPolarHBondContact O-CB 3.38Å; F366-T369 PolarHBondContact O-N 3.41Å; F366-T369 PolarHBondContact O-OG1 3.4Å; F366-T369 VanDerWaalsContact O-OG1 3.11Å; I367-T369 PolarHBondContact O-N 2.72Å; T369-P380 WeakPolarHBondContact OG1-CB 3.11Å; T369-P380 PolarHBondContact OG1-O 2.98Å
370	E	91.7	Very high	93.9	Very high	104 Å²	104	53.4 Å²	53.4	49%	0.486	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-33.1	-172.4	-58.5	177.9	-165	0	0	112.6	I367 R368 H426	I367-E370 HydrophobicContact CD1-CB 4.44Å; I367-E370 PolarHBondContact O-N 3.04Å; R368-E370 PolarHBondContact O-N 3.18Å; E370-H426 IonicContact OE1-CE1 3.79Å; E370-H426 IonicContact OE1-NE2 3.33Å; E370-H426 PolarHBondContact OE1-NE2 2.83Å; E370-H426 IonicContact OE2-CD2 3.48Å; E370-H426 PolarHBondContact OE2-CD2 2.75Å; E370-H426 IonicContact OE2-CE1 3.79Å; E370-H426 IonicContact OE2-NE2 2.7Å; E370-H426 PolarHBondContact OE2-NE2 2.97Å
371	K	86.6	Confident	93.8	Very high	85 Å²	85	55.8 Å²	55.8	37%	0.37	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	148.3	-175.9	-162.6	176.4	178	-166.7	0	109.3	I367 R368 G373	I367-K371 HydrophobicContact CG1-CB 4.39Å; I367-K371 PolarHBondContact O-N 3.45Å; R368-K371 CarbonylContact C-O 3.41Å; R368-K371 WeakPolarHBondContact CA-O 3.45Å; K371-G373 VanDerWaalsContact C-N 3.27Å; K371-G373 PolarHBondContact O-N 3.34Å
372	Y	88.7	Confident	93.9	Very high	116 Å²	116	59.7 Å²	59.7	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-42.8	176.1	-37.1	-72.7	0	0	0	118.8
373	G	92.1	Very high	94	Very high	22 Å²	22	59.8 Å²	59.8	23%	0.227	28%	0.283	C	S	.	.			trans	69.1	-174.6	-174.2	0	0	0	0	0	114.7	R368 K371	R368-G373 WeakPolarHBondContact CD-O 3.44Å; R368-G373 PolarHBondContact NH1-O 2.9Å; R368-G373 VanDerWaalsContact NH1-O 3.08Å; R368-G373 VanDerWaalsContact O-CA 3.32Å; R368-G373 WeakPolarHBondContact O-CA 3.4Å; R368-G373 PolarHBondContact O-N 2.85Å; K371-G373 VanDerWaalsContact C-N 3.27Å; K371-G373 PolarHBondContact O-N 3.34Å
374	C	93.8	Very high	94	Very high	15 Å²	15	62.2 Å²	62.2	10%	0.101	30%	0.297	C	S	.	.			trans	-122	125.8	178	-75.1	0	0	0	0	111.3	C362 W376 R377 K378	C362-C374 HydrophobicContact CB-CB 4.06Å; C362-C374 WeakPolarHBondContact CB-SG 3.49Å; C362-C374 WeakPolarHBondContact SG-CA 3.37Å; C362-C374 WeakPolarHBondContact SG-CB 3.33Å; C362-C374 CovalentContact SG-SG 2.04Å; C362-C374 PolarHBondContact SG-SG 2.88Å; C374-W376 PolarHBondContact O-N 3.36Å; C374-W376 VanDerWaalsContact O-N 3.16Å; C374-R377 PolarHBondContact O-N 2.97Å; C374-K378 VanDerWaalsContact CB-O 3.3Å; C374-K378 WeakPolarHBondContact CB-O 3.32Å; C374-K378 PolarHBondContact SG-O 3.04Å; C374-K378 VanDerWaalsContact SG-O 3.36Å
375	P	90.3	Very high	93.9	Very high	99 Å²	99	69.6 Å²	69.6	64%	0.643	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.4	179	-27.9	34.8	0	0	0	114	R377	P375-R377 PolarHBondContact O-N 3.01Å
376	W	92.8	Very high	94	Very high	97 Å²	97	74.8 Å²	74.8	37%	0.367	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	8.5	179.4	-54.1	-87	0	0	0	114.6	P351 H352 P358 A359 C362 C374 K378	P351-W376 HydrophobicContact CB-CH2 4.03Å; P351-W376 HydrophobicContact CB-CZ3 3.87Å; P351-W376 HydrophobicContact CG-CZ3 4.48Å; H352-W376 AromaticContact NE2-CH2 3.92Å; P358-W376 HydrophobicContact CB-CH2 3.5Å; P358-W376 VanDerWaalsContact CB-CH2 3.5Å; P358-W376 HydrophobicContact CB-CZ2 3.51Å; P358-W376 HydrophobicContact CB-CZ3 4.16Å; P358-W376 HydrophobicContact CG-CH2 4.03Å; P358-W376 HydrophobicContact CG-CZ2 3.47Å; P358-W376 VanDerWaalsContact CG-CZ2 3.47Å; A359-W376 HydrophobicContact CB-CB 3.62Å; A359-W376 HydrophobicContact CB-CD2 3.91Å; A359-W376 HydrophobicContact CB-CE3 4.46Å; A359-W376 HydrophobicContact CB-CG 3.49Å; A359-W376 VanDerWaalsContact CB-CG 3.49Å; C362-W376 HydrophobicContact CB-CE3 4.04Å; C362-W376 HydrophobicContact CB-CZ3 4Å; C374-W376 PolarHBondContact O-N 3.36Å; C374-W376 VanDerWaalsContact O-N 3.16Å; W376-K378 PolarHBondContact O-N 3.45Å; W376-K378 VanDerWaalsContact O-N 3.08Å
377	R	91.6	Very high	94	Very high	235 Å²	235	76 Å²	76	89%	0.887	38%	0.379	S	S	*	.	S	Bend	trans	56.6	24.1	178.3	-53	-179.8	-177.3	177.7	0.2	114.5	C374 P375	C374-R377 PolarHBondContact O-N 2.97Å; P375-R377 PolarHBondContact O-N 3.01Å
378	K	92.4	Very high	94.1	Very high	124 Å²	124	76.5 Å²	76.5	54%	0.539	38%	0.383	S	S	.	.			trans	-115.8	101.6	171	-66.4	-176.5	-178	-179.4	0	107.8	Q363 C374 W376	Q363-K378 HydrophobicContact CG-CB 4.25Å; C374-K378 VanDerWaalsContact CB-O 3.3Å; C374-K378 WeakPolarHBondContact CB-O 3.32Å; C374-K378 PolarHBondContact SG-O 3.04Å; C374-K378 VanDerWaalsContact SG-O 3.36Å; W376-K378 PolarHBondContact O-N 3.45Å; W376-K378 VanDerWaalsContact O-N 3.08Å
379	L	93.6	Very high	94.2	Very high	91 Å²	91	77.4 Å²	77.4	48%	0.476	40%	0.396	S	S	.	.			trans	-76.2	157.5	-178.4	-69	175.1	0	0	0	111.5
380	P	96.6	Very high	94.5	Very high	7 Å²	7	79.6 Å²	79.6	5%	0.045	41%	0.408	C	S	.	.			trans	-58.2	154.2	166.7	-12.6	23.7	0	0	0	111.9	Q363 D365 F366 R368 T369	Q363-P380 WeakPolarHBondContact O-CA 3.44Å; Q363-P380 WeakPolarHBondContact O-CB 3.4Å; D365-P380 WeakPolarHBondContact O-CG 3.41Å; F366-P380 HydrophobicContact CD1-CB 4.19Å; R368-P380 HydrophobicContact CB-CG 3.8Å; T369-P380 WeakPolarHBondContact OG1-CB 3.11Å; T369-P380 PolarHBondContact OG1-O 2.98Å
381	V	94.9	Very high	94.8	Very high	72 Å²	72	75.5 Å²	75.5	44%	0.436	39%	0.389	S	S	.	.			trans	-125.1	125.4	172.7	-179.1	0	0	0	0	106.9	F366	F366-V381 WeakPolarHBondContact CE1-O 3.49Å
382	F	97.5	Very high	95.4	Very high	82 Å²	82	71.5 Å²	71.5	36%	0.36	37%	0.371	S	S	.	.			trans	-60.2	143.8	176.7	-64.1	-36.9	0	0	0	111	F366 N387 V430 N434	F366-F382 HydrophobicContact CB-CD1 4.21Å; F366-F382 HydrophobicContact CB-CE1 4.05Å; F366-F382 HydrophobicContact CD1-CD1 4.15Å; F382-N387 PolarHBondContact O-ND2 2.78Å; F382-V430 HydrophobicContact CE1-CG1 3.68Å; F382-V430 HydrophobicContact CZ-CG1 4.29Å; F382-N434 WeakPolarHBondContact CA-OD1 3.37Å; F382-N434 WeakPolarHBondContact CD1-ND2 3.23Å
383	I	98.3	Very high	95.8	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.372	C	S	.	.			trans	-85.2	128.7	-173.8	-52.2	-57	0	0	0	109.4	F366 N387 V388 R391 N434 K437 L438	F366-I383 HydrophobicContact CE1-CD1 3.93Å; F366-I383 HydrophobicContact CE1-CG1 3.78Å; F366-I383 HydrophobicContact CZ-CD1 4.03Å; F366-I383 HydrophobicContact CZ-CG1 3.69Å; I383-N387 WeakPolarHBondContact CA-OD1 3.24Å; I383-V388 HydrophobicContact CG2-CB 3.82Å; I383-V388 HydrophobicContact CG2-CG2 3.76Å; I383-R391 HydrophobicContact CD1-CB 3.72Å; I383-R391 HydrophobicContact CD1-CG 3.78Å; I383-N434 HydrophobicContact CB-CB 4.39Å; I383-N434 HydrophobicContact CG1-CB 3.99Å; I383-N434 PolarHBondContact N-OD1 3.27Å; I383-K437 HydrophobicContact CB-CB 4.28Å; I383-K437 HydrophobicContact CB-CD 4.12Å; I383-K437 HydrophobicContact CG2-CB 3.65Å; I383-K437 HydrophobicContact CG2-CD 4.05Å; I383-K437 WeakPolarHBondContact O-CD 3.25Å; I383-K437 WeakPolarHBondContact O-CE 3.35Å; I383-K437 PolarHBondContact O-NZ 2.74Å; I383-L438 HydrophobicContact CD1-CD1 4.16Å; I383-L438 HydrophobicContact CD1-CD2 4.06Å; I383-L438 HydrophobicContact CD1-CG 4.23Å; I383-L438 HydrophobicContact CG1-CD1 3.96Å; I383-L438 HydrophobicContact CG1-CD2 4.29Å; I383-L438 HydrophobicContact CG1-CG 3.94Å; I383-L438 HydrophobicContact CG2-CD2 4.33Å; I383-L438 HydrophobicContact CG2-CG 4.27Å
384	D	97.3	Very high	96.1	Very high	70 Å²	70	72 Å²	72	37%	0.374	38%	0.376	S	S	.	.			trans	-140.6	175.3	173.9	62.9	46.4	0	0	0	109.8	S386 N387 V388	D384-S386 PolarHBondContact O-N 3.3Å; D384-S386 VanDerWaalsContact O-N 3.14Å; D384-S386 WeakPolarHBondContact OD1-CA 3.49Å; D384-S386 VanDerWaalsContact OD1-CB 3.28Å; D384-S386 WeakPolarHBondContact OD1-CB 3.31Å; D384-S386 PolarHBondContact OD1-N 3.15Å; D384-S386 PolarHBondContact OD1-OG 2.78Å; D384-N387 PolarHBondContact N-OD1 3.44Å; D384-N387 PolarHBondContact O-N 3.34Å; D384-N387 PolarHBondContact O-OD1 2.73Å; D384-N387 PolarHBondContact OD1-N 2.85Å; D384-N387 VanDerWaalsContact OD1-N 3.11Å; D384-V388 VanDerWaalsContact O-CB 3.31Å; D384-V388 WeakPolarHBondContact O-CB 3.35Å; D384-V388 PolarHBondContact O-N 3.04Å
385	D	96.4	Very high	96.3	Very high	156 Å²	156	71.4 Å²	71.4	83%	0.834	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.8	-175.9	-59.7	-28.6	0	0	0	113.2
386	S	97.5	Very high	96.7	Very high	109 Å²	109	66.7 Å²	66.7	76%	0.762	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-28.8	-179.4	79.7	0	0	0	0	113	D384	D384-S386 PolarHBondContact O-N 3.3Å; D384-S386 VanDerWaalsContact O-N 3.14Å; D384-S386 WeakPolarHBondContact OD1-CA 3.49Å; D384-S386 VanDerWaalsContact OD1-CB 3.28Å; D384-S386 WeakPolarHBondContact OD1-CB 3.31Å; D384-S386 PolarHBondContact OD1-N 3.15Å; D384-S386 PolarHBondContact OD1-OG 2.78Å
387	N	98	Very high	96.9	Very high	25 Å²	25	63.9 Å²	63.9	13%	0.134	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-16.1	-174.6	73.8	24.7	0	0	0	114.4	F382 I383 D384 A389 V390 R391	F382-N387 PolarHBondContact O-ND2 2.78Å; I383-N387 WeakPolarHBondContact CA-OD1 3.24Å; D384-N387 PolarHBondContact N-OD1 3.44Å; D384-N387 PolarHBondContact O-N 3.34Å; D384-N387 PolarHBondContact O-OD1 2.73Å; D384-N387 PolarHBondContact OD1-N 2.85Å; D384-N387 VanDerWaalsContact OD1-N 3.11Å; N387-A389 PolarHBondContact O-N 3.39Å; N387-A389 VanDerWaalsContact O-N 3.08Å; N387-V390 PolarHBondContact O-N 2.79Å; N387-V390 VanDerWaalsContact O-N 3.15Å; N387-R391 HydrophobicContact CB-CG 4.12Å; N387-R391 VanDerWaalsContact O-CG 3.27Å; N387-R391 WeakPolarHBondContact O-CG 3.13Å; N387-R391 PolarHBondContact O-N 3.22Å
388	V	98.4	Very high	97.2	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-52.9	-38.9	-169.8	64.8	0	0	0	0	113.4	I383 D384 A392 L438 H441	I383-V388 HydrophobicContact CG2-CB 3.82Å; I383-V388 HydrophobicContact CG2-CG2 3.76Å; D384-V388 VanDerWaalsContact O-CB 3.31Å; D384-V388 WeakPolarHBondContact O-CB 3.35Å; D384-V388 PolarHBondContact O-N 3.04Å; V388-A392 WeakPolarHBondContact O-CB 3.26Å; V388-A392 PolarHBondContact O-N 3.18Å; V388-L438 HydrophobicContact CG2-CD2 4.45Å; V388-H441 HydrophobicContact CG2-CB 3.55Å
389	A	98	Very high	97.5	Very high	44 Å²	44	46.8 Å²	46.8	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-52.5	-179.8	0	0	0	0	0	112.5	N387 R391 A392 D393 Y448	N387-A389 PolarHBondContact O-N 3.39Å; N387-A389 VanDerWaalsContact O-N 3.08Å; A389-R391 VanDerWaalsContact C-N 3.3Å; A389-R391 PolarHBondContact O-N 3.46Å; A389-A392 PolarHBondContact O-N 3.47Å; A389-D393 PolarHBondContact O-N 2.96Å; A389-Y448 PolarHBondContact O-OH 3.09Å
390	V	98.2	Very high	97.7	Very high	100 Å²	100	43 Å²	43	61%	0.606	24%	0.244	S	C	*	.	H	α-helix	trans	-65.8	-36.2	-179.2	178.3	0	0	0	0	111.2	N387 M394	N387-V390 PolarHBondContact O-N 2.79Å; N387-V390 VanDerWaalsContact O-N 3.15Å; V390-M394 WeakPolarHBondContact O-CB 3.2Å; V390-M394 PolarHBondContact O-N 2.87Å; V390-M394 VanDerWaalsContact O-N 3.15Å
391	R	98.1	Very high	97.7	Very high	19 Å²	19	43.9 Å²	43.9	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-39.7	177.2	-60	-61.6	-65.9	174.6	1.5	111.4	Q363 F364 I383 N387 A389 M394 L395 L438	Q363-R391 PolarHBondContact O-NH2 2.98Å; F364-R391 HydrophobicContact CE1-CB 4.43Å; F364-R391 WeakPolarHBondContact CZ-O 3.39Å; I383-R391 HydrophobicContact CD1-CB 3.72Å; I383-R391 HydrophobicContact CD1-CG 3.78Å; N387-R391 HydrophobicContact CB-CG 4.12Å; N387-R391 VanDerWaalsContact O-CG 3.27Å; N387-R391 WeakPolarHBondContact O-CG 3.13Å; N387-R391 PolarHBondContact O-N 3.22Å; A389-R391 VanDerWaalsContact C-N 3.3Å; A389-R391 PolarHBondContact O-N 3.46Å; R391-M394 PolarHBondContact O-N 3.44Å; R391-L395 PolarHBondContact O-N 2.81Å; R391-L438 HydrophobicContact CB-CD2 4.06Å
392	A	98.4	Very high	97.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-42.5	174.6	0	0	0	0	0	111.9	V388 A389 M394 L395 A396 L438 I442 Y448	V388-A392 WeakPolarHBondContact O-CB 3.26Å; V388-A392 PolarHBondContact O-N 3.18Å; A389-A392 PolarHBondContact O-N 3.47Å; A392-M394 VanDerWaalsContact C-N 3.35Å; A392-M394 PolarHBondContact O-N 3.41Å; A392-L395 PolarHBondContact O-N 3.13Å; A392-A396 WeakPolarHBondContact O-CB 3.46Å; A392-A396 PolarHBondContact O-N 3.4Å; A392-L438 HydrophobicContact CB-CD2 4.14Å; A392-I442 HydrophobicContact CB-CD1 3.88Å; A392-I442 HydrophobicContact CB-CG1 3.69Å; A392-Y448 HydrophobicContact CB-CE1 4.26Å; A392-Y448 VanDerWaalsContact CB-OH 3.26Å; A392-Y448 WeakPolarHBondContact CB-OH 3.47Å
393	D	98.2	Very high	97.8	Very high	89 Å²	89	36.9 Å²	36.9	48%	0.476	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-46.4	174.3	-77.9	-35.2	0	0	0	111.7	A389 A396 D397 Y448	A389-D393 PolarHBondContact O-N 2.96Å; D393-A396 PolarHBondContact O-N 3.46Å; D393-D397 WeakPolarHBondContact O-CB 3.39Å; D393-D397 PolarHBondContact O-N 2.91Å; D393-Y448 PolarHBondContact N-OH 2.94Å; D393-Y448 PolarHBondContact OD1-OH 2.88Å; D393-Y448 VanDerWaalsContact OD1-OH 3.08Å
394	M	97.9	Very high	97.6	Very high	61 Å²	61	37.5 Å²	37.5	30%	0.3	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-43.4	178.4	-177.6	-178.4	-65.8	0	0	112.4	V360 F364 V390 R391 A392 Q398	V360-M394 HydrophobicContact CG1-CG 3.48Å; V360-M394 VanDerWaalsContact CG1-CG 3.48Å; V360-M394 HydrophobicContact CG1-SD 3.81Å; F364-M394 HydrophobicContact CE2-CG 4.14Å; F364-M394 HydrophobicContact CE2-SD 4.21Å; F364-M394 HydrophobicContact CZ-CB 4.2Å; F364-M394 HydrophobicContact CZ-CG 4.13Å; F364-M394 HydrophobicContact CZ-SD 4.24Å; V390-M394 WeakPolarHBondContact O-CB 3.2Å; V390-M394 PolarHBondContact O-N 2.87Å; V390-M394 VanDerWaalsContact O-N 3.15Å; R391-M394 PolarHBondContact O-N 3.44Å; A392-M394 VanDerWaalsContact C-N 3.35Å; A392-M394 PolarHBondContact O-N 3.41Å; M394-Q398 PolarHBondContact O-N 2.85Å
395	L	98.2	Very high	97.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-43	178.2	-172.9	56.3	0	0	0	112	F364 R391 A392 D397 Q398 Y399 Y435 L438	F364-L395 HydrophobicContact CB-CD1 4.36Å; F364-L395 HydrophobicContact CD1-CB 4.24Å; F364-L395 HydrophobicContact CD1-CD1 4.05Å; F364-L395 HydrophobicContact CD1-CD2 3.94Å; F364-L395 HydrophobicContact CD1-CG 4.3Å; F364-L395 HydrophobicContact CD2-CD1 3.82Å; F364-L395 HydrophobicContact CE1-CB 3.68Å; F364-L395 HydrophobicContact CE1-CD1 4.28Å; F364-L395 HydrophobicContact CE1-CD2 4.12Å; F364-L395 HydrophobicContact CE1-CG 4.24Å; F364-L395 HydrophobicContact CE2-CB 4.14Å; F364-L395 HydrophobicContact CE2-CD1 4.06Å; F364-L395 HydrophobicContact CG-CD1 3.81Å; F364-L395 HydrophobicContact CG-CD2 4.47Å; F364-L395 HydrophobicContact CZ-CB 3.62Å; F364-L395 HydrophobicContact CZ-CD1 4.29Å; F364-L395 HydrophobicContact CZ-CG 4.43Å; R391-L395 PolarHBondContact O-N 2.81Å; A392-L395 PolarHBondContact O-N 3.13Å; L395-D397 VanDerWaalsContact C-N 3.26Å; L395-D397 PolarHBondContact O-N 3.16Å; L395-Q398 WeakPolarHBondContact O-CB 3.49Å; L395-Q398 PolarHBondContact O-N 3.41Å; L395-Q398 VanDerWaalsContact O-N 3.12Å; L395-Y399 HydrophobicContact CD1-CD1 4.47Å; L395-Y399 HydrophobicContact CD1-CE1 3.79Å; L395-Y399 HydrophobicContact CD1-CE2 4.01Å; L395-Y399 HydrophobicContact CD2-CE2 3.87Å; L395-Y399 HydrophobicContact CG-CD2 4.16Å; L395-Y399 HydrophobicContact CG-CE1 4.27Å; L395-Y399 HydrophobicContact CG-CE2 3.56Å; L395-Y399 PolarHBondContact O-N 3.17Å; L395-Y399 VanDerWaalsContact O-N 3.07Å; L395-Y435 HydrophobicContact CD2-CE1 4.34Å; L395-L438 HydrophobicContact CD2-CD1 3.94Å
396	A	98.2	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-35.5	179.4	0	0	0	0	0	111.8	A392 D393 Y399 R400 Y448 M450	A392-A396 WeakPolarHBondContact O-CB 3.46Å; A392-A396 PolarHBondContact O-N 3.4Å; D393-A396 PolarHBondContact O-N 3.46Å; A396-Y399 PolarHBondContact O-N 2.74Å; A396-R400 WeakPolarHBondContact O-CB 3.36Å; A396-R400 VanDerWaalsContact O-CG 3.25Å; A396-R400 WeakPolarHBondContact O-CG 3.38Å; A396-R400 PolarHBondContact O-N 3.05Å; A396-Y448 HydrophobicContact CB-CD1 3.63Å; A396-Y448 HydrophobicContact CB-CE1 3.76Å; A396-M450 HydrophobicContact CB-CE 3.7Å; A396-M450 HydrophobicContact CB-SD 4.48Å
397	D	97.6	Very high	97.5	Very high	37 Å²	37	26.2 Å²	26.2	20%	0.198	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-46	171.5	174.6	69.1	0	0	0	112.4	Y150 D393 L395 Y399 R400 K401	Y150-D397 VanDerWaalsContact CE1-OD1 3.25Å; Y150-D397 WeakPolarHBondContact CE1-OD1 3.09Å; Y150-D397 PolarHBondContact OH-OD1 2.6Å; D393-D397 WeakPolarHBondContact O-CB 3.39Å; D393-D397 PolarHBondContact O-N 2.91Å; L395-D397 VanDerWaalsContact C-N 3.26Å; L395-D397 PolarHBondContact O-N 3.16Å; D397-Y399 PolarHBondContact O-N 2.9Å; D397-R400 PolarHBondContact O-N 2.93Å; D397-K401 WeakPolarHBondContact O-CG 3.21Å; D397-K401 PolarHBondContact O-N 2.97Å; D397-K401 WeakPolarHBondContact OD1-CE 3.12Å; D397-K401 IonicContact OD1-NZ 2.61Å; D397-K401 VanDerWaalsContact OD2-CE 3.25Å; D397-K401 WeakPolarHBondContact OD2-CE 3.43Å; D397-K401 IonicContact OD2-NZ 3.56Å; D397-K401 PolarHBondContact OD2-NZ 3.15Å
398	Q	97.6	Very high	97.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.8	-65.7	-49.6	-61.2	0	0	112.3	E357 V360 M394 L395 R400 K401 K402	E357-Q398 VanDerWaalsContact N-OE1 3.07Å; E357-Q398 PolarHBondContact OE2-NE2 3.12Å; V360-Q398 HydrophobicContact CB-CG 4.28Å; V360-Q398 HydrophobicContact CG1-CG 3.63Å; M394-Q398 PolarHBondContact O-N 2.85Å; L395-Q398 WeakPolarHBondContact O-CB 3.49Å; L395-Q398 PolarHBondContact O-N 3.41Å; L395-Q398 VanDerWaalsContact O-N 3.12Å; Q398-R400 PolarHBondContact O-N 3.46Å; Q398-K401 PolarHBondContact O-N 3.04Å; Q398-K402 PolarHBondContact O-N 2.87Å
399	Y	98.2	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-40.8	177.3	-65.4	-20.7	0	0	0	112.5	V162 C354 L395 A396 D397 K402 A403 I414 M450 I452	V162-Y399 HydrophobicContact CB-CD2 4.43Å; V162-Y399 HydrophobicContact CG1-CD1 4.44Å; V162-Y399 HydrophobicContact CG1-CD2 3.88Å; V162-Y399 HydrophobicContact CG1-CE1 4.4Å; V162-Y399 HydrophobicContact CG1-CE2 3.81Å; V162-Y399 HydrophobicContact CG1-CG 4.19Å; V162-Y399 HydrophobicContact CG2-CD2 3.97Å; V162-Y399 HydrophobicContact CG2-CG 4.24Å; C354-Y399 HydrophobicContact CB-CE1 4.21Å; C354-Y399 VanDerWaalsContact O-CD1 3.25Å; C354-Y399 WeakPolarHBondContact O-CD1 3.4Å; L395-Y399 HydrophobicContact CD1-CD1 4.47Å; L395-Y399 HydrophobicContact CD1-CE1 3.79Å; L395-Y399 HydrophobicContact CD1-CE2 4.01Å; L395-Y399 HydrophobicContact CD2-CE2 3.87Å; L395-Y399 HydrophobicContact CG-CD2 4.16Å; L395-Y399 HydrophobicContact CG-CE1 4.27Å; L395-Y399 HydrophobicContact CG-CE2 3.56Å; L395-Y399 PolarHBondContact O-N 3.17Å; L395-Y399 VanDerWaalsContact O-N 3.07Å; A396-Y399 PolarHBondContact O-N 2.74Å; D397-Y399 PolarHBondContact O-N 2.9Å; Y399-K402 PolarHBondContact O-N 2.8Å; Y399-A403 VanDerWaalsContact O-CB 3.31Å; Y399-A403 WeakPolarHBondContact O-CB 3.1Å; Y399-A403 PolarHBondContact O-N 2.89Å; Y399-I414 HydrophobicContact CD1-CD1 3.64Å; Y399-I414 HydrophobicContact CD1-CG1 4Å; Y399-I414 HydrophobicContact CE1-CB 4.44Å; Y399-I414 HydrophobicContact CE1-CD1 3.58Å; Y399-I414 HydrophobicContact CE1-CG1 3.61Å; Y399-I414 HydrophobicContact CE1-CG2 4.06Å; Y399-M450 HydrophobicContact CD2-SD 3.86Å; Y399-I452 HydrophobicContact CD2-CD1 4.17Å; Y399-I452 HydrophobicContact CE2-CD1 3.99Å
400	R	97.7	Very high	96.9	Very high	11 Å²	11	26.2 Å²	26.2	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-45.5	175.5	-72.1	176.7	-166.5	115.9	0.4	111.7	Y150 W155 L160 A396 D397 Q398 K402 A403 T404 Y448 M450	Y150-R400 HydrophobicContact CD1-CB 3.86Å; Y150-R400 HydrophobicContact CD2-CB 4.02Å; Y150-R400 HydrophobicContact CD2-CG 4.47Å; Y150-R400 HydrophobicContact CE1-CB 3.79Å; Y150-R400 HydrophobicContact CE2-CB 3.96Å; Y150-R400 HydrophobicContact CE2-CG 4.26Å; Y150-R400 HydrophobicContact CG-CB 3.98Å; W155-R400 HydrophobicContact CE3-CG 4.19Å; W155-R400 HydrophobicContact CH2-CB 3.69Å; W155-R400 HydrophobicContact CH2-CG 3.84Å; W155-R400 HydrophobicContact CZ3-CB 3.81Å; W155-R400 HydrophobicContact CZ3-CG 3.51Å; L160-R400 HydrophobicContact CD2-CG 4.21Å; A396-R400 WeakPolarHBondContact O-CB 3.36Å; A396-R400 VanDerWaalsContact O-CG 3.25Å; A396-R400 WeakPolarHBondContact O-CG 3.38Å; A396-R400 PolarHBondContact O-N 3.05Å; D397-R400 PolarHBondContact O-N 2.93Å; Q398-R400 PolarHBondContact O-N 3.46Å; R400-K402 PolarHBondContact O-N 3.42Å; R400-A403 WeakPolarHBondContact O-CB 3.47Å; R400-A403 PolarHBondContact O-N 2.78Å; R400-T404 WeakPolarHBondContact O-CG2 3.48Å; R400-T404 PolarHBondContact O-N 3.1Å; R400-Y448 PolarHBondContact NH2-O 3.06Å; R400-M450 HydrophobicContact CG-CE 4.14Å
401	K	96.6	Very high	96.9	Very high	26 Å²	26	21.4 Å²	21.4	11%	0.113	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-49.3	175.8	-73.5	168.7	173.2	162.4	0	111.1	I148 Y150 P356 E357 D397 Q398 A403 T404	I148-K401 HydrophobicContact CG2-CB 3.95Å; I148-K401 HydrophobicContact CG2-CG 4.05Å; Y150-K401 HydrophobicContact CD1-CG 4.01Å; Y150-K401 HydrophobicContact CE1-CG 3.88Å; P356-K401 HydrophobicContact CG-CB 3.7Å; P356-K401 HydrophobicContact CG-CD 3.78Å; P356-K401 HydrophobicContact CG-CG 4.31Å; E357-K401 IonicContact OE2-NZ 3.22Å; E357-K401 PolarHBondContact OE2-NZ 3.02Å; D397-K401 WeakPolarHBondContact O-CG 3.21Å; D397-K401 PolarHBondContact O-N 2.97Å; D397-K401 WeakPolarHBondContact OD1-CE 3.12Å; D397-K401 IonicContact OD1-NZ 2.61Å; D397-K401 VanDerWaalsContact OD2-CE 3.25Å; D397-K401 WeakPolarHBondContact OD2-CE 3.43Å; D397-K401 IonicContact OD2-NZ 3.56Å; D397-K401 PolarHBondContact OD2-NZ 3.15Å; Q398-K401 PolarHBondContact O-N 3.04Å; K401-A403 VanDerWaalsContact C-N 3.32Å; K401-A403 PolarHBondContact O-N 3.21Å; K401-T404 PolarHBondContact O-N 3.12Å; K401-T404 PolarHBondContact O-OG1 3.25Å
402	K	96.8	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-43	176.2	-173.5	175.2	-175.6	-179.3	0	111.9	F345 T353 Q398 Y399 R400 T404 L405 Y406 V412 L413 I414	F345-K402 HydrophobicContact CE2-CB 4.36Å; F345-K402 HydrophobicContact CE2-CD 4.03Å; F345-K402 HydrophobicContact CE2-CG 3.98Å; F345-K402 HydrophobicContact CZ-CB 4.43Å; F345-K402 HydrophobicContact CZ-CG 4.31Å; T353-K402 WeakPolarHBondContact O-CD 3.44Å; T353-K402 PolarHBondContact O-NZ 2.67Å; Q398-K402 PolarHBondContact O-N 2.87Å; Y399-K402 PolarHBondContact O-N 2.8Å; R400-K402 PolarHBondContact O-N 3.42Å; K402-T404 PolarHBondContact O-N 3.04Å; K402-L405 WeakPolarHBondContact O-CB 3.38Å; K402-L405 PolarHBondContact O-N 3.2Å; K402-L405 VanDerWaalsContact O-N 3.09Å; K402-Y406 HydrophobicContact CG-CE2 4.09Å; K402-Y406 WeakPolarHBondContact O-CD2 3.27Å; K402-V412 HydrophobicContact CB-CG1 4.3Å; K402-V412 HydrophobicContact CD-CG1 3.73Å; K402-V412 HydrophobicContact CG-CG1 4Å; K402-L413 PolarHBondContact NZ-O 3.26Å; K402-I414 HydrophobicContact CD-CD1 3.76Å
403	A	97.4	Very high	96.9	Very high	6 Å²	6	20.5 Å²	20.5	5%	0.05	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-31.6	179.3	0	0	0	0	0	113.5	W155 L160 Y399 R400 K401 L405 Y406 V412	W155-A403 HydrophobicContact CH2-CB 4.49Å; W155-A403 HydrophobicContact CZ2-CB 3.73Å; L160-A403 HydrophobicContact CD1-CB 3.61Å; L160-A403 HydrophobicContact CD2-CB 4.06Å; Y399-A403 VanDerWaalsContact O-CB 3.31Å; Y399-A403 WeakPolarHBondContact O-CB 3.1Å; Y399-A403 PolarHBondContact O-N 2.89Å; R400-A403 WeakPolarHBondContact O-CB 3.47Å; R400-A403 PolarHBondContact O-N 2.78Å; K401-A403 VanDerWaalsContact C-N 3.32Å; K401-A403 PolarHBondContact O-N 3.21Å; A403-L405 PolarHBondContact O-N 3.38Å; A403-Y406 PolarHBondContact O-N 2.77Å; A403-V412 HydrophobicContact CB-CG2 3.55Å
404	T	96.1	Very high	96.9	Very high	14 Å²	14	16.3 Å²	16.3	9%	0.086	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.9	179.2	68.8	0	0	0	0	114.1	I148 W155 K320 R400 K401 K402 Y406	I148-T404 HydrophobicContact CG2-CG2 4.43Å; I148-T404 WeakPolarHBondContact CG2-OG1 3.38Å; W155-T404 HydrophobicContact CH2-CG2 4.49Å; K320-T404 WeakPolarHBondContact CD-O 3.49Å; K320-T404 WeakPolarHBondContact CE-O 3.36Å; K320-T404 WeakPolarHBondContact CG-O 3.37Å; R400-T404 WeakPolarHBondContact O-CG2 3.48Å; R400-T404 PolarHBondContact O-N 3.1Å; K401-T404 PolarHBondContact O-N 3.12Å; K401-T404 PolarHBondContact O-OG1 3.25Å; K402-T404 PolarHBondContact O-N 3.04Å; T404-Y406 VanDerWaalsContact C-N 3.28Å; T404-Y406 PolarHBondContact O-N 2.81Å
405	L	96.7	Very high	96.9	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.3	-178.5	-52.5	-177.2	0	0	0	113.1	F146 I148 A317 K320 L322 P344 F345 K402 A403	F146-L405 HydrophobicContact CE2-CD2 4.22Å; F146-L405 HydrophobicContact CZ-CD2 3.7Å; I148-L405 HydrophobicContact CD1-CD1 4.28Å; I148-L405 HydrophobicContact CD1-CD2 3.84Å; I148-L405 HydrophobicContact CD1-CG 4.36Å; I148-L405 HydrophobicContact CG1-CD2 4.38Å; A317-L405 HydrophobicContact CB-CD1 4.49Å; A317-L405 HydrophobicContact CB-CD2 4.28Å; K320-L405 WeakPolarHBondContact CA-O 3.5Å; L322-L405 HydrophobicContact CD1-CB 3.86Å; P344-L405 HydrophobicContact CB-CD1 3.64Å; P344-L405 HydrophobicContact CG-CD1 3.92Å; F345-L405 HydrophobicContact CE1-CD1 3.84Å; F345-L405 HydrophobicContact CZ-CD1 3.83Å; K402-L405 WeakPolarHBondContact O-CB 3.38Å; K402-L405 PolarHBondContact O-N 3.2Å; K402-L405 VanDerWaalsContact O-N 3.09Å; A403-L405 PolarHBondContact O-N 3.38Å
406	Y	97.2	Very high	96.9	Very high	9 Å²	9	13.4 Å²	13.4	4%	0.035	7%	0.072	C	C	.	.			trans	-123.5	158.2	-177.4	-61.7	-85.6	0	0	0	111.7	L322 E323 H341 M342 P344 K402 A403 T404	L322-Y406 HydrophobicContact CB-CD1 3.98Å; L322-Y406 HydrophobicContact CB-CE1 3.67Å; L322-Y406 HydrophobicContact CD1-CE1 4.1Å; E323-Y406 HydrophobicContact CG-CD1 3.84Å; E323-Y406 HydrophobicContact CG-CE1 4.2Å; H341-Y406 AromaticContact CE1-CE1 3.26Å; H341-Y406 WeakPolarHBondContact CE1-CE1 3.41Å; H341-Y406 AromaticContact CE1-CZ 3.49Å; H341-Y406 VanDerWaalsContact CE1-CZ 3.49Å; H341-Y406 PolarHBondContact CE1-OH 2.87Å; H341-Y406 AromaticContact ND1-CE1 3.8Å; H341-Y406 AromaticContact NE2-CE1 3.65Å; H341-Y406 AromaticContact NE2-CZ 3.58Å; H341-Y406 PolarHBondContact NE2-OH 2.85Å; M342-Y406 PolarHBondContact O-OH 3.09Å; P344-Y406 VanDerWaalsContact CD-OH 3.24Å; P344-Y406 WeakPolarHBondContact CD-OH 3.32Å; K402-Y406 HydrophobicContact CG-CE2 4.09Å; K402-Y406 WeakPolarHBondContact O-CD2 3.27Å; A403-Y406 PolarHBondContact O-N 2.77Å; T404-Y406 VanDerWaalsContact C-N 3.28Å; T404-Y406 PolarHBondContact O-N 2.81Å
407	N	94.1	Very high	96.8	Very high	87 Å²	87	13.4 Å²	13.4	47%	0.465	7%	0.073	S	C	.	.			trans	-119.8	51.4	177.5	-167.7	34.1	0	0	0	111.9	K320	K320-N407 HydrophobicContact CB-CB 4.12Å
408	N	94.9	Very high	96.7	Very high	2 Å²	2	13 Å²	13	1%	0.011	7%	0.071	C	C	.	.	S	Bend	trans	-115.8	18.5	-173.5	58.1	23.4	0	0	0	114.3	E323 G410 L411 Y460 L464 F479	E323-N408 PolarHBondContact OE1-ND2 3.21Å; E323-N408 WeakPolarHBondContact OE2-CB 3.37Å; E323-N408 PolarHBondContact OE2-ND2 2.78Å; E323-N408 VanDerWaalsContact OE2-ND2 3.17Å; N408-G410 PolarHBondContact O-N 3.37Å; N408-G410 PolarHBondContact OD1-N 2.69Å; N408-L411 PolarHBondContact ND2-O 2.76Å; N408-L411 PolarHBondContact OD1-N 2.92Å; N408-L411 PolarHBondContact OD1-O 3.39Å; N408-Y460 PolarHBondContact ND2-OH 3.37Å; N408-L464 HydrophobicContact CB-CD1 3.64Å; N408-F479 HydrophobicContact CB-CZ 4.38Å
409	N	92.3	Very high	96.6	Very high	76 Å²	76	14.7 Å²	14.7	41%	0.406	8%	0.079	S	C	.	.	S	Bend	trans	59.9	43.7	-179.9	-163.5	18.1	0	0	0	113.8	R467 M471	N409-R467 PolarHBondContact O-NH1 3.09Å; N409-M471 HydrophobicContact CB-CE 4.42Å
410	G	94.9	Very high	96.5	Very high	8 Å²	8	15.6 Å²	15.6	8%	0.082	8%	0.083	C	C	.	.	S	Bend	trans	85	47.1	168.3	0	0	0	0	0	114.6	L160 E161 N408	L160-G410 WeakPolarHBondContact CD1-O 3.2Å; E161-G410 PolarHBondContact N-O 3.18Å; N408-G410 PolarHBondContact O-N 3.37Å; N408-G410 PolarHBondContact OD1-N 2.69Å
411	L	98.1	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.6	169.3	-54	178.9	0	0	0	110.4	E161 F163 N408 Y460 A463 L464 R467	E161-L411 HydrophobicContact CB-CD2 3.88Å; E161-L411 WeakPolarHBondContact O-CA 3.33Å; F163-L411 HydrophobicContact CE2-CD2 3.99Å; N408-L411 PolarHBondContact ND2-O 2.76Å; N408-L411 PolarHBondContact OD1-N 2.92Å; N408-L411 PolarHBondContact OD1-O 3.39Å; L411-Y460 HydrophobicContact CB-CE2 3.75Å; L411-A463 HydrophobicContact CD1-CB 4.29Å; L411-A463 HydrophobicContact CD2-CB 4.37Å; L411-L464 HydrophobicContact CD1-CB 3.78Å; L411-L464 HydrophobicContact CD1-CD1 4.11Å; L411-R467 HydrophobicContact CD1-CG 3.91Å; L411-R467 HydrophobicContact CD2-CG 4.22Å; L411-R467 HydrophobicContact CG-CG 4.18Å
412	V	98.1	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.4	177.6	-165.8	0	0	0	0	110.4	L160 E161 V162 F163 K402 A403 I414	L160-V412 HydrophobicContact CD1-CG2 3.52Å; L160-V412 HydrophobicContact CD2-CG2 4.06Å; L160-V412 HydrophobicContact CG-CG2 4Å; E161-V412 PolarHBondContact O-N 3.12Å; V162-V412 WeakPolarHBondContact CA-O 3.29Å; V162-V412 HydrophobicContact CG2-CB 4.37Å; F163-V412 PolarHBondContact N-O 2.81Å; K402-V412 HydrophobicContact CB-CG1 4.3Å; K402-V412 HydrophobicContact CD-CG1 3.73Å; K402-V412 HydrophobicContact CG-CG1 4Å; A403-V412 HydrophobicContact CB-CG2 3.55Å; V412-I414 HydrophobicContact CG1-CD1 3.54Å; V412-I414 HydrophobicContact CG1-CG1 4.14Å
413	L	98.4	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.5	173.7	-178.4	63.2	0	0	0	110.1	F163 V165 W280 I304 F343 K402 L457 Y460	F163-L413 HydrophobicContact CB-CD1 4.28Å; V165-L413 HydrophobicContact CB-CD1 4.49Å; V165-L413 HydrophobicContact CG2-CD1 3.54Å; W280-L413 HydrophobicContact CZ3-CD2 4.46Å; I304-L413 HydrophobicContact CD1-CD2 3.49Å; I304-L413 VanDerWaalsContact CD1-CD2 3.49Å; F343-L413 HydrophobicContact CE1-CD2 4.04Å; F343-L413 HydrophobicContact CE1-CG 4.3Å; F343-L413 HydrophobicContact CZ-CD2 3.93Å; F343-L413 HydrophobicContact CZ-CG 4.44Å; K402-L413 PolarHBondContact NZ-O 3.26Å; L413-L457 HydrophobicContact CD1-CD2 4.04Å; L413-L457 HydrophobicContact CD2-CD2 4.21Å; L413-Y460 HydrophobicContact CB-CD1 4.47Å; L413-Y460 HydrophobicContact CB-CD2 3.96Å; L413-Y460 HydrophobicContact CB-CE1 4.37Å; L413-Y460 HydrophobicContact CB-CE2 3.84Å; L413-Y460 HydrophobicContact CB-CG 4.27Å; L413-Y460 HydrophobicContact CD1-CD2 4.33Å; L413-Y460 HydrophobicContact CD1-CG 4.1Å; L413-Y460 HydrophobicContact CD2-CD1 4.35Å
414	I	98.3	Very high	96.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	94	-178	-53.6	-63.6	0	0	0	109.5	V162 F163 I164 V165 Y399 K402 V412 L416	V162-I414 HydrophobicContact CG1-CG1 3.56Å; F163-I414 PolarHBondContact O-N 2.95Å; I164-I414 CarbonylContact C-O 3.5Å; I164-I414 WeakPolarHBondContact CA-O 3.33Å; I164-I414 HydrophobicContact CG1-CB 4.5Å; V165-I414 PolarHBondContact N-O 3.36Å; Y399-I414 HydrophobicContact CD1-CD1 3.64Å; Y399-I414 HydrophobicContact CD1-CG1 4Å; Y399-I414 HydrophobicContact CE1-CB 4.44Å; Y399-I414 HydrophobicContact CE1-CD1 3.58Å; Y399-I414 HydrophobicContact CE1-CG1 3.61Å; Y399-I414 HydrophobicContact CE1-CG2 4.06Å; K402-I414 HydrophobicContact CD-CD1 3.76Å; V412-I414 HydrophobicContact CG1-CD1 3.54Å; V412-I414 HydrophobicContact CG1-CG1 4.14Å; I414-L416 PolarHBondContact O-N 2.74Å
415	P	97.8	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	124.5	167.3	-15.2	24.5	0	0	0	110	F167 W280 F343 T353	F167-P415 HydrophobicContact CD1-CB 3.8Å; F167-P415 HydrophobicContact CE1-CB 3.38Å; F167-P415 HydrophobicContact CZ-CB 4.27Å; W280-P415 HydrophobicContact CH2-CB 4.14Å; W280-P415 HydrophobicContact CH2-CG 3.9Å; W280-P415 HydrophobicContact CZ2-CB 4.42Å; F343-P415 HydrophobicContact CD1-CG 4.5Å; F343-P415 HydrophobicContact CE1-CG 3.59Å; F343-P415 HydrophobicContact CE2-CG 3.91Å; F343-P415 HydrophobicContact CZ-CG 3.24Å; T353-P415 WeakPolarHBondContact CB-O 2.9Å; T353-P415 HydrophobicContact CG2-CB 4.06Å; T353-P415 HydrophobicContact CG2-CG 3.96Å; T353-P415 PolarHBondContact OG1-O 3.34Å
416	L	97.9	Very high	96.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	88.8	174.8	-176	67	0	0	0	107.4	I164 V165 P166 F167 V350 I414 Y422 Y435 F454	I164-L416 HydrophobicContact CG2-CB 3.91Å; I164-L416 HydrophobicContact CG2-CD2 3.88Å; V165-L416 PolarHBondContact O-N 2.78Å; P166-L416 VanDerWaalsContact CA-O 3.26Å; P166-L416 WeakPolarHBondContact CA-O 3.13Å; F167-L416 PolarHBondContact N-O 3.48Å; F167-L416 VanDerWaalsContact N-O 3.11Å; V350-L416 HydrophobicContact CB-CD1 4.49Å; V350-L416 HydrophobicContact CG1-CD1 3.73Å; V350-L416 HydrophobicContact CG2-CD1 3.88Å; I414-L416 PolarHBondContact O-N 2.74Å; L416-Y422 WeakPolarHBondContact CD2-OH 3Å; L416-Y422 WeakPolarHBondContact CG-OH 3.36Å; L416-Y422 VanDerWaalsContact O-CE2 3.3Å; L416-Y422 WeakPolarHBondContact O-CE2 3.44Å; L416-Y422 PolarHBondContact O-OH 2.78Å; L416-Y435 HydrophobicContact CD1-CE2 3.66Å; L416-Y435 WeakPolarHBondContact CD1-OH 3.18Å; L416-Y435 HydrophobicContact CD2-CD2 3.84Å; L416-Y435 HydrophobicContact CD2-CE2 3.54Å; L416-Y435 HydrophobicContact CG-CE2 4.27Å; L416-F454 HydrophobicContact CD2-CE1 4.33Å
417	G	96.9	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	13%	0.126	C	C	.	.			trans	173.6	-172.6	-171.9	0	0	0	0	0	110.6	F167 D349 V350	F167-G417 VanDerWaalsContact CE1-C 3.47Å; F167-G417 WeakPolarHBondContact O-CA 3.15Å; D349-G417 WeakPolarHBondContact CA-O 3.19Å; V350-G417 VanDerWaalsContact CG2-O 3.29Å; V350-G417 WeakPolarHBondContact CG2-O 3.37Å; V350-G417 PolarHBondContact N-O 3.16Å; V350-G417 VanDerWaalsContact N-O 3.14Å
418	D	95.7	Very high	96.8	Very high	29 Å²	29	19 Å²	19	16%	0.155	10%	0.104	C	C	.	.			trans	-177.2	-166.6	-174.4	-155.9	-15.3	0	0	0	106.3	H169 D349 R368 R421	H169-D418 PolarHBondContact N-O 3.09Å; H169-D418 VanDerWaalsContact N-O 3.14Å; D349-D418 HydrophobicContact CB-CB 4.19Å; D349-D418 VanDerWaalsContact CB-OD2 3.25Å; D349-D418 WeakPolarHBondContact CB-OD2 3.39Å; R368-D418 IonicContact NH2-OD2 2.88Å; R368-D418 PolarHBondContact NH2-OD2 2.91Å; D418-R421 HydrophobicContact CB-CG 3.45Å; D418-R421 VanDerWaalsContact CB-CG 3.45Å; D418-R421 VanDerWaalsContact N-CG 3.3Å; D418-R421 WeakPolarHBondContact O-CG 3.47Å
419	D	95.2	Very high	96.9	Very high	36 Å²	36	21.1 Å²	21.1	19%	0.193	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-66.5	134.8	170.2	-53.6	-21.5	0	0	0	111.3	H169 Y348 R421	H169-D419 IonicContact CD2-OD1 2.88Å; H169-D419 PolarHBondContact CD2-OD1 3.28Å; Y348-D419 VanDerWaalsContact CE2-OD1 3.28Å; Y348-D419 WeakPolarHBondContact CE2-OD1 3.37Å; Y348-D419 PolarHBondContact OH-OD1 3.12Å; D419-R421 VanDerWaalsContact C-N 3.32Å; D419-R421 VanDerWaalsContact O-CD 3.31Å; D419-R421 WeakPolarHBondContact O-CD 3.45Å; D419-R421 WeakPolarHBondContact O-CG 3.35Å; D419-R421 PolarHBondContact O-N 2.85Å
420	F	95.8	Very high	97.1	Very high	18 Å²	18	18.1 Å²	18.1	8%	0.079	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	44.8	171.6	-53.1	-79.8	0	0	0	114.1	H169 Q170 D171 W174 Y181 E185 Q423	H169-F420 PolarHBondContact O-N 2.76Å; Q170-F420 HydrophobicContact CB-CD1 4.35Å; Q170-F420 HydrophobicContact CB-CE1 3.92Å; Q170-F420 HydrophobicContact CG-CD1 3.89Å; Q170-F420 HydrophobicContact CG-CE1 3.96Å; D171-F420 HydrophobicContact CB-CZ 4.27Å; W174-F420 HydrophobicContact CE3-CE2 4.24Å; W174-F420 HydrophobicContact CZ3-CE2 4.47Å; Y181-F420 HydrophobicContact CD1-CD1 4.06Å; Y181-F420 AromaticContact CD1-CE1 3.36Å; Y181-F420 HydrophobicContact CD1-CE1 3.36Å; Y181-F420 HydrophobicContact CD1-CE2 4.29Å; Y181-F420 AromaticContact CD1-CZ 3.51Å; Y181-F420 HydrophobicContact CD1-CZ 3.51Å; Y181-F420 HydrophobicContact CD2-CE1 4.49Å; Y181-F420 HydrophobicContact CD2-CZ 4.24Å; Y181-F420 HydrophobicContact CE1-CD1 4.31Å; Y181-F420 HydrophobicContact CE1-CD2 4.33Å; Y181-F420 AromaticContact CE1-CE1 3.64Å; Y181-F420 HydrophobicContact CE1-CE1 3.64Å; Y181-F420 AromaticContact CE1-CE2 3.69Å; Y181-F420 HydrophobicContact CE1-CE2 3.69Å; Y181-F420 AromaticContact CE1-CZ 3.29Å; Y181-F420 HydrophobicContact CE1-CZ 3.29Å; Y181-F420 HydrophobicContact CE2-CZ 4.05Å; Y181-F420 AromaticContact CG-CE1 3.84Å; Y181-F420 HydrophobicContact CG-CE1 3.84Å; Y181-F420 AromaticContact CG-CZ 3.99Å; Y181-F420 HydrophobicContact CG-CZ 3.99Å; Y181-F420 AromaticContact CZ-CE2 3.96Å; Y181-F420 AromaticContact CZ-CZ 3.57Å; E185-F420 HydrophobicContact CB-CB 4.24Å; E185-F420 HydrophobicContact CB-CD1 3.63Å; E185-F420 HydrophobicContact CB-CE1 4.39Å; E185-F420 HydrophobicContact CB-CG 4.19Å; E185-F420 HydrophobicContact CG-CD1 4.21Å; F420-Q423 WeakPolarHBondContact O-CG 3.48Å; F420-Q423 PolarHBondContact O-NE2 2.73Å; F420-Q423 VanDerWaalsContact O-NE2 3.14Å
421	R	96.6	Very high	97.2	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.015	10%	0.097	C	C	.	.			trans	-91.3	169.7	178.3	-52	-59.6	-89.2	109	10.9	112.8	S168 N189 D365 D418 D419 E427	S168-R421 PolarHBondContact OG-N 2.88Å; S168-R421 PolarHBondContact OG-O 2.02Å; N189-R421 PolarHBondContact ND2-O 2.94Å; D365-R421 IonicContact OD1-NH2 3.84Å; D365-R421 PolarHBondContact OD1-NH2 2.85Å; D365-R421 IonicContact OD2-NH2 3.01Å; D365-R421 PolarHBondContact OD2-NH2 2.84Å; D418-R421 HydrophobicContact CB-CG 3.45Å; D418-R421 VanDerWaalsContact CB-CG 3.45Å; D418-R421 VanDerWaalsContact N-CG 3.3Å; D418-R421 WeakPolarHBondContact O-CG 3.47Å; D419-R421 VanDerWaalsContact C-N 3.32Å; D419-R421 VanDerWaalsContact O-CD 3.31Å; D419-R421 WeakPolarHBondContact O-CD 3.45Å; D419-R421 WeakPolarHBondContact O-CG 3.35Å; D419-R421 PolarHBondContact O-N 2.85Å; R421-E427 IonicContact CZ-OE1 3.17Å; R421-E427 VanDerWaalsContact CZ-OE1 3.28Å; R421-E427 IonicContact NH1-OE1 3.79Å; R421-E427 PolarHBondContact NH1-OE1 2.99Å; R421-E427 IonicContact NH1-OE2 2.89Å; R421-E427 IonicContact NH2-OE1 3.78Å
422	Y	97.7	Very high	97.2	Very high	2 Å²	2	18 Å²	18	1%	0.008	10%	0.097	C	C	.	.			trans	62.8	38.5	177.7	-62.7	-77.2	0	0	0	115	P166 F167 N189 F205 L416 S424 E427 W428 Q431	P166-Y422 HydrophobicContact CB-CE1 4.45Å; P166-Y422 HydrophobicContact CB-CE2 4.11Å; F167-Y422 WeakPolarHBondContact O-CD2 3.28Å; F167-Y422 VanDerWaalsContact O-CE2 3.28Å; F167-Y422 WeakPolarHBondContact O-CE2 3.43Å; N189-Y422 VanDerWaalsContact CA-O 3.3Å; N189-Y422 WeakPolarHBondContact CA-O 3.47Å; N189-Y422 WeakPolarHBondContact ND2-CB 3.33Å; N189-Y422 PolarHBondContact ND2-O 3.17Å; F205-Y422 AromaticContact CE2-CD2 3.83Å; F205-Y422 HydrophobicContact CE2-CD2 3.83Å; F205-Y422 HydrophobicContact CE2-CE2 4.43Å; F205-Y422 HydrophobicContact CE2-CG 4.29Å; L416-Y422 WeakPolarHBondContact CD2-OH 3Å; L416-Y422 WeakPolarHBondContact CG-OH 3.36Å; L416-Y422 VanDerWaalsContact O-CE2 3.3Å; L416-Y422 WeakPolarHBondContact O-CE2 3.44Å; L416-Y422 PolarHBondContact O-OH 2.78Å; Y422-S424 VanDerWaalsContact C-N 3.26Å; Y422-S424 PolarHBondContact O-N 2.83Å; Y422-E427 VanDerWaalsContact CA-CD 3.41Å; Y422-E427 VanDerWaalsContact CA-OE2 3.3Å; Y422-E427 WeakPolarHBondContact CA-OE2 3.46Å; Y422-E427 PolarHBondContact N-OE1 2.94Å; Y422-E427 PolarHBondContact N-OE2 2.98Å; Y422-W428 AromaticContact CD1-CD2 3.53Å; Y422-W428 HydrophobicContact CD1-CD2 3.53Å; Y422-W428 AromaticContact CD1-CE2 3.49Å; Y422-W428 VanDerWaalsContact CD1-CE2 3.49Å; Y422-W428 AromaticContact CD1-CE3 3.93Å; Y422-W428 HydrophobicContact CD1-CE3 3.93Å; Y422-W428 AromaticContact CD1-CG 3.89Å; Y422-W428 HydrophobicContact CD1-CG 3.89Å; Y422-W428 HydrophobicContact CD1-CH2 4.25Å; Y422-W428 AromaticContact CD1-CZ2 3.86Å; Y422-W428 HydrophobicContact CD1-CZ2 3.86Å; Y422-W428 HydrophobicContact CD1-CZ3 4.29Å; Y422-W428 AromaticContact CD1-NE1 3.83Å; Y422-W428 HydrophobicContact CE1-CD2 4.05Å; Y422-W428 AromaticContact CE1-CE3 3.97Å; Y422-W428 HydrophobicContact CE1-CE3 3.97Å; Y422-W428 HydrophobicContact CE1-CH2 4.33Å; Y422-W428 HydrophobicContact CE1-CZ2 4.39Å; Y422-W428 HydrophobicContact CE1-CZ3 4.13Å; Y422-W428 HydrophobicContact CG-CD2 4.38Å; Y422-W428 AromaticContact CG-CE2 3.89Å; Y422-W428 HydrophobicContact CG-CZ2 4.04Å; Y422-Q431 HydrophobicContact CE1-CB 4.34Å; Y422-Q431 HydrophobicContact CE1-CG 4.16Å
423	Q	96.4	Very high	97.1	Very high	23 Å²	23	21.4 Å²	21.4	11%	0.107	12%	0.116	C	C	.	.			trans	-81.7	-2.1	-169.5	-52.1	-176.4	-59	0	0	114.4	E185 P188 F420 E427	E185-Q423 VanDerWaalsContact CB-NE2 3.28Å; E185-Q423 PolarHBondContact OE2-NE2 2.9Å; E185-Q423 PolarHBondContact OE2-OE1 2.82Å; P188-Q423 CarbonylContact C-O 3.51Å; P188-Q423 HydrophobicContact CB-CB 4.47Å; P188-Q423 VanDerWaalsContact CB-O 3.26Å; P188-Q423 WeakPolarHBondContact CB-O 3.31Å; F420-Q423 WeakPolarHBondContact O-CG 3.48Å; F420-Q423 PolarHBondContact O-NE2 2.73Å; F420-Q423 VanDerWaalsContact O-NE2 3.14Å; Q423-E427 PolarHBondContact N-OE2 3.38Å
424	S	97.6	Very high	97.1	Very high	48 Å²	48	21.9 Å²	21.9	34%	0.336	12%	0.118	S	C	.	.	S	Bend	trans	-152.8	154.7	-179.1	66.5	0	0	0	0	110.7	Y422 H426 E427 W428	Y422-S424 VanDerWaalsContact C-N 3.26Å; Y422-S424 PolarHBondContact O-N 2.83Å; S424-H426 PolarHBondContact O-N 3.25Å; S424-E427 PolarHBondContact O-N 2.84Å; S424-E427 PolarHBondContact OG-N 3.44Å; S424-E427 VanDerWaalsContact OG-N 3.17Å; S424-W428 PolarHBondContact O-N 3.02Å
425	T	97.3	Very high	97.1	Very high	54 Å²	54	21.9 Å²	21.9	33%	0.331	12%	0.118	S	C	.	.	H	α-helix	trans	-58.8	-32.3	171.5	-49.8	0	0	0	0	111.5	I196 W428 N429	I196-T425 HydrophobicContact CD1-CG2 3.63Å; I196-T425 HydrophobicContact CG1-CG2 4.14Å; T425-W428 WeakPolarHBondContact O-CB 3.3Å; T425-W428 PolarHBondContact O-N 3.42Å; T425-N429 WeakPolarHBondContact O-CB 3.45Å; T425-N429 VanDerWaalsContact O-CG 3.3Å; T425-N429 PolarHBondContact O-N 3.43Å; T425-N429 PolarHBondContact O-ND2 2.91Å
426	H	97.1	Very high	97.1	Very high	91 Å²	91	24 Å²	24	42%	0.421	13%	0.13	S	C	.	.	H	α-helix	trans	-61	-49.8	176.2	178	64.2	0	0	0	112	E370 S424 W428 N429 V430	E370-H426 IonicContact OE1-CE1 3.79Å; E370-H426 IonicContact OE1-NE2 3.33Å; E370-H426 PolarHBondContact OE1-NE2 2.83Å; E370-H426 IonicContact OE2-CD2 3.48Å; E370-H426 PolarHBondContact OE2-CD2 2.75Å; E370-H426 IonicContact OE2-CE1 3.79Å; E370-H426 IonicContact OE2-NE2 2.7Å; E370-H426 PolarHBondContact OE2-NE2 2.97Å; S424-H426 PolarHBondContact O-N 3.25Å; H426-W428 VanDerWaalsContact C-N 3.32Å; H426-W428 PolarHBondContact O-N 2.98Å; H426-N429 PolarHBondContact O-N 2.89Å; H426-V430 WeakPolarHBondContact O-CB 3.46Å; H426-V430 WeakPolarHBondContact O-CG2 3.25Å; H426-V430 PolarHBondContact O-N 3Å
427	E	97.4	Very high	97.1	Very high	4 Å²	4	28 Å²	28	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-44.8	176	177.1	178.4	176.8	0	0	111.8	I367 R421 Y422 Q423 S424 N429 V430 Q431	I367-E427 HydrophobicContact CB-CG 4.11Å; I367-E427 HydrophobicContact CD1-CB 4.2Å; I367-E427 HydrophobicContact CD1-CG 4.41Å; I367-E427 HydrophobicContact CG1-CB 4.25Å; I367-E427 HydrophobicContact CG1-CG 3.95Å; I367-E427 HydrophobicContact CG2-CG 4.18Å; R421-E427 IonicContact CZ-OE1 3.17Å; R421-E427 VanDerWaalsContact CZ-OE1 3.28Å; R421-E427 IonicContact NH1-OE1 3.79Å; R421-E427 PolarHBondContact NH1-OE1 2.99Å; R421-E427 IonicContact NH1-OE2 2.89Å; R421-E427 IonicContact NH2-OE1 3.78Å; Y422-E427 VanDerWaalsContact CA-CD 3.41Å; Y422-E427 VanDerWaalsContact CA-OE2 3.3Å; Y422-E427 WeakPolarHBondContact CA-OE2 3.46Å; Y422-E427 PolarHBondContact N-OE1 2.94Å; Y422-E427 PolarHBondContact N-OE2 2.98Å; Q423-E427 PolarHBondContact N-OE2 3.38Å; S424-E427 PolarHBondContact O-N 2.84Å; S424-E427 PolarHBondContact OG-N 3.44Å; S424-E427 VanDerWaalsContact OG-N 3.17Å; E427-N429 PolarHBondContact O-N 2.91Å; E427-V430 PolarHBondContact O-N 2.87Å; E427-Q431 WeakPolarHBondContact O-CG 3.21Å; E427-Q431 PolarHBondContact O-N 3.02Å
428	W	97.8	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.3	-48.5	174.9	-92.6	108.6	0	0	0	112.3	P166 T193 I196 L197 F205 Y422 S424 T425 H426 Q431 L432	P166-W428 HydrophobicContact CB-CH2 3.9Å; P166-W428 HydrophobicContact CB-CZ3 4.18Å; P166-W428 HydrophobicContact CG-CZ3 4.44Å; T193-W428 HydrophobicContact CG2-CZ2 3.87Å; T193-W428 PolarHBondContact OG1-NE1 3.34Å; I196-W428 HydrophobicContact CB-CB 4.39Å; I196-W428 HydrophobicContact CB-CD2 4.13Å; I196-W428 HydrophobicContact CB-CG 4.09Å; I196-W428 HydrophobicContact CD1-CB 3.81Å; I196-W428 HydrophobicContact CD1-CG 4.41Å; I196-W428 HydrophobicContact CG1-CB 3.58Å; I196-W428 HydrophobicContact CG1-CD2 4.23Å; I196-W428 HydrophobicContact CG1-CG 3.66Å; I196-W428 HydrophobicContact CG2-CB 4.27Å; I196-W428 HydrophobicContact CG2-CD2 3.77Å; I196-W428 HydrophobicContact CG2-CE3 3.67Å; I196-W428 HydrophobicContact CG2-CG 4.07Å; I196-W428 HydrophobicContact CG2-CZ3 4.25Å; L197-W428 HydrophobicContact CD1-CH2 3.91Å; L197-W428 HydrophobicContact CD1-CZ2 4.07Å; L197-W428 HydrophobicContact CD1-CZ3 4.48Å; F205-W428 HydrophobicContact CB-CH2 4.06Å; F205-W428 HydrophobicContact CB-CZ2 4.25Å; F205-W428 AromaticContact CD2-CH2 3.77Å; F205-W428 HydrophobicContact CD2-CH2 3.77Å; F205-W428 AromaticContact CD2-CZ2 3.57Å; F205-W428 HydrophobicContact CD2-CZ2 3.57Å; F205-W428 HydrophobicContact CE2-CZ2 4.15Å; F205-W428 HydrophobicContact CG-CH2 4.26Å; F205-W428 HydrophobicContact CG-CZ2 4.07Å; Y422-W428 AromaticContact CD1-CD2 3.53Å; Y422-W428 HydrophobicContact CD1-CD2 3.53Å; Y422-W428 AromaticContact CD1-CE2 3.49Å; Y422-W428 VanDerWaalsContact CD1-CE2 3.49Å; Y422-W428 AromaticContact CD1-CE3 3.93Å; Y422-W428 HydrophobicContact CD1-CE3 3.93Å; Y422-W428 AromaticContact CD1-CG 3.89Å; Y422-W428 HydrophobicContact CD1-CG 3.89Å; Y422-W428 HydrophobicContact CD1-CH2 4.25Å; Y422-W428 AromaticContact CD1-CZ2 3.86Å; Y422-W428 HydrophobicContact CD1-CZ2 3.86Å; Y422-W428 HydrophobicContact CD1-CZ3 4.29Å; Y422-W428 AromaticContact CD1-NE1 3.83Å; Y422-W428 HydrophobicContact CE1-CD2 4.05Å; Y422-W428 AromaticContact CE1-CE3 3.97Å; Y422-W428 HydrophobicContact CE1-CE3 3.97Å; Y422-W428 HydrophobicContact CE1-CH2 4.33Å; Y422-W428 HydrophobicContact CE1-CZ2 4.39Å; Y422-W428 HydrophobicContact CE1-CZ3 4.13Å; Y422-W428 HydrophobicContact CG-CD2 4.38Å; Y422-W428 AromaticContact CG-CE2 3.89Å; Y422-W428 HydrophobicContact CG-CZ2 4.04Å; S424-W428 PolarHBondContact O-N 3.02Å; T425-W428 WeakPolarHBondContact O-CB 3.3Å; T425-W428 PolarHBondContact O-N 3.42Å; H426-W428 VanDerWaalsContact C-N 3.32Å; H426-W428 PolarHBondContact O-N 2.98Å; W428-Q431 PolarHBondContact O-N 3Å; W428-L432 HydrophobicContact CE3-CD1 3.69Å; W428-L432 HydrophobicContact CE3-CD2 4.32Å; W428-L432 HydrophobicContact CE3-CG 3.88Å; W428-L432 HydrophobicContact CZ3-CD1 4.21Å; W428-L432 HydrophobicContact CZ3-CD2 4.26Å; W428-L432 HydrophobicContact CZ3-CG 4.31Å; W428-L432 VanDerWaalsContact O-CB 3.27Å; W428-L432 WeakPolarHBondContact O-CB 3.44Å; W428-L432 VanDerWaalsContact O-CG 3.29Å; W428-L432 WeakPolarHBondContact O-CG 3.44Å; W428-L432 PolarHBondContact O-N 3.38Å
429	N	97.4	Very high	97.3	Very high	47 Å²	47	27.6 Å²	27.6	25%	0.251	14%	0.144	S	C	.	.	H	α-helix	trans	-63.5	-46.2	178.7	-73.1	-29.2	0	0	0	111.6	K200 T425 H426 E427 Q431 L432 D433	K200-N429 WeakPolarHBondContact CE-OD1 3.33Å; K200-N429 PolarHBondContact NZ-OD1 2.83Å; T425-N429 WeakPolarHBondContact O-CB 3.45Å; T425-N429 VanDerWaalsContact O-CG 3.3Å; T425-N429 PolarHBondContact O-N 3.43Å; T425-N429 PolarHBondContact O-ND2 2.91Å; H426-N429 PolarHBondContact O-N 2.89Å; E427-N429 PolarHBondContact O-N 2.91Å; N429-Q431 VanDerWaalsContact C-N 3.29Å; N429-Q431 PolarHBondContact O-N 2.65Å; N429-L432 PolarHBondContact O-N 3.35Å; N429-D433 WeakPolarHBondContact O-CB 3.36Å; N429-D433 PolarHBondContact O-N 3.25Å
430	V	96.9	Very high	97.5	Very high	14 Å²	14	32.3 Å²	32.3	9%	0.085	17%	0.165	C	C	.	.	H	α-helix	trans	-57.7	-42.3	177.2	167	0	0	0	0	111.2	F366 F382 H426 E427 N434	F366-V430 HydrophobicContact CB-CG1 3.5Å; F366-V430 VanDerWaalsContact CB-CG1 3.5Å; F382-V430 HydrophobicContact CE1-CG1 3.68Å; F382-V430 HydrophobicContact CZ-CG1 4.29Å; H426-V430 WeakPolarHBondContact O-CB 3.46Å; H426-V430 WeakPolarHBondContact O-CG2 3.25Å; H426-V430 PolarHBondContact O-N 3Å; E427-V430 PolarHBondContact O-N 2.87Å; V430-N434 WeakPolarHBondContact O-CB 3.31Å; V430-N434 PolarHBondContact O-ND2 2.89Å
431	Q	97.3	Very high	97.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-54.7	176.5	-61.7	-71.7	39.5	0	0	111.5	D365 Y422 E427 W428 N429 D433 N434 Y435	D365-Q431 PolarHBondContact OD1-NE2 2.78Å; Y422-Q431 HydrophobicContact CE1-CB 4.34Å; Y422-Q431 HydrophobicContact CE1-CG 4.16Å; E427-Q431 WeakPolarHBondContact O-CG 3.21Å; E427-Q431 PolarHBondContact O-N 3.02Å; W428-Q431 PolarHBondContact O-N 3Å; N429-Q431 VanDerWaalsContact C-N 3.29Å; N429-Q431 PolarHBondContact O-N 2.65Å; Q431-D433 PolarHBondContact O-N 2.01Å; Q431-N434 PolarHBondContact O-N 3.23Å; Q431-Y435 WeakPolarHBondContact O-CB 3.14Å; Q431-Y435 WeakPolarHBondContact O-CD2 3.42Å; Q431-Y435 PolarHBondContact O-N 3.4Å
432	L	97.3	Very high	97.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-47	-174.2	-72.4	178.6	0	0	0	112.4	I196 K200 W428 N429 N434 Y435 N436 F454	I196-L432 HydrophobicContact CG2-CD1 3.66Å; K200-L432 HydrophobicContact CD-CD1 3.62Å; W428-L432 HydrophobicContact CE3-CD1 3.69Å; W428-L432 HydrophobicContact CE3-CD2 4.32Å; W428-L432 HydrophobicContact CE3-CG 3.88Å; W428-L432 HydrophobicContact CZ3-CD1 4.21Å; W428-L432 HydrophobicContact CZ3-CD2 4.26Å; W428-L432 HydrophobicContact CZ3-CG 4.31Å; W428-L432 VanDerWaalsContact O-CB 3.27Å; W428-L432 WeakPolarHBondContact O-CB 3.44Å; W428-L432 VanDerWaalsContact O-CG 3.29Å; W428-L432 WeakPolarHBondContact O-CG 3.44Å; W428-L432 PolarHBondContact O-N 3.38Å; N429-L432 PolarHBondContact O-N 3.35Å; L432-N434 VanDerWaalsContact C-N 3.31Å; L432-N434 PolarHBondContact O-N 2.95Å; L432-Y435 PolarHBondContact O-N 2.75Å; L432-N436 WeakPolarHBondContact O-CB 3.3Å; L432-N436 VanDerWaalsContact O-CG 3.25Å; L432-N436 PolarHBondContact O-N 3.06Å; L432-N436 PolarHBondContact O-ND2 3.07Å; L432-F454 HydrophobicContact CD2-CD1 4.45Å; L432-F454 HydrophobicContact CD2-CD2 4.07Å; L432-F454 HydrophobicContact CD2-CE1 3.94Å; L432-F454 HydrophobicContact CD2-CE2 3.51Å; L432-F454 HydrophobicContact CD2-CG 4.5Å; L432-F454 HydrophobicContact CD2-CZ 3.42Å; L432-F454 VanDerWaalsContact CD2-CZ 3.42Å
433	D	96.8	Very high	97.7	Very high	73 Å²	73	36.6 Å²	36.6	39%	0.39	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-36.1	-172.8	-60.5	-13.9	0	0	0	111.3	K200 N429 Q431 K437	K200-D433 IonicContact NZ-OD1 3.51Å; K200-D433 PolarHBondContact NZ-OD1 3.46Å; N429-D433 WeakPolarHBondContact O-CB 3.36Å; N429-D433 PolarHBondContact O-N 3.25Å; Q431-D433 PolarHBondContact O-N 2.01Å; D433-K437 WeakPolarHBondContact O-CG 3.38Å; D433-K437 PolarHBondContact O-N 3.44Å
434	N	98.1	Very high	97.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-74.9	-43.5	176.7	-74.8	-67.3	0	0	0	112.3	F366 F382 I383 V430 Q431 L432 K437 L438	F366-N434 HydrophobicContact CD1-CB 3.94Å; F366-N434 HydrophobicContact CD2-CB 3.39Å; F366-N434 HydrophobicContact CE1-CB 3.88Å; F366-N434 HydrophobicContact CE2-CB 3.33Å; F366-N434 HydrophobicContact CG-CB 3.71Å; F366-N434 HydrophobicContact CZ-CB 3.58Å; F382-N434 WeakPolarHBondContact CA-OD1 3.37Å; F382-N434 WeakPolarHBondContact CD1-ND2 3.23Å; I383-N434 HydrophobicContact CB-CB 4.39Å; I383-N434 HydrophobicContact CG1-CB 3.99Å; I383-N434 PolarHBondContact N-OD1 3.27Å; V430-N434 WeakPolarHBondContact O-CB 3.31Å; V430-N434 PolarHBondContact O-ND2 2.89Å; Q431-N434 PolarHBondContact O-N 3.23Å; L432-N434 VanDerWaalsContact C-N 3.31Å; L432-N434 PolarHBondContact O-N 2.95Å; N434-K437 PolarHBondContact O-N 2.76Å; N434-L438 WeakPolarHBondContact O-CG 3.08Å; N434-L438 PolarHBondContact O-N 2.92Å
435	Y	98.1	Very high	97.7	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-36.9	174.9	-90.7	-82.3	0	0	0	112.2	I164 F364 F366 L395 L416 Q431 L432 K437 L438 I439 F454	I164-Y435 HydrophobicContact CD1-CD1 3.54Å; I164-Y435 HydrophobicContact CD1-CE1 3.75Å; F364-Y435 WeakPolarHBondContact O-CE2 3.49Å; F364-Y435 PolarHBondContact O-OH 3.18Å; F366-Y435 HydrophobicContact CD2-CD2 4.08Å; F366-Y435 HydrophobicContact CD2-CE2 4.05Å; F366-Y435 AromaticContact CE2-CD2 3.72Å; F366-Y435 HydrophobicContact CE2-CD2 3.72Å; F366-Y435 AromaticContact CE2-CE2 3.71Å; F366-Y435 HydrophobicContact CE2-CE2 3.71Å; F366-Y435 HydrophobicContact CE2-CG 4.45Å; L395-Y435 HydrophobicContact CD2-CE1 4.34Å; L416-Y435 HydrophobicContact CD1-CE2 3.66Å; L416-Y435 WeakPolarHBondContact CD1-OH 3.18Å; L416-Y435 HydrophobicContact CD2-CD2 3.84Å; L416-Y435 HydrophobicContact CD2-CE2 3.54Å; L416-Y435 HydrophobicContact CG-CE2 4.27Å; Q431-Y435 WeakPolarHBondContact O-CB 3.14Å; Q431-Y435 WeakPolarHBondContact O-CD2 3.42Å; Q431-Y435 PolarHBondContact O-N 3.4Å; L432-Y435 PolarHBondContact O-N 2.75Å; Y435-K437 VanDerWaalsContact C-N 3.34Å; Y435-K437 PolarHBondContact O-N 3.15Å; Y435-L438 PolarHBondContact O-N 2.92Å; Y435-I439 VanDerWaalsContact O-CB 3.31Å; Y435-I439 WeakPolarHBondContact O-CB 3.17Å; Y435-I439 WeakPolarHBondContact O-CD1 3.18Å; Y435-I439 WeakPolarHBondContact O-CG1 3.26Å; Y435-I439 PolarHBondContact O-N 3.36Å; Y435-F454 VanDerWaalsContact CB-CZ 3.45Å; Y435-F454 HydrophobicContact CG-CE1 4.46Å; Y435-F454 HydrophobicContact CG-CZ 4.17Å
436	N	98	Very high	97.6	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-41.6	176.6	-84.3	-21.4	0	0	0	111.6	E202 L432 I439 Q440 F454	E202-N436 PolarHBondContact OE1-ND2 3.13Å; L432-N436 WeakPolarHBondContact O-CB 3.3Å; L432-N436 VanDerWaalsContact O-CG 3.25Å; L432-N436 PolarHBondContact O-N 3.06Å; L432-N436 PolarHBondContact O-ND2 3.07Å; N436-I439 PolarHBondContact O-N 2.9Å; N436-Q440 VanDerWaalsContact O-CB 3.26Å; N436-Q440 WeakPolarHBondContact O-CB 3.36Å; N436-Q440 PolarHBondContact O-N 3.46Å; N436-F454 WeakPolarHBondContact OD1-CE2 2.95Å
437	K	98.4	Very high	97.5	Very high	85 Å²	85	42.4 Å²	42.4	37%	0.37	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-44.2	173.7	-71.6	169.4	178.8	167.3	0	112.2	I383 D433 N434 Y435 H441	I383-K437 HydrophobicContact CB-CB 4.28Å; I383-K437 HydrophobicContact CB-CD 4.12Å; I383-K437 HydrophobicContact CG2-CB 3.65Å; I383-K437 HydrophobicContact CG2-CD 4.05Å; I383-K437 WeakPolarHBondContact O-CD 3.25Å; I383-K437 WeakPolarHBondContact O-CE 3.35Å; I383-K437 PolarHBondContact O-NZ 2.74Å; D433-K437 WeakPolarHBondContact O-CG 3.38Å; D433-K437 PolarHBondContact O-N 3.44Å; N434-K437 PolarHBondContact O-N 2.76Å; Y435-K437 VanDerWaalsContact C-N 3.34Å; Y435-K437 PolarHBondContact O-N 3.15Å; K437-H441 WeakPolarHBondContact O-CB 3.06Å; K437-H441 PolarHBondContact O-N 2.89Å
438	L	98.5	Very high	97.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-45.4	176.8	-69.8	166	0	0	0	111.9	F364 F366 I383 V388 R391 A392 L395 N434 Y435 H441 I442	F364-L438 HydrophobicContact CD1-CD1 4.01Å; F364-L438 HydrophobicContact CE1-CD1 4.21Å; F366-L438 HydrophobicContact CE2-CD1 4.42Å; F366-L438 HydrophobicContact CZ-CD1 3.95Å; I383-L438 HydrophobicContact CD1-CD1 4.16Å; I383-L438 HydrophobicContact CD1-CD2 4.06Å; I383-L438 HydrophobicContact CD1-CG 4.23Å; I383-L438 HydrophobicContact CG1-CD1 3.96Å; I383-L438 HydrophobicContact CG1-CD2 4.29Å; I383-L438 HydrophobicContact CG1-CG 3.94Å; I383-L438 HydrophobicContact CG2-CD2 4.33Å; I383-L438 HydrophobicContact CG2-CG 4.27Å; V388-L438 HydrophobicContact CG2-CD2 4.45Å; R391-L438 HydrophobicContact CB-CD2 4.06Å; A392-L438 HydrophobicContact CB-CD2 4.14Å; L395-L438 HydrophobicContact CD2-CD1 3.94Å; N434-L438 WeakPolarHBondContact O-CG 3.08Å; N434-L438 PolarHBondContact O-N 2.92Å; Y435-L438 PolarHBondContact O-N 2.92Å; L438-H441 PolarHBondContact O-N 3.03Å; L438-I442 WeakPolarHBondContact O-CB 3.29Å; L438-I442 WeakPolarHBondContact O-CG1 3.06Å; L438-I442 PolarHBondContact O-N 3.39Å
439	I	98.2	Very high	97.3	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-49.6	177.1	-73.5	165.7	0	0	0	110	I164 Y435 N436 H441 I442 N443 I452 F454	I164-I439 HydrophobicContact CD1-CD1 4.32Å; Y435-I439 VanDerWaalsContact O-CB 3.31Å; Y435-I439 WeakPolarHBondContact O-CB 3.17Å; Y435-I439 WeakPolarHBondContact O-CD1 3.18Å; Y435-I439 WeakPolarHBondContact O-CG1 3.26Å; Y435-I439 PolarHBondContact O-N 3.36Å; N436-I439 PolarHBondContact O-N 2.9Å; I439-H441 PolarHBondContact O-N 3.28Å; I439-I442 PolarHBondContact O-N 3.34Å; I439-N443 WeakPolarHBondContact CG2-ND2 3.29Å; I439-N443 WeakPolarHBondContact O-CB 3.42Å; I439-N443 VanDerWaalsContact O-CG 3.24Å; I439-N443 PolarHBondContact O-N 3.46Å; I439-I452 HydrophobicContact CD1-CG2 4.47Å; I439-I452 HydrophobicContact CG1-CB 4.16Å; I439-I452 HydrophobicContact CG1-CG2 3.78Å; I439-I452 WeakPolarHBondContact CG2-O 3.4Å; I439-F454 HydrophobicContact CD1-CD2 3.98Å; I439-F454 HydrophobicContact CD1-CE2 3.72Å; I439-F454 HydrophobicContact CD1-CZ 4.18Å
440	Q	98	Very high	97.4	Very high	135 Å²	135	45.1 Å²	45.1	63%	0.631	24%	0.244	S	C	*	.	H	α-helix	trans	-60.2	-46.1	179.3	-175.5	-179.8	5.7	0	0	111	N436 S444	N436-Q440 VanDerWaalsContact O-CB 3.26Å; N436-Q440 WeakPolarHBondContact O-CB 3.36Å; N436-Q440 PolarHBondContact O-N 3.46Å; Q440-S444 WeakPolarHBondContact O-CB 3.13Å; Q440-S444 PolarHBondContact O-N 2.85Å; Q440-S444 PolarHBondContact O-OG 3.29Å
441	H	98.5	Very high	97.4	Very high	44 Å²	44	49.2 Å²	49.2	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-48.1	178.9	-176.1	89.8	0	0	0	112.1	V388 K437 L438 I439 N445 Y448	V388-H441 HydrophobicContact CG2-CB 3.55Å; K437-H441 WeakPolarHBondContact O-CB 3.06Å; K437-H441 PolarHBondContact O-N 2.89Å; L438-H441 PolarHBondContact O-N 3.03Å; I439-H441 PolarHBondContact O-N 3.28Å; H441-N445 PolarHBondContact CD2-ND2 2.74Å; H441-N445 PolarHBondContact CE1-ND2 2.89Å; H441-N445 PolarHBondContact NE2-ND2 3.07Å; H441-N445 WeakPolarHBondContact O-CB 3.34Å; H441-N445 PolarHBondContact O-N 2.99Å; H441-N445 PolarHBondContact O-ND2 2.93Å; H441-Y448 AromaticContact CD2-CE2 3.98Å; H441-Y448 AromaticContact NE2-CE2 3.95Å
442	I	98.3	Very high	97.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-47.3	-177.3	-68.8	170	0	0	0	110.8	A392 L438 I439 S444 N445 Y448 M450 I452	A392-I442 HydrophobicContact CB-CD1 3.88Å; A392-I442 HydrophobicContact CB-CG1 3.69Å; L438-I442 WeakPolarHBondContact O-CB 3.29Å; L438-I442 WeakPolarHBondContact O-CG1 3.06Å; L438-I442 PolarHBondContact O-N 3.39Å; I439-I442 PolarHBondContact O-N 3.34Å; I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 3.46Å; I442-N445 PolarHBondContact O-N 3.43Å; I442-N445 VanDerWaalsContact O-N 3.14Å; I442-Y448 HydrophobicContact CB-CG 4.49Å; I442-Y448 HydrophobicContact CG1-CD1 4.12Å; I442-Y448 HydrophobicContact CG1-CE1 4.05Å; I442-Y448 HydrophobicContact CG1-CG 4.39Å; I442-Y448 HydrophobicContact CG2-CD1 4.15Å; I442-Y448 HydrophobicContact CG2-CG 3.95Å; I442-M450 HydrophobicContact CG2-CB 3.95Å; I442-M450 HydrophobicContact CG2-CG 4.31Å; I442-M450 HydrophobicContact CG2-SD 4.29Å; I442-I452 HydrophobicContact CB-CD1 3.95Å; I442-I452 HydrophobicContact CD1-CD1 3.4Å; I442-I452 HydrophobicContact CG1-CD1 4.24Å; I442-I452 HydrophobicContact CG2-CD1 3.66Å; I442-I452 HydrophobicContact CG2-CG1 4.05Å
443	N	98	Very high	97.5	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-28.8	-178.5	-70.1	-7.3	0	0	0	112.9	I439 N445 K451 I452	I439-N443 WeakPolarHBondContact CG2-ND2 3.29Å; I439-N443 WeakPolarHBondContact O-CB 3.42Å; I439-N443 VanDerWaalsContact O-CG 3.24Å; I439-N443 PolarHBondContact O-N 3.46Å; N443-N445 VanDerWaalsContact C-N 3.29Å; N443-K451 WeakPolarHBondContact OD1-CA 3.32Å; N443-I452 PolarHBondContact ND2-O 3.2Å; N443-I452 PolarHBondContact OD1-N 3.14Å
444	S	97.9	Very high	97.5	Very high	83 Å²	83	49 Å²	49	58%	0.58	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.1	177.3	-55.9	0	0	0	0	113.4	Q440 I442 P446	Q440-S444 WeakPolarHBondContact O-CB 3.13Å; Q440-S444 PolarHBondContact O-N 2.85Å; Q440-S444 PolarHBondContact O-OG 3.29Å; I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 3.46Å; S444-P446 WeakPolarHBondContact O-CD 3.12Å
445	N	96.9	Very high	97.5	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	25%	0.254	S	S	.	.			trans	-114.2	96	-175.8	-76.6	-44	0	0	0	110.9	H441 I442 N443 S447 Y448	H441-N445 PolarHBondContact CD2-ND2 2.74Å; H441-N445 PolarHBondContact CE1-ND2 2.89Å; H441-N445 PolarHBondContact NE2-ND2 3.07Å; H441-N445 WeakPolarHBondContact O-CB 3.34Å; H441-N445 PolarHBondContact O-N 2.99Å; H441-N445 PolarHBondContact O-ND2 2.93Å; I442-N445 PolarHBondContact O-N 3.43Å; I442-N445 VanDerWaalsContact O-N 3.14Å; N443-N445 VanDerWaalsContact C-N 3.29Å; N445-S447 PolarHBondContact O-N 3.03Å; N445-Y448 HydrophobicContact CB-CD2 3.53Å; N445-Y448 HydrophobicContact CB-CE2 3.84Å; N445-Y448 PolarHBondContact O-N 3.06Å
446	P	94.1	Very high	97.5	Very high	114 Å²	114	48.6 Å²	48.6	74%	0.74	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.5	-177.6	-25.9	34.5	0	0	0	114.8	S444 Y448 R449	S444-P446 WeakPolarHBondContact O-CD 3.12Å; P446-Y448 PolarHBondContact O-N 3.47Å; P446-R449 PolarHBondContact O-N 3.49Å; P446-R449 VanDerWaalsContact O-N 3.12Å
447	S	94.6	Very high	97.6	Very high	84 Å²	84	46.4 Å²	46.4	59%	0.587	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-59.7	-29	175	56	0	0	0	0	113.1	N445 R449	N445-S447 PolarHBondContact O-N 3.03Å; S447-R449 PolarHBondContact O-N 3.34Å
448	Y	96.4	Very high	97.5	Very high	12 Å²	12	44 Å²	44	5%	0.047	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-68.5	-24.6	177.3	-80.2	-91.2	0	0	0	113	A389 A392 D393 A396 R400 H441 I442 N445 P446 M450	A389-Y448 PolarHBondContact O-OH 3.09Å; A392-Y448 HydrophobicContact CB-CE1 4.26Å; A392-Y448 VanDerWaalsContact CB-OH 3.26Å; A392-Y448 WeakPolarHBondContact CB-OH 3.47Å; D393-Y448 PolarHBondContact N-OH 2.94Å; D393-Y448 PolarHBondContact OD1-OH 2.88Å; D393-Y448 VanDerWaalsContact OD1-OH 3.08Å; A396-Y448 HydrophobicContact CB-CD1 3.63Å; A396-Y448 HydrophobicContact CB-CE1 3.76Å; R400-Y448 PolarHBondContact NH2-O 3.06Å; H441-Y448 AromaticContact CD2-CE2 3.98Å; H441-Y448 AromaticContact NE2-CE2 3.95Å; I442-Y448 HydrophobicContact CB-CG 4.49Å; I442-Y448 HydrophobicContact CG1-CD1 4.12Å; I442-Y448 HydrophobicContact CG1-CE1 4.05Å; I442-Y448 HydrophobicContact CG1-CG 4.39Å; I442-Y448 HydrophobicContact CG2-CD1 4.15Å; I442-Y448 HydrophobicContact CG2-CG 3.95Å; N445-Y448 HydrophobicContact CB-CD2 3.53Å; N445-Y448 HydrophobicContact CB-CE2 3.84Å; N445-Y448 PolarHBondContact O-N 3.06Å; P446-Y448 PolarHBondContact O-N 3.47Å; Y448-M450 PolarHBondContact O-N 3.2Å
449	R	96.4	Very high	97.5	Very high	81 Å²	81	47.1 Å²	47.1	31%	0.306	25%	0.253	S	S	.	.			trans	50.8	43	-174.7	-61.6	174.7	176.1	155	2.2	111.7	M152 W155 P159 L160 P446 S447	M152-R449 VanDerWaalsContact C-NH1 3.27Å; M152-R449 PolarHBondContact O-NH1 3.47Å; W155-R449 HydrophobicContact CB-CB 4.32Å; P159-R449 CarbonylContact C-O 3.59Å; P159-R449 WeakPolarHBondContact CA-O 3.43Å; L160-R449 PolarHBondContact N-O 2.72Å; P446-R449 PolarHBondContact O-N 3.49Å; P446-R449 VanDerWaalsContact O-N 3.12Å; S447-R449 PolarHBondContact O-N 3.34Å
450	M	97.7	Very high	97.5	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.4	-172.8	-167	177.9	-52.9	0	0	110.1	L160 V162 A396 Y399 R400 I442 Y448 I452	L160-M450 HydrophobicContact CB-CB 4.49Å; L160-M450 HydrophobicContact CB-CG 4.16Å; L160-M450 HydrophobicContact CD2-CE 3.84Å; L160-M450 HydrophobicContact CD2-CG 4.5Å; L160-M450 HydrophobicContact CD2-SD 4.45Å; L160-M450 HydrophobicContact CG-CG 4.48Å; L160-M450 CarbonylContact O-C 3.57Å; L160-M450 WeakPolarHBondContact O-CA 3.47Å; L160-M450 WeakPolarHBondContact O-CG 3.23Å; V162-M450 HydrophobicContact CG2-CG 3.88Å; V162-M450 HydrophobicContact CG2-SD 3.71Å; A396-M450 HydrophobicContact CB-CE 3.7Å; A396-M450 HydrophobicContact CB-SD 4.48Å; Y399-M450 HydrophobicContact CD2-SD 3.86Å; R400-M450 HydrophobicContact CG-CE 4.14Å; I442-M450 HydrophobicContact CG2-CB 3.95Å; I442-M450 HydrophobicContact CG2-CG 4.31Å; I442-M450 HydrophobicContact CG2-SD 4.29Å; Y448-M450 PolarHBondContact O-N 3.2Å; M450-I452 HydrophobicContact CG-CD1 4.25Å; M450-I452 HydrophobicContact CG-CG1 3.74Å; M450-I452 HydrophobicContact SD-CD1 3.56Å; M450-I452 VanDerWaalsContact SD-CD1 3.56Å; M450-I452 HydrophobicContact SD-CG1 3.67Å
451	K	97.7	Very high	97.5	Very high	101 Å²	101	40 Å²	40	44%	0.439	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.8	170.2	179.6	-173.7	169.4	-150.2	0	108.1	L160 E161 V162 N443	L160-K451 PolarHBondContact O-N 2.84Å; E161-K451 CarbonylContact C-O 3.58Å; E161-K451 WeakPolarHBondContact CA-O 3.48Å; E161-K451 HydrophobicContact CG-CD 4.4Å; E161-K451 IonicContact OE1-NZ 2.88Å; E161-K451 PolarHBondContact OE1-NZ 3.16Å; V162-K451 PolarHBondContact N-O 2.75Å; N443-K451 WeakPolarHBondContact OD1-CA 3.32Å
452	I	98.1	Very high	97.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.2	-176.9	-48.5	180	0	0	0	109.1	V162 I164 Y399 I439 I442 N443 M450	V162-I452 HydrophobicContact CB-CB 4.38Å; V162-I452 HydrophobicContact CB-CG1 4.06Å; V162-I452 HydrophobicContact CB-CG2 4.15Å; V162-I452 HydrophobicContact CG1-CG2 4.27Å; V162-I452 HydrophobicContact CG2-CG1 4.25Å; I164-I452 HydrophobicContact CD1-CG2 3.41Å; I164-I452 VanDerWaalsContact CD1-CG2 3.41Å; I164-I452 HydrophobicContact CG1-CG2 3.95Å; Y399-I452 HydrophobicContact CD2-CD1 4.17Å; Y399-I452 HydrophobicContact CE2-CD1 3.99Å; I439-I452 HydrophobicContact CD1-CG2 4.47Å; I439-I452 HydrophobicContact CG1-CB 4.16Å; I439-I452 HydrophobicContact CG1-CG2 3.78Å; I439-I452 WeakPolarHBondContact CG2-O 3.4Å; I442-I452 HydrophobicContact CB-CD1 3.95Å; I442-I452 HydrophobicContact CD1-CD1 3.4Å; I442-I452 HydrophobicContact CG1-CD1 4.24Å; I442-I452 HydrophobicContact CG2-CD1 3.66Å; I442-I452 HydrophobicContact CG2-CG1 4.05Å; N443-I452 PolarHBondContact ND2-O 3.2Å; N443-I452 PolarHBondContact OD1-N 3.14Å; M450-I452 HydrophobicContact CG-CD1 4.25Å; M450-I452 HydrophobicContact CG-CG1 3.74Å; M450-I452 HydrophobicContact SD-CD1 3.56Å; M450-I452 VanDerWaalsContact SD-CD1 3.56Å; M450-I452 HydrophobicContact SD-CG1 3.67Å
453	H	98.2	Very high	97.4	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.255	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	156.6	175.3	57.9	140.4	0	0	0	111.3	E161 V162 F163 I164	E161-H453 IonicContact OE1-NE2 2.77Å; V162-H453 PolarHBondContact O-CD2 3.12Å; V162-H453 PolarHBondContact O-N 3.3Å; F163-H453 AromaticContact CE1-NE2 3.81Å; I164-H453 PolarHBondContact N-O 3.1Å
454	F	98.5	Very high	97.4	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.6	166.2	-66.5	-68.4	0	0	0	110.2	I164 P166 E202 R204 L416 L432 Y435 N436 I439	I164-F454 HydrophobicContact CB-CD1 4.01Å; I164-F454 HydrophobicContact CB-CE1 4.37Å; I164-F454 HydrophobicContact CG2-CD1 3.74Å; I164-F454 HydrophobicContact CG2-CE1 3.75Å; I164-F454 CarbonylContact O-C 3.5Å; I164-F454 WeakPolarHBondContact O-CA 3.32Å; P166-F454 HydrophobicContact CG-CD1 3.8Å; P166-F454 HydrophobicContact CG-CE1 4.15Å; E202-F454 HydrophobicContact CG-CD2 4.41Å; E202-F454 WeakPolarHBondContact O-CB 3.28Å; R204-F454 HydrophobicContact CB-CB 4.47Å; R204-F454 HydrophobicContact CG-CB 4.33Å; L416-F454 HydrophobicContact CD2-CE1 4.33Å; L432-F454 HydrophobicContact CD2-CD1 4.45Å; L432-F454 HydrophobicContact CD2-CD2 4.07Å; L432-F454 HydrophobicContact CD2-CE1 3.94Å; L432-F454 HydrophobicContact CD2-CE2 3.51Å; L432-F454 HydrophobicContact CD2-CG 4.5Å; L432-F454 HydrophobicContact CD2-CZ 3.42Å; L432-F454 VanDerWaalsContact CD2-CZ 3.42Å; Y435-F454 VanDerWaalsContact CB-CZ 3.45Å; Y435-F454 HydrophobicContact CG-CE1 4.46Å; Y435-F454 HydrophobicContact CG-CZ 4.17Å; N436-F454 WeakPolarHBondContact OD1-CE2 2.95Å; I439-F454 HydrophobicContact CD1-CD2 3.98Å; I439-F454 HydrophobicContact CD1-CE2 3.72Å; I439-F454 HydrophobicContact CD1-CZ 4.18Å
455	S	98.1	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.			trans	-156.7	-173.8	-171.7	-149.4	0	0	0	0	112	F163 I164 R204 N459	F163-S455 WeakPolarHBondContact CD1-OG 3.29Å; I164-S455 PolarHBondContact O-N 2.83Å; R204-S455 VanDerWaalsContact CB-O 3.31Å; R204-S455 WeakPolarHBondContact CB-O 2.97Å; S455-N459 WeakPolarHBondContact OG-CB 3.49Å; S455-N459 PolarHBondContact OG-ND2 2.83Å
456	T	98.2	Very high	97.3	Very high	3 Å²	3	41 Å²	41	2%	0.018	22%	0.215	C	C	.	.			trans	-128.2	173	179	66.9	0	0	0	0	109.6	R204 G235 E238 N459 Y460	R204-T456 HydrophobicContact CB-CG2 4.05Å; R204-T456 HydrophobicContact CG-CG2 4.3Å; G235-T456 WeakPolarHBondContact O-CG2 3.47Å; E238-T456 HydrophobicContact CB-CG2 4.18Å; E238-T456 WeakPolarHBondContact OE2-CB 3.15Å; T456-N459 PolarHBondContact O-N 2.59Å; T456-N459 PolarHBondContact OG1-ND2 3.34Å; T456-Y460 PolarHBondContact O-N 3.17Å
457	L	98.2	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.2	-42.2	-178.8	-52.7	-174.1	0	0	0	111.6	V165 V206 E238 V240 V278 W280 I304 L413 N459 Y460 F461	V165-L457 HydrophobicContact CG1-CD2 3.96Å; V165-L457 HydrophobicContact CG2-CD2 4.28Å; V206-L457 HydrophobicContact CG1-CD1 4.42Å; V206-L457 HydrophobicContact CG1-CG 4.48Å; V206-L457 HydrophobicContact CG2-CG 4.15Å; E238-L457 WeakPolarHBondContact OE2-CB 3.18Å; E238-L457 PolarHBondContact OE2-N 3.31Å; V240-L457 HydrophobicContact CB-CD1 4.11Å; V240-L457 HydrophobicContact CG1-CD1 3.5Å; V240-L457 VanDerWaalsContact CG1-CD1 3.5Å; V240-L457 HydrophobicContact CG1-CG 4.08Å; V240-L457 HydrophobicContact CG2-CD1 4.44Å; V278-L457 HydrophobicContact CB-CB 4.39Å; V278-L457 HydrophobicContact CG1-CB 4.07Å; V278-L457 HydrophobicContact CG1-CD1 3.92Å; V278-L457 HydrophobicContact CG2-CB 4.4Å; W280-L457 HydrophobicContact CB-CD1 4.42Å; W280-L457 HydrophobicContact CD2-CD1 3.96Å; W280-L457 HydrophobicContact CE3-CD1 3.16Å; W280-L457 HydrophobicContact CE3-CD2 3.9Å; W280-L457 HydrophobicContact CE3-CG 4.14Å; W280-L457 HydrophobicContact CH2-CD2 4.06Å; W280-L457 HydrophobicContact CZ3-CD1 3.59Å; W280-L457 HydrophobicContact CZ3-CD2 3.32Å; W280-L457 HydrophobicContact CZ3-CG 4.07Å; I304-L457 HydrophobicContact CD1-CD1 4.06Å; I304-L457 HydrophobicContact CD1-CD2 4.02Å; I304-L457 HydrophobicContact CD1-CG 4.48Å; L413-L457 HydrophobicContact CD1-CD2 4.04Å; L413-L457 HydrophobicContact CD2-CD2 4.21Å; L457-N459 PolarHBondContact O-N 3.19Å; L457-Y460 WeakPolarHBondContact O-CB 3.22Å; L457-Y460 PolarHBondContact O-N 3.45Å; L457-Y460 VanDerWaalsContact O-N 3.13Å; L457-F461 VanDerWaalsContact O-CD2 3.27Å; L457-F461 WeakPolarHBondContact O-CD2 3.16Å; L457-F461 PolarHBondContact O-N 3.05Å
458	S	97.9	Very high	97.3	Very high	34 Å²	34	32 Å²	32	24%	0.238	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-37.4	175.7	-76.2	0	0	0	0	111.9	E238 F461 H462	E238-S458 WeakPolarHBondContact OE1-CB 3.36Å; E238-S458 PolarHBondContact OE1-N 2.8Å; E238-S458 VanDerWaalsContact OE1-N 3.16Å; E238-S458 PolarHBondContact OE1-OG 3.24Å; E238-S458 PolarHBondContact OE2-N 3.43Å; S458-F461 PolarHBondContact O-N 3.36Å; S458-H462 VanDerWaalsContact O-CB 3.27Å; S458-H462 WeakPolarHBondContact O-CB 3.29Å; S458-H462 PolarHBondContact O-N 2.99Å
459	N	97.8	Very high	97.2	Very high	67 Å²	67	35.6 Å²	35.6	36%	0.358	17%	0.173	S	C	.	.	H	α-helix	trans	-67.3	-40	176.6	-72.4	-11.1	0	0	0	112.5	F163 S455 T456 L457 H462 A463	F163-N459 HydrophobicContact CE1-CB 4.46Å; S455-N459 WeakPolarHBondContact OG-CB 3.49Å; S455-N459 PolarHBondContact OG-ND2 2.83Å; T456-N459 PolarHBondContact O-N 2.59Å; T456-N459 PolarHBondContact OG1-ND2 3.34Å; L457-N459 PolarHBondContact O-N 3.19Å; N459-H462 PolarHBondContact O-N 2.99Å; N459-A463 PolarHBondContact O-N 2.81Å
460	Y	98.5	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-49.3	174.5	172.1	-99.7	0	0	0	111.4	F163 E323 H341 N408 L411 L413 T456 L457 H462 A463 L464	F163-Y460 HydrophobicContact CB-CD2 4.25Å; F163-Y460 HydrophobicContact CD1-CD2 4.47Å; F163-Y460 AromaticContact CD2-CD2 3.67Å; F163-Y460 HydrophobicContact CD2-CD2 3.67Å; F163-Y460 HydrophobicContact CD2-CE2 4.42Å; F163-Y460 HydrophobicContact CE2-CD2 4.17Å; F163-Y460 AromaticContact CG-CD2 3.88Å; F163-Y460 HydrophobicContact CG-CD2 3.88Å; F163-Y460 HydrophobicContact CG-CG 4.5Å; E323-Y460 PolarHBondContact OE1-OH 2.96Å; H341-Y460 AromaticContact CE1-CZ 3.92Å; H341-Y460 PolarHBondContact CE1-OH 2.92Å; H341-Y460 VanDerWaalsContact CE1-OH 3.26Å; H341-Y460 AromaticContact ND1-CE1 3.76Å; H341-Y460 AromaticContact ND1-CZ 3.83Å; H341-Y460 PolarHBondContact ND1-OH 2.88Å; N408-Y460 PolarHBondContact ND2-OH 3.37Å; L411-Y460 HydrophobicContact CB-CE2 3.75Å; L413-Y460 HydrophobicContact CB-CD1 4.47Å; L413-Y460 HydrophobicContact CB-CD2 3.96Å; L413-Y460 HydrophobicContact CB-CE1 4.37Å; L413-Y460 HydrophobicContact CB-CE2 3.84Å; L413-Y460 HydrophobicContact CB-CG 4.27Å; L413-Y460 HydrophobicContact CD1-CD2 4.33Å; L413-Y460 HydrophobicContact CD1-CG 4.1Å; L413-Y460 HydrophobicContact CD2-CD1 4.35Å; T456-Y460 PolarHBondContact O-N 3.17Å; L457-Y460 WeakPolarHBondContact O-CB 3.22Å; L457-Y460 PolarHBondContact O-N 3.45Å; L457-Y460 VanDerWaalsContact O-N 3.13Å; Y460-H462 VanDerWaalsContact C-N 3.33Å; Y460-H462 PolarHBondContact O-N 3.27Å; Y460-A463 PolarHBondContact O-N 2.91Å; Y460-L464 PolarHBondContact O-N 3.33Å
461	F	97.9	Very high	96.6	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-29.1	179.2	-71.1	-61.6	0	0	0	113.4	V278 Q302 I304 L339 H341 L457 S458 L464 N465	V278-F461 HydrophobicContact CG1-CD2 4.11Å; V278-F461 HydrophobicContact CG1-CE2 3.68Å; V278-F461 HydrophobicContact CG2-CD2 3.86Å; V278-F461 HydrophobicContact CG2-CE2 4.29Å; Q302-F461 HydrophobicContact CB-CD1 3.93Å; Q302-F461 HydrophobicContact CB-CD2 3.79Å; Q302-F461 HydrophobicContact CB-CE1 3.76Å; Q302-F461 HydrophobicContact CB-CE2 3.62Å; Q302-F461 HydrophobicContact CB-CG 3.93Å; Q302-F461 HydrophobicContact CB-CZ 3.6Å; Q302-F461 HydrophobicContact CG-CB 4.11Å; Q302-F461 HydrophobicContact CG-CD1 3.55Å; Q302-F461 HydrophobicContact CG-CD2 3.99Å; Q302-F461 HydrophobicContact CG-CE1 3.84Å; Q302-F461 HydrophobicContact CG-CE2 4.26Å; Q302-F461 HydrophobicContact CG-CG 3.62Å; Q302-F461 HydrophobicContact CG-CZ 4.19Å; I304-F461 HydrophobicContact CD1-CE2 3.72Å; I304-F461 HydrophobicContact CD1-CZ 3.84Å; I304-F461 HydrophobicContact CG1-CE2 3.91Å; I304-F461 HydrophobicContact CG1-CZ 3.78Å; L339-F461 HydrophobicContact CD2-CD1 4.36Å; L339-F461 HydrophobicContact CD2-CE1 4.36Å; H341-F461 HydrophobicContact CB-CE1 4.35Å; H341-F461 HydrophobicContact CB-CZ 4.12Å; L457-F461 VanDerWaalsContact O-CD2 3.27Å; L457-F461 WeakPolarHBondContact O-CD2 3.16Å; L457-F461 PolarHBondContact O-N 3.05Å; S458-F461 PolarHBondContact O-N 3.36Å; F461-L464 HydrophobicContact CD1-CD2 4.1Å; F461-L464 PolarHBondContact O-N 3.1Å; F461-N465 WeakPolarHBondContact O-CB 3.49Å; F461-N465 PolarHBondContact O-N 2.82Å
462	H	97.4	Very high	96.3	Very high	114 Å²	114	44.6 Å²	44.6	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-49.8	170.1	-175.9	79.2	0	0	0	110.9	S458 N459 Y460 L464 N465 E466	S458-H462 VanDerWaalsContact O-CB 3.27Å; S458-H462 WeakPolarHBondContact O-CB 3.29Å; S458-H462 PolarHBondContact O-N 2.99Å; N459-H462 PolarHBondContact O-N 2.99Å; Y460-H462 VanDerWaalsContact C-N 3.33Å; Y460-H462 PolarHBondContact O-N 3.27Å; H462-L464 VanDerWaalsContact C-N 3.3Å; H462-L464 PolarHBondContact O-N 2.66Å; H462-N465 WeakPolarHBondContact O-CB 3.45Å; H462-N465 PolarHBondContact O-N 3.36Å; H462-N465 VanDerWaalsContact O-N 3.14Å; H462-E466 IonicContact NE2-OE1 3.82Å; H462-E466 PolarHBondContact O-N 3.46Å
463	A	97.8	Very high	95.9	Very high	8 Å²	8	46 Å²	46	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-40.1	176.2	0	0	0	0	0	111.7	F163 L411 N459 Y460 N465 E466 R467	F163-A463 HydrophobicContact CE1-CB 4.01Å; F163-A463 HydrophobicContact CE2-CB 4.26Å; F163-A463 HydrophobicContact CZ-CB 3.4Å; F163-A463 VanDerWaalsContact CZ-CB 3.4Å; L411-A463 HydrophobicContact CD1-CB 4.29Å; L411-A463 HydrophobicContact CD2-CB 4.37Å; N459-A463 PolarHBondContact O-N 2.81Å; Y460-A463 PolarHBondContact O-N 2.91Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 3.37Å; A463-E466 WeakPolarHBondContact O-CB 3.2Å; A463-E466 PolarHBondContact O-N 3.3Å; A463-R467 WeakPolarHBondContact O-CG 3.46Å; A463-R467 PolarHBondContact O-N 3.23Å
464	L	97.4	Very high	95.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-47	173.9	178	63.4	0	0	0	111.5	L339 N408 L411 Y460 F461 H462 E466 R467 V468 M475 F479	L339-L464 HydrophobicContact CD2-CD2 3.59Å; N408-L464 HydrophobicContact CB-CD1 3.64Å; L411-L464 HydrophobicContact CD1-CB 3.78Å; L411-L464 HydrophobicContact CD1-CD1 4.11Å; Y460-L464 PolarHBondContact O-N 3.33Å; F461-L464 HydrophobicContact CD1-CD2 4.1Å; F461-L464 PolarHBondContact O-N 3.1Å; H462-L464 VanDerWaalsContact C-N 3.3Å; H462-L464 PolarHBondContact O-N 2.66Å; L464-E466 VanDerWaalsContact C-N 3.31Å; L464-E466 PolarHBondContact O-N 2.99Å; L464-R467 PolarHBondContact O-N 3.37Å; L464-R467 VanDerWaalsContact O-N 3.09Å; L464-V468 HydrophobicContact CD1-CG2 4.33Å; L464-V468 WeakPolarHBondContact O-CG2 2.98Å; L464-V468 PolarHBondContact O-N 3.48Å; L464-M475 HydrophobicContact CG-CE 4.17Å; L464-F479 HydrophobicContact CD1-CE2 4.1Å; L464-F479 HydrophobicContact CD1-CZ 3.7Å; L464-F479 HydrophobicContact CD2-CE2 4.1Å; L464-F479 HydrophobicContact CD2-CZ 4.07Å; L464-F479 HydrophobicContact CG-CE2 4.42Å; L464-F479 HydrophobicContact CG-CZ 4.39Å
465	N	96.2	Very high	95.2	Very high	68 Å²	68	48.2 Å²	48.2	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.1	-168.3	62	0	0	0	112.4	F461 H462 A463 R467 V468 N469 M475	F461-N465 WeakPolarHBondContact O-CB 3.49Å; F461-N465 PolarHBondContact O-N 2.82Å; H462-N465 WeakPolarHBondContact O-CB 3.45Å; H462-N465 PolarHBondContact O-N 3.36Å; H462-N465 VanDerWaalsContact O-N 3.14Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 3.37Å; N465-R467 PolarHBondContact O-N 3.43Å; N465-V468 PolarHBondContact O-N 3.21Å; N465-N469 PolarHBondContact ND2-ND2 3.38Å; N465-N469 WeakPolarHBondContact O-CB 3.07Å; N465-N469 PolarHBondContact O-N 3.04Å; N465-N469 PolarHBondContact O-ND2 2.96Å; N465-N469 VanDerWaalsContact O-ND2 3.08Å; N465-M475 VanDerWaalsContact CA-CE 3.45Å; N465-M475 HydrophobicContact CB-CE 3.94Å
466	E	96.1	Very high	94.7	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-41.3	172.7	-66.6	-167.8	143.4	0	0	112.7	H462 A463 L464 N469 K470	H462-E466 IonicContact NE2-OE1 3.82Å; H462-E466 PolarHBondContact O-N 3.46Å; A463-E466 WeakPolarHBondContact O-CB 3.2Å; A463-E466 PolarHBondContact O-N 3.3Å; L464-E466 VanDerWaalsContact C-N 3.31Å; L464-E466 PolarHBondContact O-N 2.99Å; E466-N469 PolarHBondContact O-N 3.39Å; E466-K470 WeakPolarHBondContact O-CB 3.44Å; E466-K470 VanDerWaalsContact O-CG 3.25Å; E466-K470 WeakPolarHBondContact O-CG 3.46Å; E466-K470 PolarHBondContact O-N 2.98Å
467	R	94.3	Very high	94.3	Very high	8 Å²	8	56.9 Å²	56.9	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-45	176.6	-60.1	-45.2	174.8	98.4	-3.1	111.1	Q158 E161 N409 L411 A463 L464 N465 K470 M471	Q158-R467 VanDerWaalsContact NE2-NH2 3.14Å; E161-R467 IonicContact OE2-CZ 3.77Å; E161-R467 IonicContact OE2-NH2 3.43Å; E161-R467 PolarHBondContact OE2-NH2 2.95Å; N409-R467 PolarHBondContact O-NH1 3.09Å; L411-R467 HydrophobicContact CD1-CG 3.91Å; L411-R467 HydrophobicContact CD2-CG 4.22Å; L411-R467 HydrophobicContact CG-CG 4.18Å; A463-R467 WeakPolarHBondContact O-CG 3.46Å; A463-R467 PolarHBondContact O-N 3.23Å; L464-R467 PolarHBondContact O-N 3.37Å; L464-R467 VanDerWaalsContact O-N 3.09Å; N465-R467 PolarHBondContact O-N 3.43Å; R467-K470 PolarHBondContact O-N 3.39Å; R467-M471 WeakPolarHBondContact O-CE 3.17Å; R467-M471 WeakPolarHBondContact O-CG 3.29Å; R467-M471 PolarHBondContact O-N 3.03Å
468	V	94.2	Very high	94	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-46	178.2	175.2	0	0	0	0	111.5	L464 N465 K470 M471 S473 M475 L478 F479	L464-V468 HydrophobicContact CD1-CG2 4.33Å; L464-V468 WeakPolarHBondContact O-CG2 2.98Å; L464-V468 PolarHBondContact O-N 3.48Å; N465-V468 PolarHBondContact O-N 3.21Å; V468-K470 PolarHBondContact O-N 3.26Å; V468-M471 PolarHBondContact O-N 3.35Å; V468-M471 VanDerWaalsContact O-N 3.13Å; V468-S473 WeakPolarHBondContact CG1-O 3.46Å; V468-S473 PolarHBondContact O-N 2.98Å; V468-M475 HydrophobicContact CB-CE 3.76Å; V468-M475 HydrophobicContact CB-SD 4.29Å; V468-M475 HydrophobicContact CG1-CE 4.16Å; V468-M475 HydrophobicContact CG1-SD 4.3Å; V468-M475 HydrophobicContact CG2-CE 3.48Å; V468-M475 VanDerWaalsContact CG2-CE 3.48Å; V468-M475 HydrophobicContact CG2-SD 3.62Å; V468-L478 HydrophobicContact CG2-CD2 3.47Å; V468-L478 VanDerWaalsContact CG2-CD2 3.47Å; V468-F479 HydrophobicContact CG2-CE2 4.38Å
469	N	93.8	Very high	93.9	Very high	87 Å²	87	57.4 Å²	57.4	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-39.3	178.7	-68.9	-27.6	0	0	0	112.4	N465 E466 M471 N472	N465-N469 PolarHBondContact ND2-ND2 3.38Å; N465-N469 WeakPolarHBondContact O-CB 3.07Å; N465-N469 PolarHBondContact O-N 3.04Å; N465-N469 PolarHBondContact O-ND2 2.96Å; N465-N469 VanDerWaalsContact O-ND2 3.08Å; E466-N469 PolarHBondContact O-N 3.39Å; N469-M471 PolarHBondContact O-N 2.65Å; N469-N472 PolarHBondContact O-N 2.81Å
470	K	92.4	Very high	93.9	Very high	145 Å²	145	55.6 Å²	55.6	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-62.2	-26.4	175.2	-76.3	172.5	-175.4	173	0	113	E466 R467 V468 N472	E466-K470 WeakPolarHBondContact O-CB 3.44Å; E466-K470 VanDerWaalsContact O-CG 3.25Å; E466-K470 WeakPolarHBondContact O-CG 3.46Å; E466-K470 PolarHBondContact O-N 2.98Å; R467-K470 PolarHBondContact O-N 3.39Å; V468-K470 PolarHBondContact O-N 3.26Å; K470-N472 VanDerWaalsContact C-N 3.29Å
471	M	90.2	Very high	93.8	Very high	80 Å²	80	57 Å²	57	39%	0.394	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4	175.1	-66.2	-176.1	-71.9	0	0	113.2	N409 R467 V468 N469 S473 L478	N409-M471 HydrophobicContact CB-CE 4.42Å; R467-M471 WeakPolarHBondContact O-CE 3.17Å; R467-M471 WeakPolarHBondContact O-CG 3.29Å; R467-M471 PolarHBondContact O-N 3.03Å; V468-M471 PolarHBondContact O-N 3.35Å; V468-M471 VanDerWaalsContact O-N 3.13Å; N469-M471 PolarHBondContact O-N 2.65Å; M471-S473 PolarHBondContact O-N 2.84Å; M471-L478 HydrophobicContact CE-CD1 4.11Å; M471-L478 HydrophobicContact CE-CD2 3.62Å
472	N	90.2	Very high	93.7	Very high	159 Å²	159	56.7 Å²	56.7	85%	0.85	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.2	-171.2	-63.7	-43.9	0	0	0	113.1	N469 K470	N469-N472 PolarHBondContact O-N 2.81Å; K470-N472 VanDerWaalsContact C-N 3.29Å
473	S	91.1	Very high	93.6	Very high	33 Å²	33	51.5 Å²	51.5	23%	0.231	28%	0.284	C	S	.	.			trans	-108.8	169.8	-178.3	-157.1	0	0	0	0	110.4	V468 M471 T477	V468-S473 WeakPolarHBondContact CG1-O 3.46Å; V468-S473 PolarHBondContact O-N 2.98Å; M471-S473 PolarHBondContact O-N 2.84Å; S473-T477 PolarHBondContact OG-OG1 3Å
474	T	90.4	Very high	93.4	Very high	81 Å²	81	51.6 Å²	51.6	50%	0.497	29%	0.286	S	S	.	.			trans	-109.8	162.3	166.9	64	0	0	0	0	110.4	S476 T477 L478	T474-S476 VanDerWaalsContact C-N 3.29Å; T474-S476 PolarHBondContact O-N 3.04Å; T474-T477 WeakPolarHBondContact CA-OG1 3.48Å; T474-T477 PolarHBondContact N-OG1 2.74Å; T474-T477 PolarHBondContact O-N 2.74Å; T474-T477 PolarHBondContact O-OG1 2.82Å; T474-T477 WeakPolarHBondContact OG1-CG2 3.48Å; T474-T477 PolarHBondContact OG1-N 2.91Å; T474-T477 PolarHBondContact OG1-OG1 2.84Å; T474-L478 PolarHBondContact O-N 2.78Å
475	M	91.1	Very high	93.4	Very high	34 Å²	34	51.9 Å²	51.9	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-45.4	176.1	-67.6	-64.1	166.3	0	0	111.5	M325 L339 L464 N465 V468 T477 L478 F479	M325-M475 HydrophobicContact SD-CB 4.15Å; L339-M475 HydrophobicContact CD2-SD 3.98Å; L464-M475 HydrophobicContact CG-CE 4.17Å; N465-M475 VanDerWaalsContact CA-CE 3.45Å; N465-M475 HydrophobicContact CB-CE 3.94Å; V468-M475 HydrophobicContact CB-CE 3.76Å; V468-M475 HydrophobicContact CB-SD 4.29Å; V468-M475 HydrophobicContact CG1-CE 4.16Å; V468-M475 HydrophobicContact CG1-SD 4.3Å; V468-M475 HydrophobicContact CG2-CE 3.48Å; V468-M475 VanDerWaalsContact CG2-CE 3.48Å; V468-M475 HydrophobicContact CG2-SD 3.62Å; M475-T477 PolarHBondContact O-N 2.9Å; M475-L478 PolarHBondContact O-N 2.92Å; M475-F479 WeakPolarHBondContact O-CD2 3.32Å; M475-F479 PolarHBondContact O-N 3.04Å; M475-F479 HydrophobicContact SD-CD2 4Å; M475-F479 HydrophobicContact SD-CE2 3.67Å
476	S	87.7	Confident	93.5	Very high	85 Å²	85	48.7 Å²	48.7	59%	0.594	27%	0.27	S	S	*	.	H	α-helix	trans	-68.9	-17.7	-178.8	-46.1	0	0	0	0	114.7	T474	T474-S476 VanDerWaalsContact C-N 3.29Å; T474-S476 PolarHBondContact O-N 3.04Å
477	T	89.7	Confident	93.5	Very high	100 Å²	100	44.9 Å²	44.9	61%	0.613	25%	0.252	S	S	*	.	H	α-helix	trans	-92.2	-31.9	175.5	46.1	0	0	0	0	112	S473 T474 M475	S473-T477 PolarHBondContact OG-OG1 3Å; T474-T477 WeakPolarHBondContact CA-OG1 3.48Å; T474-T477 PolarHBondContact N-OG1 2.74Å; T474-T477 PolarHBondContact O-N 2.74Å; T474-T477 PolarHBondContact O-OG1 2.82Å; T474-T477 WeakPolarHBondContact OG1-CG2 3.48Å; T474-T477 PolarHBondContact OG1-N 2.91Å; T474-T477 PolarHBondContact OG1-OG1 2.84Å; M475-T477 PolarHBondContact O-N 2.9Å
478	L	92.3	Very high	93.6	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-81	-39.5	179.5	-175.1	67.9	0	0	0	112.6	V468 M471 T474 M475	V468-L478 HydrophobicContact CG2-CD2 3.47Å; V468-L478 VanDerWaalsContact CG2-CD2 3.47Å; M471-L478 HydrophobicContact CE-CD1 4.11Å; M471-L478 HydrophobicContact CE-CD2 3.62Å; T474-L478 PolarHBondContact O-N 2.78Å; M475-L478 PolarHBondContact O-N 2.92Å
479	F	96.3	Very high	93.7	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-102.3	138.5	-175.7	-65.2	-68.9	0	0	0	111.8	E323 M325 L339 N408 L464 V468 M475	E323-F479 HydrophobicContact CB-CD1 3.55Å; E323-F479 HydrophobicContact CB-CE1 3.42Å; E323-F479 VanDerWaalsContact CB-CE1 3.42Å; E323-F479 HydrophobicContact CB-CG 4.48Å; E323-F479 HydrophobicContact CB-CZ 4.25Å; E323-F479 HydrophobicContact CG-CE1 4.3Å; E323-F479 WeakPolarHBondContact O-CD1 3.41Å; E323-F479 WeakPolarHBondContact OE2-CE1 3.3Å; M325-F479 HydrophobicContact CG-CB 4.49Å; L339-F479 HydrophobicContact CD1-CB 4.36Å; L339-F479 HydrophobicContact CD1-CD2 3.71Å; L339-F479 HydrophobicContact CD1-CE2 4.13Å; L339-F479 HydrophobicContact CD1-CG 3.98Å; L339-F479 HydrophobicContact CD2-CE2 4.5Å; N408-F479 HydrophobicContact CB-CZ 4.38Å; L464-F479 HydrophobicContact CD1-CE2 4.1Å; L464-F479 HydrophobicContact CD1-CZ 3.7Å; L464-F479 HydrophobicContact CD2-CE2 4.1Å; L464-F479 HydrophobicContact CD2-CZ 4.07Å; L464-F479 HydrophobicContact CG-CE2 4.42Å; L464-F479 HydrophobicContact CG-CZ 4.39Å; V468-F479 HydrophobicContact CG2-CE2 4.38Å; M475-F479 WeakPolarHBondContact O-CD2 3.32Å; M475-F479 PolarHBondContact O-N 3.04Å; M475-F479 HydrophobicContact SD-CD2 4Å; M475-F479 HydrophobicContact SD-CE2 3.67Å
480	P	96.8	Very high	93.8	Very high	28 Å²	28	40.5 Å²	40.5	18%	0.182	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.6	154.6	178.3	29.6	-36.2	0	0	0	111.4	T122 Y123 A321 E323 F324 M325	T122-P480 HydrophobicContact CG2-CB 3.79Å; Y123-P480 HydrophobicContact CD2-CB 3.84Å; Y123-P480 HydrophobicContact CD2-CG 4.16Å; Y123-P480 HydrophobicContact CE2-CB 3.59Å; Y123-P480 HydrophobicContact CE2-CG 3.75Å; A321-P480 HydrophobicContact CB-CG 4.11Å; E323-P480 WeakPolarHBondContact O-CD 3.35Å; F324-P480 CarbonylContact C-O 3.51Å; F324-P480 VanDerWaalsContact CA-O 3.24Å; F324-P480 WeakPolarHBondContact CA-O 3.26Å; F324-P480 HydrophobicContact CB-CG 4.19Å; F324-P480 VanDerWaalsContact CB-O 3.22Å; F324-P480 WeakPolarHBondContact CB-O 3.33Å; M325-P480 PolarHBondContact N-O 3.25Å
481	S	95.8	Very high	93.8	Very high	29 Å²	29	34 Å²	34	20%	0.203	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.2	170.8	57	0	0	0	0	111.1	T121 T122 Y123 M325	T121-S481 VanDerWaalsContact CA-OG 3.31Å; T121-S481 WeakPolarHBondContact CA-OG 3.35Å; T122-S481 WeakPolarHBondContact CB-O 3.25Å; T122-S481 PolarHBondContact N-O 3.06Å; T122-S481 PolarHBondContact N-OG 2.85Å; T122-S481 PolarHBondContact OG1-N 2.76Å; T122-S481 PolarHBondContact OG1-OG 2.9Å; Y123-S481 PolarHBondContact N-O 2.93Å; M325-S481 WeakPolarHBondContact O-CA 3.44Å
482	L	96.8	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.5	175.8	-175.3	149.7	0	0	0	110.1	Y123 M125 L316 F324 M325 H327 F486	Y123-L482 CarbonylContact O-C 3.6Å; Y123-L482 VanDerWaalsContact O-CA 3.28Å; Y123-L482 WeakPolarHBondContact O-CA 3.18Å; M125-L482 HydrophobicContact CG-CD2 4.15Å; M125-L482 HydrophobicContact SD-CD1 4.18Å; M125-L482 HydrophobicContact SD-CD2 4.41Å; L316-L482 HydrophobicContact CD1-CD1 4.18Å; L316-L482 HydrophobicContact CD2-CD1 4.44Å; F324-L482 HydrophobicContact CB-CB 4.22Å; F324-L482 HydrophobicContact CD1-CD1 4.33Å; F324-L482 HydrophobicContact CD2-CB 3.45Å; F324-L482 VanDerWaalsContact CD2-CB 3.45Å; F324-L482 HydrophobicContact CD2-CD1 4.16Å; F324-L482 HydrophobicContact CD2-CD2 4.36Å; F324-L482 HydrophobicContact CD2-CG 4.19Å; F324-L482 HydrophobicContact CE1-CD1 4.26Å; F324-L482 HydrophobicContact CE2-CB 3.93Å; F324-L482 HydrophobicContact CE2-CD1 4.06Å; F324-L482 HydrophobicContact CE2-CD2 3.94Å; F324-L482 HydrophobicContact CE2-CG 4.2Å; F324-L482 HydrophobicContact CG-CB 3.9Å; F324-L482 HydrophobicContact CG-CD1 4.28Å; F324-L482 HydrophobicContact CZ-CD1 4.11Å; F324-L482 HydrophobicContact CZ-CD2 4.49Å; M325-L482 PolarHBondContact O-N 3.48Å; H327-L482 PolarHBondContact N-O 3.14Å; L482-F486 HydrophobicContact CD1-CE1 4.45Å; L482-F486 HydrophobicContact CD1-CZ 4.03Å; L482-F486 HydrophobicContact CD2-CE2 4.33Å; L482-F486 HydrophobicContact CD2-CZ 3.82Å
483	S	94.8	Very high	93.9	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.8	173.7	58.5	0	0	0	0	112	T121 Y123 M125	T121-S483 PolarHBondContact OG1-OG 3.05Å; Y123-S483 PolarHBondContact O-N 2.92Å; M125-S483 PolarHBondContact N-O 2.92Å
484	G	94.3	Very high	93.9	Very high	10 Å²	10	34.5 Å²	34.5	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	115.4	-171.8	-174.3	0	0	0	0	0	111.3	W326	W326-G484 PolarHBondContact NE1-O 2.85Å
485	D	96.6	Very high	94.1	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.032	17%	0.167	C	C	.	.			trans	-124.2	178.1	176.8	66.1	32.3	0	0	0	111.3	Q287 F487 R951	Q287-D485 WeakPolarHBondContact O-CB 3.49Å; D485-F487 HydrophobicContact CB-CD2 4.39Å; D485-F487 PolarHBondContact OD1-N 2.86Å; D485-R951 VanDerWaalsContact CG-NH1 3.35Å; D485-R951 IonicContact OD1-CZ 2.78Å; D485-R951 IonicContact OD1-NH1 3.99Å; D485-R951 PolarHBondContact OD1-NH1 3.25Å; D485-R951 IonicContact OD1-NH2 2.92Å; D485-R951 IonicContact OD2-CZ 2.8Å; D485-R951 VanDerWaalsContact OD2-CZ 3.31Å; D485-R951 IonicContact OD2-NH1 3.65Å; D485-R951 PolarHBondContact OD2-NH1 3.27Å; D485-R951 IonicContact OD2-NH2 3.56Å; D485-R951 PolarHBondContact OD2-NH2 3.26Å
486	F	97.5	Very high	94.4	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.159	C	C	.	.			trans	-114.2	34.1	-175	-60.7	-76.1	0	0	0	112.5	M125 Q287 I305 V308 V312 F324 W326 M342 L482	M125-F486 HydrophobicContact CE-CD1 3.98Å; M125-F486 HydrophobicContact CE-CE1 4.04Å; M125-F486 HydrophobicContact SD-CD1 4.24Å; M125-F486 HydrophobicContact SD-CE1 3.73Å; M125-F486 HydrophobicContact SD-CZ 4.46Å; Q287-F486 HydrophobicContact CB-CB 4.13Å; Q287-F486 HydrophobicContact CB-CD2 3.78Å; Q287-F486 HydrophobicContact CB-CG 4.4Å; Q287-F486 PolarHBondContact O-N 3.25Å; I305-F486 HydrophobicContact CD1-CD2 4.38Å; I305-F486 HydrophobicContact CD1-CE2 3.94Å; V308-F486 HydrophobicContact CB-CD1 4.41Å; V308-F486 HydrophobicContact CG1-CB 4.18Å; V308-F486 HydrophobicContact CG1-CD1 3.44Å; V308-F486 VanDerWaalsContact CG1-CD1 3.44Å; V308-F486 HydrophobicContact CG1-CE1 4.01Å; V308-F486 HydrophobicContact CG1-CG 3.97Å; V308-F486 HydrophobicContact CG2-CB 3.99Å; V308-F486 HydrophobicContact CG2-CD1 4.11Å; V308-F486 HydrophobicContact CG2-CD2 4.24Å; V308-F486 HydrophobicContact CG2-CG 3.85Å; V312-F486 HydrophobicContact CG1-CD1 4.04Å; V312-F486 HydrophobicContact CG1-CE1 3.9Å; F324-F486 HydrophobicContact CE2-CZ 4.45Å; F324-F486 HydrophobicContact CZ-CE2 4.2Å; F324-F486 AromaticContact CZ-CZ 3.84Å; F324-F486 HydrophobicContact CZ-CZ 3.84Å; W326-F486 AromaticContact CH2-CD2 3.78Å; W326-F486 HydrophobicContact CH2-CD2 3.78Å; W326-F486 AromaticContact CH2-CE2 3.78Å; W326-F486 HydrophobicContact CH2-CE2 3.78Å; W326-F486 AromaticContact CZ2-CD2 3.75Å; W326-F486 HydrophobicContact CZ2-CD2 3.75Å; W326-F486 AromaticContact CZ2-CE2 3.61Å; W326-F486 HydrophobicContact CZ2-CE2 3.61Å; W326-F486 HydrophobicContact CZ3-CE2 4.3Å; M342-F486 HydrophobicContact CE-CD1 4.38Å; M342-F486 HydrophobicContact CE-CE1 3.61Å; M342-F486 HydrophobicContact CE-CE2 4.15Å; M342-F486 HydrophobicContact CE-CZ 3.46Å; M342-F486 VanDerWaalsContact CE-CZ 3.46Å; L482-F486 HydrophobicContact CD1-CE1 4.45Å; L482-F486 HydrophobicContact CD1-CZ 4.03Å; L482-F486 HydrophobicContact CD2-CE2 4.33Å; L482-F486 HydrophobicContact CD2-CZ 3.82Å
487	F	97.5	Very high	94.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.018	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-99.7	144.8	171.1	-65.4	-64	0	0	0	111.3	Y129 E249 A250 G286 D485 Y964 P965	Y129-F487 PolarHBondContact OH-O 3.36Å; Y129-F487 VanDerWaalsContact OH-O 3.08Å; E249-F487 HydrophobicContact CB-CZ 4.3Å; A250-F487 HydrophobicContact CB-CE1 3.72Å; A250-F487 HydrophobicContact CB-CE2 4.44Å; A250-F487 HydrophobicContact CB-CZ 3.63Å; G286-F487 VanDerWaalsContact CA-CE1 3.49Å; D485-F487 HydrophobicContact CB-CD2 4.39Å; D485-F487 PolarHBondContact OD1-N 2.86Å; F487-Y964 HydrophobicContact CB-CD1 4.43Å; F487-Y964 WeakPolarHBondContact O-CE1 3.18Å; F487-P965 HydrophobicContact CD1-CG 4.38Å; F487-P965 HydrophobicContact CD2-CG 4.14Å; F487-P965 HydrophobicContact CE2-CG 4.42Å; F487-P965 HydrophobicContact CG-CG 4.12Å
488	T	97	Very high	95.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.103	C	C	.	.	S	Bend	cis	-91.1	133.9	-0.7	-58	0	0	0	0	111	Y496 Y501 V963	T488-Y496 HydrophobicContact CG2-CD1 3.93Å; T488-Y496 HydrophobicContact CG2-CG 4.45Å; T488-Y501 HydrophobicContact CG2-CE2 4.44Å; T488-V963 PolarHBondContact OG1-O 3.06Å
489	Y	95.4	Very high	95.4	Very high	3 Å²	3	19 Å²	19	1%	0.012	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-72.7	140.5	-177.7	170.3	-121.3	0	0	0	111.7	F285 R307 D491 Y496 W497	F285-Y489 HydrophobicContact CB-CD1 4.47Å; R307-Y489 HydrophobicContact CB-CD1 4.4Å; R307-Y489 HydrophobicContact CB-CD2 4.37Å; R307-Y489 HydrophobicContact CB-CE1 4.03Å; R307-Y489 HydrophobicContact CB-CE2 4.01Å; R307-Y489 HydrophobicContact CG-CE1 4.22Å; Y489-D491 HydrophobicContact CE1-CB 4.4Å; Y489-D491 WeakPolarHBondContact OH-CB 3.45Å; Y489-Y496 WeakPolarHBondContact O-CA 3.33Å; Y489-W497 HydrophobicContact CD1-CB 3.85Å; Y489-W497 AromaticContact CD1-CD1 3.86Å; Y489-W497 AromaticContact CD1-CD2 3.87Å; Y489-W497 HydrophobicContact CD1-CD2 3.87Å; Y489-W497 HydrophobicContact CD1-CE3 4.39Å; Y489-W497 AromaticContact CD1-CG 3.59Å; Y489-W497 HydrophobicContact CD1-CG 3.59Å; Y489-W497 AromaticContact CE1-CD1 3.95Å; Y489-W497 AromaticContact CE1-CD2 3.76Å; Y489-W497 HydrophobicContact CE1-CD2 3.76Å; Y489-W497 AromaticContact CE1-CE2 3.81Å; Y489-W497 HydrophobicContact CE1-CE3 4.27Å; Y489-W497 AromaticContact CE1-CG 3.9Å; Y489-W497 HydrophobicContact CE1-CG 3.9Å; Y489-W497 HydrophobicContact CE1-CZ2 4.37Å; Y489-W497 AromaticContact CE1-NE1 3.92Å; Y489-W497 PolarHBondContact O-N 3.42Å
490	A	96	Very high	95.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-138.9	135.5	166.2	0	0	0	0	0	109.4	Y310 Y496	Y310-A490 WeakPolarHBondContact CD1-O 3.29Å; Y310-A490 HydrophobicContact CE1-CB 4.34Å; A490-Y496 HydrophobicContact CB-CD1 3.82Å; A490-Y496 HydrophobicContact CB-CE1 4.04Å; A490-Y496 HydrophobicContact CB-CG 4.14Å
491	D	93.1	Very high	95.5	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.043	8%	0.083	C	C	.	.	S	Bend	trans	-89.2	-28.5	179.2	62.7	-24	0	0	0	112.3	Q144 F346 Y489 W497 R1023	Q144-D491 PolarHBondContact NE2-O 3.31Å; F346-D491 HydrophobicContact CE2-CB 3.84Å; F346-D491 WeakPolarHBondContact CE2-O 3.36Å; F346-D491 HydrophobicContact CZ-CB 4.25Å; Y489-D491 HydrophobicContact CE1-CB 4.4Å; Y489-D491 WeakPolarHBondContact OH-CB 3.45Å; D491-W497 VanDerWaalsContact CG-NE1 3.29Å; D491-W497 PolarHBondContact OD1-NE1 2.91Å; D491-W497 VanDerWaalsContact OD1-NE1 3.1Å; D491-R1023 IonicContact OD1-NH2 3.08Å; D491-R1023 PolarHBondContact OD1-NH2 2.72Å; D491-R1023 IonicContact OD2-CZ 2.73Å; D491-R1023 IonicContact OD2-NE 2.65Å; D491-R1023 PolarHBondContact OD2-NE 2.61Å; D491-R1023 IonicContact OD2-NH2 2.87Å
492	R	91.4	Very high	95.5	Very high	100 Å²	100	16 Å²	16	38%	0.377	7%	0.074	S	C	.	.	S	Bend	trans	-159.7	160.4	176.8	65.6	-171.3	-171	-167.4	2.4	111.8	H494 D495	R492-H494 PolarHBondContact O-N 2.74Å; R492-D495 HydrophobicContact CG-CB 4.29Å; R492-D495 IonicContact CZ-OD2 3.68Å; R492-D495 IonicContact NE-OD2 2.64Å; R492-D495 PolarHBondContact NE-OD2 2.8Å; R492-D495 IonicContact NH2-OD2 2.68Å; R492-D495 PolarHBondContact O-N 2.81Å
493	Q	89.9	Confident	95.4	Very high	106 Å²	106	16 Å²	16	50%	0.495	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	-122.4	175.1	-60.9	-176.4	-18.2	0	0	111.9	D136 Y310	D136-Q493 HydrophobicContact CB-CG 4.49Å; D136-Q493 WeakPolarHBondContact OD2-CG 3.5Å; D136-Q493 PolarHBondContact OD2-N 2.81Å; Y310-Q493 PolarHBondContact OH-O 2.83Å
494	H	91.8	Very high	95.3	Very high	78 Å²	78	16.2 Å²	16.2	36%	0.361	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	30.1	171.6	-59.3	-46.4	0	0	0	111.7	R492 Y496 P958 Q960	R492-H494 PolarHBondContact O-N 2.74Å; H494-Y496 HydrophobicContact CB-CD2 4.28Å; H494-Y496 HydrophobicContact CB-CE2 4.03Å; H494-Y496 WeakPolarHBondContact O-CD2 3.37Å; H494-Y496 PolarHBondContact O-N 3.08Å; H494-P958 HydrophobicContact CB-CG 3.77Å; H494-Q960 PolarHBondContact O-NE2 3.36Å
495	D	94.2	Very high	95.2	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	7%	0.069	C	C	.	.			trans	-79.5	72	174.9	-69.8	-4.7	0	0	0	108.4	R492 W497 S849 L855 R1023	R492-D495 HydrophobicContact CG-CB 4.29Å; R492-D495 IonicContact CZ-OD2 3.68Å; R492-D495 IonicContact NE-OD2 2.64Å; R492-D495 PolarHBondContact NE-OD2 2.8Å; R492-D495 IonicContact NH2-OD2 2.68Å; R492-D495 PolarHBondContact O-N 2.81Å; D495-W497 VanDerWaalsContact O-CD1 3.27Å; D495-S849 WeakPolarHBondContact OD1-CB 3.4Å; D495-S849 PolarHBondContact OD1-OG 3.29Å; D495-S849 PolarHBondContact OD2-OG 3.13Å; D495-L855 HydrophobicContact CB-CD1 4.04Å; D495-L855 HydrophobicContact CB-CD2 4.27Å; D495-R1023 IonicContact OD2-CZ 2.72Å; D495-R1023 IonicContact OD2-NH1 3.73Å; D495-R1023 IonicContact OD2-NH2 3.58Å; D495-R1023 PolarHBondContact OD2-NH2 2.8Å
496	Y	96.8	Very high	95	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.012	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-74.8	131.3	179.4	-70.5	-91.8	0	0	0	111.1	H309 T488 Y489 A490 H494 S498 P958 Q960 G961	H309-Y496 AromaticContact CD2-CE1 3.8Å; H309-Y496 AromaticContact NE2-CE1 3.66Å; H309-Y496 AromaticContact NE2-CZ 3.87Å; T488-Y496 HydrophobicContact CG2-CD1 3.93Å; T488-Y496 HydrophobicContact CG2-CG 4.45Å; Y489-Y496 WeakPolarHBondContact O-CA 3.33Å; A490-Y496 HydrophobicContact CB-CD1 3.82Å; A490-Y496 HydrophobicContact CB-CE1 4.04Å; A490-Y496 HydrophobicContact CB-CG 4.14Å; H494-Y496 HydrophobicContact CB-CD2 4.28Å; H494-Y496 HydrophobicContact CB-CE2 4.03Å; H494-Y496 WeakPolarHBondContact O-CD2 3.37Å; H494-Y496 PolarHBondContact O-N 3.08Å; Y496-S498 PolarHBondContact O-N 2.84Å; Y496-P958 HydrophobicContact CD2-CG 4.37Å; Y496-P958 HydrophobicContact CE2-CG 3.89Å; Y496-Q960 HydrophobicContact CD2-CG 3.57Å; Y496-Q960 HydrophobicContact CG-CG 4.05Å; Y496-G961 VanDerWaalsContact CD1-CA 3.42Å
497	W	97.5	Very high	94.9	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.027	7%	0.068	C	C	.	.	S	Bend	trans	-83	62.6	177.9	-67.6	52.2	0	0	0	109.1	F285 Y489 D491 D495 Y500 Y854 L855 R1023	F285-W497 HydrophobicContact CB-CE3 3.93Å; F285-W497 AromaticContact CD1-CE3 3.68Å; F285-W497 HydrophobicContact CD1-CE3 3.68Å; F285-W497 AromaticContact CD1-CZ3 3.48Å; F285-W497 HydrophobicContact CD1-CZ3 3.48Å; F285-W497 VanDerWaalsContact CD1-CZ3 3.48Å; F285-W497 HydrophobicContact CD2-CE3 4.18Å; F285-W497 HydrophobicContact CD2-CZ3 4.43Å; F285-W497 HydrophobicContact CE1-CE3 4.31Å; F285-W497 AromaticContact CE1-CZ3 3.71Å; F285-W497 HydrophobicContact CE1-CZ3 3.71Å; F285-W497 AromaticContact CG-CE3 3.64Å; F285-W497 HydrophobicContact CG-CE3 3.64Å; F285-W497 AromaticContact CG-CZ3 3.91Å; F285-W497 HydrophobicContact CG-CZ3 3.91Å; F285-W497 HydrophobicContact CZ-CZ3 4.29Å; Y489-W497 HydrophobicContact CD1-CB 3.85Å; Y489-W497 AromaticContact CD1-CD1 3.86Å; Y489-W497 AromaticContact CD1-CD2 3.87Å; Y489-W497 HydrophobicContact CD1-CD2 3.87Å; Y489-W497 HydrophobicContact CD1-CE3 4.39Å; Y489-W497 AromaticContact CD1-CG 3.59Å; Y489-W497 HydrophobicContact CD1-CG 3.59Å; Y489-W497 AromaticContact CE1-CD1 3.95Å; Y489-W497 AromaticContact CE1-CD2 3.76Å; Y489-W497 HydrophobicContact CE1-CD2 3.76Å; Y489-W497 AromaticContact CE1-CE2 3.81Å; Y489-W497 HydrophobicContact CE1-CE3 4.27Å; Y489-W497 AromaticContact CE1-CG 3.9Å; Y489-W497 HydrophobicContact CE1-CG 3.9Å; Y489-W497 HydrophobicContact CE1-CZ2 4.37Å; Y489-W497 AromaticContact CE1-NE1 3.92Å; Y489-W497 PolarHBondContact O-N 3.42Å; D491-W497 VanDerWaalsContact CG-NE1 3.29Å; D491-W497 PolarHBondContact OD1-NE1 2.91Å; D491-W497 VanDerWaalsContact OD1-NE1 3.1Å; D495-W497 VanDerWaalsContact O-CD1 3.27Å; W497-Y500 HydrophobicContact CB-CD1 4.44Å; W497-Y500 HydrophobicContact CB-CE1 4.24Å; W497-Y500 WeakPolarHBondContact O-CD1 3.04Å; W497-Y500 WeakPolarHBondContact O-CE1 3.44Å; W497-Y854 AromaticContact CE3-CD1 3.51Å; W497-Y854 HydrophobicContact CE3-CD1 3.51Å; W497-Y854 HydrophobicContact CE3-CE1 4.34Å; W497-Y854 HydrophobicContact CE3-CG 4.08Å; W497-Y854 HydrophobicContact CH2-CD1 4.04Å; W497-Y854 HydrophobicContact CH2-CE1 4.34Å; W497-Y854 HydrophobicContact CH2-CG 4.44Å; W497-Y854 AromaticContact CZ3-CD1 3.2Å; W497-Y854 HydrophobicContact CZ3-CD1 3.2Å; W497-Y854 AromaticContact CZ3-CE1 3.63Å; W497-Y854 HydrophobicContact CZ3-CE1 3.63Å; W497-Y854 AromaticContact CZ3-CG 3.91Å; W497-Y854 HydrophobicContact CZ3-CG 3.91Å; W497-L855 HydrophobicContact CG-CD2 4.09Å; W497-R1023 HydrophobicContact CH2-CB 4.43Å; W497-R1023 HydrophobicContact CZ2-CG 4.16Å
498	S	97.6	Very high	94.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.067	C	C	.	.			trans	-111.1	-8.6	177.7	64.8	0	0	0	0	112.9	Y496 Y500 Y501 F856 Q960 W1012	Y496-S498 PolarHBondContact O-N 2.84Å; S498-Y500 VanDerWaalsContact C-N 3.34Å; S498-Y501 WeakPolarHBondContact O-CB 3.46Å; S498-Y501 VanDerWaalsContact O-CD2 3.28Å; S498-Y501 WeakPolarHBondContact O-CD2 3.34Å; S498-Y501 VanDerWaalsContact O-CG 3.29Å; S498-Y501 PolarHBondContact O-N 3.13Å; S498-F856 WeakPolarHBondContact OG-CB 3.08Å; S498-Q960 PolarHBondContact OG-O 3.39Å; S498-W1012 WeakPolarHBondContact O-CZ3 3.48Å
499	G	96.8	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-66.9	-37.8	-178.1	0	0	0	0	0	112.5	Y501 D502 S503 Y854 R1015	G499-Y501 PolarHBondContact O-N 3.43Å; G499-Y501 VanDerWaalsContact O-N 3.11Å; G499-D502 PolarHBondContact O-N 3.31Å; G499-S503 PolarHBondContact O-N 3.37Å; G499-S503 PolarHBondContact O-OG 3.5Å; G499-Y854 VanDerWaalsContact CA-O 3.3Å; G499-Y854 WeakPolarHBondContact CA-O 3.41Å; G499-Y854 PolarHBondContact N-O 2.85Å; G499-R1015 WeakPolarHBondContact O-CD 3.48Å; G499-R1015 PolarHBondContact O-NH1 3.02Å
500	Y	96.8	Very high	94.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13	-179.5	79.9	-98.3	0	0	0	113.4	A250 F285 W497 S498 D502 S503 K508 T569 Y854	A250-Y500 HydrophobicContact CB-CE2 3.83Å; A250-Y500 WeakPolarHBondContact CB-OH 2.98Å; F285-Y500 HydrophobicContact CB-CD1 4.36Å; F285-Y500 HydrophobicContact CB-CE1 3.5Å; F285-Y500 AromaticContact CD2-CD1 3.92Å; F285-Y500 HydrophobicContact CD2-CD1 3.92Å; F285-Y500 HydrophobicContact CD2-CD2 4.45Å; F285-Y500 AromaticContact CD2-CE1 3.79Å; F285-Y500 HydrophobicContact CD2-CE1 3.79Å; F285-Y500 HydrophobicContact CD2-CE2 4.31Å; F285-Y500 HydrophobicContact CD2-CG 4.24Å; F285-Y500 AromaticContact CD2-CZ 3.98Å; F285-Y500 HydrophobicContact CG-CE1 4.12Å; F285-Y500 PolarHBondContact O-OH 2.75Å; F285-Y500 VanDerWaalsContact O-OH 3.1Å; W497-Y500 HydrophobicContact CB-CD1 4.44Å; W497-Y500 HydrophobicContact CB-CE1 4.24Å; W497-Y500 WeakPolarHBondContact O-CD1 3.04Å; W497-Y500 WeakPolarHBondContact O-CE1 3.44Å; S498-Y500 VanDerWaalsContact C-N 3.34Å; Y500-D502 PolarHBondContact O-N 3.03Å; Y500-S503 PolarHBondContact O-N 3.46Å; Y500-K508 PolarHBondContact O-NZ 3.2Å; Y500-T569 VanDerWaalsContact CD2-CB 3.47Å; Y500-T569 HydrophobicContact CD2-CG2 3.33Å; Y500-T569 HydrophobicContact CE2-CG2 3.49Å; Y500-T569 VanDerWaalsContact CE2-CG2 3.49Å; Y500-T569 HydrophobicContact CG-CG2 4.23Å; Y500-Y854 PolarHBondContact N-O 3.32Å
501	Y	98.2	Very high	94.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.7	175.3	-61	-17.7	0	0	0	111.7	A250 V251 T488 S498 G499 K508 V963 P965 T999	A250-Y501 HydrophobicContact CB-CD1 4.27Å; A250-Y501 HydrophobicContact CB-CE1 3.87Å; V251-Y501 HydrophobicContact CG1-CD1 4.48Å; T488-Y501 HydrophobicContact CG2-CE2 4.44Å; S498-Y501 WeakPolarHBondContact O-CB 3.46Å; S498-Y501 VanDerWaalsContact O-CD2 3.28Å; S498-Y501 WeakPolarHBondContact O-CD2 3.34Å; S498-Y501 VanDerWaalsContact O-CG 3.29Å; S498-Y501 PolarHBondContact O-N 3.13Å; G499-Y501 PolarHBondContact O-N 3.43Å; G499-Y501 VanDerWaalsContact O-N 3.11Å; Y501-K508 PolarHBondContact O-NZ 2.73Å; Y501-V963 HydrophobicContact CD2-CG1 4.03Å; Y501-V963 HydrophobicContact CE2-CG1 4.45Å; Y501-P965 HydrophobicContact CD1-CB 3.88Å; Y501-P965 HydrophobicContact CD2-CB 4.22Å; Y501-P965 HydrophobicContact CE1-CB 3.82Å; Y501-P965 HydrophobicContact CE1-CG 4.06Å; Y501-P965 HydrophobicContact CE2-CB 4.16Å; Y501-P965 HydrophobicContact CE2-CG 4.3Å; Y501-P965 HydrophobicContact CG-CB 4.1Å; Y501-T999 WeakPolarHBondContact O-CA 3.49Å
502	D	95.1	Very high	94.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	2	-179.4	-160.4	65.5	0	0	0	114.3	G499 Y500 P505 T999 W1012 D1014	G499-D502 PolarHBondContact O-N 3.31Å; Y500-D502 PolarHBondContact O-N 3.03Å; D502-P505 WeakPolarHBondContact O-CD 3.47Å; D502-T999 PolarHBondContact OD1-OG1 2.9Å; D502-W1012 HydrophobicContact CB-CB 3.98Å; D502-W1012 HydrophobicContact CB-CD2 3.61Å; D502-W1012 HydrophobicContact CB-CE3 4.09Å; D502-W1012 HydrophobicContact CB-CG 3.55Å; D502-W1012 VanDerWaalsContact CG-CD1 3.49Å; D502-W1012 PolarHBondContact OD2-NE1 2.84Å; D502-D1014 WeakPolarHBondContact OD2-CA 3.29Å; D502-D1014 PolarHBondContact OD2-N 3.37Å
503	S	93.9	Very high	95.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-61.4	139.1	171.4	-64.9	0	0	0	0	111.3	G499 Y500 K508 T569 A853 R1015	G499-S503 PolarHBondContact O-N 3.37Å; G499-S503 PolarHBondContact O-OG 3.5Å; Y500-S503 PolarHBondContact O-N 3.46Å; S503-K508 WeakPolarHBondContact O-CE 3.24Å; S503-K508 PolarHBondContact O-NZ 2.9Å; S503-T569 WeakPolarHBondContact CB-O 3.44Å; S503-A853 PolarHBondContact OG-O 3.43Å; S503-R1015 PolarHBondContact OG-NH1 3.46Å
504	Y	93.2	Very high	95.5	Very high	10 Å²	10	8.1 Å²	8.1	4%	0.039	4%	0.037	C	C	.	.	S	Bend	trans	49.8	54.5	179.2	-69.2	-94.5	0	0	0	115.3	Y506 Q507 K508 G570 M577 L1029 W1033	Y504-Y506 PolarHBondContact O-N 2.85Å; Y504-Q507 PolarHBondContact O-N 3.32Å; Y504-Q507 PolarHBondContact O-OE1 3.18Å; Y504-K508 PolarHBondContact O-N 2.86Å; Y504-G570 WeakPolarHBondContact CD2-O 3.5Å; Y504-G570 WeakPolarHBondContact CE2-O 3.35Å; Y504-M577 HydrophobicContact CD1-CB 4.09Å; Y504-M577 HydrophobicContact CD1-CE 3.82Å; Y504-M577 HydrophobicContact CD1-CG 4.09Å; Y504-M577 HydrophobicContact CD2-CE 4.28Å; Y504-M577 HydrophobicContact CD2-CG 4.4Å; Y504-M577 HydrophobicContact CE1-CB 3.59Å; Y504-M577 HydrophobicContact CE1-CE 4.39Å; Y504-M577 HydrophobicContact CE1-CG 3.67Å; Y504-M577 HydrophobicContact CE2-CG 4.02Å; Y504-M577 HydrophobicContact CG-CE 3.76Å; Y504-M577 HydrophobicContact CG-CG 4.44Å; Y504-L1029 HydrophobicContact CD2-CD1 3.55Å; Y504-L1029 HydrophobicContact CE2-CD1 3.21Å; Y504-L1029 HydrophobicContact CG-CD1 4.5Å; Y504-W1033 HydrophobicContact CD1-CE3 4.02Å; Y504-W1033 AromaticContact CD1-CH2 3.46Å; Y504-W1033 HydrophobicContact CD1-CH2 3.46Å; Y504-W1033 VanDerWaalsContact CD1-CH2 3.46Å; Y504-W1033 HydrophobicContact CD1-CZ2 4.14Å; Y504-W1033 AromaticContact CD1-CZ3 3.43Å; Y504-W1033 HydrophobicContact CD1-CZ3 3.43Å; Y504-W1033 VanDerWaalsContact CD1-CZ3 3.43Å; Y504-W1033 HydrophobicContact CD2-CH2 4.1Å; Y504-W1033 HydrophobicContact CE1-CE3 4.14Å; Y504-W1033 AromaticContact CE1-CH2 3.39Å; Y504-W1033 HydrophobicContact CE1-CH2 3.39Å; Y504-W1033 HydrophobicContact CE1-CZ2 4.46Å; Y504-W1033 AromaticContact CE1-CZ3 3.21Å; Y504-W1033 HydrophobicContact CE1-CZ3 3.21Å; Y504-W1033 HydrophobicContact CE2-CH2 4.04Å; Y504-W1033 AromaticContact CG-CH2 3.83Å; Y504-W1033 HydrophobicContact CG-CH2 3.83Å; Y504-W1033 HydrophobicContact CG-CZ2 4.19Å; Y504-W1033 HydrophobicContact CG-CZ3 4.26Å; Y504-W1033 AromaticContact CZ-CH2 3.68Å; Y504-W1033 AromaticContact CZ-CZ3 3.89Å
505	P	93.5	Very high	95.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64.4	-26.3	-175.8	30.1	-36.5	0	0	0	113.1	D502 K508 F509 V1035	D502-P505 WeakPolarHBondContact O-CD 3.47Å; P505-K508 PolarHBondContact O-N 3.27Å; P505-F509 WeakPolarHBondContact O-CB 3.25Å; P505-F509 PolarHBondContact O-N 3.4Å; P505-V1035 HydrophobicContact CB-CG1 4.33Å; P505-V1035 HydrophobicContact CB-CG2 4.09Å; P505-V1035 HydrophobicContact CG-CB 4.29Å; P505-V1035 HydrophobicContact CG-CG1 3.87Å; P505-V1035 HydrophobicContact CG-CG2 4.36Å
506	Y	92.5	Very high	96	Very high	4 Å²	4	5.3 Å²	5.3	2%	0.016	3%	0.025	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.1	176.6	-106.2	0	0	0	112.6	Y504 F509 L510 H661 Q664 W1033	Y504-Y506 PolarHBondContact O-N 2.85Å; Y506-F509 WeakPolarHBondContact O-CB 3.42Å; Y506-F509 PolarHBondContact O-N 3.45Å; Y506-L510 HydrophobicContact CD1-CD1 4.11Å; Y506-L510 HydrophobicContact CD1-CG 4.44Å; Y506-L510 HydrophobicContact CE1-CD1 3.42Å; Y506-L510 VanDerWaalsContact CE1-CD1 3.42Å; Y506-L510 HydrophobicContact CE1-CG 3.93Å; Y506-L510 HydrophobicContact CE2-CD2 4.4Å; Y506-L510 HydrophobicContact CE2-CG 4.31Å; Y506-L510 PolarHBondContact O-N 3.17Å; Y506-H661 PolarHBondContact OH-O 2.86Å; Y506-Q664 WeakPolarHBondContact CE2-O 3.26Å; Y506-W1033 HydrophobicContact CG-CB 4.22Å
507	Q	94.4	Very high	96	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-70.3	-35.8	179.2	-70.7	78.2	-2.9	0	0	111.5	Y504 F509 L510 S511 F562 M577 S581	Y504-Q507 PolarHBondContact O-N 3.32Å; Y504-Q507 PolarHBondContact O-OE1 3.18Å; Q507-F509 VanDerWaalsContact C-N 3.33Å; Q507-F509 PolarHBondContact O-N 3.15Å; Q507-L510 WeakPolarHBondContact O-CB 3.49Å; Q507-L510 PolarHBondContact O-N 3.12Å; Q507-S511 PolarHBondContact O-N 3.33Å; Q507-F562 HydrophobicContact CB-CE1 4.25Å; Q507-F562 HydrophobicContact CB-CE2 4.21Å; Q507-F562 HydrophobicContact CB-CZ 3.52Å; Q507-F562 HydrophobicContact CG-CZ 4.48Å; Q507-M577 HydrophobicContact CB-CE 4.28Å; Q507-M577 HydrophobicContact CG-CE 4.07Å; Q507-S581 VanDerWaalsContact CG-OG 3.25Å; Q507-S581 WeakPolarHBondContact CG-OG 3.33Å; Q507-S581 PolarHBondContact NE2-OG 3.38Å
508	K	96.1	Very high	96.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.5	-43.1	170.2	-73.2	165.7	174.3	166.9	0	111.9	Y500 Y501 S503 Y504 P505 S511 R512 I568 P998	Y500-K508 PolarHBondContact O-NZ 3.2Å; Y501-K508 PolarHBondContact O-NZ 2.73Å; S503-K508 WeakPolarHBondContact O-CE 3.24Å; S503-K508 PolarHBondContact O-NZ 2.9Å; Y504-K508 PolarHBondContact O-N 2.86Å; P505-K508 PolarHBondContact O-N 3.27Å; K508-S511 WeakPolarHBondContact O-CB 3.48Å; K508-S511 PolarHBondContact O-N 3.18Å; K508-R512 PolarHBondContact O-N 3.05Å; K508-R512 VanDerWaalsContact O-N 3.13Å; K508-I568 HydrophobicContact CB-CD1 4.49Å; K508-I568 WeakPolarHBondContact CE-O 3.3Å; K508-I568 HydrophobicContact CG-CD1 3.91Å; K508-I568 WeakPolarHBondContact CG-O 3.26Å; K508-P998 HydrophobicContact CB-CG 3.94Å; K508-P998 HydrophobicContact CD-CG 4.05Å; K508-P998 HydrophobicContact CG-CG 3.95Å
509	F	94.7	Very high	96.1	Very high	14 Å²	14	5.4 Å²	5.4	6%	0.061	3%	0.026	C	C	.	.	H	α-helix	trans	-61.5	-45.6	172.8	172.4	-100.4	0	0	0	112.2	P505 Y506 Q507 S511 R512 I513 H997	P505-F509 WeakPolarHBondContact O-CB 3.25Å; P505-F509 PolarHBondContact O-N 3.4Å; Y506-F509 WeakPolarHBondContact O-CB 3.42Å; Y506-F509 PolarHBondContact O-N 3.45Å; Q507-F509 VanDerWaalsContact C-N 3.33Å; Q507-F509 PolarHBondContact O-N 3.15Å; F509-S511 VanDerWaalsContact C-N 3.32Å; F509-S511 PolarHBondContact O-N 3.27Å; F509-R512 PolarHBondContact O-N 3.32Å; F509-I513 HydrophobicContact CD1-CD1 3.96Å; F509-I513 HydrophobicContact CE1-CD1 3.31Å; F509-I513 HydrophobicContact CE1-CG1 4.3Å; F509-I513 HydrophobicContact CE2-CD1 4.2Å; F509-I513 HydrophobicContact CE2-CG1 4.48Å; F509-I513 HydrophobicContact CZ-CD1 3.45Å; F509-I513 VanDerWaalsContact CZ-CD1 3.45Å; F509-I513 HydrophobicContact CZ-CG1 4.2Å; F509-I513 PolarHBondContact O-N 2.93Å; F509-H997 HydrophobicContact CB-CB 4.4Å
510	L	94.8	Very high	96.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.2	-40.9	174.2	-72.8	-176.4	0	0	0	112.5	Y506 Q507 R512 I513 L514 L584 L585 L660	Y506-L510 HydrophobicContact CD1-CD1 4.11Å; Y506-L510 HydrophobicContact CD1-CG 4.44Å; Y506-L510 HydrophobicContact CE1-CD1 3.42Å; Y506-L510 VanDerWaalsContact CE1-CD1 3.42Å; Y506-L510 HydrophobicContact CE1-CG 3.93Å; Y506-L510 HydrophobicContact CE2-CD2 4.4Å; Y506-L510 HydrophobicContact CE2-CG 4.31Å; Y506-L510 PolarHBondContact O-N 3.17Å; Q507-L510 WeakPolarHBondContact O-CB 3.49Å; Q507-L510 PolarHBondContact O-N 3.12Å; L510-R512 PolarHBondContact O-N 3.27Å; L510-I513 PolarHBondContact O-N 3.18Å; L510-L514 WeakPolarHBondContact O-CB 3.42Å; L510-L514 PolarHBondContact O-N 3.06Å; L510-L584 HydrophobicContact CB-CD1 4.07Å; L510-L585 HydrophobicContact CD1-CD2 4.17Å; L510-L585 HydrophobicContact CD1-CG 4.34Å; L510-L585 HydrophobicContact CD2-CD2 4.14Å; L510-L660 HydrophobicContact CD2-CB 4.27Å; L510-L660 HydrophobicContact CD2-CD1 3.77Å; L510-L660 HydrophobicContact CD2-CD2 4.31Å; L510-L660 HydrophobicContact CD2-CG 4.34Å
511	S	97.1	Very high	96.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-58.1	-46.7	175.4	-174.1	0	0	0	0	111.5	Q507 K508 F509 I513 L514 E515 Q563	Q507-S511 PolarHBondContact O-N 3.33Å; K508-S511 WeakPolarHBondContact O-CB 3.48Å; K508-S511 PolarHBondContact O-N 3.18Å; F509-S511 VanDerWaalsContact C-N 3.32Å; F509-S511 PolarHBondContact O-N 3.27Å; S511-I513 PolarHBondContact O-N 2.93Å; S511-L514 WeakPolarHBondContact O-CB 3.42Å; S511-L514 PolarHBondContact O-N 3.09Å; S511-L514 VanDerWaalsContact O-N 3.13Å; S511-E515 WeakPolarHBondContact O-CG 2.98Å; S511-E515 PolarHBondContact O-N 3.33Å; S511-E515 PolarHBondContact OG-OE1 2.72Å; S511-Q563 PolarHBondContact OG-NE2 3.37Å
512	R	96.7	Very high	96.2	Very high	16 Å²	16	5.4 Å²	5.4	6%	0.06	3%	0.026	C	C	.	.	H	α-helix	trans	-67	-36.7	-179.7	-72.8	-73.4	-170	-89.8	-7.7	113.1	V251 K508 F509 L510 E515 S516 A967 S996 H997	V251-R512 PolarHBondContact O-NH2 3.01Å; V251-R512 VanDerWaalsContact O-NH2 3.12Å; K508-R512 PolarHBondContact O-N 3.05Å; K508-R512 VanDerWaalsContact O-N 3.13Å; F509-R512 PolarHBondContact O-N 3.32Å; L510-R512 PolarHBondContact O-N 3.27Å; R512-E515 IonicContact CZ-OE1 3.46Å; R512-E515 IonicContact NH1-OE1 3.73Å; R512-E515 PolarHBondContact NH1-OE1 3.26Å; R512-E515 IonicContact NH1-OE2 3.53Å; R512-E515 PolarHBondContact NH1-OE2 2.86Å; R512-E515 PolarHBondContact O-N 3.17Å; R512-S516 PolarHBondContact O-N 2.99Å; R512-A967 PolarHBondContact NH2-O 2.67Å; R512-A967 VanDerWaalsContact NH2-O 3.15Å; R512-S996 WeakPolarHBondContact CB-O 3.37Å; R512-S996 WeakPolarHBondContact CG-O 3.34Å; R512-H997 HydrophobicContact CG-CB 4.17Å
513	I	95.9	Very high	96.3	Very high	36 Å²	36	5.4 Å²	5.4	19%	0.185	3%	0.026	C	C	.	.	H	α-helix	trans	-58.7	-51.1	168.8	-69.8	177.1	0	0	0	109.6	F509 L510 S511 E515 S516 E517 V588 L660	F509-I513 HydrophobicContact CD1-CD1 3.96Å; F509-I513 HydrophobicContact CE1-CD1 3.31Å; F509-I513 HydrophobicContact CE1-CG1 4.3Å; F509-I513 HydrophobicContact CE2-CD1 4.2Å; F509-I513 HydrophobicContact CE2-CG1 4.48Å; F509-I513 HydrophobicContact CZ-CD1 3.45Å; F509-I513 VanDerWaalsContact CZ-CD1 3.45Å; F509-I513 HydrophobicContact CZ-CG1 4.2Å; F509-I513 PolarHBondContact O-N 2.93Å; L510-I513 PolarHBondContact O-N 3.18Å; S511-I513 PolarHBondContact O-N 2.93Å; I513-E515 VanDerWaalsContact C-N 3.29Å; I513-E515 PolarHBondContact O-N 3.08Å; I513-S516 PolarHBondContact O-N 3.13Å; I513-E517 HydrophobicContact CG2-CG 3.91Å; I513-E517 WeakPolarHBondContact O-CG 3.46Å; I513-E517 PolarHBondContact O-N 3.37Å; I513-V588 HydrophobicContact CG2-CG1 4.5Å; I513-V588 HydrophobicContact CG2-CG2 4.3Å; I513-L660 HydrophobicContact CD1-CD1 4.01Å; I513-L660 HydrophobicContact CD1-CD2 4.13Å; I513-L660 HydrophobicContact CG2-CD1 4.21Å
514	L	98	Very high	96.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61	-37	-177.3	-175	60.7	0	0	0	112.7	L510 S511 E517 L518 V555 L559 L584 A587 V588	L510-L514 WeakPolarHBondContact O-CB 3.42Å; L510-L514 PolarHBondContact O-N 3.06Å; S511-L514 WeakPolarHBondContact O-CB 3.42Å; S511-L514 PolarHBondContact O-N 3.09Å; S511-L514 VanDerWaalsContact O-N 3.13Å; L514-E517 PolarHBondContact O-N 3.48Å; L514-L518 VanDerWaalsContact O-CB 3.3Å; L514-L518 WeakPolarHBondContact O-CB 3.41Å; L514-L518 PolarHBondContact O-N 2.96Å; L514-V555 HydrophobicContact CD1-CG1 3.84Å; L514-V555 HydrophobicContact CG-CG1 4.48Å; L514-L559 HydrophobicContact CB-CD1 4.45Å; L514-L559 HydrophobicContact CD2-CB 3.82Å; L514-L559 HydrophobicContact CD2-CD1 4.11Å; L514-L559 HydrophobicContact CG-CB 4.28Å; L514-L559 HydrophobicContact CG-CD1 4.28Å; L514-L584 HydrophobicContact CD2-CD2 3.53Å; L514-A587 HydrophobicContact CD1-CB 3.68Å; L514-A587 HydrophobicContact CD2-CB 3.66Å; L514-A587 HydrophobicContact CG-CB 4.33Å; L514-V588 HydrophobicContact CB-CG2 4.11Å; L514-V588 HydrophobicContact CD1-CB 4.47Å; L514-V588 HydrophobicContact CD1-CG2 3.83Å
515	E	98.4	Very high	96.5	Very high	10 Å²	10	5 Å²	5	5%	0.047	2%	0.024	C	C	.	.	H	α-helix	trans	-60.2	-48.2	174.5	-74.3	169.2	-127.8	0	0	111.9	H253 Y255 S511 R512 I513 R519 L559	H253-E515 WeakPolarHBondContact CB-OE2 3.3Å; H253-E515 IonicContact CG-OE2 3.38Å; Y255-E515 HydrophobicContact CD1-CB 4.1Å; Y255-E515 HydrophobicContact CD1-CG 4.27Å; Y255-E515 HydrophobicContact CE1-CB 4.16Å; Y255-E515 WeakPolarHBondContact CE1-O 3.46Å; S511-E515 WeakPolarHBondContact O-CG 2.98Å; S511-E515 PolarHBondContact O-N 3.33Å; S511-E515 PolarHBondContact OG-OE1 2.72Å; R512-E515 IonicContact CZ-OE1 3.46Å; R512-E515 IonicContact NH1-OE1 3.73Å; R512-E515 PolarHBondContact NH1-OE1 3.26Å; R512-E515 IonicContact NH1-OE2 3.53Å; R512-E515 PolarHBondContact NH1-OE2 2.86Å; R512-E515 PolarHBondContact O-N 3.17Å; I513-E515 VanDerWaalsContact C-N 3.29Å; I513-E515 PolarHBondContact O-N 3.08Å; E515-R519 WeakPolarHBondContact O-CB 3.2Å; E515-R519 PolarHBondContact O-N 3.43Å; E515-L559 HydrophobicContact CG-CD1 3.69Å; E515-L559 HydrophobicContact CG-CD2 3.95Å; E515-L559 HydrophobicContact CG-CG 4.44Å
516	S	97.6	Very high	96.5	Very high	11 Å²	11	5 Å²	5	8%	0.077	2%	0.024	C	C	.	.	H	α-helix	trans	-63.6	-45.1	176.9	-177.5	0	0	0	0	111.5	R512 I513 R519 T520	R512-S516 PolarHBondContact O-N 2.99Å; I513-S516 PolarHBondContact O-N 3.13Å; S516-R519 PolarHBondContact O-N 3.48Å; S516-T520 PolarHBondContact O-N 3.06Å; S516-T520 PolarHBondContact O-OG1 3.17Å
517	E	98	Very high	96.5	Very high	9 Å²	9	4.9 Å²	4.9	4%	0.042	2%	0.024	C	C	.	.	H	α-helix	trans	-63.4	-44.9	179.1	-64.8	-82.1	-162.2	0	0	111.3	I513 L514 R519 T520 A521 A591 R592 I595 H1073	I513-E517 HydrophobicContact CG2-CG 3.91Å; I513-E517 WeakPolarHBondContact O-CG 3.46Å; I513-E517 PolarHBondContact O-N 3.37Å; L514-E517 PolarHBondContact O-N 3.48Å; E517-R519 PolarHBondContact O-N 3.41Å; E517-T520 PolarHBondContact O-N 2.77Å; E517-A521 VanDerWaalsContact O-CB 3.26Å; E517-A521 WeakPolarHBondContact O-CB 3.32Å; E517-A521 PolarHBondContact O-N 3.25Å; E517-A591 HydrophobicContact CB-CB 3.84Å; E517-R592 IonicContact OE1-CZ 3.49Å; E517-R592 IonicContact OE1-NE 3.59Å; E517-R592 PolarHBondContact OE1-NE 3.24Å; E517-R592 IonicContact OE1-NH2 2.67Å; E517-I595 HydrophobicContact CB-CD1 4.41Å; E517-I595 WeakPolarHBondContact O-CD1 3.49Å; E517-I595 WeakPolarHBondContact OE2-CD1 3.48Å; E517-H1073 IonicContact OE2-CE1 2.7Å; E517-H1073 PolarHBondContact OE2-CE1 2.62Å; E517-H1073 IonicContact OE2-ND1 2.86Å
518	L	98.6	Very high	96.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.5	-47.6	175.7	174.9	58.1	0	0	0	111	D259 L514 T520 A521 E522 L552 V555 R556 L559	D259-L518 WeakPolarHBondContact OD2-CD2 3.11Å; L514-L518 VanDerWaalsContact O-CB 3.3Å; L514-L518 WeakPolarHBondContact O-CB 3.41Å; L514-L518 PolarHBondContact O-N 2.96Å; L518-T520 VanDerWaalsContact C-N 3.33Å; L518-T520 PolarHBondContact O-N 3.11Å; L518-A521 WeakPolarHBondContact O-CB 3.5Å; L518-A521 PolarHBondContact O-N 3.23Å; L518-E522 HydrophobicContact CD1-CG 3.72Å; L518-E522 HydrophobicContact CG-CG 4.22Å; L518-E522 WeakPolarHBondContact O-CB 3.49Å; L518-E522 WeakPolarHBondContact O-CG 3.43Å; L518-E522 PolarHBondContact O-N 3.41Å; L518-L552 HydrophobicContact CD1-CD2 4.27Å; L518-V555 HydrophobicContact CB-CG1 3.68Å; L518-V555 HydrophobicContact CD1-CB 4.07Å; L518-V555 HydrophobicContact CD1-CG1 3.55Å; L518-V555 HydrophobicContact CD2-CG1 4.26Å; L518-V555 HydrophobicContact CG-CG1 3.98Å; L518-R556 HydrophobicContact CD1-CG 4.03Å; L518-R556 HydrophobicContact CD2-CG 4.21Å; L518-L559 HydrophobicContact CD2-CD2 3.56Å
519	R	97.9	Very high	96	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.015	3%	0.027	C	C	.	.	H	α-helix	trans	-58	-46.9	179.4	-178.9	-175.6	171.6	-85.6	0	111.4	Y255 E515 S516 E517 E522 I523 P693 R1070 L1104 V1105	Y255-R519 HydrophobicContact CE1-CB 4.43Å; Y255-R519 PolarHBondContact OH-N 3.48Å; E515-R519 WeakPolarHBondContact O-CB 3.2Å; E515-R519 PolarHBondContact O-N 3.43Å; S516-R519 PolarHBondContact O-N 3.48Å; E517-R519 PolarHBondContact O-N 3.41Å; R519-E522 PolarHBondContact O-N 3.43Å; R519-I523 HydrophobicContact CG-CD1 4.11Å; R519-I523 WeakPolarHBondContact O-CG1 3.38Å; R519-I523 PolarHBondContact O-N 2.98Å; R519-P693 PolarHBondContact NH1-O 3.11Å; R519-R1070 VanDerWaalsContact NE-NH1 3.1Å; R519-R1070 VanDerWaalsContact NH2-NH1 3.1Å; R519-L1104 PolarHBondContact NE-O 3.36Å; R519-L1104 PolarHBondContact NH2-O 2.96Å; R519-V1105 VanDerWaalsContact CD-O 3.29Å; R519-V1105 WeakPolarHBondContact CD-O 3.43Å; R519-V1105 PolarHBondContact NE-O 2.77Å; R519-V1105 VanDerWaalsContact NE-O 3.08Å
520	T	98.3	Very high	95.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-42.4	177.7	-65.3	0	0	0	0	111.4	S516 E517 L518 E522 I523 L524 I595 F691 H1073	S516-T520 PolarHBondContact O-N 3.06Å; S516-T520 PolarHBondContact O-OG1 3.17Å; E517-T520 PolarHBondContact O-N 2.77Å; L518-T520 VanDerWaalsContact C-N 3.33Å; L518-T520 PolarHBondContact O-N 3.11Å; T520-E522 VanDerWaalsContact C-N 3.35Å; T520-E522 PolarHBondContact O-N 2.97Å; T520-I523 PolarHBondContact O-N 3.32Å; T520-L524 HydrophobicContact CG2-CD1 3.64Å; T520-L524 HydrophobicContact CG2-CG 4.22Å; T520-L524 WeakPolarHBondContact O-CB 3.34Å; T520-L524 WeakPolarHBondContact O-CG 3.33Å; T520-L524 PolarHBondContact O-N 3.43Å; T520-I595 HydrophobicContact CG2-CD1 3.98Å; T520-I595 HydrophobicContact CG2-CG1 4.05Å; T520-I595 HydrophobicContact CG2-CG2 4.34Å; T520-F691 HydrophobicContact CG2-CD1 3.85Å; T520-F691 HydrophobicContact CG2-CE1 3.68Å; T520-H1073 WeakPolarHBondContact CB-NE2 3.3Å; T520-H1073 WeakPolarHBondContact CG2-NE2 3.11Å; T520-H1073 PolarHBondContact OG1-NE2 2.64Å
521	A	98.2	Very high	94.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.1	-44.6	177.4	0	0	0	0	0	111.8	E517 L518 Y525 L552 V594 I595	E517-A521 VanDerWaalsContact O-CB 3.26Å; E517-A521 WeakPolarHBondContact O-CB 3.32Å; E517-A521 PolarHBondContact O-N 3.25Å; L518-A521 WeakPolarHBondContact O-CB 3.5Å; L518-A521 PolarHBondContact O-N 3.23Å; A521-Y525 WeakPolarHBondContact O-CB 3.28Å; A521-Y525 PolarHBondContact O-N 3.33Å; A521-L552 HydrophobicContact CB-CD2 3.7Å; A521-V594 HydrophobicContact CB-CB 4.16Å; A521-V594 HydrophobicContact CB-CG1 4.03Å; A521-I595 HydrophobicContact CB-CD1 4.3Å; A521-I595 HydrophobicContact CB-CG1 3.74Å
522	E	97.5	Very high	93.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.5	-45.5	179.5	-71.1	-81.3	-158.1	0	0	112.9	L518 R519 T520 S526 L552 R556 M1107 K1108	L518-E522 HydrophobicContact CD1-CG 3.72Å; L518-E522 HydrophobicContact CG-CG 4.22Å; L518-E522 WeakPolarHBondContact O-CB 3.49Å; L518-E522 WeakPolarHBondContact O-CG 3.43Å; L518-E522 PolarHBondContact O-N 3.41Å; R519-E522 PolarHBondContact O-N 3.43Å; T520-E522 VanDerWaalsContact C-N 3.35Å; T520-E522 PolarHBondContact O-N 2.97Å; E522-S526 VanDerWaalsContact O-CB 3.24Å; E522-S526 WeakPolarHBondContact O-CB 3.38Å; E522-S526 PolarHBondContact O-N 3.22Å; E522-S526 PolarHBondContact O-OG 3.28Å; E522-L552 HydrophobicContact CG-CD2 4.37Å; E522-R556 IonicContact OE1-CZ 3.47Å; E522-R556 IonicContact OE1-NE 3.64Å; E522-R556 PolarHBondContact OE1-NE 3.17Å; E522-R556 IonicContact OE1-NH2 2.78Å; E522-R556 PolarHBondContact OE1-NH2 3.23Å; E522-R556 IonicContact OE2-CZ 3Å; E522-R556 IonicContact OE2-NH2 3.72Å; E522-R556 PolarHBondContact OE2-NH2 2.75Å; E522-M1107 CarbonylContact C-O 3.59Å; E522-M1107 WeakPolarHBondContact CB-O 3.49Å; E522-K1108 HydrophobicContact CB-CG 4.35Å; E522-K1108 HydrophobicContact CG-CG 4.26Å; E522-K1108 VanDerWaalsContact OE1-CE 3.24Å; E522-K1108 WeakPolarHBondContact OE1-CE 3.45Å; E522-K1108 IonicContact OE1-NZ 2.69Å
523	I	96.9	Very high	92.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-55.7	176.7	-68.2	164.4	0	0	0	109.4	R519 T520 Y525 S526 Y527 L761 L1092 L1104 M1107	R519-I523 HydrophobicContact CG-CD1 4.11Å; R519-I523 WeakPolarHBondContact O-CG1 3.38Å; R519-I523 PolarHBondContact O-N 2.98Å; T520-I523 PolarHBondContact O-N 3.32Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.42Å; I523-S526 PolarHBondContact O-N 3.29Å; I523-Y527 HydrophobicContact CG2-CD2 4.04Å; I523-Y527 HydrophobicContact CG2-CE2 4.15Å; I523-Y527 WeakPolarHBondContact O-CD2 3.47Å; I523-Y527 PolarHBondContact O-N 3.42Å; I523-L761 HydrophobicContact CD1-CD2 4.36Å; I523-L761 HydrophobicContact CG2-CD1 4.38Å; I523-L1092 HydrophobicContact CG2-CD1 4.14Å; I523-L1104 HydrophobicContact CD1-CD2 4.31Å; I523-M1107 HydrophobicContact CG1-CB 3.95Å
524	L	97	Very high	91.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.9	-40.8	-176.7	-68.8	174.5	0	0	0	112.2	T520 T528 I595 L602 F691 F763 L1092	T520-L524 HydrophobicContact CG2-CD1 3.64Å; T520-L524 HydrophobicContact CG2-CG 4.22Å; T520-L524 WeakPolarHBondContact O-CB 3.34Å; T520-L524 WeakPolarHBondContact O-CG 3.33Å; T520-L524 PolarHBondContact O-N 3.43Å; L524-T528 VanDerWaalsContact O-CB 3.26Å; L524-T528 WeakPolarHBondContact O-CB 3.4Å; L524-T528 PolarHBondContact O-N 3.5Å; L524-T528 PolarHBondContact O-OG1 2.86Å; L524-I595 HydrophobicContact CD1-CB 4.25Å; L524-I595 HydrophobicContact CD1-CG1 4.33Å; L524-I595 HydrophobicContact CD1-CG2 3.77Å; L524-L602 HydrophobicContact CD2-CD1 3.82Å; L524-F691 HydrophobicContact CD1-CE1 4.46Å; L524-F691 HydrophobicContact CD2-CD2 4.32Å; L524-F691 HydrophobicContact CD2-CE1 4.32Å; L524-F691 HydrophobicContact CD2-CE2 3.83Å; L524-F691 HydrophobicContact CD2-CZ 3.82Å; L524-F691 HydrophobicContact CG-CE1 4.4Å; L524-F691 HydrophobicContact CG-CZ 4.3Å; L524-F763 HydrophobicContact CD2-CE2 3.87Å; L524-F763 HydrophobicContact CD2-CZ 3.65Å; L524-L1092 HydrophobicContact CD2-CD1 3.94Å
525	Y	95.2	Very high	89.6	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-47.9	174.5	179.4	-99.1	0	0	0	111.2	A521 I523 Y527 T528 R529 I545 L548 Y549 L552 V594 T1109	A521-Y525 WeakPolarHBondContact O-CB 3.28Å; A521-Y525 PolarHBondContact O-N 3.33Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.42Å; Y525-Y527 PolarHBondContact O-N 2.58Å; Y525-T528 PolarHBondContact O-N 2.81Å; Y525-R529 HydrophobicContact CE1-CB 4.22Å; Y525-R529 HydrophobicContact CE1-CG 4.41Å; Y525-R529 WeakPolarHBondContact O-CB 3.36Å; Y525-R529 PolarHBondContact O-N 3.41Å; Y525-I545 HydrophobicContact CE2-CG2 3.97Å; Y525-I545 VanDerWaalsContact CE2-O 3.24Å; Y525-I545 WeakPolarHBondContact CE2-O 3.38Å; Y525-I545 PolarHBondContact OH-O 3.08Å; Y525-L548 HydrophobicContact CD2-CB 4.13Å; Y525-L548 HydrophobicContact CE2-CB 3.89Å; Y525-Y549 HydrophobicContact CE1-CD2 4.07Å; Y525-L552 HydrophobicContact CD1-CD1 3.5Å; Y525-L552 HydrophobicContact CD2-CD1 3.96Å; Y525-L552 HydrophobicContact CE1-CD1 4.07Å; Y525-L552 HydrophobicContact CE2-CD1 4.46Å; Y525-L552 HydrophobicContact CG-CD1 3.45Å; Y525-L552 VanDerWaalsContact CG-CD1 3.45Å; Y525-V594 HydrophobicContact CD2-CG1 4.27Å; Y525-T1109 HydrophobicContact CE1-CG2 4.5Å
526	S	93.2	Very high	87.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.4	-47	-178.7	-63.5	0	0	0	0	111.4	E522 I523 T528 R529 Q530 M1107 T1109	E522-S526 VanDerWaalsContact O-CB 3.24Å; E522-S526 WeakPolarHBondContact O-CB 3.38Å; E522-S526 PolarHBondContact O-N 3.22Å; E522-S526 PolarHBondContact O-OG 3.28Å; I523-S526 PolarHBondContact O-N 3.29Å; S526-T528 PolarHBondContact O-N 2.9Å; S526-R529 PolarHBondContact O-N 3.18Å; S526-Q530 VanDerWaalsContact O-CG 3.26Å; S526-Q530 WeakPolarHBondContact O-CG 3.13Å; S526-Q530 PolarHBondContact O-N 3.45Å; S526-M1107 PolarHBondContact OG-O 3.27Å; S526-T1109 WeakPolarHBondContact CA-OG1 3.37Å; S526-T1109 WeakPolarHBondContact CB-OG1 3.17Å; S526-T1109 PolarHBondContact OG-N 2.91Å; S526-T1109 PolarHBondContact OG-OG1 3.24Å
527	Y	92.5	Very high	86.1	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-43	175.2	-87.9	-84.4	0	0	0	113.1	I523 Y525 S531 L1092 I1093 M1107 F1168 S1170 I1171	I523-Y527 HydrophobicContact CG2-CD2 4.04Å; I523-Y527 HydrophobicContact CG2-CE2 4.15Å; I523-Y527 WeakPolarHBondContact O-CD2 3.47Å; I523-Y527 PolarHBondContact O-N 3.42Å; Y525-Y527 PolarHBondContact O-N 2.58Å; Y527-S531 WeakPolarHBondContact O-CB 3.49Å; Y527-S531 PolarHBondContact O-N 3.44Å; Y527-S531 PolarHBondContact O-OG 2.93Å; Y527-L1092 HydrophobicContact CD1-CB 4.24Å; Y527-L1092 HydrophobicContact CD1-CD2 3.92Å; Y527-L1092 HydrophobicContact CD2-CB 4.25Å; Y527-L1092 HydrophobicContact CD2-CD1 3.95Å; Y527-L1092 HydrophobicContact CD2-CD2 4.3Å; Y527-L1092 HydrophobicContact CD2-CG 4.4Å; Y527-L1092 HydrophobicContact CE1-CB 3.9Å; Y527-L1092 HydrophobicContact CE1-CD2 4.41Å; Y527-L1092 VanDerWaalsContact CE1-O 3.26Å; Y527-L1092 WeakPolarHBondContact CE1-O 3.31Å; Y527-L1092 HydrophobicContact CE2-CB 3.9Å; Y527-L1092 HydrophobicContact CE2-CD1 4.23Å; Y527-L1092 HydrophobicContact CG-CB 4.4Å; Y527-L1092 HydrophobicContact CG-CD1 4.32Å; Y527-L1092 HydrophobicContact CG-CD2 3.85Å; Y527-L1092 HydrophobicContact CG-CG 4.42Å; Y527-L1092 PolarHBondContact OH-O 3.1Å; Y527-L1092 VanDerWaalsContact OH-O 3.05Å; Y527-I1093 WeakPolarHBondContact OH-CG2 3.49Å; Y527-M1107 HydrophobicContact CD2-CE 3.85Å; Y527-M1107 HydrophobicContact CD2-SD 3.83Å; Y527-M1107 HydrophobicContact CE2-CE 3.6Å; Y527-M1107 HydrophobicContact CE2-SD 3.41Å; Y527-M1107 WeakPolarHBondContact CE2-SD 3.47Å; Y527-F1168 WeakPolarHBondContact OH-CD1 3.37Å; Y527-S1170 WeakPolarHBondContact CE1-OG 3.12Å; Y527-I1171 HydrophobicContact CD1-CG2 3.59Å; Y527-I1171 HydrophobicContact CE1-CG1 4.5Å; Y527-I1171 HydrophobicContact CE1-CG2 3.85Å
528	T	90.9	Very high	84.5	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-51.3	178	-63.6	0	0	0	0	110.7	L524 Y525 S526 Q530 S531 V532 I545 S598 Y601	L524-T528 VanDerWaalsContact O-CB 3.26Å; L524-T528 WeakPolarHBondContact O-CB 3.4Å; L524-T528 PolarHBondContact O-N 3.5Å; L524-T528 PolarHBondContact O-OG1 2.86Å; Y525-T528 PolarHBondContact O-N 2.81Å; S526-T528 PolarHBondContact O-N 2.9Å; T528-Q530 PolarHBondContact O-N 3.25Å; T528-S531 PolarHBondContact O-N 3.3Å; T528-V532 HydrophobicContact CG2-CG2 4.32Å; T528-V532 WeakPolarHBondContact O-CG2 3.32Å; T528-V532 PolarHBondContact O-N 2.88Å; T528-I545 HydrophobicContact CG2-CD1 3.63Å; T528-I545 HydrophobicContact CG2-CG1 4.16Å; T528-I545 HydrophobicContact CG2-CG2 4.17Å; T528-S598 WeakPolarHBondContact OG1-CB 3.32Å; T528-S598 PolarHBondContact OG1-O 3.02Å; T528-Y601 HydrophobicContact CG2-CD1 3.57Å; T528-Y601 HydrophobicContact CG2-CD2 4.41Å; T528-Y601 HydrophobicContact CG2-CE1 4.14Å; T528-Y601 HydrophobicContact CG2-CG 3.74Å
529	R	88.2	Confident	83.1	Confident	19 Å²	19	23.1 Å²	23.1	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-41.6	-178.8	176.5	60.8	-175.7	90.4	2.1	112.8	Y525 S526 G533 M542 I545 T1109 N1124	Y525-R529 HydrophobicContact CE1-CB 4.22Å; Y525-R529 HydrophobicContact CE1-CG 4.41Å; Y525-R529 WeakPolarHBondContact O-CB 3.36Å; Y525-R529 PolarHBondContact O-N 3.41Å; S526-R529 PolarHBondContact O-N 3.18Å; R529-G533 PolarHBondContact O-N 2.99Å; R529-G533 VanDerWaalsContact O-N 3.15Å; R529-M542 VanDerWaalsContact NH1-CE 3.27Å; R529-I545 HydrophobicContact CB-CG2 4.25Å; R529-T1109 HydrophobicContact CG-CG2 4.2Å; R529-N1124 PolarHBondContact NH2-O 2.71Å; R529-N1124 VanDerWaalsContact NH2-O 3.1Å
530	Q	85.5	Confident	81.9	Confident	22 Å²	22	26.6 Å²	26.6	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.9	-67.8	-54.3	-24.4	0	0	112.3	S526 T528 R534 T1125 V1127 I1171	S526-Q530 VanDerWaalsContact O-CG 3.26Å; S526-Q530 WeakPolarHBondContact O-CG 3.13Å; S526-Q530 PolarHBondContact O-N 3.45Å; T528-Q530 PolarHBondContact O-N 3.25Å; Q530-R534 PolarHBondContact O-N 2.97Å; Q530-T1125 VanDerWaalsContact NE2-C 3.28Å; Q530-T1125 PolarHBondContact NE2-O 3.47Å; Q530-V1127 HydrophobicContact CG-CG2 3.75Å; Q530-V1127 VanDerWaalsContact NE2-CG2 3.25Å; Q530-I1171 HydrophobicContact CB-CB 4.24Å; Q530-I1171 HydrophobicContact CB-CG2 3.93Å
531	S	81.5	Confident	80.8	Confident	5 Å²	5	26.8 Å²	26.8	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-44.4	177.9	-59.3	0	0	0	0	111.9	Y527 T528 R534 I535	Y527-S531 WeakPolarHBondContact O-CB 3.49Å; Y527-S531 PolarHBondContact O-N 3.44Å; Y527-S531 PolarHBondContact O-OG 2.93Å; T528-S531 PolarHBondContact O-N 3.3Å; S531-R534 PolarHBondContact O-N 2.87Å; S531-I535 WeakPolarHBondContact O-CD1 3.47Å; S531-I535 WeakPolarHBondContact O-CG1 3.27Å; S531-I535 PolarHBondContact O-N 3.36Å
532	V	76.2	Confident	79.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68	-41	-179.8	-173.8	0	0	0	0	111.8	T528 R534 I535 V538 L541 M542 I545 Y601	T528-V532 HydrophobicContact CG2-CG2 4.32Å; T528-V532 WeakPolarHBondContact O-CG2 3.32Å; T528-V532 PolarHBondContact O-N 2.88Å; V532-R534 PolarHBondContact O-N 3.22Å; V532-I535 PolarHBondContact O-N 3.21Å; V532-V538 HydrophobicContact CG1-CG2 4.24Å; V532-L541 HydrophobicContact CG1-CB 4.47Å; V532-M542 HydrophobicContact CB-SD 3.83Å; V532-M542 HydrophobicContact CG1-CG 3.86Å; V532-M542 HydrophobicContact CG1-SD 3.38Å; V532-M542 WeakPolarHBondContact CG1-SD 3.28Å; V532-I545 HydrophobicContact CG2-CG1 3.96Å; V532-Y601 HydrophobicContact CG2-CD2 4.3Å; V532-Y601 HydrophobicContact CG2-CE1 3.89Å; V532-Y601 HydrophobicContact CG2-CE2 3.51Å; V532-Y601 VanDerWaalsContact CG2-OH 3.22Å; V532-Y601 WeakPolarHBondContact CG2-OH 3.46Å
533	G	67	Low	79.2	Confident	43 Å²	43	32.8 Å²	32.8	44%	0.443	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-24.7	-178.9	0	0	0	0	0	113.6	R529	R529-G533 PolarHBondContact O-N 2.99Å; R529-G533 VanDerWaalsContact O-N 3.15Å
534	R	67.2	Low	78.5	Confident	117 Å²	117	34 Å²	34	44%	0.442	18%	0.183	S	C	.	.	H	α-helix	trans	-89.3	-35.5	-177.3	-175.9	175.6	64.1	91.2	1.1	113.7	Q530 S531 V532	Q530-R534 PolarHBondContact O-N 2.97Å; S531-R534 PolarHBondContact O-N 2.87Å; V532-R534 PolarHBondContact O-N 3.22Å
535	I	65.5	Low	78	Confident	16 Å²	16	34 Å²	34	8%	0.082	18%	0.183	C	C	.	.			trans	-95.3	109.4	-168.2	-61.5	164.6	0	0	0	109.1	S531 V532 S537 V538 T539 L605 L609	S531-I535 WeakPolarHBondContact O-CD1 3.47Å; S531-I535 WeakPolarHBondContact O-CG1 3.27Å; S531-I535 PolarHBondContact O-N 3.36Å; V532-I535 PolarHBondContact O-N 3.21Å; I535-S537 VanDerWaalsContact CG2-OG 3.25Å; I535-S537 WeakPolarHBondContact CG2-OG 3.42Å; I535-S537 PolarHBondContact O-N 3.04Å; I535-S537 VanDerWaalsContact O-N 3.16Å; I535-V538 HydrophobicContact CB-CG2 3.53Å; I535-V538 HydrophobicContact CG2-CG1 4.46Å; I535-V538 HydrophobicContact CG2-CG2 3.71Å; I535-V538 VanDerWaalsContact O-CG2 3.23Å; I535-V538 WeakPolarHBondContact O-CG2 3.42Å; I535-V538 PolarHBondContact O-N 3.48Å; I535-V538 VanDerWaalsContact O-N 3.12Å; I535-T539 PolarHBondContact O-N 2.73Å; I535-T539 PolarHBondContact O-OG1 3.17Å; I535-T539 VanDerWaalsContact O-OG1 3.13Å; I535-L605 HydrophobicContact CD1-CD1 3.7Å; I535-L609 HydrophobicContact CD1-CD1 4.46Å; I535-L609 HydrophobicContact CD1-CD2 4.11Å; I535-L609 HydrophobicContact CG2-CD2 4.36Å
536	Q	63.4	Low	77.6	Confident	162 Å²	162	36.8 Å²	36.8	76%	0.757	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.5	-175.9	-167	172.5	17.4	0	0	113.2	V538 T539	Q536-V538 VanDerWaalsContact C-N 3.33Å; Q536-V538 PolarHBondContact O-N 3.35Å; Q536-T539 WeakPolarHBondContact CA-OG1 3.31Å; Q536-T539 PolarHBondContact O-OG1 3.48Å
537	S	59.5	Low	77.4	Confident	28 Å²	28	39.5 Å²	39.5	20%	0.196	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.1	-179.2	65.2	0	0	0	0	112.3	I535 Q540 D612 V623	I535-S537 VanDerWaalsContact CG2-OG 3.25Å; I535-S537 WeakPolarHBondContact CG2-OG 3.42Å; I535-S537 PolarHBondContact O-N 3.04Å; I535-S537 VanDerWaalsContact O-N 3.16Å; S537-Q540 PolarHBondContact O-NE2 3.05Å; S537-D612 WeakPolarHBondContact CB-OD2 3.22Å; S537-D612 PolarHBondContact OG-OD2 3.49Å; S537-V623 WeakPolarHBondContact O-CG2 3.43Å
538	V	65.2	Low	77.4	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.2	-177.8	-61.8	0	0	0	0	114.2	V532 I535 Q536 Q540 L541 M608 V623 F627	V532-V538 HydrophobicContact CG1-CG2 4.24Å; I535-V538 HydrophobicContact CB-CG2 3.53Å; I535-V538 HydrophobicContact CG2-CG1 4.46Å; I535-V538 HydrophobicContact CG2-CG2 3.71Å; I535-V538 VanDerWaalsContact O-CG2 3.23Å; I535-V538 WeakPolarHBondContact O-CG2 3.42Å; I535-V538 PolarHBondContact O-N 3.48Å; I535-V538 VanDerWaalsContact O-N 3.12Å; Q536-V538 VanDerWaalsContact C-N 3.33Å; Q536-V538 PolarHBondContact O-N 3.35Å; V538-Q540 PolarHBondContact O-N 2.98Å; V538-L541 HydrophobicContact CB-CD1 4.31Å; V538-L541 WeakPolarHBondContact O-CB 3.33Å; V538-L541 PolarHBondContact O-N 3.23Å; V538-M608 HydrophobicContact CG1-CE 4.03Å; V538-M608 HydrophobicContact CG1-SD 4.31Å; V538-V623 HydrophobicContact CG1-CG2 3.84Å; V538-F627 HydrophobicContact CG1-CE1 4.21Å
539	T	68.8	Low	77.5	Confident	65 Å²	65	41.3 Å²	41.3	40%	0.399	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-55.6	-27.4	-178.3	-51.4	0	0	0	0	113.3	I535 Q536 L541 M542	I535-T539 PolarHBondContact O-N 2.73Å; I535-T539 PolarHBondContact O-OG1 3.17Å; I535-T539 VanDerWaalsContact O-OG1 3.13Å; Q536-T539 WeakPolarHBondContact CA-OG1 3.31Å; Q536-T539 PolarHBondContact O-OG1 3.48Å; T539-L541 PolarHBondContact O-N 3.34Å; T539-L541 VanDerWaalsContact O-N 3.15Å; T539-M542 HydrophobicContact CG2-CG 4.13Å; T539-M542 WeakPolarHBondContact O-CB 3.41Å; T539-M542 WeakPolarHBondContact O-CG 3.36Å; T539-M542 PolarHBondContact O-N 2.65Å
540	Q	71.7	Confident	77.7	Confident	78 Å²	78	46.4 Å²	46.4	36%	0.364	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.2	-14.1	173.1	46.3	173.9	-26.8	0	0	115.1	S537 V538 P543	S537-Q540 PolarHBondContact O-NE2 3.05Å; V538-Q540 PolarHBondContact O-N 2.98Å; Q540-P543 WeakPolarHBondContact O-CD 3.29Å
541	L	75.4	Confident	78.2	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90	-4.7	173.7	-63.8	171.3	0	0	0	113.2	V532 V538 T539 P543 L544 I545 Y601 F627 K628 L631	V532-L541 HydrophobicContact CG1-CB 4.47Å; V538-L541 HydrophobicContact CB-CD1 4.31Å; V538-L541 WeakPolarHBondContact O-CB 3.33Å; V538-L541 PolarHBondContact O-N 3.23Å; T539-L541 PolarHBondContact O-N 3.34Å; T539-L541 VanDerWaalsContact O-N 3.15Å; L541-P543 VanDerWaalsContact C-N 3.28Å; L541-L544 WeakPolarHBondContact O-CB 3.48Å; L541-L544 PolarHBondContact O-N 3.18Å; L541-I545 PolarHBondContact O-N 3.11Å; L541-I545 VanDerWaalsContact O-N 3.17Å; L541-Y601 HydrophobicContact CD1-CE2 4.29Å; L541-F627 HydrophobicContact CD1-CD1 3.82Å; L541-F627 HydrophobicContact CD1-CE1 3.13Å; L541-F627 HydrophobicContact CD1-CZ 3.96Å; L541-K628 HydrophobicContact CD2-CB 4.3Å; L541-K628 HydrophobicContact CD2-CG 3.9Å; L541-L631 HydrophobicContact CD1-CD1 3.88Å
542	M	79.2	Confident	79	Confident	31 Å²	31	46.5 Å²	46.5	15%	0.153	25%	0.246	C	C	.	.	H	α-helix	trans	-50	-41.1	177.2	-80.9	-54.8	-47.4	0	0	113.8	R529 V532 T539 L544 I545 T546	R529-M542 VanDerWaalsContact NH1-CE 3.27Å; V532-M542 HydrophobicContact CB-SD 3.83Å; V532-M542 HydrophobicContact CG1-CG 3.86Å; V532-M542 HydrophobicContact CG1-SD 3.38Å; V532-M542 WeakPolarHBondContact CG1-SD 3.28Å; T539-M542 HydrophobicContact CG2-CG 4.13Å; T539-M542 WeakPolarHBondContact O-CB 3.41Å; T539-M542 WeakPolarHBondContact O-CG 3.36Å; T539-M542 PolarHBondContact O-N 2.65Å; M542-L544 PolarHBondContact O-N 2.96Å; M542-I545 PolarHBondContact O-N 3.21Å; M542-T546 VanDerWaalsContact O-CB 3.25Å; M542-T546 WeakPolarHBondContact O-CB 3.4Å; M542-T546 PolarHBondContact O-N 3.19Å; M542-T546 PolarHBondContact O-OG1 3.42Å
543	P	83.3	Confident	79.9	Confident	94 Å²	94	47.7 Å²	47.7	61%	0.61	25%	0.254	S	S	*	.	H	α-helix	trans	-61.1	-42.8	177.1	-24.9	35.8	0	0	0	113.2	Q540 L541 T546 N547	Q540-P543 WeakPolarHBondContact O-CD 3.29Å; L541-P543 VanDerWaalsContact C-N 3.28Å; P543-T546 PolarHBondContact O-N 3.41Å; P543-N547 PolarHBondContact O-N 3.42Å
544	L	82.4	Confident	81.4	Confident	26 Å²	26	48.7 Å²	48.7	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-49.4	178.6	-178.3	72.5	0	0	0	110.9	L541 M542 N547 L631 N635	L541-L544 WeakPolarHBondContact O-CB 3.48Å; L541-L544 PolarHBondContact O-N 3.18Å; M542-L544 PolarHBondContact O-N 2.96Å; L544-N547 WeakPolarHBondContact O-CB 3.21Å; L544-N547 PolarHBondContact O-N 3.45Å; L544-L631 HydrophobicContact CD2-CB 4.05Å; L544-N635 HydrophobicContact CD1-CB 3.74Å
545	I	86.2	Confident	82.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-36.6	179.9	-59.2	-55.5	0	0	0	111.2	Y525 T528 R529 V532 L541 M542 N547 L548	Y525-I545 HydrophobicContact CE2-CG2 3.97Å; Y525-I545 VanDerWaalsContact CE2-O 3.24Å; Y525-I545 WeakPolarHBondContact CE2-O 3.38Å; Y525-I545 PolarHBondContact OH-O 3.08Å; T528-I545 HydrophobicContact CG2-CD1 3.63Å; T528-I545 HydrophobicContact CG2-CG1 4.16Å; T528-I545 HydrophobicContact CG2-CG2 4.17Å; R529-I545 HydrophobicContact CB-CG2 4.25Å; V532-I545 HydrophobicContact CG2-CG1 3.96Å; L541-I545 PolarHBondContact O-N 3.11Å; L541-I545 VanDerWaalsContact O-N 3.17Å; M542-I545 PolarHBondContact O-N 3.21Å; I545-N547 VanDerWaalsContact C-N 3.25Å; I545-N547 PolarHBondContact O-N 3.36Å; I545-L548 HydrophobicContact CD1-CD1 4.18Å; I545-L548 PolarHBondContact O-N 2.81Å
546	T	85.9	Confident	84.5	Confident	58 Å²	58	42.5 Å²	42.5	36%	0.356	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-34.5	176.3	-55.8	0	0	0	0	111.1	M542 P543 L548 Y549	M542-T546 VanDerWaalsContact O-CB 3.25Å; M542-T546 WeakPolarHBondContact O-CB 3.4Å; M542-T546 PolarHBondContact O-N 3.19Å; M542-T546 PolarHBondContact O-OG1 3.42Å; P543-T546 PolarHBondContact O-N 3.41Å; T546-L548 VanDerWaalsContact C-N 3.33Å; T546-L548 PolarHBondContact O-N 2.69Å; T546-Y549 WeakPolarHBondContact O-CB 3.48Å; T546-Y549 PolarHBondContact O-N 3.45Å; T546-Y549 VanDerWaalsContact O-N 3.15Å
547	N	89.2	Confident	86.1	Confident	56 Å²	56	37.7 Å²	37.7	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-36.4	177.5	-165.3	49.3	0	0	0	113.1	P543 L544 I545 Y549 Q550	P543-N547 PolarHBondContact O-N 3.42Å; L544-N547 WeakPolarHBondContact O-CB 3.21Å; L544-N547 PolarHBondContact O-N 3.45Å; I545-N547 VanDerWaalsContact C-N 3.25Å; I545-N547 PolarHBondContact O-N 3.36Å; N547-Y549 PolarHBondContact O-N 3.19Å; N547-Q550 WeakPolarHBondContact O-CB 3.19Å; N547-Q550 PolarHBondContact O-N 3.04Å
548	L	92.4	Very high	88	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-20.2	176.6	-62.4	178.9	0	0	0	113.4	Y525 I545 T546 Q550 N551 L552 V594 I597	Y525-L548 HydrophobicContact CD2-CB 4.13Å; Y525-L548 HydrophobicContact CE2-CB 3.89Å; I545-L548 HydrophobicContact CD1-CD1 4.18Å; I545-L548 PolarHBondContact O-N 2.81Å; T546-L548 VanDerWaalsContact C-N 3.33Å; T546-L548 PolarHBondContact O-N 2.69Å; L548-Q550 PolarHBondContact O-N 3.15Å; L548-N551 WeakPolarHBondContact O-CB 3.4Å; L548-N551 PolarHBondContact O-N 3.07Å; L548-L552 PolarHBondContact O-N 2.62Å; L548-L552 VanDerWaalsContact O-N 3.11Å; L548-V594 HydrophobicContact CB-CG2 4.27Å; L548-I597 HydrophobicContact CD1-CB 4.14Å; L548-I597 HydrophobicContact CD1-CG2 3.84Å; L548-I597 HydrophobicContact CD2-CB 4.49Å; L548-I597 HydrophobicContact CD2-CD1 3.8Å
549	Y	93.3	Very high	89.6	Confident	40 Å²	40	37.5 Å²	37.5	16%	0.157	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-35.1	175	-169.6	-98.3	0	0	0	111.9	Y525 T546 N547 N551 L552 T553 R556 H1111	Y525-Y549 HydrophobicContact CE1-CD2 4.07Å; T546-Y549 WeakPolarHBondContact O-CB 3.48Å; T546-Y549 PolarHBondContact O-N 3.45Å; T546-Y549 VanDerWaalsContact O-N 3.15Å; N547-Y549 PolarHBondContact O-N 3.19Å; Y549-N551 VanDerWaalsContact C-N 3.3Å; Y549-N551 PolarHBondContact O-N 3.15Å; Y549-L552 WeakPolarHBondContact O-CB 3.43Å; Y549-L552 PolarHBondContact O-N 3.33Å; Y549-T553 PolarHBondContact O-N 2.83Å; Y549-T553 PolarHBondContact O-OG1 3.38Å; Y549-R556 PolarHBondContact OH-NH1 2.74Å; Y549-H1111 AromaticContact CD1-ND1 3.54Å; Y549-H1111 AromaticContact CD2-CE1 3.5Å; Y549-H1111 AromaticContact CD2-CG 3.98Å; Y549-H1111 AromaticContact CD2-ND1 3.63Å; Y549-H1111 AromaticContact CD2-NE2 3.81Å; Y549-H1111 HydrophobicContact CE1-CB 4.11Å; Y549-H1111 AromaticContact CE1-ND1 3.86Å; Y549-H1111 HydrophobicContact CE2-CB 4.37Å; Y549-H1111 AromaticContact CE2-CD2 3.98Å; Y549-H1111 AromaticContact CE2-CG 3.84Å; Y549-H1111 AromaticContact CE2-ND1 3.94Å; Y549-H1111 AromaticContact CG-CE1 3.46Å; Y549-H1111 VanDerWaalsContact CG-CE1 3.46Å; Y549-H1111 AromaticContact CG-ND1 3.41Å; Y549-H1111 AromaticContact CZ-CG 3.89Å
550	Q	93.7	Very high	91	Very high	127 Å²	127	34.4 Å²	34.4	59%	0.593	18%	0.18	S	C	*	.	H	α-helix	trans	-64.4	-38.5	176.7	-63.8	-178.3	-9.4	0	0	111.3	N547 L548 T553 T554	N547-Q550 WeakPolarHBondContact O-CB 3.19Å; N547-Q550 PolarHBondContact O-N 3.04Å; L548-Q550 PolarHBondContact O-N 3.15Å; Q550-T553 WeakPolarHBondContact O-CB 3.32Å; Q550-T553 PolarHBondContact O-N 3.5Å; Q550-T554 PolarHBondContact O-N 3.06Å; Q550-T554 PolarHBondContact O-OG1 3.39Å
551	N	95.9	Very high	92.3	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.15	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-46.2	172.1	-74.3	63.2	0	0	0	111.2	L548 Y549 T553 T554 V555 A590 V594	L548-N551 WeakPolarHBondContact O-CB 3.4Å; L548-N551 PolarHBondContact O-N 3.07Å; Y549-N551 VanDerWaalsContact C-N 3.3Å; Y549-N551 PolarHBondContact O-N 3.15Å; N551-T553 VanDerWaalsContact C-N 3.32Å; N551-T553 PolarHBondContact O-N 3.41Å; N551-T554 WeakPolarHBondContact O-CB 3.34Å; N551-T554 PolarHBondContact O-N 3.29Å; N551-V555 WeakPolarHBondContact O-CG2 3.4Å; N551-V555 PolarHBondContact O-N 2.88Å; N551-A590 HydrophobicContact CB-CB 4.28Å; N551-V594 HydrophobicContact CB-CG2 3.53Å
552	L	97.1	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-42.3	174.9	-72.5	176.8	0	0	0	112.2	L518 A521 E522 Y525 L548 Y549 T554 V555 R556 V594	L518-L552 HydrophobicContact CD1-CD2 4.27Å; A521-L552 HydrophobicContact CB-CD2 3.7Å; E522-L552 HydrophobicContact CG-CD2 4.37Å; Y525-L552 HydrophobicContact CD1-CD1 3.5Å; Y525-L552 HydrophobicContact CD2-CD1 3.96Å; Y525-L552 HydrophobicContact CE1-CD1 4.07Å; Y525-L552 HydrophobicContact CE2-CD1 4.46Å; Y525-L552 HydrophobicContact CG-CD1 3.45Å; Y525-L552 VanDerWaalsContact CG-CD1 3.45Å; L548-L552 PolarHBondContact O-N 2.62Å; L548-L552 VanDerWaalsContact O-N 3.11Å; Y549-L552 WeakPolarHBondContact O-CB 3.43Å; Y549-L552 PolarHBondContact O-N 3.33Å; L552-T554 PolarHBondContact O-N 2.95Å; L552-V555 WeakPolarHBondContact O-CB 3.39Å; L552-V555 PolarHBondContact O-N 3.02Å; L552-R556 VanDerWaalsContact O-CG 3.29Å; L552-R556 WeakPolarHBondContact O-CG 3.43Å; L552-R556 PolarHBondContact O-N 3.37Å; L552-V594 HydrophobicContact CD2-CB 4.45Å; L552-V594 HydrophobicContact CD2-CG1 4Å; L552-V594 HydrophobicContact CD2-CG2 4.29Å; L552-V594 HydrophobicContact CG-CG1 4.17Å; L552-V594 HydrophobicContact CG-CG2 4.21Å
553	T	96.6	Very high	94.3	Very high	25 Å²	25	29.2 Å²	29.2	15%	0.153	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-46.1	174.9	-59.4	0	0	0	0	111.5	Y549 Q550 N551 V555 R556 R557	Y549-T553 PolarHBondContact O-N 2.83Å; Y549-T553 PolarHBondContact O-OG1 3.38Å; Q550-T553 WeakPolarHBondContact O-CB 3.32Å; Q550-T553 PolarHBondContact O-N 3.5Å; N551-T553 VanDerWaalsContact C-N 3.32Å; N551-T553 PolarHBondContact O-N 3.41Å; T553-V555 VanDerWaalsContact C-N 3.29Å; T553-V555 PolarHBondContact O-N 3.18Å; T553-R556 PolarHBondContact O-N 2.87Å; T553-R557 HydrophobicContact CG2-CG 4.28Å; T553-R557 WeakPolarHBondContact O-CB 3.3Å; T553-R557 VanDerWaalsContact O-CG 3.28Å; T553-R557 WeakPolarHBondContact O-CG 3.44Å; T553-R557 PolarHBondContact O-N 2.98Å
554	T	97.6	Very high	95.1	Very high	65 Å²	65	24.8 Å²	24.8	40%	0.399	13%	0.126	S	C	.	.	H	α-helix	trans	-58.2	-41.7	174.7	-62.6	0	0	0	0	111.9	Q550 N551 L552 N558	Q550-T554 PolarHBondContact O-N 3.06Å; Q550-T554 PolarHBondContact O-OG1 3.39Å; N551-T554 WeakPolarHBondContact O-CB 3.34Å; N551-T554 PolarHBondContact O-N 3.29Å; L552-T554 PolarHBondContact O-N 2.95Å; T554-N558 WeakPolarHBondContact O-CB 3.46Å; T554-N558 PolarHBondContact O-N 3.17Å; T554-N558 VanDerWaalsContact O-N 3.08Å; T554-N558 PolarHBondContact O-ND2 3.47Å
555	V	98.5	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-52	178.8	-179.6	0	0	0	0	110.8	L514 L518 N551 L552 T553 R557 N558 L559 A587 A590 A591	L514-V555 HydrophobicContact CD1-CG1 3.84Å; L514-V555 HydrophobicContact CG-CG1 4.48Å; L518-V555 HydrophobicContact CB-CG1 3.68Å; L518-V555 HydrophobicContact CD1-CB 4.07Å; L518-V555 HydrophobicContact CD1-CG1 3.55Å; L518-V555 HydrophobicContact CD2-CG1 4.26Å; L518-V555 HydrophobicContact CG-CG1 3.98Å; N551-V555 WeakPolarHBondContact O-CG2 3.4Å; N551-V555 PolarHBondContact O-N 2.88Å; L552-V555 WeakPolarHBondContact O-CB 3.39Å; L552-V555 PolarHBondContact O-N 3.02Å; T553-V555 VanDerWaalsContact C-N 3.29Å; T553-V555 PolarHBondContact O-N 3.18Å; V555-R557 PolarHBondContact O-N 3.25Å; V555-N558 PolarHBondContact O-N 3.48Å; V555-L559 WeakPolarHBondContact O-CB 3.37Å; V555-L559 PolarHBondContact O-N 3.22Å; V555-A587 WeakPolarHBondContact CG2-O 3.43Å; V555-A590 HydrophobicContact CG2-CB 3.77Å; V555-A591 HydrophobicContact CG1-CB 4.1Å; V555-A591 HydrophobicContact CG2-CB 3.84Å
556	R	98.4	Very high	96.4	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-49.1	179	-69.2	166.7	-173.1	165.6	1.2	111.7	E263 L518 E522 Y549 L552 T553 L559 G560	E263-R556 HydrophobicContact CG-CB 4.5Å; E263-R556 WeakPolarHBondContact OE2-CD 3.48Å; L518-R556 HydrophobicContact CD1-CG 4.03Å; L518-R556 HydrophobicContact CD2-CG 4.21Å; E522-R556 IonicContact OE1-CZ 3.47Å; E522-R556 IonicContact OE1-NE 3.64Å; E522-R556 PolarHBondContact OE1-NE 3.17Å; E522-R556 IonicContact OE1-NH2 2.78Å; E522-R556 PolarHBondContact OE1-NH2 3.23Å; E522-R556 IonicContact OE2-CZ 3Å; E522-R556 IonicContact OE2-NH2 3.72Å; E522-R556 PolarHBondContact OE2-NH2 2.75Å; Y549-R556 PolarHBondContact OH-NH1 2.74Å; L552-R556 VanDerWaalsContact O-CG 3.29Å; L552-R556 WeakPolarHBondContact O-CG 3.43Å; L552-R556 PolarHBondContact O-N 3.37Å; T553-R556 PolarHBondContact O-N 2.87Å; R556-L559 PolarHBondContact O-N 2.99Å; R556-G560 PolarHBondContact O-N 3.24Å
557	R	98.4	Very high	96.9	Very high	60 Å²	60	20.9 Å²	20.9	23%	0.226	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-39.8	-176.3	-69.1	179.3	-179.5	-161	-1.4	112.7	D214 W244 E263 T553 V555 L561	D214-R557 IonicContact OD1-CZ 3.7Å; D214-R557 IonicContact OD1-NH1 3.12Å; D214-R557 PolarHBondContact OD1-NH1 3.46Å; D214-R557 IonicContact OD1-NH2 2.77Å; D214-R557 PolarHBondContact OD1-NH2 2.91Å; D214-R557 IonicContact OD2-CZ 2.62Å; D214-R557 IonicContact OD2-NH1 3.16Å; D214-R557 PolarHBondContact OD2-NH1 2.78Å; W244-R557 HydrophobicContact CD2-CG 4.4Å; W244-R557 HydrophobicContact CE3-CG 4.47Å; W244-R557 HydrophobicContact CH2-CB 4.38Å; W244-R557 VanDerWaalsContact CH2-CD 3.47Å; W244-R557 HydrophobicContact CH2-CG 3.65Å; W244-R557 HydrophobicContact CZ2-CB 3.75Å; W244-R557 HydrophobicContact CZ2-CG 3.52Å; W244-R557 HydrophobicContact CZ3-CG 4.12Å; W244-R557 PolarHBondContact NE1-O 3.17Å; W244-R557 VanDerWaalsContact NE1-O 3.16Å; E263-R557 HydrophobicContact CG-CG 4.04Å; E263-R557 WeakPolarHBondContact OE1-CG 3.47Å; E263-R557 IonicContact OE1-CZ 3.81Å; E263-R557 IonicContact OE1-NE 3.19Å; E263-R557 PolarHBondContact OE1-NE 2.88Å; E263-R557 IonicContact OE1-NH2 2.8Å; T553-R557 HydrophobicContact CG2-CG 4.28Å; T553-R557 WeakPolarHBondContact O-CB 3.3Å; T553-R557 VanDerWaalsContact O-CG 3.28Å; T553-R557 WeakPolarHBondContact O-CG 3.44Å; T553-R557 PolarHBondContact O-N 2.98Å; V555-R557 PolarHBondContact O-N 3.25Å; R557-L561 WeakPolarHBondContact O-CB 3.49Å; R557-L561 PolarHBondContact O-N 2.81Å
558	N	98.7	Very high	97.4	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.139	9%	0.089	C	C	.	.	H	α-helix	trans	-73.3	-38.7	177.3	-75.9	-30.8	0	0	0	112.2	T554 V555 F562 K583 A587	T554-N558 WeakPolarHBondContact O-CB 3.46Å; T554-N558 PolarHBondContact O-N 3.17Å; T554-N558 VanDerWaalsContact O-N 3.08Å; T554-N558 PolarHBondContact O-ND2 3.47Å; V555-N558 PolarHBondContact O-N 3.48Å; N558-F562 PolarHBondContact O-N 2.9Å; N558-F562 VanDerWaalsContact O-N 3.13Å; N558-K583 PolarHBondContact ND2-O 2.98Å; N558-A587 HydrophobicContact CB-CB 3.76Å
559	L	98.8	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-49	172.2	176.6	62.7	0	0	0	110.4	L514 E515 L518 V555 R556 F562 Q563	L514-L559 HydrophobicContact CB-CD1 4.45Å; L514-L559 HydrophobicContact CD2-CB 3.82Å; L514-L559 HydrophobicContact CD2-CD1 4.11Å; L514-L559 HydrophobicContact CG-CB 4.28Å; L514-L559 HydrophobicContact CG-CD1 4.28Å; E515-L559 HydrophobicContact CG-CD1 3.69Å; E515-L559 HydrophobicContact CG-CD2 3.95Å; E515-L559 HydrophobicContact CG-CG 4.44Å; L518-L559 HydrophobicContact CD2-CD2 3.56Å; V555-L559 WeakPolarHBondContact O-CB 3.37Å; V555-L559 PolarHBondContact O-N 3.22Å; R556-L559 PolarHBondContact O-N 2.99Å; L559-F562 PolarHBondContact O-N 3.43Å; L559-Q563 WeakPolarHBondContact O-CG 3.43Å; L559-Q563 PolarHBondContact O-N 3.22Å; L559-Q563 PolarHBondContact O-NE2 3.47Å
560	G	98.6	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-43.1	179.2	0	0	0	0	0	112.6	V245 R556 F562 Q563	V245-G560 WeakPolarHBondContact CG2-O 3.41Å; R556-G560 PolarHBondContact O-N 3.24Å; G560-F562 VanDerWaalsContact C-N 3.29Å; G560-F562 PolarHBondContact O-N 2.99Å; G560-Q563 PolarHBondContact O-N 2.93Å; G560-Q563 VanDerWaalsContact O-N 3.11Å
561	L	98.8	Very high	97.8	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	5%	0.054	C	C	.	.	H	α-helix	trans	-57.1	-44.5	175.3	176.7	64.7	0	0	0	111.2	P172 L178 V245 R557 Q563 H564 Y580 K583	P172-L561 HydrophobicContact CB-CD1 3.69Å; P172-L561 HydrophobicContact CG-CD1 4.02Å; L178-L561 HydrophobicContact CD1-CD1 4.49Å; L178-L561 HydrophobicContact CD2-CD1 4.3Å; L178-L561 HydrophobicContact CD2-CD2 4.17Å; V245-L561 HydrophobicContact CG1-CD1 4.25Å; R557-L561 WeakPolarHBondContact O-CB 3.49Å; R557-L561 PolarHBondContact O-N 2.81Å; L561-Q563 PolarHBondContact O-N 2.87Å; L561-H564 WeakPolarHBondContact O-CB 3.21Å; L561-H564 PolarHBondContact O-N 3.44Å; L561-Y580 HydrophobicContact CD1-CE1 4.31Å; L561-Y580 HydrophobicContact CD2-CD1 4.34Å; L561-Y580 HydrophobicContact CD2-CE1 4.06Å; L561-Y580 HydrophobicContact CG-CD1 4.4Å; L561-Y580 HydrophobicContact CG-CE1 3.85Å; L561-K583 HydrophobicContact CD2-CD 3.77Å
562	F	98.7	Very high	97.8	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-71	-15.1	-178.7	-167.3	-113.3	0	0	0	113.6	Q507 N558 L559 G560 H564 A567 I568 M577 Y580 L584	Q507-F562 HydrophobicContact CB-CE1 4.25Å; Q507-F562 HydrophobicContact CB-CE2 4.21Å; Q507-F562 HydrophobicContact CB-CZ 3.52Å; Q507-F562 HydrophobicContact CG-CZ 4.48Å; N558-F562 PolarHBondContact O-N 2.9Å; N558-F562 VanDerWaalsContact O-N 3.13Å; L559-F562 PolarHBondContact O-N 3.43Å; G560-F562 VanDerWaalsContact C-N 3.29Å; G560-F562 PolarHBondContact O-N 2.99Å; F562-H564 PolarHBondContact O-N 2.69Å; F562-A567 HydrophobicContact CD2-CB 3.85Å; F562-A567 HydrophobicContact CE2-CB 4.18Å; F562-A567 WeakPolarHBondContact CE2-O 3.34Å; F562-A567 WeakPolarHBondContact CZ-O 3.44Å; F562-A567 WeakPolarHBondContact O-CB 3.33Å; F562-I568 HydrophobicContact CD1-CD1 3.89Å; F562-I568 HydrophobicContact CE1-CB 4.33Å; F562-I568 HydrophobicContact CE1-CD1 3.38Å; F562-I568 HydrophobicContact CE1-CG1 4.44Å; F562-I568 HydrophobicContact CZ-CD1 4.22Å; F562-I568 VanDerWaalsContact O-CB 3.28Å; F562-I568 WeakPolarHBondContact O-CB 3.5Å; F562-I568 PolarHBondContact O-N 3.33Å; F562-M577 HydrophobicContact CE2-CE 4.18Å; F562-M577 HydrophobicContact CZ-CE 4.48Å; F562-Y580 HydrophobicContact CD2-CD1 4.24Å; F562-Y580 HydrophobicContact CD2-CD2 4.3Å; F562-Y580 AromaticContact CD2-CG 3.88Å; F562-Y580 HydrophobicContact CD2-CG 3.88Å; F562-Y580 HydrophobicContact CE2-CD2 4.33Å; F562-Y580 HydrophobicContact CE2-CG 4.21Å; F562-L584 HydrophobicContact CB-CD2 3.87Å; F562-L584 HydrophobicContact CB-CG 4.43Å; F562-L584 HydrophobicContact CD1-CD1 3.76Å; F562-L584 HydrophobicContact CD1-CD2 4.03Å; F562-L584 HydrophobicContact CD1-CG 4.4Å; F562-L584 HydrophobicContact CD2-CD1 4Å; F562-L584 HydrophobicContact CD2-CG 4.47Å; F562-L584 HydrophobicContact CE1-CD1 3.85Å; F562-L584 HydrophobicContact CE2-CD1 4.12Å; F562-L584 HydrophobicContact CG-CD1 3.84Å; F562-L584 HydrophobicContact CG-CD2 3.95Å; F562-L584 HydrophobicContact CG-CG 4.17Å; F562-L584 HydrophobicContact CZ-CD1 4.06Å
563	Q	98.6	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.5	175.5	-56.4	-43.7	-76.1	0	0	113.4	V245 P247 D248 T252 S256 S511 L559 G560 L561	V245-Q563 HydrophobicContact CG2-CB 4.46Å; P247-Q563 CarbonylContact C-O 3.26Å; P247-Q563 VanDerWaalsContact CA-O 3.23Å; P247-Q563 WeakPolarHBondContact CA-O 3.49Å; D248-Q563 PolarHBondContact N-O 3.36Å; T252-Q563 HydrophobicContact CG2-CB 4.36Å; S256-Q563 VanDerWaalsContact CB-OE1 3.31Å; S256-Q563 PolarHBondContact OG-OE1 3.04Å; S511-Q563 PolarHBondContact OG-NE2 3.37Å; L559-Q563 WeakPolarHBondContact O-CG 3.43Å; L559-Q563 PolarHBondContact O-N 3.22Å; L559-Q563 PolarHBondContact O-NE2 3.47Å; G560-Q563 PolarHBondContact O-N 2.93Å; G560-Q563 VanDerWaalsContact O-N 3.11Å; L561-Q563 PolarHBondContact O-N 2.87Å
564	H	98.7	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-55.1	147.4	179.4	-178.6	-104	0	0	0	111.5	D171 P172 E209 V245 M246 L561 F562 D566 A567 I568	D171-H564 IonicContact OD1-CE1 2.82Å; D171-H564 PolarHBondContact OD1-CE1 3.03Å; D171-H564 IonicContact OD1-NE2 3.82Å; D171-H564 PolarHBondContact OD1-NE2 3.22Å; P172-H564 WeakPolarHBondContact CD-CD2 3.16Å; P172-H564 WeakPolarHBondContact CD-NE2 3.33Å; P172-H564 HydrophobicContact CG-CB 4.11Å; E209-H564 IonicContact OE1-CD2 3.79Å; E209-H564 PolarHBondContact OE1-CD2 3Å; E209-H564 VanDerWaalsContact OE1-CD2 3.28Å; E209-H564 IonicContact OE1-NE2 3.86Å; V245-H564 HydrophobicContact CB-CB 3.96Å; V245-H564 HydrophobicContact CG1-CB 4.22Å; V245-H564 HydrophobicContact CG2-CB 3.93Å; M246-H564 WeakPolarHBondContact O-CA 3.25Å; M246-H564 PolarHBondContact O-CD2 3.32Å; L561-H564 WeakPolarHBondContact O-CB 3.21Å; L561-H564 PolarHBondContact O-N 3.44Å; F562-H564 PolarHBondContact O-N 2.69Å; H564-D566 IonicContact CE1-OD2 3.19Å; H564-D566 PolarHBondContact CE1-OD2 2.95Å; H564-D566 PolarHBondContact ND1-N 2.72Å; H564-D566 VanDerWaalsContact ND1-N 3.13Å; H564-D566 PolarHBondContact O-N 2.96Å; H564-D566 VanDerWaalsContact O-N 3.11Å; H564-A567 HydrophobicContact CB-CB 3.98Å; H564-A567 PolarHBondContact O-N 3.31Å; H564-I568 PolarHBondContact O-N 2.84Å
565	H	97.9	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.5	-173.7	76.4	77	0	0	0	115.1	H169 D171 M246 D248 D283 F285 T569	H169-H565 AromaticContact CE1-NE2 3.93Å; H169-H565 AromaticContact NE2-NE2 3.51Å; D171-H565 IonicContact OD1-CE1 2.9Å; D171-H565 IonicContact OD1-NE2 3.59Å; D171-H565 PolarHBondContact OD1-NE2 2.88Å; M246-H565 PolarHBondContact O-N 2.72Å; M246-H565 VanDerWaalsContact O-N 3.13Å; D248-H565 HydrophobicContact CB-CB 4.27Å; D283-H565 VanDerWaalsContact CG-CE1 3.44Å; D283-H565 IonicContact OD2-CE1 3.28Å; D283-H565 PolarHBondContact OD2-CE1 2.95Å; D283-H565 IonicContact OD2-NE2 3.13Å; D283-H565 PolarHBondContact OD2-NE2 2.93Å; D283-H565 VanDerWaalsContact OD2-NE2 3.08Å; F285-H565 AromaticContact CE1-ND1 3.49Å; F285-H565 WeakPolarHBondContact CE1-ND1 3.23Å; F285-H565 VanDerWaalsContact CE2-O 3.28Å; F285-H565 WeakPolarHBondContact CE2-O 3.45Å; F285-H565 AromaticContact CZ-ND1 3.25Å; F285-H565 WeakPolarHBondContact CZ-ND1 3.42Å; H565-T569 VanDerWaalsContact O-CB 3.31Å; H565-T569 WeakPolarHBondContact O-CB 3.3Å; H565-T569 WeakPolarHBondContact O-CG2 3.46Å; H565-T569 PolarHBondContact O-OG1 3.29Å
566	D	98	Very high	97.3	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-19.3	169.2	-72.8	-54.8	0	0	0	115.4	H564 T569 T571 Y854	H564-D566 IonicContact CE1-OD2 3.19Å; H564-D566 PolarHBondContact CE1-OD2 2.95Å; H564-D566 PolarHBondContact ND1-N 2.72Å; H564-D566 VanDerWaalsContact ND1-N 3.13Å; H564-D566 PolarHBondContact O-N 2.96Å; H564-D566 VanDerWaalsContact O-N 3.11Å; D566-T569 WeakPolarHBondContact CA-OG1 3.36Å; D566-T569 PolarHBondContact O-OG1 2.88Å; D566-T571 WeakPolarHBondContact CA-OG1 3.13Å; D566-T571 CarbonylContact O-C 3.59Å; D566-T571 PolarHBondContact O-N 2.91Å; D566-T571 PolarHBondContact OD1-OG1 2.93Å; D566-Y854 PolarHBondContact OD1-OH 2.52Å
567	A	98.2	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-61.6	-172.2	0	0	0	0	0	111.6	F562 H564 T569 G570 Y580	F562-A567 HydrophobicContact CD2-CB 3.85Å; F562-A567 HydrophobicContact CE2-CB 4.18Å; F562-A567 WeakPolarHBondContact CE2-O 3.34Å; F562-A567 WeakPolarHBondContact CZ-O 3.44Å; F562-A567 WeakPolarHBondContact O-CB 3.33Å; H564-A567 HydrophobicContact CB-CB 3.98Å; H564-A567 PolarHBondContact O-N 3.31Å; A567-T569 VanDerWaalsContact C-N 3.26Å; A567-T569 PolarHBondContact O-N 3.47Å; A567-G570 PolarHBondContact O-N 3.43Å; A567-G570 VanDerWaalsContact O-N 3.09Å; A567-Y580 HydrophobicContact CB-CD2 3.97Å; A567-Y580 HydrophobicContact CB-CE1 4.12Å; A567-Y580 HydrophobicContact CB-CE2 3.42Å; A567-Y580 VanDerWaalsContact CB-CE2 3.42Å; A567-Y580 HydrophobicContact CB-CG 4.49Å
568	I	98.2	Very high	96.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.1	-178.1	-174	61.5	0	0	0	112.4	D248 V251 T252 K508 F562 H564 G570	D248-I568 HydrophobicContact CB-CG2 3.51Å; V251-I568 HydrophobicContact CB-CG1 4.49Å; V251-I568 HydrophobicContact CG2-CB 4.34Å; V251-I568 HydrophobicContact CG2-CG1 3.75Å; V251-I568 HydrophobicContact CG2-CG2 3.9Å; T252-I568 HydrophobicContact CG2-CG1 4.47Å; T252-I568 HydrophobicContact CG2-CG2 3.86Å; K508-I568 HydrophobicContact CB-CD1 4.49Å; K508-I568 WeakPolarHBondContact CE-O 3.3Å; K508-I568 HydrophobicContact CG-CD1 3.91Å; K508-I568 WeakPolarHBondContact CG-O 3.26Å; F562-I568 HydrophobicContact CD1-CD1 3.89Å; F562-I568 HydrophobicContact CE1-CB 4.33Å; F562-I568 HydrophobicContact CE1-CD1 3.38Å; F562-I568 HydrophobicContact CE1-CG1 4.44Å; F562-I568 HydrophobicContact CZ-CD1 4.22Å; F562-I568 VanDerWaalsContact O-CB 3.28Å; F562-I568 WeakPolarHBondContact O-CB 3.5Å; F562-I568 PolarHBondContact O-N 3.33Å; H564-I568 PolarHBondContact O-N 2.84Å; I568-G570 VanDerWaalsContact C-N 3.28Å
569	T	97.3	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.3	176.1	59.1	0	0	0	0	112.2	D248 V251 F285 Y500 S503 H565 D566 A567 T571	D248-T569 HydrophobicContact CB-CG2 3.86Å; V251-T569 HydrophobicContact CG2-CG2 4.07Å; F285-T569 HydrophobicContact CD2-CG2 4.2Å; F285-T569 HydrophobicContact CE2-CG2 4.16Å; Y500-T569 VanDerWaalsContact CD2-CB 3.47Å; Y500-T569 HydrophobicContact CD2-CG2 3.33Å; Y500-T569 HydrophobicContact CE2-CG2 3.49Å; Y500-T569 VanDerWaalsContact CE2-CG2 3.49Å; Y500-T569 HydrophobicContact CG-CG2 4.23Å; S503-T569 WeakPolarHBondContact CB-O 3.44Å; H565-T569 VanDerWaalsContact O-CB 3.31Å; H565-T569 WeakPolarHBondContact O-CB 3.3Å; H565-T569 WeakPolarHBondContact O-CG2 3.46Å; H565-T569 PolarHBondContact O-OG1 3.29Å; D566-T569 WeakPolarHBondContact CA-OG1 3.36Å; D566-T569 PolarHBondContact O-OG1 2.88Å; A567-T569 VanDerWaalsContact C-N 3.26Å; A567-T569 PolarHBondContact O-N 3.47Å; T569-T571 VanDerWaalsContact C-N 3.32Å; T569-T571 PolarHBondContact OG1-N 3.18Å; T569-T571 PolarHBondContact OG1-OG1 2.65Å
570	G	95.1	Very high	96.8	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	26	-176.4	0	0	0	0	0	113.4	Y504 A567 I568 A572	Y504-G570 WeakPolarHBondContact CD2-O 3.5Å; Y504-G570 WeakPolarHBondContact CE2-O 3.35Å; A567-G570 PolarHBondContact O-N 3.43Å; A567-G570 VanDerWaalsContact O-N 3.09Å; I568-G570 VanDerWaalsContact C-N 3.28Å; G570-A572 VanDerWaalsContact C-N 3.26Å; G570-A572 PolarHBondContact O-N 2.99Å
571	T	95.8	Very high	96.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.			trans	-96	42.6	178.8	59.1	0	0	0	0	111.7	W174 F285 D566 T569 Y854 V1025	W174-T571 VanDerWaalsContact CD1-O 3.3Å; F285-T571 HydrophobicContact CE2-CG2 4.11Å; F285-T571 WeakPolarHBondContact CE2-OG1 3.34Å; D566-T571 WeakPolarHBondContact CA-OG1 3.13Å; D566-T571 CarbonylContact O-C 3.59Å; D566-T571 PolarHBondContact O-N 2.91Å; D566-T571 PolarHBondContact OD1-OG1 2.93Å; T569-T571 VanDerWaalsContact C-N 3.32Å; T569-T571 PolarHBondContact OG1-N 3.18Å; T569-T571 PolarHBondContact OG1-OG1 2.65Å; T571-Y854 VanDerWaalsContact CB-CZ 3.45Å; T571-Y854 HydrophobicContact CG2-CD1 3.38Å; T571-Y854 HydrophobicContact CG2-CD2 4.33Å; T571-Y854 HydrophobicContact CG2-CE1 3.45Å; T571-Y854 VanDerWaalsContact CG2-CE1 3.45Å; T571-Y854 HydrophobicContact CG2-CE2 4.4Å; T571-Y854 HydrophobicContact CG2-CG 3.87Å; T571-Y854 PolarHBondContact O-OH 3.36Å; T571-Y854 WeakPolarHBondContact OG1-CE1 3.24Å; T571-V1025 WeakPolarHBondContact O-CG2 3.16Å
572	A	96	Very high	96.4	Very high	3 Å²	3	17 Å²	17	3%	0.025	8%	0.083	C	C	.	.	S	Bend	trans	-124.4	163.1	174.9	0	0	0	0	0	110.5	W174 G570 V576 M577 Y580	W174-A572 WeakPolarHBondContact O-CA 3.39Å; W174-A572 WeakPolarHBondContact O-CB 3.48Å; G570-A572 VanDerWaalsContact C-N 3.26Å; G570-A572 PolarHBondContact O-N 2.99Å; A572-V576 HydrophobicContact CB-CB 4.08Å; A572-V576 HydrophobicContact CB-CG1 3.96Å; A572-M577 HydrophobicContact CB-CG 4.2Å; A572-M577 HydrophobicContact CB-SD 3.91Å; A572-Y580 HydrophobicContact CB-CE2 4.49Å
573	R	95	Very high	96.4	Very high	61 Å²	61	17.8 Å²	17.8	23%	0.23	9%	0.086	C	C	.	.			trans	-61.2	151.6	178.3	-75.9	-167	173.1	-169.3	5.5	112.2	W174 I175 E575 V576 M577 V1025	W174-R573 PolarHBondContact O-N 2Å; I175-R573 HydrophobicContact CD1-CG 4.3Å; R573-E575 VanDerWaalsContact C-N 3.26Å; R573-E575 HydrophobicContact CB-CG 4.42Å; R573-E575 VanDerWaalsContact CD-OE1 3.32Å; R573-E575 WeakPolarHBondContact CD-OE1 3.4Å; R573-E575 IonicContact NH1-OE1 3.88Å; R573-E575 PolarHBondContact O-N 3.39Å; R573-E575 VanDerWaalsContact O-N 3.15Å; R573-V576 HydrophobicContact CB-CG2 4.28Å; R573-V576 WeakPolarHBondContact O-CA 3.47Å; R573-V576 WeakPolarHBondContact O-CB 3.39Å; R573-V576 PolarHBondContact O-N 2.84Å; R573-M577 PolarHBondContact O-N 2.86Å; R573-V1025 HydrophobicContact CG-CG1 4.11Å; R573-V1025 WeakPolarHBondContact CG-O 3.25Å; R573-V1025 PolarHBondContact NE-O 2.9Å; R573-V1025 VanDerWaalsContact NE-O 3.12Å
574	P	93	Very high	96.3	Very high	30 Å²	30	17.9 Å²	17.9	20%	0.195	9%	0.086	C	C	.	.	H	α-helix	trans	-52.4	-39.8	-178	-28.8	35.9	0	0	0	114.5	V576 M577 L578 S1027	P574-V576 VanDerWaalsContact C-N 3.32Å; P574-V576 PolarHBondContact O-N 2.95Å; P574-M577 PolarHBondContact O-N 3.24Å; P574-L578 WeakPolarHBondContact O-CB 3.48Å; P574-L578 WeakPolarHBondContact O-CG 3.29Å; P574-L578 PolarHBondContact O-N 3.47Å; P574-S1027 WeakPolarHBondContact CD-OG 3.13Å
575	E	93.7	Very high	96.2	Very high	94 Å²	94	19 Å²	19	44%	0.439	9%	0.092	S	C	.	.	H	α-helix	trans	-66.9	-30.3	176.8	62.2	-88.7	-151.7	0	0	113.6	R573 L578 D579	R573-E575 VanDerWaalsContact C-N 3.26Å; R573-E575 HydrophobicContact CB-CG 4.42Å; R573-E575 VanDerWaalsContact CD-OE1 3.32Å; R573-E575 WeakPolarHBondContact CD-OE1 3.4Å; R573-E575 IonicContact NH1-OE1 3.88Å; R573-E575 PolarHBondContact O-N 3.39Å; R573-E575 VanDerWaalsContact O-N 3.15Å; E575-L578 WeakPolarHBondContact O-CB 3.4Å; E575-D579 PolarHBondContact O-N 3.41Å
576	V	96.7	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-77.1	-42	174.8	-178.4	0	0	0	0	109.9	K176 T177 A572 R573 P574 L578 D579 Y580	K176-V576 VanDerWaalsContact C-CG2 3.48Å; K176-V576 WeakPolarHBondContact O-CG2 3.49Å; T177-V576 HydrophobicContact CG2-CG2 4.42Å; A572-V576 HydrophobicContact CB-CB 4.08Å; A572-V576 HydrophobicContact CB-CG1 3.96Å; R573-V576 HydrophobicContact CB-CG2 4.28Å; R573-V576 WeakPolarHBondContact O-CA 3.47Å; R573-V576 WeakPolarHBondContact O-CB 3.39Å; R573-V576 PolarHBondContact O-N 2.84Å; P574-V576 VanDerWaalsContact C-N 3.32Å; P574-V576 PolarHBondContact O-N 2.95Å; V576-L578 PolarHBondContact O-N 3.48Å; V576-D579 WeakPolarHBondContact O-CB 3.49Å; V576-D579 PolarHBondContact O-N 2.94Å; V576-D579 VanDerWaalsContact O-N 3.1Å; V576-Y580 HydrophobicContact CG1-CD2 4.03Å; V576-Y580 HydrophobicContact CG1-CE2 3.6Å; V576-Y580 WeakPolarHBondContact O-CD2 3.43Å; V576-Y580 PolarHBondContact O-N 3.13Å
577	M	95.1	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-32.6	173.7	-68.3	-54.2	-60.9	0	0	112.6	Y504 Q507 F562 A572 R573 P574 Y580 S581	Y504-M577 HydrophobicContact CD1-CB 4.09Å; Y504-M577 HydrophobicContact CD1-CE 3.82Å; Y504-M577 HydrophobicContact CD1-CG 4.09Å; Y504-M577 HydrophobicContact CD2-CE 4.28Å; Y504-M577 HydrophobicContact CD2-CG 4.4Å; Y504-M577 HydrophobicContact CE1-CB 3.59Å; Y504-M577 HydrophobicContact CE1-CE 4.39Å; Y504-M577 HydrophobicContact CE1-CG 3.67Å; Y504-M577 HydrophobicContact CE2-CG 4.02Å; Y504-M577 HydrophobicContact CG-CE 3.76Å; Y504-M577 HydrophobicContact CG-CG 4.44Å; Q507-M577 HydrophobicContact CB-CE 4.28Å; Q507-M577 HydrophobicContact CG-CE 4.07Å; F562-M577 HydrophobicContact CE2-CE 4.18Å; F562-M577 HydrophobicContact CZ-CE 4.48Å; A572-M577 HydrophobicContact CB-CG 4.2Å; A572-M577 HydrophobicContact CB-SD 3.91Å; R573-M577 PolarHBondContact O-N 2.86Å; P574-M577 PolarHBondContact O-N 3.24Å; M577-Y580 HydrophobicContact SD-CD2 3.92Å; M577-Y580 HydrophobicContact SD-CE2 4.47Å; M577-S581 WeakPolarHBondContact O-CB 3.37Å; M577-S581 PolarHBondContact O-N 2.81Å; M577-S581 PolarHBondContact O-OG 3.32Å
578	L	94	Very high	95.9	Very high	52 Å²	52	26 Å²	26	27%	0.272	12%	0.119	S	C	.	.	H	α-helix	trans	-63	-48.7	169.8	-88.2	172.7	0	0	0	112.6	P574 E575 V576 Y580 S581 E582 Y663	P574-L578 WeakPolarHBondContact O-CB 3.48Å; P574-L578 WeakPolarHBondContact O-CG 3.29Å; P574-L578 PolarHBondContact O-N 3.47Å; E575-L578 WeakPolarHBondContact O-CB 3.4Å; V576-L578 PolarHBondContact O-N 3.48Å; L578-Y580 VanDerWaalsContact C-N 3.34Å; L578-Y580 PolarHBondContact O-N 3.22Å; L578-S581 WeakPolarHBondContact O-CB 3.4Å; L578-S581 PolarHBondContact O-N 2.92Å; L578-S581 VanDerWaalsContact O-N 3.13Å; L578-E582 PolarHBondContact O-N 3.13Å; L578-Y663 WeakPolarHBondContact CD1-OH 3.32Å; L578-Y663 HydrophobicContact CD2-CD2 4.41Å; L578-Y663 HydrophobicContact CD2-CE1 4.41Å; L578-Y663 HydrophobicContact CD2-CE2 3.33Å; L578-Y663 WeakPolarHBondContact CD2-OH 3.49Å; L578-Y663 HydrophobicContact CG-CE2 4.26Å; L578-Y663 WeakPolarHBondContact CG-OH 3.4Å
579	D	97.3	Very high	95.7	Very high	28 Å²	28	29.5 Å²	29.5	15%	0.15	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.2	177.2	66.7	0	0	0	111.8	T177 E575 V576 S581 E582 K583	T177-D579 HydrophobicContact CG2-CB 3.83Å; E575-D579 PolarHBondContact O-N 3.41Å; V576-D579 WeakPolarHBondContact O-CB 3.49Å; V576-D579 PolarHBondContact O-N 2.94Å; V576-D579 VanDerWaalsContact O-N 3.1Å; D579-S581 VanDerWaalsContact C-N 3.35Å; D579-S581 PolarHBondContact O-N 3.49Å; D579-E582 PolarHBondContact O-N 3.43Å; D579-K583 WeakPolarHBondContact O-CG 3.46Å; D579-K583 PolarHBondContact O-N 2.95Å; D579-K583 IonicContact OD1-NZ 3.38Å; D579-K583 PolarHBondContact OD1-NZ 2.9Å; D579-K583 IonicContact OD2-NZ 3.56Å; D579-K583 PolarHBondContact OD2-NZ 2.88Å
580	Y	97.3	Very high	95.5	Very high	3 Å²	3	30 Å²	30	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-43.9	172.4	-72.1	-44	0	0	0	112.7	P172 G173 L561 F562 A567 A572 V576 M577 L578 E582 K583 L584	P172-Y580 VanDerWaalsContact C-OH 3.3Å; P172-Y580 PolarHBondContact O-OH 3.29Å; G173-Y580 WeakPolarHBondContact CA-OH 3.45Å; G173-Y580 PolarHBondContact N-OH 2.71Å; G173-Y580 PolarHBondContact O-OH 3.27Å; L561-Y580 HydrophobicContact CD1-CE1 4.31Å; L561-Y580 HydrophobicContact CD2-CD1 4.34Å; L561-Y580 HydrophobicContact CD2-CE1 4.06Å; L561-Y580 HydrophobicContact CG-CD1 4.4Å; L561-Y580 HydrophobicContact CG-CE1 3.85Å; F562-Y580 HydrophobicContact CD2-CD1 4.24Å; F562-Y580 HydrophobicContact CD2-CD2 4.3Å; F562-Y580 AromaticContact CD2-CG 3.88Å; F562-Y580 HydrophobicContact CD2-CG 3.88Å; F562-Y580 HydrophobicContact CE2-CD2 4.33Å; F562-Y580 HydrophobicContact CE2-CG 4.21Å; A567-Y580 HydrophobicContact CB-CD2 3.97Å; A567-Y580 HydrophobicContact CB-CE1 4.12Å; A567-Y580 HydrophobicContact CB-CE2 3.42Å; A567-Y580 VanDerWaalsContact CB-CE2 3.42Å; A567-Y580 HydrophobicContact CB-CG 4.49Å; A572-Y580 HydrophobicContact CB-CE2 4.49Å; V576-Y580 HydrophobicContact CG1-CD2 4.03Å; V576-Y580 HydrophobicContact CG1-CE2 3.6Å; V576-Y580 WeakPolarHBondContact O-CD2 3.43Å; V576-Y580 PolarHBondContact O-N 3.13Å; M577-Y580 HydrophobicContact SD-CD2 3.92Å; M577-Y580 HydrophobicContact SD-CE2 4.47Å; L578-Y580 VanDerWaalsContact C-N 3.34Å; L578-Y580 PolarHBondContact O-N 3.22Å; Y580-E582 VanDerWaalsContact C-N 3.33Å; Y580-E582 PolarHBondContact O-N 2.81Å; Y580-K583 PolarHBondContact O-N 3.23Å; Y580-L584 WeakPolarHBondContact O-CG 3.38Å; Y580-L584 PolarHBondContact O-N 2.79Å
581	S	94.9	Very high	95.6	Very high	1 Å²	1	30 Å²	30	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-43.6	178.7	-55.3	0	0	0	0	111.4	Q507 M577 L578 D579 K583 L584 L585 N662	Q507-S581 VanDerWaalsContact CG-OG 3.25Å; Q507-S581 WeakPolarHBondContact CG-OG 3.33Å; Q507-S581 PolarHBondContact NE2-OG 3.38Å; M577-S581 WeakPolarHBondContact O-CB 3.37Å; M577-S581 PolarHBondContact O-N 2.81Å; M577-S581 PolarHBondContact O-OG 3.32Å; L578-S581 WeakPolarHBondContact O-CB 3.4Å; L578-S581 PolarHBondContact O-N 2.92Å; L578-S581 VanDerWaalsContact O-N 3.13Å; D579-S581 VanDerWaalsContact C-N 3.35Å; D579-S581 PolarHBondContact O-N 3.49Å; S581-K583 PolarHBondContact O-N 2.68Å; S581-L584 PolarHBondContact O-N 2.82Å; S581-L585 VanDerWaalsContact O-CG 3.3Å; S581-L585 WeakPolarHBondContact O-CG 3.4Å; S581-L585 PolarHBondContact O-N 3.39Å; S581-N662 WeakPolarHBondContact CB-OD1 3.22Å
582	E	95.7	Very high	95.5	Very high	78 Å²	78	31.2 Å²	31.2	36%	0.364	15%	0.146	S	C	.	.	H	α-helix	trans	-62.5	-42.4	175.5	-70.6	-175	-167.8	0	0	112.3	L578 D579 Y580 L585 R586	L578-E582 PolarHBondContact O-N 3.13Å; D579-E582 PolarHBondContact O-N 3.43Å; Y580-E582 VanDerWaalsContact C-N 3.33Å; Y580-E582 PolarHBondContact O-N 2.81Å; E582-L585 PolarHBondContact O-N 3.18Å; E582-R586 VanDerWaalsContact O-CG 3.32Å; E582-R586 WeakPolarHBondContact O-CG 3.17Å; E582-R586 PolarHBondContact O-N 3.32Å; E582-R586 IonicContact OE2-NH2 3.52Å; E582-R586 PolarHBondContact OE2-NH2 2.92Å
583	K	97.8	Very high	95.3	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-41.6	177	-73.8	179.6	166.2	83	0	112.1	E179 N558 L561 D579 Y580 S581 R586 A587	E179-K583 VanDerWaalsContact OE1-CE 3.23Å; E179-K583 WeakPolarHBondContact OE1-CE 3.48Å; E179-K583 IonicContact OE1-NZ 2.99Å; E179-K583 PolarHBondContact OE1-NZ 3.06Å; E179-K583 IonicContact OE2-NZ 3.38Å; E179-K583 PolarHBondContact OE2-NZ 3.3Å; N558-K583 PolarHBondContact ND2-O 2.98Å; L561-K583 HydrophobicContact CD2-CD 3.77Å; D579-K583 WeakPolarHBondContact O-CG 3.46Å; D579-K583 PolarHBondContact O-N 2.95Å; D579-K583 IonicContact OD1-NZ 3.38Å; D579-K583 PolarHBondContact OD1-NZ 2.9Å; D579-K583 IonicContact OD2-NZ 3.56Å; D579-K583 PolarHBondContact OD2-NZ 2.88Å; Y580-K583 PolarHBondContact O-N 3.23Å; S581-K583 PolarHBondContact O-N 2.68Å; K583-R586 PolarHBondContact O-N 3.48Å; K583-A587 WeakPolarHBondContact O-CB 3.39Å; K583-A587 PolarHBondContact O-N 3.37Å
584	L	97.3	Very high	95.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-46.4	174.5	-72.4	174.1	0	0	0	111.7	L510 L514 F562 Y580 S581 A587 V588	L510-L584 HydrophobicContact CB-CD1 4.07Å; L514-L584 HydrophobicContact CD2-CD2 3.53Å; F562-L584 HydrophobicContact CB-CD2 3.87Å; F562-L584 HydrophobicContact CB-CG 4.43Å; F562-L584 HydrophobicContact CD1-CD1 3.76Å; F562-L584 HydrophobicContact CD1-CD2 4.03Å; F562-L584 HydrophobicContact CD1-CG 4.4Å; F562-L584 HydrophobicContact CD2-CD1 4Å; F562-L584 HydrophobicContact CD2-CG 4.47Å; F562-L584 HydrophobicContact CE1-CD1 3.85Å; F562-L584 HydrophobicContact CE2-CD1 4.12Å; F562-L584 HydrophobicContact CG-CD1 3.84Å; F562-L584 HydrophobicContact CG-CD2 3.95Å; F562-L584 HydrophobicContact CG-CG 4.17Å; F562-L584 HydrophobicContact CZ-CD1 4.06Å; Y580-L584 WeakPolarHBondContact O-CG 3.38Å; Y580-L584 PolarHBondContact O-N 2.79Å; S581-L584 PolarHBondContact O-N 2.82Å; L584-A587 WeakPolarHBondContact O-CB 3.44Å; L584-A587 PolarHBondContact O-N 2.9Å; L584-A587 VanDerWaalsContact O-N 3.15Å; L584-V588 WeakPolarHBondContact O-CG2 3.24Å; L584-V588 PolarHBondContact O-N 3.26Å
585	L	95.4	Very high	95.5	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-46.2	178.2	-70.9	173.1	0	0	0	111.8	L510 S581 E582 A587 V588 D589 L660 N662	L510-L585 HydrophobicContact CD1-CD2 4.17Å; L510-L585 HydrophobicContact CD1-CG 4.34Å; L510-L585 HydrophobicContact CD2-CD2 4.14Å; S581-L585 VanDerWaalsContact O-CG 3.3Å; S581-L585 WeakPolarHBondContact O-CG 3.4Å; S581-L585 PolarHBondContact O-N 3.39Å; E582-L585 PolarHBondContact O-N 3.18Å; L585-A587 PolarHBondContact O-N 3.37Å; L585-V588 PolarHBondContact O-N 2.94Å; L585-V588 VanDerWaalsContact O-N 3.16Å; L585-D589 PolarHBondContact O-N 2.86Å; L585-L660 HydrophobicContact CD2-CB 3.47Å; L585-L660 VanDerWaalsContact CD2-CB 3.47Å; L585-N662 WeakPolarHBondContact CD1-OD1 3.4Å
586	R	95.4	Very high	95.5	Very high	147 Å²	147	23.2 Å²	23.2	56%	0.555	11%	0.108	S	C	*	.	H	α-helix	trans	-59	-37.8	174.2	-71.2	177.9	-163.5	160.8	13.2	112	E582 K583 A590	E582-R586 VanDerWaalsContact O-CG 3.32Å; E582-R586 WeakPolarHBondContact O-CG 3.17Å; E582-R586 PolarHBondContact O-N 3.32Å; E582-R586 IonicContact OE2-NH2 3.52Å; E582-R586 PolarHBondContact OE2-NH2 2.92Å; K583-R586 PolarHBondContact O-N 3.48Å; R586-A590 WeakPolarHBondContact O-CB 3.34Å; R586-A590 PolarHBondContact O-N 3.22Å
587	A	97.9	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.1	-41	176.5	0	0	0	0	0	111.9	L514 V555 N558 K583 L584 L585 D589 A590 A591	L514-A587 HydrophobicContact CD1-CB 3.68Å; L514-A587 HydrophobicContact CD2-CB 3.66Å; L514-A587 HydrophobicContact CG-CB 4.33Å; V555-A587 WeakPolarHBondContact CG2-O 3.43Å; N558-A587 HydrophobicContact CB-CB 3.76Å; K583-A587 WeakPolarHBondContact O-CB 3.39Å; K583-A587 PolarHBondContact O-N 3.37Å; L584-A587 WeakPolarHBondContact O-CB 3.44Å; L584-A587 PolarHBondContact O-N 2.9Å; L584-A587 VanDerWaalsContact O-N 3.15Å; L585-A587 PolarHBondContact O-N 3.37Å; A587-D589 PolarHBondContact O-N 3.41Å; A587-A590 PolarHBondContact O-N 2.78Å; A587-A591 WeakPolarHBondContact O-CB 3.3Å; A587-A591 PolarHBondContact O-N 2.69Å
588	V	95.8	Very high	95.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-45.8	174.2	173	0	0	0	0	110.7	I513 L514 L584 L585 A590 A591 R592 L660	I513-V588 HydrophobicContact CG2-CG1 4.5Å; I513-V588 HydrophobicContact CG2-CG2 4.3Å; L514-V588 HydrophobicContact CB-CG2 4.11Å; L514-V588 HydrophobicContact CD1-CB 4.47Å; L514-V588 HydrophobicContact CD1-CG2 3.83Å; L584-V588 WeakPolarHBondContact O-CG2 3.24Å; L584-V588 PolarHBondContact O-N 3.26Å; L585-V588 PolarHBondContact O-N 2.94Å; L585-V588 VanDerWaalsContact O-N 3.16Å; V588-A590 VanDerWaalsContact C-N 3.34Å; V588-A590 PolarHBondContact O-N 2.65Å; V588-A591 PolarHBondContact O-N 3.5Å; V588-R592 HydrophobicContact CG1-CG 4.33Å; V588-R592 WeakPolarHBondContact O-CB 3.46Å; V588-R592 WeakPolarHBondContact O-CG 3.41Å; V588-R592 PolarHBondContact O-N 2.93Å; V588-L660 HydrophobicContact CG1-CD1 4.02Å; V588-L660 HydrophobicContact CG2-CD1 4.37Å
589	D	92.3	Very high	95.3	Very high	75 Å²	75	20.8 Å²	20.8	40%	0.401	10%	0.095	S	C	.	.	H	α-helix	trans	-60.2	-43.3	175.8	-84.2	-44.4	0	0	0	112.1	L585 A587 R592 K593 K641	L585-D589 PolarHBondContact O-N 2.86Å; A587-D589 PolarHBondContact O-N 3.41Å; D589-R592 PolarHBondContact O-N 3.24Å; D589-K593 PolarHBondContact O-N 3.41Å; D589-K641 IonicContact OD1-NZ 2.96Å; D589-K641 PolarHBondContact OD1-NZ 3.36Å
590	A	94.8	Very high	95.1	Very high	10 Å²	10	19.5 Å²	19.5	8%	0.083	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-42.3	176.8	0	0	0	0	0	112.4	N551 V555 R586 A587 V588 K593 V594	N551-A590 HydrophobicContact CB-CB 4.28Å; V555-A590 HydrophobicContact CG2-CB 3.77Å; R586-A590 WeakPolarHBondContact O-CB 3.34Å; R586-A590 PolarHBondContact O-N 3.22Å; A587-A590 PolarHBondContact O-N 2.78Å; V588-A590 VanDerWaalsContact C-N 3.34Å; V588-A590 PolarHBondContact O-N 2.65Å; A590-K593 PolarHBondContact O-N 3.18Å; A590-V594 WeakPolarHBondContact O-CG2 3.29Å; A590-V594 PolarHBondContact O-N 3.04Å
591	A	96.8	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-48.4	176.4	0	0	0	0	0	111	E517 V555 A587 V588 K593 V594 I595	E517-A591 HydrophobicContact CB-CB 3.84Å; V555-A591 HydrophobicContact CG1-CB 4.1Å; V555-A591 HydrophobicContact CG2-CB 3.84Å; A587-A591 WeakPolarHBondContact O-CB 3.3Å; A587-A591 PolarHBondContact O-N 2.69Å; V588-A591 PolarHBondContact O-N 3.5Å; A591-K593 VanDerWaalsContact C-N 3.27Å; A591-K593 PolarHBondContact O-N 3.24Å; A591-V594 WeakPolarHBondContact O-CB 3.33Å; A591-V594 PolarHBondContact O-N 3.23Å; A591-I595 VanDerWaalsContact O-CG1 3.3Å; A591-I595 WeakPolarHBondContact O-CG1 3.23Å; A591-I595 PolarHBondContact O-N 2.87Å
592	R	93.7	Very high	94.7	Very high	26 Å²	26	19.3 Å²	19.3	10%	0.098	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-33.4	178.6	-72.6	174.6	174.2	-177.5	-3	112.8	E517 V588 D589 T596 D658	E517-R592 IonicContact OE1-CZ 3.49Å; E517-R592 IonicContact OE1-NE 3.59Å; E517-R592 PolarHBondContact OE1-NE 3.24Å; E517-R592 IonicContact OE1-NH2 2.67Å; V588-R592 HydrophobicContact CG1-CG 4.33Å; V588-R592 WeakPolarHBondContact O-CB 3.46Å; V588-R592 WeakPolarHBondContact O-CG 3.41Å; V588-R592 PolarHBondContact O-N 2.93Å; D589-R592 PolarHBondContact O-N 3.24Å; R592-T596 WeakPolarHBondContact O-CB 3.33Å; R592-T596 PolarHBondContact O-N 2.58Å; R592-T596 PolarHBondContact O-OG1 2.9Å; R592-D658 PolarHBondContact NH1-O 3.34Å; R592-D658 PolarHBondContact NH2-O 3.48Å; R592-D658 VanDerWaalsContact NH2-O 3.11Å
593	K	92	Very high	94.5	Very high	16 Å²	16	15.6 Å²	15.6	7%	0.07	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-49.2	171.1	177.6	173.3	171.6	-169.7	0	111.5	D589 A590 A591 I595 T596 I597 Y638 E639	D589-K593 PolarHBondContact O-N 3.41Å; A590-K593 PolarHBondContact O-N 3.18Å; A591-K593 VanDerWaalsContact C-N 3.27Å; A591-K593 PolarHBondContact O-N 3.24Å; K593-I595 VanDerWaalsContact C-N 3.35Å; K593-I595 PolarHBondContact O-N 3.29Å; K593-T596 PolarHBondContact O-N 3.28Å; K593-I597 HydrophobicContact CG-CD1 3.75Å; K593-I597 WeakPolarHBondContact O-CG1 3.32Å; K593-I597 PolarHBondContact O-N 3.13Å; K593-Y638 HydrophobicContact CB-CD1 4.04Å; K593-Y638 HydrophobicContact CB-CE1 4.42Å; K593-Y638 HydrophobicContact CG-CD1 4.07Å; K593-Y638 HydrophobicContact CG-CG 4.39Å; K593-E639 IonicContact NZ-OE1 3.86Å; K593-E639 PolarHBondContact NZ-OE1 2.94Å; K593-E639 IonicContact NZ-OE2 3.98Å; K593-E639 PolarHBondContact NZ-OE2 2.9Å
594	V	95.3	Very high	94.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177.4	176.9	0	0	0	0	110.9	A521 Y525 L548 N551 L552 A590 A591 T596 S598	A521-V594 HydrophobicContact CB-CB 4.16Å; A521-V594 HydrophobicContact CB-CG1 4.03Å; Y525-V594 HydrophobicContact CD2-CG1 4.27Å; L548-V594 HydrophobicContact CB-CG2 4.27Å; N551-V594 HydrophobicContact CB-CG2 3.53Å; L552-V594 HydrophobicContact CD2-CB 4.45Å; L552-V594 HydrophobicContact CD2-CG1 4Å; L552-V594 HydrophobicContact CD2-CG2 4.29Å; L552-V594 HydrophobicContact CG-CG1 4.17Å; L552-V594 HydrophobicContact CG-CG2 4.21Å; A590-V594 WeakPolarHBondContact O-CG2 3.29Å; A590-V594 PolarHBondContact O-N 3.04Å; A591-V594 WeakPolarHBondContact O-CB 3.33Å; A591-V594 PolarHBondContact O-N 3.23Å; V594-T596 PolarHBondContact O-N 3.49Å; V594-S598 WeakPolarHBondContact O-CB 3.46Å; V594-S598 PolarHBondContact O-N 3.45Å; V594-S598 PolarHBondContact O-OG 3.16Å
595	I	96.3	Very high	93.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-50	177.9	-69.7	170.4	0	0	0	110.6	E517 T520 A521 L524 A591 K593 S599 F1075	E517-I595 HydrophobicContact CB-CD1 4.41Å; E517-I595 WeakPolarHBondContact O-CD1 3.49Å; E517-I595 WeakPolarHBondContact OE2-CD1 3.48Å; T520-I595 HydrophobicContact CG2-CD1 3.98Å; T520-I595 HydrophobicContact CG2-CG1 4.05Å; T520-I595 HydrophobicContact CG2-CG2 4.34Å; A521-I595 HydrophobicContact CB-CD1 4.3Å; A521-I595 HydrophobicContact CB-CG1 3.74Å; L524-I595 HydrophobicContact CD1-CB 4.25Å; L524-I595 HydrophobicContact CD1-CG1 4.33Å; L524-I595 HydrophobicContact CD1-CG2 3.77Å; A591-I595 VanDerWaalsContact O-CG1 3.3Å; A591-I595 WeakPolarHBondContact O-CG1 3.23Å; A591-I595 PolarHBondContact O-N 2.87Å; K593-I595 VanDerWaalsContact C-N 3.35Å; K593-I595 PolarHBondContact O-N 3.29Å; I595-S599 WeakPolarHBondContact O-CB 3.37Å; I595-S599 PolarHBondContact O-N 3.33Å; I595-S599 PolarHBondContact O-OG 2.87Å; I595-F1075 HydrophobicContact CG2-CE1 3.75Å; I595-F1075 HydrophobicContact CG2-CZ 3.47Å; I595-F1075 VanDerWaalsContact CG2-CZ 3.47Å
596	T	93.5	Very high	92.9	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-67	-47.3	-174.1	-54.9	0	0	0	0	111.6	R592 K593 V594 S599 A600 Y638 F653	R592-T596 WeakPolarHBondContact O-CB 3.33Å; R592-T596 PolarHBondContact O-N 2.58Å; R592-T596 PolarHBondContact O-OG1 2.9Å; K593-T596 PolarHBondContact O-N 3.28Å; V594-T596 PolarHBondContact O-N 3.49Å; T596-S599 PolarHBondContact O-N 3.01Å; T596-A600 WeakPolarHBondContact O-CB 3.38Å; T596-A600 PolarHBondContact O-N 3.15Å; T596-Y638 WeakPolarHBondContact CB-OH 3.44Å; T596-Y638 HydrophobicContact CG2-CE2 3.64Å; T596-Y638 WeakPolarHBondContact CG2-OH 3.24Å; T596-Y638 PolarHBondContact OG1-OH 3.42Å; T596-F653 HydrophobicContact CG2-CD1 3.52Å; T596-F653 HydrophobicContact CG2-CE1 3.76Å; T596-F653 HydrophobicContact CG2-CG 4.48Å
597	I	92.3	Very high	92.1	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-66.8	-42.2	-179.2	-64.5	170	0	0	0	110.7	L548 K593 A600 Y601 N635	L548-I597 HydrophobicContact CD1-CB 4.14Å; L548-I597 HydrophobicContact CD1-CG2 3.84Å; L548-I597 HydrophobicContact CD2-CB 4.49Å; L548-I597 HydrophobicContact CD2-CD1 3.8Å; K593-I597 HydrophobicContact CG-CD1 3.75Å; K593-I597 WeakPolarHBondContact O-CG1 3.32Å; K593-I597 PolarHBondContact O-N 3.13Å; I597-A600 PolarHBondContact O-N 3.02Å; I597-Y601 PolarHBondContact O-N 2.85Å; I597-N635 HydrophobicContact CD1-CB 4.31Å
598	S	94.6	Very high	90.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.7	-41.7	176.1	-58.1	0	0	0	0	111.4	T528 V594 Y601 L602	T528-S598 WeakPolarHBondContact OG1-CB 3.32Å; T528-S598 PolarHBondContact OG1-O 3.02Å; V594-S598 WeakPolarHBondContact O-CB 3.46Å; V594-S598 PolarHBondContact O-N 3.45Å; V594-S598 PolarHBondContact O-OG 3.16Å; S598-Y601 PolarHBondContact O-N 3.27Å; S598-L602 WeakPolarHBondContact O-CD1 3.42Å; S598-L602 VanDerWaalsContact O-CG 3.24Å; S598-L602 WeakPolarHBondContact O-CG 3.4Å; S598-L602 PolarHBondContact O-N 3.24Å
599	S	95.8	Very high	89.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-47.5	175.9	-61.1	0	0	0	0	111.8	I595 T596 Y601 L602 L603 F763	I595-S599 WeakPolarHBondContact O-CB 3.37Å; I595-S599 PolarHBondContact O-N 3.33Å; I595-S599 PolarHBondContact O-OG 2.87Å; T596-S599 PolarHBondContact O-N 3.01Å; S599-Y601 VanDerWaalsContact C-N 3.31Å; S599-Y601 PolarHBondContact O-N 3.43Å; S599-L602 PolarHBondContact O-N 2.97Å; S599-L603 WeakPolarHBondContact O-CB 3.49Å; S599-L603 VanDerWaalsContact O-CG 3.28Å; S599-L603 WeakPolarHBondContact O-CG 3.45Å; S599-L603 PolarHBondContact O-N 2.9Å; S599-F763 WeakPolarHBondContact OG-CE1 3.15Å; S599-F763 VanDerWaalsContact OG-CZ 3.3Å; S599-F763 WeakPolarHBondContact OG-CZ 3.39Å
600	A	92.8	Very high	88.7	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.6	-44	177.2	0	0	0	0	0	111.5	T596 I597 L603 L604 L631 L634 F653 F1086	T596-A600 WeakPolarHBondContact O-CB 3.38Å; T596-A600 PolarHBondContact O-N 3.15Å; I597-A600 PolarHBondContact O-N 3.02Å; A600-L603 PolarHBondContact O-N 3.27Å; A600-L604 WeakPolarHBondContact O-CB 3.36Å; A600-L604 WeakPolarHBondContact O-CD1 3.28Å; A600-L604 VanDerWaalsContact O-CG 3.24Å; A600-L604 WeakPolarHBondContact O-CG 3.37Å; A600-L604 PolarHBondContact O-N 3.01Å; A600-L604 VanDerWaalsContact O-N 3.11Å; A600-L631 HydrophobicContact CB-CD2 4.19Å; A600-L634 HydrophobicContact CB-CD1 3.71Å; A600-F653 HydrophobicContact CB-CD1 3.85Å; A600-F653 HydrophobicContact CB-CE1 3.98Å; A600-F1086 HydrophobicContact CB-CZ 4.12Å
601	Y	90.7	Very high	87.1	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.8	-51.3	175.5	177.1	-84.5	0	0	0	111.7	T528 V532 L541 I597 S598 S599 L603 L604 L605 F627 L631	T528-Y601 HydrophobicContact CG2-CD1 3.57Å; T528-Y601 HydrophobicContact CG2-CD2 4.41Å; T528-Y601 HydrophobicContact CG2-CE1 4.14Å; T528-Y601 HydrophobicContact CG2-CG 3.74Å; V532-Y601 HydrophobicContact CG2-CD2 4.3Å; V532-Y601 HydrophobicContact CG2-CE1 3.89Å; V532-Y601 HydrophobicContact CG2-CE2 3.51Å; V532-Y601 VanDerWaalsContact CG2-OH 3.22Å; V532-Y601 WeakPolarHBondContact CG2-OH 3.46Å; L541-Y601 HydrophobicContact CD1-CE2 4.29Å; I597-Y601 PolarHBondContact O-N 2.85Å; S598-Y601 PolarHBondContact O-N 3.27Å; S599-Y601 VanDerWaalsContact C-N 3.31Å; S599-Y601 PolarHBondContact O-N 3.43Å; Y601-L603 VanDerWaalsContact C-N 3.34Å; Y601-L603 PolarHBondContact O-N 3.23Å; Y601-L604 PolarHBondContact O-N 3.04Å; Y601-L605 HydrophobicContact CE1-CD1 4.31Å; Y601-L605 HydrophobicContact CE1-CD2 4.3Å; Y601-L605 PolarHBondContact O-N 3.49Å; Y601-F627 AromaticContact CD2-CZ 3.83Å; Y601-F627 HydrophobicContact CD2-CZ 3.83Å; Y601-F627 HydrophobicContact CE2-CE1 4.38Å; Y601-F627 AromaticContact CE2-CZ 3.91Å; Y601-F627 HydrophobicContact CE2-CZ 3.91Å; Y601-L631 HydrophobicContact CD2-CD1 3.74Å
602	L	92.1	Very high	84.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-38.7	-176.7	-68.4	165.3	0	0	0	111.9	L524 S598 S599 L604 L605 P606 F763 Y1090 L1092	L524-L602 HydrophobicContact CD2-CD1 3.82Å; S598-L602 WeakPolarHBondContact O-CD1 3.42Å; S598-L602 VanDerWaalsContact O-CG 3.24Å; S598-L602 WeakPolarHBondContact O-CG 3.4Å; S598-L602 PolarHBondContact O-N 3.24Å; S599-L602 PolarHBondContact O-N 2.97Å; L602-L604 VanDerWaalsContact C-N 3.32Å; L602-L604 PolarHBondContact O-N 2.94Å; L602-L605 PolarHBondContact O-N 3.03Å; L602-P606 WeakPolarHBondContact O-CD 3.44Å; L602-F763 HydrophobicContact CD1-CE2 4.38Å; L602-Y1090 HydrophobicContact CB-CD1 4.04Å; L602-Y1090 HydrophobicContact CB-CE1 3.74Å; L602-Y1090 HydrophobicContact CD2-CE1 3.83Å; L602-Y1090 HydrophobicContact CG-CE1 4.26Å; L602-L1092 HydrophobicContact CD1-CD2 4.08Å; L602-L1092 HydrophobicContact CD2-CD2 4.4Å
603	L	93	Very high	83.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.5	-25.6	176.7	-70.6	171.9	0	0	0	113.6	S599 A600 Y601 F653 Y689 F763 F1086 V1087	S599-L603 WeakPolarHBondContact O-CB 3.49Å; S599-L603 VanDerWaalsContact O-CG 3.28Å; S599-L603 WeakPolarHBondContact O-CG 3.45Å; S599-L603 PolarHBondContact O-N 2.9Å; A600-L603 PolarHBondContact O-N 3.27Å; Y601-L603 VanDerWaalsContact C-N 3.34Å; Y601-L603 PolarHBondContact O-N 3.23Å; L603-F653 HydrophobicContact CD1-CZ 4.11Å; L603-Y689 HydrophobicContact CD1-CD1 3.79Å; L603-Y689 HydrophobicContact CD1-CE1 4.15Å; L603-Y689 HydrophobicContact CD1-CG 4.01Å; L603-Y689 HydrophobicContact CD2-CD1 3.9Å; L603-Y689 HydrophobicContact CD2-CE1 3.92Å; L603-F763 HydrophobicContact CD1-CD1 4.25Å; L603-F763 HydrophobicContact CD2-CB 3.7Å; L603-F763 HydrophobicContact CD2-CD1 4.22Å; L603-F763 HydrophobicContact CD2-CD2 4.38Å; L603-F763 HydrophobicContact CD2-CG 3.85Å; L603-F763 HydrophobicContact CG-CD1 4.37Å; L603-F763 HydrophobicContact CG-CG 4.35Å; L603-F1086 HydrophobicContact CB-CB 4.29Å; L603-F1086 HydrophobicContact CB-CD1 4.3Å; L603-F1086 HydrophobicContact CB-CD2 4.18Å; L603-F1086 HydrophobicContact CB-CG 4.01Å; L603-F1086 HydrophobicContact CD1-CD2 3.87Å; L603-F1086 HydrophobicContact CD1-CE2 4.1Å; L603-V1087 HydrophobicContact CD2-CG2 4.28Å; L603-V1087 WeakPolarHBondContact O-CG2 3.29Å; L603-V1087 PolarHBondContact O-N 3.37Å
604	L	88.9	Confident	81.3	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-86.8	-25.2	176.2	-73.8	163.9	0	0	0	112.5	A600 Y601 L602 S607 M608 F627 T630 L631 L1085 F1086	A600-L604 WeakPolarHBondContact O-CB 3.36Å; A600-L604 WeakPolarHBondContact O-CD1 3.28Å; A600-L604 VanDerWaalsContact O-CG 3.24Å; A600-L604 WeakPolarHBondContact O-CG 3.37Å; A600-L604 PolarHBondContact O-N 3.01Å; A600-L604 VanDerWaalsContact O-N 3.11Å; Y601-L604 PolarHBondContact O-N 3.04Å; L602-L604 VanDerWaalsContact C-N 3.32Å; L602-L604 PolarHBondContact O-N 2.94Å; L604-S607 PolarHBondContact O-N 3.46Å; L604-S607 PolarHBondContact O-OG 3.27Å; L604-M608 WeakPolarHBondContact O-CG 3.47Å; L604-M608 PolarHBondContact O-N 2.82Å; L604-F627 HydrophobicContact CB-CD2 3.76Å; L604-F627 HydrophobicContact CB-CE2 3.32Å; L604-F627 HydrophobicContact CB-CZ 4.4Å; L604-F627 HydrophobicContact CD1-CD2 3.62Å; L604-F627 HydrophobicContact CD1-CE2 3.44Å; L604-F627 VanDerWaalsContact CD1-CE2 3.44Å; L604-F627 HydrophobicContact CD2-CD2 4.33Å; L604-F627 HydrophobicContact CG-CD2 4.1Å; L604-F627 HydrophobicContact CG-CE2 3.92Å; L604-T630 HydrophobicContact CD1-CG2 4.26Å; L604-L631 HydrophobicContact CD1-CD2 4.1Å; L604-L631 HydrophobicContact CD1-CG 4.3Å; L604-L1085 HydrophobicContact CD2-CB 3.56Å; L604-L1085 HydrophobicContact CD2-CD1 4.4Å; L604-F1086 HydrophobicContact CD1-CD1 4.43Å; L604-F1086 HydrophobicContact CD1-CE1 3.78Å; L604-F1086 HydrophobicContact CD2-CD1 3.51Å; L604-F1086 HydrophobicContact CD2-CE1 3.64Å; L604-F1086 HydrophobicContact CG-CD1 3.62Å; L604-F1086 HydrophobicContact CG-CE1 3.47Å; L604-F1086 VanDerWaalsContact CG-CE1 3.47Å
605	L	85	Confident	79.1	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-45.2	-170.1	-178.4	65	0	0	0	114.7	I535 Y601 L602 M608 L609	I535-L605 HydrophobicContact CD1-CD1 3.7Å; Y601-L605 HydrophobicContact CE1-CD1 4.31Å; Y601-L605 HydrophobicContact CE1-CD2 4.3Å; Y601-L605 PolarHBondContact O-N 3.49Å; L602-L605 PolarHBondContact O-N 3.03Å; L605-M608 WeakPolarHBondContact O-CB 3.39Å; L605-M608 PolarHBondContact O-N 2.94Å; L605-L609 HydrophobicContact CD1-CD1 4.46Å; L605-L609 HydrophobicContact CD1-CG 4.47Å; L605-L609 HydrophobicContact CG-CD1 4.29Å; L605-L609 PolarHBondContact O-N 3.46Å
606	P	83	Confident	76.9	Confident	33 Å²	33	39 Å²	39	21%	0.214	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-35.1	-177.3	-17.7	31.1	0	0	0	114	L602 M608 L609 K610 V1087 Y1090	L602-P606 WeakPolarHBondContact O-CD 3.44Å; P606-M608 PolarHBondContact O-N 2.97Å; P606-L609 PolarHBondContact O-N 3.38Å; P606-K610 WeakPolarHBondContact O-CG 3.14Å; P606-K610 PolarHBondContact O-N 2.89Å; P606-K610 VanDerWaalsContact O-N 3.11Å; P606-V1087 HydrophobicContact CB-CG1 3.77Å; P606-V1087 HydrophobicContact CG-CG1 3.83Å; P606-V1087 HydrophobicContact CG-CG2 4Å; P606-Y1090 HydrophobicContact CG-CD2 3.66Å; P606-Y1090 HydrophobicContact CG-CE2 3.64Å
607	S	78.5	Confident	75.1	Confident	36 Å²	36	45.7 Å²	45.7	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-32.5	177.2	59.1	0	0	0	0	110.8	L604 S611 L1085	L604-S607 PolarHBondContact O-N 3.46Å; L604-S607 PolarHBondContact O-OG 3.27Å; S607-S611 PolarHBondContact O-N 3.49Å; S607-L1085 WeakPolarHBondContact CB-O 3.18Å; S607-L1085 PolarHBondContact OG-O 3.41Å
608	M	72.2	Confident	72.9	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-47.7	170.6	-65.2	-170.8	81.1	0	0	114.4	V538 L604 L605 P606 K610 S611 D612 V623 F627	V538-M608 HydrophobicContact CG1-CE 4.03Å; V538-M608 HydrophobicContact CG1-SD 4.31Å; L604-M608 WeakPolarHBondContact O-CG 3.47Å; L604-M608 PolarHBondContact O-N 2.82Å; L605-M608 WeakPolarHBondContact O-CB 3.39Å; L605-M608 PolarHBondContact O-N 2.94Å; P606-M608 PolarHBondContact O-N 2.97Å; M608-K610 PolarHBondContact O-N 3.12Å; M608-S611 PolarHBondContact O-N 3.08Å; M608-S611 VanDerWaalsContact O-N 3.11Å; M608-S611 PolarHBondContact O-OG 2.97Å; M608-D612 PolarHBondContact O-N 3.49Å; M608-V623 HydrophobicContact CE-CB 4Å; M608-V623 HydrophobicContact CE-CG1 3.27Å; M608-V623 HydrophobicContact CE-CG2 3.62Å; M608-F627 HydrophobicContact CE-CB 3.7Å; M608-F627 HydrophobicContact CE-CD1 3.14Å; M608-F627 HydrophobicContact CE-CD2 4.14Å; M608-F627 HydrophobicContact CE-CE1 3.54Å; M608-F627 HydrophobicContact CE-CG 3.4Å; M608-F627 HydrophobicContact CE-CZ 4.27Å; M608-F627 HydrophobicContact CG-CD2 4.1Å; M608-F627 HydrophobicContact CG-CE2 4.44Å; M608-F627 HydrophobicContact CG-CG 4.2Å; M608-F627 HydrophobicContact SD-CB 4.05Å; M608-F627 HydrophobicContact SD-CD1 3.24Å; M608-F627 WeakPolarHBondContact SD-CD1 3.4Å; M608-F627 HydrophobicContact SD-CD2 3.36Å; M608-F627 WeakPolarHBondContact SD-CD2 3.22Å; M608-F627 HydrophobicContact SD-CE1 3.15Å; M608-F627 WeakPolarHBondContact SD-CE1 3.24Å; M608-F627 HydrophobicContact SD-CE2 3.41Å; M608-F627 WeakPolarHBondContact SD-CE2 3.25Å; M608-F627 HydrophobicContact SD-CG 3.26Å; M608-F627 WeakPolarHBondContact SD-CG 3.35Å; M608-F627 HydrophobicContact SD-CZ 3.26Å; M608-F627 WeakPolarHBondContact SD-CZ 3.29Å
609	L	72.4	Confident	70.6	Confident	63 Å²	63	66.6 Å²	66.6	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-33.2	179.9	-73.2	173.3	0	0	0	111.5	I535 L605 P606 I613	I535-L609 HydrophobicContact CD1-CD1 4.46Å; I535-L609 HydrophobicContact CD1-CD2 4.11Å; I535-L609 HydrophobicContact CG2-CD2 4.36Å; L605-L609 HydrophobicContact CD1-CD1 4.46Å; L605-L609 HydrophobicContact CD1-CG 4.47Å; L605-L609 HydrophobicContact CG-CD1 4.29Å; L605-L609 PolarHBondContact O-N 3.46Å; P606-L609 PolarHBondContact O-N 3.38Å; L609-I613 WeakPolarHBondContact O-CD1 3.33Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.12Å; L609-I613 PolarHBondContact O-N 3.43Å; L609-I613 VanDerWaalsContact O-N 3.16Å
610	K	69.9	Low	68.1	Low	145 Å²	145	77.6 Å²	77.6	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-64.8	-47.1	172.1	-72.4	179.6	-179.4	-176.2	0	112.1	P606 M608 I613 E614	P606-K610 WeakPolarHBondContact O-CG 3.14Å; P606-K610 PolarHBondContact O-N 2.89Å; P606-K610 VanDerWaalsContact O-N 3.11Å; M608-K610 PolarHBondContact O-N 3.12Å; K610-I613 PolarHBondContact O-N 3.19Å; K610-E614 PolarHBondContact O-N 2.94Å; K610-E614 VanDerWaalsContact O-N 3.11Å
611	S	59.4	Low	65.6	Low	29 Å²	29	83.8 Å²	83.8	20%	0.203	39%	0.391	C	S	.	.	H	α-helix	trans	-65.3	-41.7	178.3	65.7	0	0	0	0	111.8	S607 M608 I613 E614 F615	S607-S611 PolarHBondContact O-N 3.49Å; M608-S611 PolarHBondContact O-N 3.08Å; M608-S611 VanDerWaalsContact O-N 3.11Å; M608-S611 PolarHBondContact O-OG 2.97Å; S611-I613 VanDerWaalsContact C-N 3.3Å; S611-I613 PolarHBondContact O-N 3.01Å; S611-E614 PolarHBondContact O-N 2.9Å; S611-E614 VanDerWaalsContact O-N 3.17Å; S611-F615 WeakPolarHBondContact O-CB 3.17Å; S611-F615 WeakPolarHBondContact O-CD2 3.42Å; S611-F615 PolarHBondContact O-N 3.19Å
612	D	52.6	Low	63.5	Low	34 Å²	34	88 Å²	88	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-58.4	-38.9	174.9	-86.1	-8.3	0	0	0	112	S537 M608 S616	S537-D612 WeakPolarHBondContact CB-OD2 3.22Å; S537-D612 PolarHBondContact OG-OD2 3.49Å; M608-D612 PolarHBondContact O-N 3.49Å; D612-S616 WeakPolarHBondContact O-CA 3.4Å; D612-S616 WeakPolarHBondContact O-CB 3.44Å; D612-S616 PolarHBondContact O-N 2.91Å
613	I	55.5	Low	61.6	Low	116 Å²	116	88.5 Å²	88.5	60%	0.595	42%	0.421	S	S	*	.	H	α-helix	trans	-65.9	-46.1	175.8	-69	165	0	0	0	110.7	L609 K610 S611 F615 S616	L609-I613 WeakPolarHBondContact O-CD1 3.33Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.12Å; L609-I613 PolarHBondContact O-N 3.43Å; L609-I613 VanDerWaalsContact O-N 3.16Å; K610-I613 PolarHBondContact O-N 3.19Å; S611-I613 VanDerWaalsContact C-N 3.3Å; S611-I613 PolarHBondContact O-N 3.01Å; I613-F615 VanDerWaalsContact C-N 3.34Å; I613-F615 PolarHBondContact O-N 2.99Å; I613-S616 PolarHBondContact O-N 3.37Å; I613-S616 PolarHBondContact O-OG 3.29Å
614	E	53.2	Low	60.1	Low	145 Å²	145	91.1 Å²	91.1	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-61.8	-39.8	176.9	-71.3	177.5	-177.6	0	0	112.4	K610 S611	K610-E614 PolarHBondContact O-N 2.94Å; K610-E614 VanDerWaalsContact O-N 3.11Å; S611-E614 PolarHBondContact O-N 2.9Å; S611-E614 VanDerWaalsContact O-N 3.17Å
615	F	49.8	Very low	59	Low	120 Å²	120	95 Å²	95	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-79.8	-25.9	177.8	-79.4	-74.2	0	0	0	113.8	S611 I613 N617 R618	S611-F615 WeakPolarHBondContact O-CB 3.17Å; S611-F615 WeakPolarHBondContact O-CD2 3.42Å; S611-F615 PolarHBondContact O-N 3.19Å; I613-F615 VanDerWaalsContact C-N 3.34Å; I613-F615 PolarHBondContact O-N 2.99Å; F615-N617 PolarHBondContact O-N 3.07Å; F615-R618 CarbonylContact O-C 3.16Å; F615-R618 WeakPolarHBondContact O-CA 3.39Å; F615-R618 PolarHBondContact O-N 3.45Å; F615-R618 VanDerWaalsContact O-O 3.05Å
616	S	49.8	Very low	58.4	Low	76 Å²	76	99 Å²	99	53%	0.531	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-26.3	178.8	71.8	0	0	0	0	112.9	D612 I613 R618	D612-S616 WeakPolarHBondContact O-CA 3.4Å; D612-S616 WeakPolarHBondContact O-CB 3.44Å; D612-S616 PolarHBondContact O-N 2.91Å; I613-S616 PolarHBondContact O-N 3.37Å; I613-S616 PolarHBondContact O-OG 3.29Å; S616-R618 PolarHBondContact O-N 2.95Å
617	N	55.1	Low	58	Low	143 Å²	143	97.6 Å²	97.6	77%	0.765	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-12	169.8	-76.8	-26.9	0	0	0	113.4	F615	F615-N617 PolarHBondContact O-N 3.07Å
618	R	46.3	Very low	57.8	Low	210 Å²	210	99.9 Å²	99.9	79%	0.792	48%	0.482	S	S	*	.	S	Bend	trans	-138.4	82.5	178.7	-67.6	-173.4	-179.2	-174.6	1.8	111.2	F615 S616	F615-R618 CarbonylContact O-C 3.16Å; F615-R618 WeakPolarHBondContact O-CA 3.39Å; F615-R618 PolarHBondContact O-N 3.45Å; F615-R618 VanDerWaalsContact O-O 3.05Å; S616-R618 PolarHBondContact O-N 2.95Å
619	R	46.9	Very low	58.1	Low	231 Å²	231	105.2 Å²	105.2	87%	0.872	51%	0.506	S	S	*	.			trans	47.7	110.8	171.3	-69.5	-175.2	-179.3	-179.1	0.9	115	L621	R619-L621 PolarHBondContact O-N 3.16Å
620	R	43.4	Very low	58.5	Low	231 Å²	231	102.8 Å²	102.8	87%	0.872	49%	0.494	S	S	*	.			trans	-35.7	96.6	173.8	-65.2	-178.9	-178.9	179.9	-0.7	113.4
621	L	39.5	Very low	59.1	Low	130 Å²	130	95.9 Å²	95.9	68%	0.681	46%	0.464	S	S	*	.			trans	-93.8	136.1	159	-81.4	161.3	0	0	0	107.3	R619	R619-L621 PolarHBondContact O-N 3.16Å
622	P	47.4	Very low	60.1	Low	89 Å²	89	97.2 Å²	97.2	58%	0.578	47%	0.471	S	S	*	.			trans	-62.4	140.8	170.7	27.7	-31.9	0	0	0	108.6
623	V	52.4	Low	61.7	Low	9 Å²	9	98.8 Å²	98.8	6%	0.055	48%	0.477	C	S	.	.	S	Bend	trans	4.4	131.7	166.5	163.4	0	0	0	0	115.8	S537 V538 M608 S625 F627	S537-V623 WeakPolarHBondContact O-CG2 3.43Å; V538-V623 HydrophobicContact CG1-CG2 3.84Å; M608-V623 HydrophobicContact CE-CB 4Å; M608-V623 HydrophobicContact CE-CG1 3.27Å; M608-V623 HydrophobicContact CE-CG2 3.62Å; V623-S625 PolarHBondContact O-N 3.5Å; V623-F627 HydrophobicContact CG1-CB 4.09Å; V623-F627 HydrophobicContact CG1-CD1 3.78Å; V623-F627 HydrophobicContact CG1-CG 4.4Å
624	S	60.1	Low	63	Low	56 Å²	56	93.4 Å²	93.4	39%	0.392	45%	0.45	S	S	.	.			trans	-44.9	122.5	174.2	81	0	0	0	0	110.4	Q626 F627	S624-Q626 PolarHBondContact O-N 3.43Å; S624-F627 PolarHBondContact O-N 3.41Å; S624-F627 PolarHBondContact OG-N 3.06Å
625	S	67.3	Low	64.4	Low	84 Å²	84	87.1 Å²	87.1	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-49.2	-32.3	177.9	46	0	0	0	0	111.4	V623 Q629	V623-S625 PolarHBondContact O-N 3.5Å; S625-Q629 VanDerWaalsContact O-CB 3.29Å; S625-Q629 WeakPolarHBondContact O-CB 3.5Å; S625-Q629 WeakPolarHBondContact O-CG 3.45Å; S625-Q629 PolarHBondContact O-N 3.48Å
626	Q	72.2	Confident	66.1	Low	90 Å²	90	84.9 Å²	84.9	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-56.6	-45.3	175	-167.6	176.6	11.3	0	0	113.8	S624 Q629 T630	S624-Q626 PolarHBondContact O-N 3.43Å; Q626-Q629 PolarHBondContact O-N 2.92Å; Q626-T630 WeakPolarHBondContact O-CB 3.29Å; Q626-T630 PolarHBondContact O-N 2.97Å; Q626-T630 PolarHBondContact O-OG1 2.93Å
627	F	73.8	Confident	67.7	Low	5 Å²	5	82 Å²	82	2%	0.022	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-48.9	-179	169.1	-108	0	0	0	112.6	V538 L541 Y601 L604 M608 V623 S624 Q629 T630 L631	V538-F627 HydrophobicContact CG1-CE1 4.21Å; L541-F627 HydrophobicContact CD1-CD1 3.82Å; L541-F627 HydrophobicContact CD1-CE1 3.13Å; L541-F627 HydrophobicContact CD1-CZ 3.96Å; Y601-F627 AromaticContact CD2-CZ 3.83Å; Y601-F627 HydrophobicContact CD2-CZ 3.83Å; Y601-F627 HydrophobicContact CE2-CE1 4.38Å; Y601-F627 AromaticContact CE2-CZ 3.91Å; Y601-F627 HydrophobicContact CE2-CZ 3.91Å; L604-F627 HydrophobicContact CB-CD2 3.76Å; L604-F627 HydrophobicContact CB-CE2 3.32Å; L604-F627 HydrophobicContact CB-CZ 4.4Å; L604-F627 HydrophobicContact CD1-CD2 3.62Å; L604-F627 HydrophobicContact CD1-CE2 3.44Å; L604-F627 VanDerWaalsContact CD1-CE2 3.44Å; L604-F627 HydrophobicContact CD2-CD2 4.33Å; L604-F627 HydrophobicContact CG-CD2 4.1Å; L604-F627 HydrophobicContact CG-CE2 3.92Å; M608-F627 HydrophobicContact CE-CB 3.7Å; M608-F627 HydrophobicContact CE-CD1 3.14Å; M608-F627 HydrophobicContact CE-CD2 4.14Å; M608-F627 HydrophobicContact CE-CE1 3.54Å; M608-F627 HydrophobicContact CE-CG 3.4Å; M608-F627 HydrophobicContact CE-CZ 4.27Å; M608-F627 HydrophobicContact CG-CD2 4.1Å; M608-F627 HydrophobicContact CG-CE2 4.44Å; M608-F627 HydrophobicContact CG-CG 4.2Å; M608-F627 HydrophobicContact SD-CB 4.05Å; M608-F627 HydrophobicContact SD-CD1 3.24Å; M608-F627 WeakPolarHBondContact SD-CD1 3.4Å; M608-F627 HydrophobicContact SD-CD2 3.36Å; M608-F627 WeakPolarHBondContact SD-CD2 3.22Å; M608-F627 HydrophobicContact SD-CE1 3.15Å; M608-F627 WeakPolarHBondContact SD-CE1 3.24Å; M608-F627 HydrophobicContact SD-CE2 3.41Å; M608-F627 WeakPolarHBondContact SD-CE2 3.25Å; M608-F627 HydrophobicContact SD-CG 3.26Å; M608-F627 WeakPolarHBondContact SD-CG 3.35Å; M608-F627 HydrophobicContact SD-CZ 3.26Å; M608-F627 WeakPolarHBondContact SD-CZ 3.29Å; V623-F627 HydrophobicContact CG1-CB 4.09Å; V623-F627 HydrophobicContact CG1-CD1 3.78Å; V623-F627 HydrophobicContact CG1-CG 4.4Å; S624-F627 PolarHBondContact O-N 3.41Å; S624-F627 PolarHBondContact OG-N 3.06Å; F627-Q629 VanDerWaalsContact C-N 3.27Å; F627-Q629 PolarHBondContact O-N 3.03Å; F627-T630 WeakPolarHBondContact O-CB 3.06Å; F627-T630 PolarHBondContact O-N 2.83Å; F627-T630 VanDerWaalsContact O-N 3.17Å; F627-L631 HydrophobicContact CD1-CD1 4.33Å; F627-L631 HydrophobicContact CD2-CD1 4.33Å; F627-L631 HydrophobicContact CD2-CG 4.45Å; F627-L631 HydrophobicContact CE1-CD1 3.67Å; F627-L631 HydrophobicContact CE2-CD1 3.52Å; F627-L631 HydrophobicContact CE2-CG 3.93Å; F627-L631 HydrophobicContact CZ-CD1 3.2Å; F627-L631 HydrophobicContact CZ-CG 4.11Å; F627-L631 PolarHBondContact O-N 2.93Å
628	K	74	Confident	68.8	Low	84 Å²	84	76.2 Å²	76.2	37%	0.365	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-43.9	176.8	177.4	175.8	-175.9	-179.7	0	110.1	L541 L631 V632	L541-K628 HydrophobicContact CD2-CB 4.3Å; L541-K628 HydrophobicContact CD2-CG 3.9Å; K628-L631 PolarHBondContact O-N 2.73Å; K628-V632 HydrophobicContact CG-CG2 4.29Å; K628-V632 WeakPolarHBondContact O-CB 3.47Å; K628-V632 WeakPolarHBondContact O-CG2 3.34Å; K628-V632 PolarHBondContact O-N 3.33Å
629	Q	78.9	Confident	70.1	Confident	120 Å²	120	70 Å²	70	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-59.5	-44.7	175	-76.1	167.8	-4.9	0	0	111.7	S625 Q626 F627 V632 Q633	S625-Q629 VanDerWaalsContact O-CB 3.29Å; S625-Q629 WeakPolarHBondContact O-CB 3.5Å; S625-Q629 WeakPolarHBondContact O-CG 3.45Å; S625-Q629 PolarHBondContact O-N 3.48Å; Q626-Q629 PolarHBondContact O-N 2.92Å; F627-Q629 VanDerWaalsContact C-N 3.27Å; F627-Q629 PolarHBondContact O-N 3.03Å; Q629-V632 PolarHBondContact O-N 3.07Å; Q629-Q633 WeakPolarHBondContact O-CB 3.18Å; Q629-Q633 PolarHBondContact O-N 2.8Å
630	T	81.2	Confident	71.2	Confident	11 Å²	11	66.7 Å²	66.7	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-48.2	177	-64.4	0	0	0	0	112.2	L604 Q626 F627 Q633 L634 L1082	L604-T630 HydrophobicContact CD1-CG2 4.26Å; Q626-T630 WeakPolarHBondContact O-CB 3.29Å; Q626-T630 PolarHBondContact O-N 2.97Å; Q626-T630 PolarHBondContact O-OG1 2.93Å; F627-T630 WeakPolarHBondContact O-CB 3.06Å; F627-T630 PolarHBondContact O-N 2.83Å; F627-T630 VanDerWaalsContact O-N 3.17Å; T630-Q633 PolarHBondContact O-N 2.94Å; T630-L634 HydrophobicContact CG2-CD1 4.11Å; T630-L634 HydrophobicContact CG2-CG 4.5Å; T630-L634 WeakPolarHBondContact O-CB 3.42Å; T630-L634 VanDerWaalsContact O-CG 3.27Å; T630-L634 WeakPolarHBondContact O-CG 3.5Å; T630-L634 PolarHBondContact O-N 3.46Å; T630-L1082 HydrophobicContact CG2-CD2 3.41Å; T630-L1082 VanDerWaalsContact CG2-CD2 3.41Å
631	L	81.1	Confident	72	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-38.7	-180	-75.1	179.1	0	0	0	113	L541 L544 A600 Y601 L604 F627 K628 L634 N635	L541-L631 HydrophobicContact CD1-CD1 3.88Å; L544-L631 HydrophobicContact CD2-CB 4.05Å; A600-L631 HydrophobicContact CB-CD2 4.19Å; Y601-L631 HydrophobicContact CD2-CD1 3.74Å; L604-L631 HydrophobicContact CD1-CD2 4.1Å; L604-L631 HydrophobicContact CD1-CG 4.3Å; F627-L631 HydrophobicContact CD1-CD1 4.33Å; F627-L631 HydrophobicContact CD2-CD1 4.33Å; F627-L631 HydrophobicContact CD2-CG 4.45Å; F627-L631 HydrophobicContact CE1-CD1 3.67Å; F627-L631 HydrophobicContact CE2-CD1 3.52Å; F627-L631 HydrophobicContact CE2-CG 3.93Å; F627-L631 HydrophobicContact CZ-CD1 3.2Å; F627-L631 HydrophobicContact CZ-CG 4.11Å; F627-L631 PolarHBondContact O-N 2.93Å; K628-L631 PolarHBondContact O-N 2.73Å; L631-L634 HydrophobicContact CD2-CD1 4.47Å; L631-L634 PolarHBondContact O-N 2.69Å; L631-N635 WeakPolarHBondContact O-CB 3.45Å; L631-N635 PolarHBondContact O-N 3.28Å
632	V	82.4	Confident	72.5	Confident	56 Å²	56	58.9 Å²	58.9	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-45.8	173.9	170.3	0	0	0	0	109.8	K628 Q629 L634 N635 D636	K628-V632 HydrophobicContact CG-CG2 4.29Å; K628-V632 WeakPolarHBondContact O-CB 3.47Å; K628-V632 WeakPolarHBondContact O-CG2 3.34Å; K628-V632 PolarHBondContact O-N 3.33Å; Q629-V632 PolarHBondContact O-N 3.07Å; V632-L634 PolarHBondContact O-N 3.17Å; V632-N635 WeakPolarHBondContact O-CB 3.32Å; V632-N635 PolarHBondContact O-N 3.05Å; V632-D636 WeakPolarHBondContact CG1-OD2 3.34Å; V632-D636 WeakPolarHBondContact O-CB 3.19Å; V632-D636 PolarHBondContact O-N 2.93Å
633	Q	84.3	Confident	72.5	Confident	67 Å²	67	61.7 Å²	61.7	31%	0.313	31%	0.311	S	S	.	.	H	α-helix	trans	-58.4	-47	175.7	-179.4	-166.6	-22.4	0	0	111.5	Q629 T630 N635 D636 E637 S652	Q629-Q633 WeakPolarHBondContact O-CB 3.18Å; Q629-Q633 PolarHBondContact O-N 2.8Å; T630-Q633 PolarHBondContact O-N 2.94Å; Q633-N635 VanDerWaalsContact C-N 3.32Å; Q633-N635 PolarHBondContact O-N 2.88Å; Q633-D636 PolarHBondContact O-N 2.92Å; Q633-E637 HydrophobicContact CG-CG 4.46Å; Q633-E637 WeakPolarHBondContact CG-OE1 3.33Å; Q633-E637 PolarHBondContact NE2-OE1 2.98Å; Q633-E637 WeakPolarHBondContact O-CB 3.4Å; Q633-E637 VanDerWaalsContact O-CG 3.26Å; Q633-E637 WeakPolarHBondContact O-CG 3.47Å; Q633-E637 PolarHBondContact O-N 3.41Å; Q633-S652 PolarHBondContact NE2-OG 3.18Å
634	L	83.3	Confident	72	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-41.5	177	-75	173.4	0	0	0	111.8	A600 T630 L631 V632 Y638 F653	A600-L634 HydrophobicContact CB-CD1 3.71Å; T630-L634 HydrophobicContact CG2-CD1 4.11Å; T630-L634 HydrophobicContact CG2-CG 4.5Å; T630-L634 WeakPolarHBondContact O-CB 3.42Å; T630-L634 VanDerWaalsContact O-CG 3.27Å; T630-L634 WeakPolarHBondContact O-CG 3.5Å; T630-L634 PolarHBondContact O-N 3.46Å; L631-L634 HydrophobicContact CD2-CD1 4.47Å; L631-L634 PolarHBondContact O-N 2.69Å; V632-L634 PolarHBondContact O-N 3.17Å; L634-Y638 WeakPolarHBondContact O-CD2 3.4Å; L634-Y638 PolarHBondContact O-N 3.25Å; L634-Y638 VanDerWaalsContact O-N 3.1Å; L634-F653 HydrophobicContact CD2-CB 3.82Å
635	N	84	Confident	71.2	Confident	13 Å²	13	69.5 Å²	69.5	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-47.7	174.3	-178.2	83.3	0	0	0	111.4	L544 I597 L631 V632 Q633 E637 Y638 E639	L544-N635 HydrophobicContact CD1-CB 3.74Å; I597-N635 HydrophobicContact CD1-CB 4.31Å; L631-N635 WeakPolarHBondContact O-CB 3.45Å; L631-N635 PolarHBondContact O-N 3.28Å; V632-N635 WeakPolarHBondContact O-CB 3.32Å; V632-N635 PolarHBondContact O-N 3.05Å; Q633-N635 VanDerWaalsContact C-N 3.32Å; Q633-N635 PolarHBondContact O-N 2.88Å; N635-E637 VanDerWaalsContact C-N 3.32Å; N635-E637 PolarHBondContact O-N 3.24Å; N635-Y638 PolarHBondContact O-N 2.94Å; N635-Y638 VanDerWaalsContact O-N 3.14Å; N635-E639 WeakPolarHBondContact O-CG 3.49Å; N635-E639 PolarHBondContact O-N 3.26Å
636	D	84.2	Confident	70.2	Confident	73 Å²	73	70 Å²	70	39%	0.39	36%	0.36	S	S	.	.	H	α-helix	trans	-67.6	-29.7	-179.1	-64	-12.3	0	0	0	112.8	V632 Q633 R640	V632-D636 WeakPolarHBondContact CG1-OD2 3.34Å; V632-D636 WeakPolarHBondContact O-CB 3.19Å; V632-D636 PolarHBondContact O-N 2.93Å; Q633-D636 PolarHBondContact O-N 2.92Å; D636-R640 WeakPolarHBondContact O-CG 3.43Å; D636-R640 PolarHBondContact O-N 3.21Å; D636-R640 PolarHBondContact O-NE 3.28Å
637	E	83.3	Confident	69	Low	14 Å²	14	70.6 Å²	70.6	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-48.6	169	-76.7	171.2	-167.4	0	0	110.1	Q633 N635 E639 R640 H651 S652	Q633-E637 HydrophobicContact CG-CG 4.46Å; Q633-E637 WeakPolarHBondContact CG-OE1 3.33Å; Q633-E637 PolarHBondContact NE2-OE1 2.98Å; Q633-E637 WeakPolarHBondContact O-CB 3.4Å; Q633-E637 VanDerWaalsContact O-CG 3.26Å; Q633-E637 WeakPolarHBondContact O-CG 3.47Å; Q633-E637 PolarHBondContact O-N 3.41Å; N635-E637 VanDerWaalsContact C-N 3.32Å; N635-E637 PolarHBondContact O-N 3.24Å; E637-E639 PolarHBondContact O-N 3.42Å; E637-R640 PolarHBondContact O-N 2.81Å; E637-H651 PolarHBondContact O-NE2 3.5Å; E637-H651 VanDerWaalsContact O-NE2 3.16Å; E637-H651 WeakPolarHBondContact OE2-CA 3.3Å; E637-S652 PolarHBondContact OE1-OG 3.29Å; E637-S652 WeakPolarHBondContact OE2-CB 3.34Å; E637-S652 PolarHBondContact OE2-N 3.39Å; E637-S652 PolarHBondContact OE2-OG 3.18Å
638	Y	77.9	Confident	67.9	Low	23 Å²	23	72 Å²	72	9%	0.09	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-35.3	177.6	-97.2	-91.4	0	0	0	113.9	K593 T596 L634 N635 R640 K641 H651	K593-Y638 HydrophobicContact CB-CD1 4.04Å; K593-Y638 HydrophobicContact CB-CE1 4.42Å; K593-Y638 HydrophobicContact CG-CD1 4.07Å; K593-Y638 HydrophobicContact CG-CG 4.39Å; T596-Y638 WeakPolarHBondContact CB-OH 3.44Å; T596-Y638 HydrophobicContact CG2-CE2 3.64Å; T596-Y638 WeakPolarHBondContact CG2-OH 3.24Å; T596-Y638 PolarHBondContact OG1-OH 3.42Å; L634-Y638 WeakPolarHBondContact O-CD2 3.4Å; L634-Y638 PolarHBondContact O-N 3.25Å; L634-Y638 VanDerWaalsContact O-N 3.1Å; N635-Y638 PolarHBondContact O-N 2.94Å; N635-Y638 VanDerWaalsContact O-N 3.14Å; Y638-R640 VanDerWaalsContact C-N 3.33Å; Y638-K641 WeakPolarHBondContact O-CB 3.43Å; Y638-K641 PolarHBondContact O-N 3.08Å; Y638-H651 AromaticContact CD2-ND1 3.86Å; Y638-H651 AromaticContact CE2-ND1 3.72Å
639	E	74.5	Confident	67	Low	78 Å²	78	71.5 Å²	71.5	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-31.5	175.5	-63.1	-64.5	-174.9	0	0	112.7	K593 N635 E637 K641	K593-E639 IonicContact NZ-OE1 3.86Å; K593-E639 PolarHBondContact NZ-OE1 2.94Å; K593-E639 IonicContact NZ-OE2 3.98Å; K593-E639 PolarHBondContact NZ-OE2 2.9Å; N635-E639 WeakPolarHBondContact O-CG 3.49Å; N635-E639 PolarHBondContact O-N 3.26Å; E637-E639 PolarHBondContact O-N 3.42Å; E639-K641 VanDerWaalsContact C-N 3.25Å; E639-K641 PolarHBondContact O-N 2.66Å
640	R	70.5	Confident	66.3	Low	163 Å²	163	69.8 Å²	69.8	62%	0.615	38%	0.379	S	S	*	.	H	α-helix	trans	-69.6	-19.3	178.8	-80.7	-179.9	-90.1	171.8	-7.3	113.7	D636 E637 Y638 N642 D643	D636-R640 WeakPolarHBondContact O-CG 3.43Å; D636-R640 PolarHBondContact O-N 3.21Å; D636-R640 PolarHBondContact O-NE 3.28Å; E637-R640 PolarHBondContact O-N 2.81Å; Y638-R640 VanDerWaalsContact C-N 3.33Å; R640-N642 PolarHBondContact O-N 3.44Å; R640-N642 VanDerWaalsContact O-N 3.16Å; R640-D643 PolarHBondContact O-N 3.48Å
641	K	59.3	Low	65.9	Low	57 Å²	57	69.5 Å²	69.5	25%	0.248	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-58.5	-25.1	178.9	-167.3	-172.6	174.9	-161.2	0	113.4	D589 Y638 E639 D643 D644 N648	D589-K641 IonicContact OD1-NZ 2.96Å; D589-K641 PolarHBondContact OD1-NZ 3.36Å; Y638-K641 WeakPolarHBondContact O-CB 3.43Å; Y638-K641 PolarHBondContact O-N 3.08Å; E639-K641 VanDerWaalsContact C-N 3.25Å; E639-K641 PolarHBondContact O-N 2.66Å; K641-D643 PolarHBondContact O-N 3.02Å; K641-D644 PolarHBondContact O-N 3.26Å; K641-N648 WeakPolarHBondContact CE-OD1 3.43Å
642	N	51	Low	66.1	Low	140 Å²	140	69.5 Å²	69.5	75%	0.749	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15	-175.7	-77.6	-21.4	0	0	0	114.3	R640	R640-N642 PolarHBondContact O-N 3.44Å; R640-N642 VanDerWaalsContact O-N 3.16Å
643	D	46.8	Very low	66.4	Low	148 Å²	148	66.9 Å²	66.9	79%	0.791	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-97.2	-24.3	-178.4	-73	-23.4	0	0	0	115	R640 K641	R640-D643 PolarHBondContact O-N 3.48Å; K641-D643 PolarHBondContact O-N 3.02Å
644	D	41.8	Very low	66.6	Low	128 Å²	128	64 Å²	64	68%	0.684	35%	0.347	S	S	*	.			trans	-143.3	100.6	-177.4	-89.9	-35.3	0	0	0	112	K641 S646	K641-D644 PolarHBondContact O-N 3.26Å; D644-S646 PolarHBondContact O-N 3.4Å
645	S	44.2	Very low	66.9	Low	101 Å²	101	64.1 Å²	64.1	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	7.8	-169.5	52	0	0	0	0	117
646	S	44.7	Very low	67.2	Low	95 Å²	95	64 Å²	64	66%	0.664	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-8.6	-172.2	59.1	0	0	0	0	117	D644	D644-S646 PolarHBondContact O-N 3.4Å
647	N	47.9	Very low	67.6	Low	101 Å²	101	61.7 Å²	61.7	54%	0.54	33%	0.334	S	S	.	.			trans	-122.8	68.3	-173.6	-84	-28.5	0	0	0	114.1	T649 S650	N647-T649 PolarHBondContact O-N 2.75Å; N647-T649 PolarHBondContact OD1-OG1 2.9Å; N647-S650 PolarHBondContact O-N 2.76Å; N647-S650 PolarHBondContact O-OG 3.27Å
648	N	50.9	Low	67.5	Low	35 Å²	35	63 Å²	63	19%	0.187	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-56.8	-15	161	-77.2	-15.6	0	0	0	112.5	K641 S650 H651 Y654 I669	K641-N648 WeakPolarHBondContact CE-OD1 3.43Å; N648-S650 PolarHBondContact O-N 2.72Å; N648-H651 PolarHBondContact O-N 3.11Å; N648-H651 VanDerWaalsContact O-N 3.09Å; N648-Y654 HydrophobicContact CB-CD2 4.07Å; N648-Y654 HydrophobicContact CB-CE2 4.18Å; N648-Y654 WeakPolarHBondContact O-CE1 3.36Å; N648-I669 WeakPolarHBondContact ND2-CD1 3.21Å
649	T	54.2	Low	67.7	Low	74 Å²	74	63.7 Å²	63.7	45%	0.454	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.9	-14.7	180	53.3	0	0	0	0	114.6	N647 N1078	N647-T649 PolarHBondContact O-N 2.75Å; N647-T649 PolarHBondContact OD1-OG1 2.9Å; T649-N1078 PolarHBondContact O-ND2 2.98Å
650	S	64.5	Low	68.2	Low	84 Å²	84	60.9 Å²	60.9	59%	0.587	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-87.8	-16.9	176.7	65.6	0	0	0	0	114.3	N647 N648	N647-S650 PolarHBondContact O-N 2.76Å; N647-S650 PolarHBondContact O-OG 3.27Å; N648-S650 PolarHBondContact O-N 2.72Å
651	H	74.1	Confident	68.7	Low	4 Å²	4	55.9 Å²	55.9	2%	0.019	32%	0.321	C	S	.	.			trans	-77.2	145.1	-175.5	-69.5	-166.9	0	0	0	111.5	E637 Y638 N648 Y654 N1078	E637-H651 PolarHBondContact O-NE2 3.5Å; E637-H651 VanDerWaalsContact O-NE2 3.16Å; E637-H651 WeakPolarHBondContact OE2-CA 3.3Å; Y638-H651 AromaticContact CD2-ND1 3.86Å; Y638-H651 AromaticContact CE2-ND1 3.72Å; N648-H651 PolarHBondContact O-N 3.11Å; N648-H651 VanDerWaalsContact O-N 3.09Å; H651-Y654 HydrophobicContact CB-CD1 3.75Å; H651-Y654 HydrophobicContact CB-CG 4.2Å; H651-N1078 WeakPolarHBondContact O-CB 3.23Å; H651-N1078 PolarHBondContact O-ND2 3.2Å
652	S	84.2	Confident	69.6	Low	2 Å²	2	55.5 Å²	55.5	1%	0.014	32%	0.322	C	S	.	.	S	Bend	trans	-76.4	-33.8	-178.3	-57.8	0	0	0	0	112.7	Q633 E637 N1078 Q1079	Q633-S652 PolarHBondContact NE2-OG 3.18Å; E637-S652 PolarHBondContact OE1-OG 3.29Å; E637-S652 WeakPolarHBondContact OE2-CB 3.34Å; E637-S652 PolarHBondContact OE2-N 3.39Å; E637-S652 PolarHBondContact OE2-OG 3.18Å; S652-N1078 PolarHBondContact O-N 3.27Å; S652-Q1079 PolarHBondContact O-N 2.87Å; S652-Q1079 PolarHBondContact OG-NE2 2.78Å; S652-Q1079 PolarHBondContact OG-OE1 3.14Å
653	F	89.1	Confident	70.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	120.6	174.9	177.1	-115.3	0	0	0	109.1	T596 A600 L603 L634 Y689 F1075 Y1076 V1077 L1082 F1086	T596-F653 HydrophobicContact CG2-CD1 3.52Å; T596-F653 HydrophobicContact CG2-CE1 3.76Å; T596-F653 HydrophobicContact CG2-CG 4.48Å; A600-F653 HydrophobicContact CB-CD1 3.85Å; A600-F653 HydrophobicContact CB-CE1 3.98Å; L603-F653 HydrophobicContact CD1-CZ 4.11Å; L634-F653 HydrophobicContact CD2-CB 3.82Å; F653-Y689 HydrophobicContact CE2-CD2 4.3Å; F653-F1075 HydrophobicContact CD2-CB 4.14Å; F653-F1075 HydrophobicContact CE1-CB 4.38Å; F653-F1075 HydrophobicContact CE1-CD1 4.15Å; F653-F1075 HydrophobicContact CE1-CG 4.35Å; F653-F1075 HydrophobicContact CE2-CB 3.27Å; F653-F1075 HydrophobicContact CE2-CD1 4.49Å; F653-F1075 HydrophobicContact CE2-CG 4.01Å; F653-F1075 HydrophobicContact CZ-CB 3.42Å; F653-F1075 VanDerWaalsContact CZ-CB 3.42Å; F653-F1075 AromaticContact CZ-CD1 3.87Å; F653-F1075 HydrophobicContact CZ-CD1 3.87Å; F653-F1075 HydrophobicContact CZ-CD2 4.3Å; F653-F1075 AromaticContact CZ-CG 3.61Å; F653-F1075 HydrophobicContact CZ-CG 3.61Å; F653-Y1076 WeakPolarHBondContact CA-O 3.45Å; F653-V1077 HydrophobicContact CD2-CG2 3.74Å; F653-V1077 HydrophobicContact CE2-CG2 4.12Å; F653-L1082 HydrophobicContact CB-CD1 4.27Å; F653-F1086 HydrophobicContact CD1-CE2 4.31Å; F653-F1086 HydrophobicContact CD1-CZ 4.38Å; F653-F1086 AromaticContact CD2-CE2 3.69Å; F653-F1086 HydrophobicContact CD2-CE2 3.69Å; F653-F1086 HydrophobicContact CD2-CZ 4.39Å; F653-F1086 HydrophobicContact CE1-CE2 4.41Å; F653-F1086 AromaticContact CE2-CE2 3.75Å; F653-F1086 HydrophobicContact CE2-CE2 3.75Å; F653-F1086 AromaticContact CG-CE2 3.94Å; F653-F1086 HydrophobicContact CG-CE2 3.94Å; F653-F1086 HydrophobicContact CG-CZ 4.19Å; F653-F1086 HydrophobicContact CZ-CE2 4.13Å
654	Y	87.7	Confident	71.7	Confident	6 Å²	6	47.4 Å²	47.4	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159	-176	64.5	-90.9	0	0	0	113.2	N648 H651 L656 I669 F1075 Y1076 N1078	N648-Y654 HydrophobicContact CB-CD2 4.07Å; N648-Y654 HydrophobicContact CB-CE2 4.18Å; N648-Y654 WeakPolarHBondContact O-CE1 3.36Å; H651-Y654 HydrophobicContact CB-CD1 3.75Å; H651-Y654 HydrophobicContact CB-CG 4.2Å; Y654-L656 HydrophobicContact CE2-CD2 3.95Å; Y654-I669 HydrophobicContact CE2-CG2 4.02Å; Y654-F1075 CarbonylContact O-C 3.53Å; Y654-F1075 VanDerWaalsContact O-CA 3.31Å; Y654-F1075 WeakPolarHBondContact O-CA 3.44Å; Y654-Y1076 HydrophobicContact CD1-CD1 4.15Å; Y654-Y1076 AromaticContact CE1-CD1 3.32Å; Y654-Y1076 HydrophobicContact CE1-CD1 3.32Å; Y654-Y1076 AromaticContact CE1-CE1 3.85Å; Y654-Y1076 HydrophobicContact CE1-CE1 3.85Å; Y654-Y1076 HydrophobicContact CE1-CG 4.39Å; Y654-Y1076 HydrophobicContact CE2-CD1 4.31Å; Y654-Y1076 AromaticContact CZ-CD1 3.39Å; Y654-Y1076 AromaticContact CZ-CE1 3.98Å; Y654-Y1076 PolarHBondContact N-O 3.36Å; Y654-Y1076 VanDerWaalsContact N-O 3.12Å; Y654-Y1076 PolarHBondContact O-N 3.05Å; Y654-Y1076 VanDerWaalsContact OH-CD1 3.28Å; Y654-Y1076 WeakPolarHBondContact OH-CD1 3.39Å; Y654-N1078 HydrophobicContact CE1-CB 4.4Å
655	S	90.3	Very high	73.1	Confident	8 Å²	8	45 Å²	45	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.2	176.9	178.1	0	0	0	0	112.1	E657 I669	S655-E657 WeakPolarHBondContact OG-CG 3.49Å; S655-E657 PolarHBondContact OG-N 2.78Å; S655-I669 WeakPolarHBondContact O-CD1 3.29Å
656	L	91.3	Very high	74.7	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.047	22%	0.222	C	C	.	.			trans	-93.9	9.2	174.7	-71.4	179.6	0	0	0	113.2	Y654 I669 I671 I688 K1074 Y1076	Y654-L656 HydrophobicContact CE2-CD2 3.95Å; L656-I669 HydrophobicContact CD2-CB 4.48Å; L656-I669 HydrophobicContact CD2-CG2 4.03Å; L656-I671 HydrophobicContact CD1-CD1 3.89Å; L656-I671 HydrophobicContact CD1-CG1 4.1Å; L656-I671 HydrophobicContact CD2-CG1 4.06Å; L656-I688 HydrophobicContact CD1-CG2 4.24Å; L656-K1074 HydrophobicContact CB-CB 3.93Å; L656-K1074 HydrophobicContact CD1-CB 4.31Å; L656-K1074 PolarHBondContact N-O 3.07Å; L656-Y1076 HydrophobicContact CD2-CG 4.48Å
657	E	90.9	Very high	76.3	Confident	25 Å²	25	39 Å²	39	12%	0.117	21%	0.205	C	C	.	.	S	Bend	trans	-68.9	152.3	174.8	-58	-43.6	136.6	0	0	112	S655 I669 H1073 K1074	S655-E657 WeakPolarHBondContact OG-CG 3.49Å; S655-E657 PolarHBondContact OG-N 2.78Å; E657-I669 WeakPolarHBondContact O-CD1 3.32Å; E657-H1073 VanDerWaalsContact OE1-CA 3.32Å; E657-H1073 WeakPolarHBondContact OE1-CA 3.31Å; E657-K1074 PolarHBondContact OE1-N 3.4Å; E657-K1074 IonicContact OE1-NZ 3.43Å; E657-K1074 PolarHBondContact OE1-NZ 2.85Å; E657-K1074 IonicContact OE2-NZ 3.99Å; E657-K1074 PolarHBondContact OE2-NZ 2.81Å
658	D	82.2	Confident	78	Confident	42 Å²	42	35.3 Å²	35.3	23%	0.225	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-51.8	143.5	-171.3	-62.2	-18.7	0	0	0	113.5	R592 S666 E667 K1036	R592-D658 PolarHBondContact NH1-O 3.34Å; R592-D658 PolarHBondContact NH2-O 3.48Å; R592-D658 VanDerWaalsContact NH2-O 3.11Å; D658-S666 PolarHBondContact OD2-OG 3.21Å; D658-E667 CarbonylContact C-O 3.56Å; D658-E667 WeakPolarHBondContact CA-O 3.28Å; D658-K1036 IonicContact OD2-NZ 3.26Å; D658-K1036 PolarHBondContact OD2-NZ 3.22Å
659	S	81.9	Confident	79.7	Confident	38 Å²	38	35 Å²	35	27%	0.266	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-73.7	125.4	167.7	-167.4	0	0	0	0	109.8	H661 S666 E667	S659-H661 PolarHBondContact OG-CE1 3.05Å; S659-H661 PolarHBondContact OG-NE2 3.5Å; S659-S666 CarbonylContact O-C 3.43Å; S659-S666 WeakPolarHBondContact O-CA 3.5Å; S659-E667 PolarHBondContact N-O 2.95Å; S659-E667 PolarHBondContact O-N 3.25Å
660	L	84.3	Confident	81.2	Confident	18 Å²	18	33.1 Å²	33.1	9%	0.094	17%	0.172	C	C	.	.			trans	-108.7	133.9	-176.6	-57.8	173.6	0	0	0	109.5	L510 I513 L585 V588	L510-L660 HydrophobicContact CD2-CB 4.27Å; L510-L660 HydrophobicContact CD2-CD1 3.77Å; L510-L660 HydrophobicContact CD2-CD2 4.31Å; L510-L660 HydrophobicContact CD2-CG 4.34Å; I513-L660 HydrophobicContact CD1-CD1 4.01Å; I513-L660 HydrophobicContact CD1-CD2 4.13Å; I513-L660 HydrophobicContact CG2-CD1 4.21Å; L585-L660 HydrophobicContact CD2-CB 3.47Å; L585-L660 VanDerWaalsContact CD2-CB 3.47Å; V588-L660 HydrophobicContact CG1-CD1 4.02Å; V588-L660 HydrophobicContact CG2-CD1 4.37Å
661	H	81.8	Confident	82.2	Confident	59 Å²	59	29.2 Å²	29.2	27%	0.273	14%	0.144	S	C	.	.			trans	-137	155	-177	-63.4	-66.1	0	0	0	111	Y506 S659 Y663 Q664	Y506-H661 PolarHBondContact OH-O 2.86Å; S659-H661 PolarHBondContact OG-CE1 3.05Å; S659-H661 PolarHBondContact OG-NE2 3.5Å; H661-Y663 PolarHBondContact O-N 3.31Å; H661-Q664 HydrophobicContact CB-CB 4.18Å; H661-Q664 PolarHBondContact O-N 2.89Å
662	N	78.4	Confident	82.6	Confident	48 Å²	48	31.2 Å²	31.2	26%	0.257	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131.2	177.1	-78.6	-27.6	0	0	0	111.3	S581 L585 Q664	S581-N662 WeakPolarHBondContact CB-OD1 3.22Å; L585-N662 WeakPolarHBondContact CD1-OD1 3.4Å; N662-Q664 PolarHBondContact O-N 3.25Å
663	Y	69.5	Low	82.2	Confident	53 Å²	53	31.2 Å²	31.2	21%	0.208	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	12.6	174.8	-55.3	-60.3	0	0	0	117.2	L578 H661 K915 E1032 W1033	L578-Y663 WeakPolarHBondContact CD1-OH 3.32Å; L578-Y663 HydrophobicContact CD2-CD2 4.41Å; L578-Y663 HydrophobicContact CD2-CE1 4.41Å; L578-Y663 HydrophobicContact CD2-CE2 3.33Å; L578-Y663 WeakPolarHBondContact CD2-OH 3.49Å; L578-Y663 HydrophobicContact CG-CE2 4.26Å; L578-Y663 WeakPolarHBondContact CG-OH 3.4Å; H661-Y663 PolarHBondContact O-N 3.31Å; Y663-K915 PolarHBondContact O-NZ 3.26Å; Y663-K915 VanDerWaalsContact O-NZ 3.14Å; Y663-E1032 WeakPolarHBondContact CB-O 3.16Å; Y663-W1033 HydrophobicContact CD1-CB 4.42Å; Y663-W1033 HydrophobicContact CD1-CE3 4.35Å; Y663-W1033 HydrophobicContact CE1-CE3 4.21Å
664	Q	72.4	Confident	81.2	Confident	65 Å²	65	37.8 Å²	37.8	30%	0.304	18%	0.184	S	C	.	.	S	Bend	trans	-123.2	154.1	-175	-69	-172.5	-11.6	0	0	111	Y506 H661 N662	Y506-Q664 WeakPolarHBondContact CE2-O 3.26Å; H661-Q664 HydrophobicContact CB-CB 4.18Å; H661-Q664 PolarHBondContact O-N 2.89Å; N662-Q664 PolarHBondContact O-N 3.25Å
665	Y	70.8	Confident	79.8	Confident	78 Å²	78	43.3 Å²	43.3	31%	0.306	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-62.5	148	173.8	179.9	-97.3	0	0	0	110.2	E667 V911 K1036	Y665-E667 PolarHBondContact O-N 3.04Å; Y665-V911 HydrophobicContact CD2-CG1 3.89Å; Y665-V911 HydrophobicContact CD2-CG2 4.34Å; Y665-V911 HydrophobicContact CE2-CG1 4.16Å; Y665-V911 HydrophobicContact CE2-CG2 3.75Å; Y665-K1036 HydrophobicContact CD2-CB 4.31Å; Y665-K1036 HydrophobicContact CE2-CB 3.85Å; Y665-K1036 HydrophobicContact CE2-CD 3.74Å; Y665-K1036 HydrophobicContact CE2-CG 4.1Å
666	S	77.2	Confident	77.8	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.028	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.6	117.5	176.7	60.3	0	0	0	0	111	D658 S659 K1036	D658-S666 PolarHBondContact OD2-OG 3.21Å; S659-S666 CarbonylContact O-C 3.43Å; S659-S666 WeakPolarHBondContact O-CA 3.5Å; S666-K1036 PolarHBondContact OG-NZ 3.4Å
667	E	80	Confident	75.8	Confident	66 Å²	66	52.8 Å²	52.8	31%	0.308	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-90.5	131.1	-178.6	-67.5	-174.7	176.2	0	0	111.5	D658 S659 Y665	D658-E667 CarbonylContact C-O 3.56Å; D658-E667 WeakPolarHBondContact CA-O 3.28Å; S659-E667 PolarHBondContact N-O 2.95Å; S659-E667 PolarHBondContact O-N 3.25Å; Y665-E667 PolarHBondContact O-N 3.04Å
668	P	83.2	Confident	73.7	Confident	24 Å²	24	61.6 Å²	61.6	16%	0.156	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.5	137.6	177.8	29	-34	0	0	0	110.9	L670 H705 I739	P668-L670 PolarHBondContact O-N 2.74Å; P668-H705 HydrophobicContact CB-CB 4.06Å; P668-H705 WeakPolarHBondContact CB-ND1 3.28Å; P668-H705 HydrophobicContact CG-CB 4.48Å; P668-I739 HydrophobicContact CG-CD1 3.69Å
669	I	85.3	Confident	71.9	Confident	29 Å²	29	65.7 Å²	65.7	15%	0.149	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-75.2	122.1	172.2	-61.4	177.4	0	0	0	109.1	N648 Y654 S655 L656 E657	N648-I669 WeakPolarHBondContact ND2-CD1 3.21Å; Y654-I669 HydrophobicContact CE2-CG2 4.02Å; S655-I669 WeakPolarHBondContact O-CD1 3.29Å; L656-I669 HydrophobicContact CD2-CB 4.48Å; L656-I669 HydrophobicContact CD2-CG2 4.03Å; E657-I669 WeakPolarHBondContact O-CD1 3.32Å
670	L	85.9	Confident	70.5	Confident	33 Å²	33	66.9 Å²	66.9	17%	0.173	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-84.7	130.7	-177.3	-53.7	-177.2	0	0	0	111.5	P668 H705 K707 I739 V748	P668-L670 PolarHBondContact O-N 2.74Å; L670-H705 WeakPolarHBondContact CA-O 3.28Å; L670-H705 HydrophobicContact CD2-CB 3.63Å; L670-K707 HydrophobicContact CB-CB 4.1Å; L670-K707 HydrophobicContact CD1-CB 4.3Å; L670-K707 HydrophobicContact CD1-CG 4.41Å; L670-I739 HydrophobicContact CD2-CD1 4.07Å; L670-V748 HydrophobicContact CD1-CG2 3.75Å; L670-V748 HydrophobicContact CD2-CG1 3.77Å; L670-V748 HydrophobicContact CD2-CG2 3.97Å
671	I	86.7	Confident	69.1	Low	2 Å²	2	72.1 Å²	72.1	1%	0.01	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-75.8	128.4	168.6	-59.3	172.9	0	0	0	108.4	L656 F673 I688 L704 H705 V706 K707 Y1076	L656-I671 HydrophobicContact CD1-CD1 3.89Å; L656-I671 HydrophobicContact CD1-CG1 4.1Å; L656-I671 HydrophobicContact CD2-CG1 4.06Å; I671-F673 HydrophobicContact CB-CE2 4.48Å; I671-F673 HydrophobicContact CG2-CD2 4.23Å; I671-F673 HydrophobicContact CG2-CE2 3.61Å; I671-F673 HydrophobicContact CG2-CZ 4.11Å; I671-I688 HydrophobicContact CD1-CD1 3.71Å; I671-I688 HydrophobicContact CD1-CG1 4.46Å; I671-L704 HydrophobicContact CD1-CB 4.33Å; I671-L704 HydrophobicContact CD1-CD1 4.38Å; I671-L704 HydrophobicContact CD1-CD2 4.26Å; I671-H705 PolarHBondContact N-O 3.01Å; I671-V706 HydrophobicContact CB-CG2 4.33Å; I671-V706 WeakPolarHBondContact O-CA 3.4Å; I671-K707 PolarHBondContact O-N 3.33Å; I671-Y1076 HydrophobicContact CG1-CD2 4.48Å; I671-Y1076 HydrophobicContact CG2-CD2 4.16Å; I671-Y1076 HydrophobicContact CG2-CE2 3.74Å
672	D	81.1	Confident	67.9	Low	46 Å²	46	74.3 Å²	74.3	25%	0.246	37%	0.373	C	S	.	.			trans	-104.1	140.9	-180	-153.9	-3.3	0	0	0	112.3	K707 H708	D672-K707 HydrophobicContact CB-CD 4.39Å; D672-K707 IonicContact OD1-NZ 3.54Å; D672-K707 IonicContact OD2-NZ 3.67Å; D672-K707 PolarHBondContact OD2-NZ 2.95Å; D672-H708 IonicContact OD1-CD2 2.79Å; D672-H708 IonicContact OD1-NE2 2.75Å
673	F	77.4	Confident	67.1	Low	2 Å²	2	76.5 Å²	76.5	1%	0.009	38%	0.382	C	S	.	.			trans	-125.6	136	176.4	-70.7	-91.1	0	0	0	108.8	I671 E675 R686 V706 M711 F713 L768 V770	I671-F673 HydrophobicContact CB-CE2 4.48Å; I671-F673 HydrophobicContact CG2-CD2 4.23Å; I671-F673 HydrophobicContact CG2-CE2 3.61Å; I671-F673 HydrophobicContact CG2-CZ 4.11Å; F673-E675 PolarHBondContact O-N 3.3Å; F673-R686 HydrophobicContact CD1-CG 4.05Å; F673-R686 HydrophobicContact CE1-CB 4.24Å; F673-R686 HydrophobicContact CE1-CG 3.39Å; F673-R686 HydrophobicContact CZ-CB 4.3Å; F673-R686 HydrophobicContact CZ-CG 3.73Å; F673-V706 HydrophobicContact CD2-CG1 3.62Å; F673-V706 HydrophobicContact CE2-CG1 3.67Å; F673-V706 HydrophobicContact CE2-CG2 4.28Å; F673-M711 HydrophobicContact CB-CE 4.31Å; F673-M711 HydrophobicContact CB-SD 4.01Å; F673-F713 AromaticContact CD2-CE1 3.99Å; F673-F713 HydrophobicContact CD2-CE1 3.99Å; F673-F713 HydrophobicContact CE2-CD1 4.44Å; F673-F713 AromaticContact CE2-CE1 3.66Å; F673-F713 HydrophobicContact CE2-CE1 3.66Å; F673-F713 HydrophobicContact CE2-CZ 4.49Å; F673-F713 HydrophobicContact CZ-CD1 4.34Å; F673-F713 AromaticContact CZ-CE1 3.96Å; F673-F713 HydrophobicContact CZ-CE1 3.96Å; F673-L768 HydrophobicContact CE2-CD2 4.14Å; F673-L768 HydrophobicContact CZ-CD2 3.7Å; F673-L768 HydrophobicContact CZ-CG 3.91Å; F673-V770 HydrophobicContact CB-CG2 4.1Å; F673-V770 HydrophobicContact CD1-CG2 3.24Å; F673-V770 HydrophobicContact CE1-CG2 3.66Å; F673-V770 HydrophobicContact CG-CG2 3.73Å; F673-V770 HydrophobicContact CZ-CG2 4.48Å
674	F	67.1	Low	67.4	Low	138 Å²	138	75.3 Å²	75.3	61%	0.605	38%	0.379	S	S	*	.			trans	-73.1	118.2	176.6	-63.1	-72.7	0	0	0	109.6	N676	F674-N676 PolarHBondContact O-N 3.18Å; F674-N676 VanDerWaalsContact O-N 3.07Å
675	E	57.2	Low	67.8	Low	123 Å²	123	73.5 Å²	73.5	58%	0.575	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.9	179.7	-86.6	178.9	175.5	0	0	114.1	F673 H708 M711	F673-E675 PolarHBondContact O-N 3.3Å; E675-H708 IonicContact OE1-CE1 2.68Å; E675-H708 PolarHBondContact OE1-CE1 2.78Å; E675-H708 IonicContact OE1-CG 3.08Å; E675-H708 IonicContact OE1-ND1 2.71Å; E675-H708 PolarHBondContact OE1-ND1 2.98Å; E675-M711 HydrophobicContact CG-CE 3.62Å
676	N	50	Low	68.5	Low	145 Å²	145	70.5 Å²	70.5	78%	0.775	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	7.8	-159.7	-84	-27.4	0	0	0	118.9	F674 K678	F674-N676 PolarHBondContact O-N 3.18Å; F674-N676 VanDerWaalsContact O-N 3.07Å; N676-K678 PolarHBondContact O-N 3.25Å
677	N	48.6	Very low	69.2	Low	70 Å²	70	72.3 Å²	72.3	37%	0.374	37%	0.367	S	S	.	.			trans	-94.4	92.9	174.4	-77.3	-6.5	0	0	0	111.8	N679 E683 N684	N677-N679 PolarHBondContact O-N 3.05Å; N677-E683 PolarHBondContact ND2-OE2 3.27Å; N677-N684 PolarHBondContact O-ND2 3.29Å
678	K	47.6	Very low	69.9	Low	210 Å²	210	69.1 Å²	69.1	91%	0.913	35%	0.352	S	S	*	.			trans	-67.7	-5	163.5	-73.7	-174.4	177	179.1	0	113.1	N676	N676-K678 PolarHBondContact O-N 3.25Å
679	N	44	Very low	70.5	Confident	129 Å²	129	68 Å²	68	69%	0.69	35%	0.345	S	S	*	.	S	Bend	trans	-111.6	120.4	-175.7	-74.7	-16.5	0	0	0	111.1	N677	N677-N679 PolarHBondContact O-N 3.05Å
680	S	52.4	Low	71	Confident	62 Å²	62	66.6 Å²	66.6	43%	0.434	34%	0.338	S	S	.	.			trans	78.5	119.1	175.5	83.8	0	0	0	0	117.4	V682 E683	S680-V682 PolarHBondContact O-N 2.99Å; S680-V682 VanDerWaalsContact O-N 3.12Å; S680-E683 PolarHBondContact O-N 3.31Å; S680-E683 WeakPolarHBondContact OG-CG 3.4Å; S680-E683 PolarHBondContact OG-N 2.68Å
681	D	54.6	Low	71.6	Confident	128 Å²	128	65 Å²	65	68%	0.684	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.9	168.1	-73.8	-43.2	0	0	0	112.9	T685	D681-T685 PolarHBondContact O-OG1 3.13Å
682	V	56.1	Low	72	Confident	105 Å²	105	65 Å²	65	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-37.3	-179	-176.4	0	0	0	0	111.5	S680	S680-V682 PolarHBondContact O-N 2.99Å; S680-V682 VanDerWaalsContact O-N 3.12Å
683	E	62.1	Low	72.8	Confident	95 Å²	95	62.8 Å²	62.8	44%	0.444	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.6	179.9	-78.4	-176.7	168	0	0	113.9	N677 S680 R686	N677-E683 PolarHBondContact ND2-OE2 3.27Å; S680-E683 PolarHBondContact O-N 3.31Å; S680-E683 WeakPolarHBondContact OG-CG 3.4Å; S680-E683 PolarHBondContact OG-N 2.68Å; E683-R686 PolarHBondContact O-NH1 2.96Å
684	N	75.1	Confident	73.5	Confident	28 Å²	28	63.9 Å²	63.9	15%	0.15	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.4	179	-72.8	-25.1	0	0	0	113.9	N677 N769 V770	N677-N684 PolarHBondContact O-ND2 3.29Å; N684-N769 WeakPolarHBondContact O-CA 3.14Å; N684-N769 PolarHBondContact O-OD1 3.01Å; N684-V770 PolarHBondContact O-N 3.05Å
685	T	81.2	Confident	74.7	Confident	26 Å²	26	57.8 Å²	57.8	16%	0.16	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.1	176.5	-58.1	0	0	0	0	110.4	D681 E767 N769	D681-T685 PolarHBondContact O-OG1 3.13Å; T685-E767 HydrophobicContact CG2-CB 4.11Å; T685-E767 HydrophobicContact CG2-CG 3.83Å; T685-N769 PolarHBondContact OG1-ND2 3.46Å
686	R	86	Confident	76	Confident	16 Å²	16	53.2 Å²	53.2	6%	0.06	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.8	173.3	-62.6	-57.8	-172.8	-95.7	-0.7	110.1	F673 E683 E767 L768 Y1076	F673-R686 HydrophobicContact CD1-CG 4.05Å; F673-R686 HydrophobicContact CE1-CB 4.24Å; F673-R686 HydrophobicContact CE1-CG 3.39Å; F673-R686 HydrophobicContact CZ-CB 4.3Å; F673-R686 HydrophobicContact CZ-CG 3.73Å; E683-R686 PolarHBondContact O-NH1 2.96Å; R686-E767 WeakPolarHBondContact O-CA 3.38Å; R686-L768 PolarHBondContact N-O 3.35Å; R686-L768 PolarHBondContact O-N 2.87Å; R686-Y1076 HydrophobicContact CB-CE2 3.85Å; R686-Y1076 WeakPolarHBondContact CD-OH 3.44Å; R686-Y1076 HydrophobicContact CG-CE2 3.79Å; R686-Y1076 PolarHBondContact NE-OH 3.31Å
687	R	91.7	Very high	77.7	Confident	41 Å²	41	48.6 Å²	48.6	16%	0.155	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132	173.7	-73.7	-164.5	177.8	170.3	4.2	110.8	Y689 I766 E767 V1077 N1083	R687-Y689 HydrophobicContact CB-CE2 4.26Å; R687-I766 WeakPolarHBondContact CA-O 3.32Å; R687-E767 HydrophobicContact CG-CG 3.76Å; R687-E767 IonicContact CZ-OE1 3.4Å; R687-E767 IonicContact NE-OE1 2.81Å; R687-E767 PolarHBondContact NE-OE1 3.16Å; R687-E767 IonicContact NH2-OE1 2.99Å; R687-E767 PolarHBondContact NH2-OE1 3.12Å; R687-V1077 HydrophobicContact CB-CB 4.32Å; R687-V1077 HydrophobicContact CB-CG2 4.39Å; R687-V1077 PolarHBondContact O-N 3.38Å; R687-N1083 WeakPolarHBondContact CD-OD1 3.5Å; R687-N1083 PolarHBondContact NH1-O 2.89Å
688	I	94.3	Very high	79.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.7	177.4	-56.3	168	0	0	0	107.2	L656 I671 L704 I766 L768 F1075	L656-I688 HydrophobicContact CD1-CG2 4.24Å; I671-I688 HydrophobicContact CD1-CD1 3.71Å; I671-I688 HydrophobicContact CD1-CG1 4.46Å; I688-L704 HydrophobicContact CD1-CD1 3.34Å; I688-L704 HydrophobicContact CD1-CD2 4.01Å; I688-L704 HydrophobicContact CD1-CG 4.32Å; I688-I766 HydrophobicContact CB-CB 4.47Å; I688-I766 PolarHBondContact N-O 3.04Å; I688-I766 PolarHBondContact O-N 3.04Å; I688-L768 HydrophobicContact CD1-CB 4.38Å; I688-L768 HydrophobicContact CD1-CD2 4.28Å; I688-F1075 CarbonylContact C-O 3.55Å; I688-F1075 VanDerWaalsContact CA-O 3.25Å; I688-F1075 WeakPolarHBondContact CA-O 3.37Å
689	Y	95.6	Very high	81.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.7	173.1	-74.6	-92.3	0	0	0	109.3	L603 F653 R687 I764 C765 K1074 F1075 V1077 F1086 V1087	L603-Y689 HydrophobicContact CD1-CD1 3.79Å; L603-Y689 HydrophobicContact CD1-CE1 4.15Å; L603-Y689 HydrophobicContact CD1-CG 4.01Å; L603-Y689 HydrophobicContact CD2-CD1 3.9Å; L603-Y689 HydrophobicContact CD2-CE1 3.92Å; F653-Y689 HydrophobicContact CE2-CD2 4.3Å; R687-Y689 HydrophobicContact CB-CE2 4.26Å; Y689-I764 CarbonylContact C-O 3.54Å; Y689-I764 WeakPolarHBondContact CA-O 3.34Å; Y689-C765 HydrophobicContact CD1-CB 4.05Å; Y689-C765 HydrophobicContact CE1-CB 3.67Å; Y689-K1074 CarbonylContact O-C 3.52Å; Y689-K1074 WeakPolarHBondContact O-CA 3.31Å; Y689-F1075 PolarHBondContact N-O 3.3Å; Y689-F1075 PolarHBondContact O-N 3.03Å; Y689-V1077 HydrophobicContact CD2-CG2 3.74Å; Y689-V1077 HydrophobicContact CE2-CG2 3.63Å; Y689-F1086 HydrophobicContact CD2-CD2 4.29Å; Y689-F1086 HydrophobicContact CE1-CB 4.47Å; Y689-F1086 HydrophobicContact CE2-CB 4.33Å; Y689-F1086 AromaticContact CE2-CD2 3.74Å; Y689-F1086 HydrophobicContact CE2-CD2 3.74Å; Y689-F1086 AromaticContact CZ-CD2 3.94Å; Y689-F1086 WeakPolarHBondContact OH-CB 3.35Å; Y689-V1087 VanDerWaalsContact CE1-O 3.23Å; Y689-V1087 WeakPolarHBondContact CE1-O 3.47Å
690	I	96.6	Very high	83.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.3	173.9	-56.9	-171.1	0	0	0	108.1	I702 L758 F763 I764 I766 I1072 H1073 K1074	I690-I702 HydrophobicContact CD1-CB 4.42Å; I690-I702 HydrophobicContact CD1-CD1 3.97Å; I690-I702 HydrophobicContact CD1-CG1 3.69Å; I690-I702 HydrophobicContact CD1-CG2 3.96Å; I690-L758 HydrophobicContact CB-CD2 4.4Å; I690-L758 HydrophobicContact CG2-CD2 3.88Å; I690-F763 CarbonylContact O-C 3.54Å; I690-F763 VanDerWaalsContact O-CA 3.3Å; I690-F763 WeakPolarHBondContact O-CA 3.18Å; I690-I764 HydrophobicContact CB-CD1 3.76Å; I690-I764 HydrophobicContact CB-CG1 4.1Å; I690-I764 HydrophobicContact CD1-CD1 4.18Å; I690-I764 HydrophobicContact CG1-CD1 4.06Å; I690-I764 PolarHBondContact N-O 2.76Å; I690-I764 PolarHBondContact O-N 2.88Å; I690-I766 HydrophobicContact CD1-CD1 3.35Å; I690-I766 HydrophobicContact CG1-CD1 3.93Å; I690-I1072 HydrophobicContact CD1-CD1 4.43Å; I690-I1072 HydrophobicContact CG2-CB 4.01Å; I690-I1072 HydrophobicContact CG2-CD1 3.87Å; I690-I1072 HydrophobicContact CG2-CG2 4.37Å; I690-H1073 CarbonylContact C-O 3.56Å; I690-H1073 WeakPolarHBondContact CA-O 3.34Å; I690-K1074 HydrophobicContact CG1-CG 4.46Å
691	F	97.8	Very high	85.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.3	167.5	-178.8	-108.9	0	0	0	109.9	T520 L524 P693 L761 S762 F763 H1073 F1075 L1092	T520-F691 HydrophobicContact CG2-CD1 3.85Å; T520-F691 HydrophobicContact CG2-CE1 3.68Å; L524-F691 HydrophobicContact CD1-CE1 4.46Å; L524-F691 HydrophobicContact CD2-CD2 4.32Å; L524-F691 HydrophobicContact CD2-CE1 4.32Å; L524-F691 HydrophobicContact CD2-CE2 3.83Å; L524-F691 HydrophobicContact CD2-CZ 3.82Å; L524-F691 HydrophobicContact CG-CE1 4.4Å; L524-F691 HydrophobicContact CG-CZ 4.3Å; F691-P693 HydrophobicContact CD1-CB 4.37Å; F691-P693 HydrophobicContact CE1-CB 4Å; F691-P693 WeakPolarHBondContact O-CD 3.36Å; F691-L761 HydrophobicContact CZ-CD2 4.3Å; F691-S762 WeakPolarHBondContact CA-O 3.38Å; F691-S762 WeakPolarHBondContact CD2-O 3.44Å; F691-F763 HydrophobicContact CB-CD1 3.86Å; F691-F763 HydrophobicContact CB-CE1 3.63Å; F691-F763 HydrophobicContact CB-CZ 4.2Å; F691-F763 HydrophobicContact CD2-CD1 4Å; F691-F763 AromaticContact CD2-CD2 3.8Å; F691-F763 HydrophobicContact CD2-CD2 3.8Å; F691-F763 AromaticContact CD2-CE1 3.72Å; F691-F763 HydrophobicContact CD2-CE1 3.72Å; F691-F763 AromaticContact CD2-CE2 3.5Å; F691-F763 HydrophobicContact CD2-CE2 3.5Å; F691-F763 VanDerWaalsContact CD2-CE2 3.5Å; F691-F763 HydrophobicContact CD2-CG 4.04Å; F691-F763 AromaticContact CD2-CZ 3.45Å; F691-F763 HydrophobicContact CD2-CZ 3.45Å; F691-F763 VanDerWaalsContact CD2-CZ 3.45Å; F691-F763 HydrophobicContact CE2-CD2 4.3Å; F691-F763 AromaticContact CE2-CE2 3.84Å; F691-F763 HydrophobicContact CE2-CE2 3.84Å; F691-F763 HydrophobicContact CE2-CZ 4.07Å; F691-F763 HydrophobicContact CG-CD1 4.38Å; F691-F763 AromaticContact CG-CE1 3.95Å; F691-F763 HydrophobicContact CG-CE1 3.95Å; F691-F763 HydrophobicContact CG-CE2 4.46Å; F691-F763 AromaticContact CG-CZ 3.99Å; F691-F763 HydrophobicContact CG-CZ 3.99Å; F691-H1073 HydrophobicContact CB-CB 4.29Å; F691-H1073 PolarHBondContact N-O 3.47Å; F691-H1073 PolarHBondContact O-N 2.96Å; F691-F1075 HydrophobicContact CB-CE2 3.92Å; F691-L1092 HydrophobicContact CE2-CD1 3.85Å; F691-L1092 HydrophobicContact CZ-CD1 4.04Å
692	N	96.6	Very high	87.5	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.2	172.3	178	16.4	0	0	0	110.2	S694 R696 L758 Y759 L761 S762	N692-S694 PolarHBondContact O-N 3.38Å; N692-S694 WeakPolarHBondContact OD1-CB 3.48Å; N692-S694 PolarHBondContact OD1-N 3.27Å; N692-R696 PolarHBondContact ND2-O 2.87Å; N692-L758 HydrophobicContact CB-CB 4.07Å; N692-Y759 WeakPolarHBondContact CB-O 3.42Å; N692-Y759 PolarHBondContact ND2-O 3.28Å; N692-L761 WeakPolarHBondContact O-CA 3.34Å; N692-L761 PolarHBondContact O-N 2.96Å; N692-S762 PolarHBondContact N-O 3.06Å
693	P	96.1	Very high	89.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.			trans	-78.8	-4.2	178.9	34.8	-37.7	0	0	0	113.5	R519 F691 L761 R1070 P1071	R519-P693 PolarHBondContact NH1-O 3.11Å; F691-P693 HydrophobicContact CD1-CB 4.37Å; F691-P693 HydrophobicContact CE1-CB 4Å; F691-P693 WeakPolarHBondContact O-CD 3.36Å; P693-L761 VanDerWaalsContact O-CD2 3.25Å; P693-L761 WeakPolarHBondContact O-CD2 3.4Å; P693-R1070 HydrophobicContact CG-CB 4.31Å; P693-R1070 WeakPolarHBondContact CG-O 3.39Å; P693-P1071 WeakPolarHBondContact CG-O 3.45Å
694	S	92.8	Very high	90.8	Very high	25 Å²	25	17.4 Å²	17.4	18%	0.175	9%	0.092	C	C	.	.	S	Bend	trans	-75.3	146.5	173.5	-174.9	0	0	0	0	110.9	N692 R696 P760 L761	N692-S694 PolarHBondContact O-N 3.38Å; N692-S694 WeakPolarHBondContact OD1-CB 3.48Å; N692-S694 PolarHBondContact OD1-N 3.27Å; S694-R696 PolarHBondContact O-N 3.28Å; S694-R696 PolarHBondContact OG-N 3.13Å; S694-P760 CarbonylContact O-C 3.56Å; S694-P760 WeakPolarHBondContact O-CA 3.4Å; S694-L761 PolarHBondContact O-N 2.93Å
695	T	91.7	Very high	91.5	Very high	10 Å²	10	18.8 Å²	18.8	6%	0.061	10%	0.097	C	C	.	.	S	Bend	trans	-84.5	24.2	173.8	51.4	0	0	0	0	112.5	P760 L761 I1093 G1097 L1098 L1104	T695-P760 VanDerWaalsContact C-CB 3.43Å; T695-L761 HydrophobicContact CG2-CD1 4.02Å; T695-L761 HydrophobicContact CG2-CD2 4.35Å; T695-L761 HydrophobicContact CG2-CG 4.05Å; T695-I1093 HydrophobicContact CG2-CD1 4.42Å; T695-G1097 WeakPolarHBondContact O-CA 3.49Å; T695-L1098 HydrophobicContact CG2-CD1 3.79Å; T695-L1098 HydrophobicContact CG2-CG 4.32Å; T695-L1098 PolarHBondContact O-N 2.68Å; T695-L1098 VanDerWaalsContact O-N 3.09Å; T695-L1104 HydrophobicContact CG2-CB 3.78Å; T695-L1104 HydrophobicContact CG2-CD2 4.25Å
696	R	85.3	Confident	91.9	Very high	26 Å²	26	17.6 Å²	17.6	10%	0.098	9%	0.09	C	C	.	.	S	Bend	trans	-143.8	161.1	-178.9	-68.1	-147.1	-175.7	123.2	51	115.4	N692 S694 H1063 L1098 P1099 C1100	N692-R696 PolarHBondContact ND2-O 2.87Å; S694-R696 PolarHBondContact O-N 3.28Å; S694-R696 PolarHBondContact OG-N 3.13Å; R696-H1063 VanDerWaalsContact CZ-NE2 3.32Å; R696-H1063 PolarHBondContact NH1-CE1 2.83Å; R696-H1063 PolarHBondContact NH1-NE2 3.31Å; R696-H1063 PolarHBondContact NH2-CE1 2.85Å; R696-H1063 VanDerWaalsContact NH2-CE1 3.26Å; R696-H1063 PolarHBondContact NH2-NE2 3.38Å; R696-L1098 PolarHBondContact NE-O 2.72Å; R696-P1099 PolarHBondContact NH2-O 2.71Å; R696-C1100 PolarHBondContact NH1-O 3.38Å; R696-C1100 VanDerWaalsContact NH1-O 3.11Å; R696-C1100 PolarHBondContact NH1-SG 2.97Å; R696-C1100 PolarHBondContact NH2-O 3.37Å
697	N	85.8	Confident	91.8	Very high	49 Å²	49	19.9 Å²	19.9	26%	0.262	10%	0.1	S	C	.	.			trans	-71.4	137.2	167	-64.4	-33.8	0	0	0	110.4	L758 Y759 P760 K1095	N697-L758 VanDerWaalsContact CA-O 3.3Å; N697-L758 WeakPolarHBondContact CA-O 3.48Å; N697-Y759 WeakPolarHBondContact OD1-CA 3.37Å; N697-Y759 WeakPolarHBondContact OD1-CD1 3.48Å; N697-P760 WeakPolarHBondContact OD1-CD 3.16Å; N697-K1095 PolarHBondContact ND2-O 3.21Å; N697-K1095 PolarHBondContact OD1-O 3.43Å
698	H	84.6	Confident	90.9	Very high	30 Å²	30	19.9 Å²	19.9	14%	0.139	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.9	163.7	65.2	162.2	0	0	0	109.9	L758 D1067	H698-L758 PolarHBondContact N-O 3.5Å; H698-L758 WeakPolarHBondContact O-CB 3.25Å; H698-L758 PolarHBondContact O-N 3.48Å; H698-D1067 IonicContact CE1-OD1 3.71Å; H698-D1067 IonicContact ND1-OD1 3.86Å
699	S	87.9	Confident	89.6	Confident	35 Å²	35	24.5 Å²	24.5	25%	0.245	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.3	174.4	-62.4	0	0	0	0	110	I756	S699-I756 VanDerWaalsContact CA-O 3.27Å; S699-I756 WeakPolarHBondContact CA-O 3.45Å
700	K	90.6	Very high	88.3	Confident	30 Å²	30	30.3 Å²	30.3	13%	0.13	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.1	-174.3	-168.2	162.1	-175.9	154.9	0	111.7	I702 P755 I756 L758 D1067	K700-I702 HydrophobicContact CB-CD1 4.33Å; K700-I702 HydrophobicContact CG-CD1 4.42Å; K700-P755 WeakPolarHBondContact O-CA 3.32Å; K700-I756 PolarHBondContact N-O 3Å; K700-I756 VanDerWaalsContact N-O 3.16Å; K700-I756 PolarHBondContact O-N 3.41Å; K700-L758 HydrophobicContact CB-CD1 4.35Å; K700-D1067 IonicContact NZ-OD1 3.14Å; K700-D1067 PolarHBondContact NZ-OD1 3.01Å; K700-D1067 IonicContact NZ-OD2 2.76Å; K700-D1067 PolarHBondContact NZ-OD2 2.87Å
701	I	94.7	Very high	87.2	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129	168.1	-76.1	168.2	0	0	0	108	Y752 L753 P755 L878 V879 Y896	I701-Y752 HydrophobicContact CG2-CD1 4.07Å; I701-Y752 HydrophobicContact CG2-CG 4.5Å; I701-L753 WeakPolarHBondContact CA-O 3.46Å; I701-L753 WeakPolarHBondContact CG2-O 3.48Å; I701-P755 HydrophobicContact CG1-CG 3.98Å; I701-L878 HydrophobicContact CD1-CB 4.04Å; I701-L878 HydrophobicContact CD1-CD2 4.48Å; I701-L878 VanDerWaalsContact CD1-O 3.27Å; I701-L878 WeakPolarHBondContact CD1-O 3.23Å; I701-V879 HydrophobicContact CG2-CG2 4.34Å; I701-Y896 HydrophobicContact CB-CD1 4.03Å; I701-Y896 HydrophobicContact CD1-CD1 4.15Å; I701-Y896 HydrophobicContact CG2-CD1 4.04Å; I701-Y896 HydrophobicContact CG2-CE1 4.31Å
702	I	94.3	Very high	86.5	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.3	-177.6	-56.8	-50.4	0	0	0	109.8	I690 K700 L704 Y752 L753 I756 I1072 K1074	I690-I702 HydrophobicContact CD1-CB 4.42Å; I690-I702 HydrophobicContact CD1-CD1 3.97Å; I690-I702 HydrophobicContact CD1-CG1 3.69Å; I690-I702 HydrophobicContact CD1-CG2 3.96Å; K700-I702 HydrophobicContact CB-CD1 4.33Å; K700-I702 HydrophobicContact CG-CD1 4.42Å; I702-L704 HydrophobicContact CG2-CD2 4.15Å; I702-L704 HydrophobicContact CG2-CG 4.31Å; I702-Y752 WeakPolarHBondContact O-CA 3.03Å; I702-L753 HydrophobicContact CB-CB 4.38Å; I702-L753 HydrophobicContact CB-CD1 4.45Å; I702-L753 PolarHBondContact N-O 3.04Å; I702-L753 PolarHBondContact O-N 3.25Å; I702-I756 HydrophobicContact CB-CD1 4.12Å; I702-I756 HydrophobicContact CG1-CB 4.2Å; I702-I756 HydrophobicContact CG1-CD1 3.54Å; I702-I756 HydrophobicContact CG1-CG1 3.9Å; I702-I1072 HydrophobicContact CD1-CD1 3.34Å; I702-K1074 HydrophobicContact CG2-CD 4.25Å
703	T	93.7	Very high	86	Confident	39 Å²	39	33.9 Å²	33.9	24%	0.239	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.5	176.3	-55.4	0	0	0	0	110.5	L750 L751 Y752	T703-L750 HydrophobicContact CG2-CD1 3.28Å; T703-L750 HydrophobicContact CG2-CG 4.11Å; T703-L751 CarbonylContact C-O 3.6Å; T703-L751 WeakPolarHBondContact CA-O 3.33Å; T703-Y752 HydrophobicContact CG2-CD1 4.32Å; T703-Y752 HydrophobicContact CG2-CE1 4.13Å; T703-Y752 WeakPolarHBondContact OG1-CD1 3.46Å; T703-Y752 WeakPolarHBondContact OG1-CE1 3.25Å
704	L	93.6	Very high	85.6	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.3	176.3	-59.5	175.8	0	0	0	110.4	I671 I688 I702 L751 L753 L768 K1074	I671-L704 HydrophobicContact CD1-CB 4.33Å; I671-L704 HydrophobicContact CD1-CD1 4.38Å; I671-L704 HydrophobicContact CD1-CD2 4.26Å; I688-L704 HydrophobicContact CD1-CD1 3.34Å; I688-L704 HydrophobicContact CD1-CD2 4.01Å; I688-L704 HydrophobicContact CD1-CG 4.32Å; I702-L704 HydrophobicContact CG2-CD2 4.15Å; I702-L704 HydrophobicContact CG2-CG 4.31Å; L704-L751 HydrophobicContact CB-CB 4.36Å; L704-L751 PolarHBondContact N-O 2.98Å; L704-L751 PolarHBondContact O-N 2.86Å; L704-L753 HydrophobicContact CD1-CD1 3.77Å; L704-L753 HydrophobicContact CD1-CG 4.33Å; L704-L753 HydrophobicContact CG-CD1 4.47Å; L704-L768 HydrophobicContact CD1-CD2 4.15Å; L704-K1074 HydrophobicContact CD2-CD 4.25Å
705	H	90.9	Very high	85.6	Confident	57 Å²	57	37 Å²	37	26%	0.264	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.9	175.1	-62.7	84.2	0	0	0	109.4	P668 L670 I671 V748 L750	P668-H705 HydrophobicContact CB-CB 4.06Å; P668-H705 WeakPolarHBondContact CB-ND1 3.28Å; P668-H705 HydrophobicContact CG-CB 4.48Å; L670-H705 WeakPolarHBondContact CA-O 3.28Å; L670-H705 HydrophobicContact CD2-CB 3.63Å; I671-H705 PolarHBondContact N-O 3.01Å; H705-V748 HydrophobicContact CB-CG1 4.34Å; H705-L750 VanDerWaalsContact NE2-CD1 3.35Å; H705-L750 WeakPolarHBondContact NE2-CD1 3.45Å
706	V	89.9	Confident	85.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134	-176.2	-180	0	0	0	0	109.6	I671 F673 F713 S749 L751	I671-V706 HydrophobicContact CB-CG2 4.33Å; I671-V706 WeakPolarHBondContact O-CA 3.4Å; F673-V706 HydrophobicContact CD2-CG1 3.62Å; F673-V706 HydrophobicContact CE2-CG1 3.67Å; F673-V706 HydrophobicContact CE2-CG2 4.28Å; V706-F713 HydrophobicContact CB-CZ 4.38Å; V706-F713 HydrophobicContact CG1-CE1 4.1Å; V706-F713 HydrophobicContact CG1-CZ 3.66Å; V706-S749 PolarHBondContact N-O 3.26Å; V706-S749 PolarHBondContact O-N 2.98Å; V706-L751 HydrophobicContact CB-CD1 4.09Å; V706-L751 HydrophobicContact CG2-CD1 3.73Å; V706-L751 HydrophobicContact CG2-CD2 4.1Å
707	K	83.5	Confident	85.8	Confident	64 Å²	64	38.6 Å²	38.6	28%	0.278	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.3	173.2	-167.9	172.5	156.1	-162.5	0	109	L670 I671 D672	L670-K707 HydrophobicContact CB-CB 4.1Å; L670-K707 HydrophobicContact CD1-CB 4.3Å; L670-K707 HydrophobicContact CD1-CG 4.41Å; I671-K707 PolarHBondContact O-N 3.33Å; D672-K707 HydrophobicContact CB-CD 4.39Å; D672-K707 IonicContact OD1-NZ 3.54Å; D672-K707 IonicContact OD2-NZ 3.67Å; D672-K707 PolarHBondContact OD2-NZ 2.95Å
708	H	73.7	Confident	85.8	Confident	42 Å²	42	36.8 Å²	36.8	19%	0.194	18%	0.181	C	C	.	.	S	Bend	trans	84.6	159.3	-177.7	-54.5	-97.4	0	0	0	115.6	D672 E675 M711 P747 S749	D672-H708 IonicContact OD1-CD2 2.79Å; D672-H708 IonicContact OD1-NE2 2.75Å; E675-H708 IonicContact OE1-CE1 2.68Å; E675-H708 PolarHBondContact OE1-CE1 2.78Å; E675-H708 IonicContact OE1-CG 3.08Å; E675-H708 IonicContact OE1-ND1 2.71Å; E675-H708 PolarHBondContact OE1-ND1 2.98Å; H708-M711 HydrophobicContact CB-CE 3.72Å; H708-P747 PolarHBondContact N-O 3.45Å; H708-S749 PolarHBondContact O-OG 3.19Å
709	H	66.4	Low	85.4	Confident	97 Å²	97	37 Å²	37	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	-112	154.9	178	61.8	-56.5	0	0	0	109.4	M711 P747	H709-M711 PolarHBondContact O-N 3.13Å; H709-P747 HydrophobicContact CB-CB 4Å
710	L	67.4	Low	84.5	Confident	122 Å²	122	38.3 Å²	38.3	64%	0.639	19%	0.192	S	C	*	.	S	Bend	trans	70.8	21.7	169.5	-51.5	169.1	0	0	0	117.6	H736	L710-H736 PolarHBondContact N-CE1 3.04Å
711	M	74.8	Confident	82.7	Confident	24 Å²	24	41.2 Å²	41.2	12%	0.118	21%	0.209	C	C	.	.			trans	-89.2	147.2	168.1	-66.5	-177.4	-167.3	0	0	111.4	F673 E675 H708 H709 F713 V770	F673-M711 HydrophobicContact CB-CE 4.31Å; F673-M711 HydrophobicContact CB-SD 4.01Å; E675-M711 HydrophobicContact CG-CE 3.62Å; H708-M711 HydrophobicContact CB-CE 3.72Å; H709-M711 PolarHBondContact O-N 3.13Å; M711-F713 HydrophobicContact CB-CE1 4.23Å; M711-F713 HydrophobicContact CB-CE2 3.71Å; M711-F713 HydrophobicContact CB-CZ 3.52Å; M711-F713 HydrophobicContact CG-CZ 4.45Å; M711-F713 WeakPolarHBondContact O-CE2 3.39Å; M711-F713 HydrophobicContact SD-CZ 4.21Å; M711-V770 HydrophobicContact SD-CG2 4.34Å
712	N	81.4	Confident	80.7	Confident	49 Å²	49	47.4 Å²	47.4	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.2	168.5	-63.4	-58.6	0	0	0	109.4	V770 A771 M779	N712-V770 CarbonylContact O-C 3.53Å; N712-V770 WeakPolarHBondContact O-CA 3.33Å; N712-A771 HydrophobicContact CB-CB 4.03Å; N712-A771 PolarHBondContact O-N 2.97Å; N712-M779 HydrophobicContact CB-CE 4.1Å; N712-M779 WeakPolarHBondContact OD1-CE 3.5Å
713	F	87.4	Confident	78.5	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.1	-177.7	-60.9	-82.8	0	0	0	111.9	F673 V706 M711 I732 L751 L768 N769 V770 M779	F673-F713 AromaticContact CD2-CE1 3.99Å; F673-F713 HydrophobicContact CD2-CE1 3.99Å; F673-F713 HydrophobicContact CE2-CD1 4.44Å; F673-F713 AromaticContact CE2-CE1 3.66Å; F673-F713 HydrophobicContact CE2-CE1 3.66Å; F673-F713 HydrophobicContact CE2-CZ 4.49Å; F673-F713 HydrophobicContact CZ-CD1 4.34Å; F673-F713 AromaticContact CZ-CE1 3.96Å; F673-F713 HydrophobicContact CZ-CE1 3.96Å; V706-F713 HydrophobicContact CB-CZ 4.38Å; V706-F713 HydrophobicContact CG1-CE1 4.1Å; V706-F713 HydrophobicContact CG1-CZ 3.66Å; M711-F713 HydrophobicContact CB-CE1 4.23Å; M711-F713 HydrophobicContact CB-CE2 3.71Å; M711-F713 HydrophobicContact CB-CZ 3.52Å; M711-F713 HydrophobicContact CG-CZ 4.45Å; M711-F713 WeakPolarHBondContact O-CE2 3.39Å; M711-F713 HydrophobicContact SD-CZ 4.21Å; F713-I732 HydrophobicContact CB-CD1 3.71Å; F713-L751 HydrophobicContact CB-CD2 4.13Å; F713-L751 HydrophobicContact CD1-CD2 4.28Å; F713-L751 HydrophobicContact CD2-CD1 4.37Å; F713-L751 HydrophobicContact CD2-CD2 3.76Å; F713-L751 HydrophobicContact CD2-CG 4.34Å; F713-L751 HydrophobicContact CE2-CD1 4.19Å; F713-L751 HydrophobicContact CE2-CD2 4.22Å; F713-L751 HydrophobicContact CG-CD2 3.79Å; F713-L768 HydrophobicContact CB-CD1 3.95Å; F713-L768 HydrophobicContact CD1-CD1 4.09Å; F713-L768 HydrophobicContact CD1-CG 4.29Å; F713-L768 HydrophobicContact CG-CD1 4.32Å; F713-N769 CarbonylContact C-O 3.6Å; F713-N769 WeakPolarHBondContact CA-O 2.99Å; F713-V770 HydrophobicContact CD1-CG2 4.44Å; F713-V770 HydrophobicContact CE1-CG2 4.14Å; F713-M779 HydrophobicContact CB-SD 4.44Å; F713-M779 HydrophobicContact CD2-SD 4.45Å; F713-M779 PolarHBondContact N-SD 3.27Å
714	K	88.3	Confident	76.4	Confident	86 Å²	86	59.3 Å²	59.3	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	163.5	-73.5	176.7	-177.9	179.5	0	108.3	L768 N769 A771 T775	K714-L768 WeakPolarHBondContact O-CA 3.41Å; K714-N769 PolarHBondContact N-O 3.2Å; K714-N769 PolarHBondContact O-N 3.08Å; K714-A771 HydrophobicContact CD-CB 4.34Å; K714-A771 HydrophobicContact CG-CB 4.17Å; K714-T775 WeakPolarHBondContact CE-OG1 3.41Å
715	A	91.4	Very high	74.5	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	175.3	0	0	0	0	0	110.1	L730 I732 L753 E767 L768	A715-L730 HydrophobicContact CB-CB 4Å; A715-L730 HydrophobicContact CB-CD1 4.19Å; A715-L730 PolarHBondContact O-N 2.98Å; A715-I732 HydrophobicContact CB-CD1 3.81Å; A715-I732 HydrophobicContact CB-CG1 4.18Å; A715-L753 HydrophobicContact CB-CD1 4.47Å; A715-L753 HydrophobicContact CB-CD2 3.87Å; A715-E767 CarbonylContact C-O 3.55Å; A715-E767 VanDerWaalsContact CA-O 3.26Å; A715-E767 WeakPolarHBondContact CA-O 3.41Å; A715-L768 HydrophobicContact CB-CD1 4.15Å
716	K	91	Very high	73	Confident	61 Å²	61	66 Å²	66	27%	0.265	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.1	170.5	60.9	176	179.8	166.8	0	111.1	N727 H728 I766 E767	K716-N727 HydrophobicContact CD-CB 3.94Å; K716-H728 CarbonylContact C-O 3.53Å; K716-H728 WeakPolarHBondContact CA-O 3.45Å; K716-H728 WeakPolarHBondContact CB-O 3.45Å; K716-I766 WeakPolarHBondContact O-CA 3.22Å; K716-E767 WeakPolarHBondContact CE-OE2 3.5Å; K716-E767 HydrophobicContact CG-CB 3.97Å; K716-E767 PolarHBondContact N-O 3.28Å; K716-E767 IonicContact NZ-OE2 2.75Å; K716-E767 PolarHBondContact NZ-OE2 2.92Å; K716-E767 PolarHBondContact O-N 3.48Å
717	Q	91.1	Very high	71.9	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.042	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.6	167.6	-176.6	175.4	8.9	0	0	108.8	I719 H728 L730 I756 K757	Q717-I719 HydrophobicContact CG-CG1 4.26Å; Q717-H728 PolarHBondContact N-O 3.16Å; Q717-H728 PolarHBondContact O-N 2.84Å; Q717-H728 VanDerWaalsContact O-N 3.15Å; Q717-L730 HydrophobicContact CB-CD1 4.41Å; Q717-L730 HydrophobicContact CB-CD2 4.46Å; Q717-I756 HydrophobicContact CG-CG2 4.44Å; Q717-K757 PolarHBondContact NE2-O 2.91Å
718	I	85.7	Confident	71.7	Confident	11 Å²	11	71.6 Å²	71.6	6%	0.056	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114	175.2	-50.6	175.6	0	0	0	108.6	T725 C765 E767 T1088	I718-T725 HydrophobicContact CG2-CG2 4.44Å; I718-C765 HydrophobicContact CD1-CB 4.5Å; I718-C765 PolarHBondContact N-O 3.48Å; I718-E767 HydrophobicContact CD1-CG 3.86Å; I718-E767 WeakPolarHBondContact CD1-OE1 3.42Å; I718-E767 HydrophobicContact CG1-CG 4.42Å; I718-T1088 HydrophobicContact CB-CG2 4.31Å; I718-T1088 HydrophobicContact CD1-CG2 3.86Å; I718-T1088 HydrophobicContact CG2-CG2 3.92Å
719	I	77	Confident	72.3	Confident	35 Å²	35	74.8 Å²	74.8	18%	0.179	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.2	175.8	-54.4	171.9	0	0	0	108.1	Q717 N721 T725 L726 H728	Q717-I719 HydrophobicContact CG-CG1 4.26Å; I719-N721 PolarHBondContact O-N 3.49Å; I719-T725 WeakPolarHBondContact O-CA 3.21Å; I719-L726 WeakPolarHBondContact CB-O 3.49Å; I719-L726 PolarHBondContact N-O 3.35Å; I719-L726 VanDerWaalsContact N-O 3.15Å; I719-L726 PolarHBondContact O-N 3.2Å; I719-L726 VanDerWaalsContact O-N 3.15Å; I719-H728 HydrophobicContact CD1-CB 4.31Å
720	S	67.7	Low	73.5	Confident	62 Å²	62	70.2 Å²	70.2	43%	0.434	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.6	174.6	-179.8	0	0	0	0	109.2
721	N	53.9	Low	74.6	Confident	91 Å²	91	67.9 Å²	67.9	49%	0.487	36%	0.363	S	S	.	.			trans	-97.8	151.4	161.8	-73	-18.1	0	0	0	108.9	I719 M723 D724	I719-N721 PolarHBondContact O-N 3.49Å; N721-M723 PolarHBondContact O-N 2.83Å; N721-D724 WeakPolarHBondContact CB-O 3.32Å; N721-D724 PolarHBondContact N-O 3.25Å; N721-D724 VanDerWaalsContact N-O 3.09Å; N721-D724 PolarHBondContact O-N 2.67Å
722	S	51.1	Low	75.5	Confident	132 Å²	132	66.8 Å²	66.8	92%	0.923	36%	0.357	S	S	*	.	S	Bend	trans	-56.8	-9.1	-172.8	56.9	0	0	0	0	116
723	M	49.2	Very low	76	Confident	174 Å²	174	64.5 Å²	64.5	86%	0.857	35%	0.345	S	S	*	.	S	Bend	trans	-128.5	-24.6	177.6	-74.5	-88	-159.7	0	0	113.8	N721	N721-M723 PolarHBondContact O-N 2.83Å
724	D	49.5	Very low	76.2	Confident	118 Å²	118	64.4 Å²	64.4	63%	0.631	35%	0.345	S	S	*	.			trans	-146.8	143.8	-173.4	-75.3	-48.5	0	0	0	112.5	N721 L726	N721-D724 WeakPolarHBondContact CB-O 3.32Å; N721-D724 PolarHBondContact N-O 3.25Å; N721-D724 VanDerWaalsContact N-O 3.09Å; N721-D724 PolarHBondContact O-N 2.67Å; D724-L726 PolarHBondContact O-N 2.91Å
725	T	53.7	Low	76.2	Confident	93 Å²	93	60.5 Å²	60.5	57%	0.571	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	102.7	167.4	41	0	0	0	0	109.8	I718 I719 N727	I718-T725 HydrophobicContact CG2-CG2 4.44Å; I719-T725 WeakPolarHBondContact O-CA 3.21Å; T725-N727 PolarHBondContact O-N 2.82Å
726	L	59	Low	75.8	Confident	109 Å²	109	62.7 Å²	62.7	57%	0.571	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.4	172.1	-141	86.2	0	0	0	108.3	I719 D724	I719-L726 WeakPolarHBondContact CB-O 3.49Å; I719-L726 PolarHBondContact N-O 3.35Å; I719-L726 VanDerWaalsContact N-O 3.15Å; I719-L726 PolarHBondContact O-N 3.2Å; I719-L726 VanDerWaalsContact O-N 3.15Å; D724-L726 PolarHBondContact O-N 2.91Å
727	N	66.3	Low	75.1	Confident	81 Å²	81	61.9 Å²	61.9	43%	0.433	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.9	175.5	-71.2	-41.6	0	0	0	109	K716 T725	K716-N727 HydrophobicContact CD-CB 3.94Å; T725-N727 PolarHBondContact O-N 2.82Å
728	H	80	Confident	74.1	Confident	101 Å²	101	67.8 Å²	67.8	47%	0.468	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	112	171.7	-171.4	64	0	0	0	109	K716 Q717 I719	K716-H728 CarbonylContact C-O 3.53Å; K716-H728 WeakPolarHBondContact CA-O 3.45Å; K716-H728 WeakPolarHBondContact CB-O 3.45Å; Q717-H728 PolarHBondContact N-O 3.16Å; Q717-H728 PolarHBondContact O-N 2.84Å; Q717-H728 VanDerWaalsContact O-N 3.15Å; I719-H728 HydrophobicContact CD1-CB 4.31Å
729	Q	86.9	Confident	73	Confident	109 Å²	109	69.3 Å²	69.3	51%	0.509	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.3	175.3	-175.9	165.6	-10.7	0	0	109.5	S778	Q729-S778 PolarHBondContact NE2-OG 3.41Å
730	L	90.6	Very high	72	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138	-179.1	-60.4	172.4	0	0	0	109.7	A715 Q717 S754 I756 I766	A715-L730 HydrophobicContact CB-CB 4Å; A715-L730 HydrophobicContact CB-CD1 4.19Å; A715-L730 PolarHBondContact O-N 2.98Å; Q717-L730 HydrophobicContact CB-CD1 4.41Å; Q717-L730 HydrophobicContact CB-CD2 4.46Å; L730-S754 VanDerWaalsContact CA-OG 3.27Å; L730-S754 WeakPolarHBondContact CA-OG 3.28Å; L730-S754 WeakPolarHBondContact CB-OG 3.32Å; L730-S754 VanDerWaalsContact CD2-OG 3.28Å; L730-S754 WeakPolarHBondContact CD2-OG 3.49Å; L730-I756 HydrophobicContact CD1-CD1 3.77Å; L730-I756 HydrophobicContact CD1-CG1 4.16Å; L730-I756 HydrophobicContact CD2-CG1 4.31Å; L730-I766 HydrophobicContact CD1-CG2 4.13Å
731	D	91	Very high	71.1	Confident	74 Å²	74	75.1 Å²	75.1	40%	0.396	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-77.1	150.4	169.7	-62.6	-40.3	0	0	0	110.1	L753 S754 S778	D731-L753 CarbonylContact O-C 3.54Å; D731-L753 WeakPolarHBondContact O-CA 3.44Å; D731-S754 PolarHBondContact N-OG 2.98Å; D731-S754 PolarHBondContact O-N 3.35Å; D731-S778 CarbonylContact C-O 3.45Å; D731-S778 VanDerWaalsContact CA-O 3.23Å; D731-S778 WeakPolarHBondContact CA-O 3.17Å; D731-S778 WeakPolarHBondContact OD1-CA 3.19Å
732	I	92.8	Very high	70.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125	-176.9	-55.7	-178.2	0	0	0	108.9	F713 A715 L751 Y752 L753 L768 S778 M779 V780	F713-I732 HydrophobicContact CB-CD1 3.71Å; A715-I732 HydrophobicContact CB-CD1 3.81Å; A715-I732 HydrophobicContact CB-CG1 4.18Å; I732-L751 HydrophobicContact CG2-CB 4.27Å; I732-L751 HydrophobicContact CG2-CD2 4.31Å; I732-L751 HydrophobicContact CG2-CG 4.06Å; I732-Y752 CarbonylContact C-O 3.55Å; I732-Y752 WeakPolarHBondContact CA-O 2.96Å; I732-L753 HydrophobicContact CD1-CD2 4.13Å; I732-L753 HydrophobicContact CG1-CD2 3.78Å; I732-L753 HydrophobicContact CG2-CD2 4.46Å; I732-L768 HydrophobicContact CD1-CD1 4.43Å; I732-S778 PolarHBondContact N-O 3.28Å; I732-M779 HydrophobicContact CB-CB 4.32Å; I732-M779 HydrophobicContact CB-CG 3.98Å; I732-M779 HydrophobicContact CG2-CG 4.09Å; I732-M779 CarbonylContact O-C 3.56Å; I732-M779 VanDerWaalsContact O-CA 3.29Å; I732-M779 WeakPolarHBondContact O-CA 3.37Å; I732-V780 PolarHBondContact O-N 3.44Å
733	Q	93.6	Very high	70.7	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121	162.7	177.7	175.7	-44.6	0	0	108.4	Y752 V780 V782 N877 L878 V879	Q733-Y752 HydrophobicContact CB-CD2 4.39Å; Q733-Y752 HydrophobicContact CG-CD2 4.32Å; Q733-Y752 PolarHBondContact N-O 3.37Å; Q733-Y752 PolarHBondContact O-N 3.34Å; Q733-V780 WeakPolarHBondContact CA-O 3.38Å; Q733-V782 HydrophobicContact CG-CG2 3.71Å; Q733-N877 WeakPolarHBondContact CB-OD1 3.21Å; Q733-N877 PolarHBondContact OE1-OD1 3.02Å; Q733-L878 HydrophobicContact CB-CB 4.01Å; Q733-L878 HydrophobicContact CB-CD1 3.95Å; Q733-L878 HydrophobicContact CB-CG 4.12Å; Q733-V879 PolarHBondContact NE2-O 2.97Å; Q733-V879 PolarHBondContact OE1-O 2.94Å
734	L	91.1	Very high	71	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.8	-176.2	176.5	66.6	0	0	0	110.2	L751 M779 V780 Q781 V782	L734-L751 HydrophobicContact CD1-CD1 3.57Å; L734-L751 HydrophobicContact CD1-CG 4.07Å; L734-M779 HydrophobicContact CB-CG 4.37Å; L734-M779 HydrophobicContact CB-SD 4.42Å; L734-M779 HydrophobicContact CD2-CE 3.96Å; L734-M779 HydrophobicContact CD2-SD 3.95Å; L734-V780 PolarHBondContact N-O 3.48Å; L734-Q781 HydrophobicContact CD2-CG 4.41Å; L734-Q781 WeakPolarHBondContact O-CA 3.48Å; L734-V782 PolarHBondContact O-N 3.43Å
735	E	88.7	Confident	71.7	Confident	3 Å²	3	78.3 Å²	78.3	1%	0.014	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.2	169.6	179.7	176.8	144.6	0	0	109.5	L750 P784 R872	E735-L750 HydrophobicContact CB-CB 4.31Å; E735-L750 PolarHBondContact N-O 2.83Å; E735-L750 PolarHBondContact O-N 3Å; E735-P784 VanDerWaalsContact CD-CG 3.5Å; E735-P784 HydrophobicContact CG-CG 3.83Å; E735-R872 IonicContact OE1-CZ 2.76Å; E735-R872 VanDerWaalsContact OE1-CZ 3.28Å; E735-R872 IonicContact OE1-NH1 2.98Å; E735-R872 PolarHBondContact OE1-NH1 3.43Å; E735-R872 IonicContact OE1-NH2 2.77Å; E735-R872 PolarHBondContact OE1-NH2 2.78Å; E735-R872 VanDerWaalsContact OE1-NH2 3.17Å
736	H	82.8	Confident	72.7	Confident	51 Å²	51	77 Å²	77	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.1	170	-62.5	-48.6	0	0	0	109.8	L710 S749 Q781	L710-H736 PolarHBondContact N-CE1 3.04Å; H736-S749 PolarHBondContact CE1-OG 3.29Å; H736-S749 PolarHBondContact ND1-OG 3.28Å; H736-Q781 PolarHBondContact CD2-NE2 2.87Å; H736-Q781 PolarHBondContact NE2-NE2 2.77Å
737	S	75.2	Confident	73.6	Confident	44 Å²	44	73.7 Å²	73.7	31%	0.308	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	178	178	-167.1	0	0	0	0	110.2	V748	S737-V748 CarbonylContact C-O 3.52Å; S737-V748 PolarHBondContact N-O 2.91Å; S737-V748 PolarHBondContact O-N 3.04Å
738	F	69.9	Low	74.5	Confident	133 Å²	133	70 Å²	70	58%	0.583	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	173.1	-63.1	-87.9	0	0	0	108	Q745 P747	F738-Q745 HydrophobicContact CD1-CB 4.44Å; F738-P747 HydrophobicContact CE1-CB 4.39Å
739	I	62.4	Low	74.9	Confident	43 Å²	43	65.2 Å²	65.2	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.3	166.1	-62.1	-174.1	0	0	0	107.6	P668 L670 D741 Q746 V748	P668-I739 HydrophobicContact CG-CD1 3.69Å; L670-I739 HydrophobicContact CD2-CD1 4.07Å; I739-D741 PolarHBondContact O-N 3.3Å; I739-Q746 PolarHBondContact N-O 2.85Å; I739-Q746 PolarHBondContact O-N 2.81Å; I739-V748 HydrophobicContact CB-CG2 4.16Å; I739-V748 HydrophobicContact CD1-CB 4.2Å; I739-V748 HydrophobicContact CD1-CG1 4.14Å; I739-V748 HydrophobicContact CD1-CG2 3.66Å; I739-V748 HydrophobicContact CG1-CB 4.02Å; I739-V748 HydrophobicContact CG1-CG1 4.4Å; I739-V748 HydrophobicContact CG1-CG2 3.64Å
740	H	55.9	Low	75.1	Confident	144 Å²	144	61.1 Å²	61.1	67%	0.667	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	94.5	171.9	-136.7	81.6	0	0	0	107.8
741	D	49.3	Very low	75.3	Confident	74 Å²	74	61.1 Å²	61.1	40%	0.396	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.6	162.8	-175.5	4.2	0	0	0	107.6	I739 H743 K744	I739-D741 PolarHBondContact O-N 3.3Å; D741-H743 PolarHBondContact O-N 2.81Å; D741-K744 PolarHBondContact N-O 2.99Å; D741-K744 VanDerWaalsContact N-O 3.09Å; D741-K744 PolarHBondContact O-N 3.4Å
742	Q	49.5	Very low	75.5	Confident	119 Å²	119	58 Å²	58	56%	0.556	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-18.6	-166.1	-65.1	-177.7	13.2	0	0	115.2
743	H	47.9	Very low	75.5	Confident	176 Å²	176	58 Å²	58	82%	0.815	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-0.6	173.3	-64.1	-63.2	0	0	0	116.7	D741	D741-H743 PolarHBondContact O-N 2.81Å
744	K	56.1	Low	75.4	Confident	157 Å²	157	58.4 Å²	58.4	68%	0.683	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	137	-176.1	-68.9	-175.7	-177.1	174.4	0	112.8	D741 Q746	D741-K744 PolarHBondContact N-O 2.99Å; D741-K744 VanDerWaalsContact N-O 3.09Å; D741-K744 PolarHBondContact O-N 3.4Å; K744-Q746 PolarHBondContact O-N 3.37Å
745	Q	62.6	Low	75.4	Confident	131 Å²	131	60 Å²	60	61%	0.612	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	112	164.1	-74.6	-180	-15.9	0	0	108.7	F738	F738-Q745 HydrophobicContact CD1-CB 4.44Å
746	Q	74.6	Confident	75.5	Confident	66 Å²	66	59.9 Å²	59.9	31%	0.308	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.3	172.7	-171.6	172.2	0.3	0	0	109.3	I739 K744 V748	I739-Q746 PolarHBondContact N-O 2.85Å; I739-Q746 PolarHBondContact O-N 2.81Å; K744-Q746 PolarHBondContact O-N 3.37Å; Q746-V748 PolarHBondContact O-N 3.3Å
747	P	79.2	Confident	75.8	Confident	39 Å²	39	62.3 Å²	62.3	25%	0.253	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.6	174.9	27.2	-32.4	0	0	0	110	H708 H709 F738	H708-P747 PolarHBondContact N-O 3.45Å; H709-P747 HydrophobicContact CB-CB 4Å; F738-P747 HydrophobicContact CE1-CB 4.39Å
748	V	85.6	Confident	76.6	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.5	179.4	174.7	0	0	0	0	109.7	L670 H705 S737 I739 Q746	L670-V748 HydrophobicContact CD1-CG2 3.75Å; L670-V748 HydrophobicContact CD2-CG1 3.77Å; L670-V748 HydrophobicContact CD2-CG2 3.97Å; H705-V748 HydrophobicContact CB-CG1 4.34Å; S737-V748 CarbonylContact C-O 3.52Å; S737-V748 PolarHBondContact N-O 2.91Å; S737-V748 PolarHBondContact O-N 3.04Å; I739-V748 HydrophobicContact CB-CG2 4.16Å; I739-V748 HydrophobicContact CD1-CB 4.2Å; I739-V748 HydrophobicContact CD1-CG1 4.14Å; I739-V748 HydrophobicContact CD1-CG2 3.66Å; I739-V748 HydrophobicContact CG1-CB 4.02Å; I739-V748 HydrophobicContact CG1-CG1 4.4Å; I739-V748 HydrophobicContact CG1-CG2 3.64Å; Q746-V748 PolarHBondContact O-N 3.3Å
749	S	88.3	Confident	77.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.3	174.4	-66	0	0	0	0	109.7	V706 H708 H736	V706-S749 PolarHBondContact N-O 3.26Å; V706-S749 PolarHBondContact O-N 2.98Å; H708-S749 PolarHBondContact O-OG 3.19Å; H736-S749 PolarHBondContact CE1-OG 3.29Å; H736-S749 PolarHBondContact ND1-OG 3.28Å
750	L	91.1	Very high	79.1	Confident	22 Å²	22	53.1 Å²	53.1	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.6	174.2	-172	63.2	0	0	0	108.9	T703 H705 E735 Y752	T703-L750 HydrophobicContact CG2-CD1 3.28Å; T703-L750 HydrophobicContact CG2-CG 4.11Å; H705-L750 VanDerWaalsContact NE2-CD1 3.35Å; H705-L750 WeakPolarHBondContact NE2-CD1 3.45Å; E735-L750 HydrophobicContact CB-CB 4.31Å; E735-L750 PolarHBondContact N-O 2.83Å; E735-L750 PolarHBondContact O-N 3Å; L750-Y752 HydrophobicContact CD2-CE2 3.68Å; L750-Y752 WeakPolarHBondContact CD2-OH 3.24Å; L750-Y752 HydrophobicContact CG-CE2 3.88Å
751	L	93.4	Very high	81	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.5	179.6	-77	66.7	0	0	0	108.8	T703 L704 V706 F713 I732 L734 L768	T703-L751 CarbonylContact C-O 3.6Å; T703-L751 WeakPolarHBondContact CA-O 3.33Å; L704-L751 HydrophobicContact CB-CB 4.36Å; L704-L751 PolarHBondContact N-O 2.98Å; L704-L751 PolarHBondContact O-N 2.86Å; V706-L751 HydrophobicContact CB-CD1 4.09Å; V706-L751 HydrophobicContact CG2-CD1 3.73Å; V706-L751 HydrophobicContact CG2-CD2 4.1Å; F713-L751 HydrophobicContact CB-CD2 4.13Å; F713-L751 HydrophobicContact CD1-CD2 4.28Å; F713-L751 HydrophobicContact CD2-CD1 4.37Å; F713-L751 HydrophobicContact CD2-CD2 3.76Å; F713-L751 HydrophobicContact CD2-CG 4.34Å; F713-L751 HydrophobicContact CE2-CD1 4.19Å; F713-L751 HydrophobicContact CE2-CD2 4.22Å; F713-L751 HydrophobicContact CG-CD2 3.79Å; I732-L751 HydrophobicContact CG2-CB 4.27Å; I732-L751 HydrophobicContact CG2-CD2 4.31Å; I732-L751 HydrophobicContact CG2-CG 4.06Å; L734-L751 HydrophobicContact CD1-CD1 3.57Å; L734-L751 HydrophobicContact CD1-CG 4.07Å; L751-L768 HydrophobicContact CD2-CD1 4.1Å; L751-L768 HydrophobicContact CD2-CD2 4.34Å
752	Y	94.7	Very high	83.3	Confident	9 Å²	9	42.7 Å²	42.7	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.7	163.9	-56.8	-89.1	0	0	0	108.4	I701 I702 T703 I732 Q733 L750 L878 V879	I701-Y752 HydrophobicContact CG2-CD1 4.07Å; I701-Y752 HydrophobicContact CG2-CG 4.5Å; I702-Y752 WeakPolarHBondContact O-CA 3.03Å; T703-Y752 HydrophobicContact CG2-CD1 4.32Å; T703-Y752 HydrophobicContact CG2-CE1 4.13Å; T703-Y752 WeakPolarHBondContact OG1-CD1 3.46Å; T703-Y752 WeakPolarHBondContact OG1-CE1 3.25Å; I732-Y752 CarbonylContact C-O 3.55Å; I732-Y752 WeakPolarHBondContact CA-O 2.96Å; Q733-Y752 HydrophobicContact CB-CD2 4.39Å; Q733-Y752 HydrophobicContact CG-CD2 4.32Å; Q733-Y752 PolarHBondContact N-O 3.37Å; Q733-Y752 PolarHBondContact O-N 3.34Å; L750-Y752 HydrophobicContact CD2-CE2 3.68Å; L750-Y752 WeakPolarHBondContact CD2-OH 3.24Å; L750-Y752 HydrophobicContact CG-CE2 3.88Å; Y752-L878 WeakPolarHBondContact O-CD1 3.27Å; Y752-V879 HydrophobicContact CD1-CB 4.43Å; Y752-V879 HydrophobicContact CD1-CG2 3.53Å; Y752-V879 HydrophobicContact CD2-CG2 4.38Å; Y752-V879 HydrophobicContact CE1-CB 4.38Å; Y752-V879 HydrophobicContact CE1-CG1 4.4Å; Y752-V879 HydrophobicContact CE1-CG2 3.81Å; Y752-V879 HydrophobicContact CG-CG2 3.83Å
753	L	94.5	Very high	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	142.4	176.2	-53.3	-175.8	0	0	0	109.8	I701 I702 L704 A715 D731 I732 I756 I766	I701-L753 WeakPolarHBondContact CA-O 3.46Å; I701-L753 WeakPolarHBondContact CG2-O 3.48Å; I702-L753 HydrophobicContact CB-CB 4.38Å; I702-L753 HydrophobicContact CB-CD1 4.45Å; I702-L753 PolarHBondContact N-O 3.04Å; I702-L753 PolarHBondContact O-N 3.25Å; L704-L753 HydrophobicContact CD1-CD1 3.77Å; L704-L753 HydrophobicContact CD1-CG 4.33Å; L704-L753 HydrophobicContact CG-CD1 4.47Å; A715-L753 HydrophobicContact CB-CD1 4.47Å; A715-L753 HydrophobicContact CB-CD2 3.87Å; D731-L753 CarbonylContact O-C 3.54Å; D731-L753 WeakPolarHBondContact O-CA 3.44Å; I732-L753 HydrophobicContact CD1-CD2 4.13Å; I732-L753 HydrophobicContact CG1-CD2 3.78Å; I732-L753 HydrophobicContact CG2-CD2 4.46Å; L753-I756 HydrophobicContact CB-CD1 4.3Å; L753-I756 HydrophobicContact CD1-CD1 4.17Å; L753-I766 HydrophobicContact CD1-CD1 4.37Å; L753-I766 HydrophobicContact CD1-CG2 4.16Å
754	S	91.1	Very high	87.7	Confident	10 Å²	10	28.8 Å²	28.8	7%	0.07	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	156.8	175.2	65.7	0	0	0	0	111.7	L730 D731 I756	L730-S754 VanDerWaalsContact CA-OG 3.27Å; L730-S754 WeakPolarHBondContact CA-OG 3.28Å; L730-S754 WeakPolarHBondContact CB-OG 3.32Å; L730-S754 VanDerWaalsContact CD2-OG 3.28Å; L730-S754 WeakPolarHBondContact CD2-OG 3.49Å; D731-S754 PolarHBondContact N-OG 2.98Å; D731-S754 PolarHBondContact O-N 3.35Å; S754-I756 VanDerWaalsContact O-CG1 3.22Å; S754-I756 WeakPolarHBondContact O-CG1 3.23Å; S754-I756 PolarHBondContact O-N 2.92Å; S754-I756 VanDerWaalsContact O-N 3.15Å
755	P	90	Very high	89.5	Confident	36 Å²	36	21.3 Å²	21.3	23%	0.234	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	122	-169.5	-24.3	32.9	0	0	0	112.8	K700 I701	K700-P755 WeakPolarHBondContact O-CA 3.32Å; I701-P755 HydrophobicContact CG1-CG 3.98Å
756	I	91.1	Very high	91	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.5	-177.4	-55.5	-167.5	0	0	0	108.7	S699 K700 I702 Q717 L730 L753 S754 L758 I764 I766	S699-I756 VanDerWaalsContact CA-O 3.27Å; S699-I756 WeakPolarHBondContact CA-O 3.45Å; K700-I756 PolarHBondContact N-O 3Å; K700-I756 VanDerWaalsContact N-O 3.16Å; K700-I756 PolarHBondContact O-N 3.41Å; I702-I756 HydrophobicContact CB-CD1 4.12Å; I702-I756 HydrophobicContact CG1-CB 4.2Å; I702-I756 HydrophobicContact CG1-CD1 3.54Å; I702-I756 HydrophobicContact CG1-CG1 3.9Å; Q717-I756 HydrophobicContact CG-CG2 4.44Å; L730-I756 HydrophobicContact CD1-CD1 3.77Å; L730-I756 HydrophobicContact CD1-CG1 4.16Å; L730-I756 HydrophobicContact CD2-CG1 4.31Å; L753-I756 HydrophobicContact CB-CD1 4.3Å; L753-I756 HydrophobicContact CD1-CD1 4.17Å; S754-I756 VanDerWaalsContact O-CG1 3.22Å; S754-I756 WeakPolarHBondContact O-CG1 3.23Å; S754-I756 PolarHBondContact O-N 2.92Å; S754-I756 VanDerWaalsContact O-N 3.15Å; I756-L758 HydrophobicContact CG2-CD2 4.21Å; I756-L758 PolarHBondContact O-N 3.32Å; I756-I764 HydrophobicContact CG2-CD1 3.74Å; I756-I766 HydrophobicContact CD1-CD1 3.16Å; I756-I766 HydrophobicContact CD1-CG1 3.79Å
757	K	89.1	Confident	91.8	Very high	102 Å²	102	13.1 Å²	13.1	44%	0.443	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.2	177.3	-173	170.3	-173.7	171.1	0	110.1	Q717 Y759	Q717-K757 PolarHBondContact NE2-O 2.91Å; K757-Y759 HydrophobicContact CD-CE1 4.3Å; K757-Y759 HydrophobicContact CG-CE1 4.43Å
758	L	91.9	Very high	92.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.9	-179.3	-57.6	176.2	0	0	0	109.8	I690 N692 N697 H698 K700 I756 I764 I1072	I690-L758 HydrophobicContact CB-CD2 4.4Å; I690-L758 HydrophobicContact CG2-CD2 3.88Å; N692-L758 HydrophobicContact CB-CB 4.07Å; N697-L758 VanDerWaalsContact CA-O 3.3Å; N697-L758 WeakPolarHBondContact CA-O 3.48Å; H698-L758 PolarHBondContact N-O 3.5Å; H698-L758 WeakPolarHBondContact O-CB 3.25Å; H698-L758 PolarHBondContact O-N 3.48Å; K700-L758 HydrophobicContact CB-CD1 4.35Å; I756-L758 HydrophobicContact CG2-CD2 4.21Å; I756-L758 PolarHBondContact O-N 3.32Å; L758-I764 HydrophobicContact CD2-CD1 4.03Å; L758-I764 HydrophobicContact CD2-CG1 3.67Å; L758-I1072 HydrophobicContact CD1-CG2 3.75Å
759	Y	92.5	Very high	92.3	Very high	26 Å²	26	12.8 Å²	12.8	10%	0.102	6%	0.063	C	C	.	.			trans	-96.8	163.4	177.8	-55.9	-73.7	0	0	0	111.6	N692 N697 K757 L761 S762 I764 K1095	N692-Y759 WeakPolarHBondContact CB-O 3.42Å; N692-Y759 PolarHBondContact ND2-O 3.28Å; N697-Y759 WeakPolarHBondContact OD1-CA 3.37Å; N697-Y759 WeakPolarHBondContact OD1-CD1 3.48Å; K757-Y759 HydrophobicContact CD-CE1 4.3Å; K757-Y759 HydrophobicContact CG-CE1 4.43Å; Y759-L761 PolarHBondContact O-N 3.01Å; Y759-S762 WeakPolarHBondContact CA-OG 3.31Å; Y759-S762 VanDerWaalsContact CB-OG 3.24Å; Y759-S762 WeakPolarHBondContact CB-OG 3.45Å; Y759-S762 PolarHBondContact N-OG 2.97Å; Y759-S762 PolarHBondContact O-OG 3.29Å; Y759-I764 HydrophobicContact CD2-CG2 4.07Å; Y759-I764 HydrophobicContact CE2-CG2 4.46Å; Y759-K1095 HydrophobicContact CD1-CB 4.28Å; Y759-K1095 HydrophobicContact CD1-CD 3.88Å; Y759-K1095 HydrophobicContact CD1-CG 3.99Å; Y759-K1095 HydrophobicContact CE1-CD 3.85Å; Y759-K1095 HydrophobicContact CE1-CG 4.46Å; Y759-K1095 HydrophobicContact CG-CD 4.32Å; Y759-K1095 HydrophobicContact CG-CG 4.28Å
760	P	93.2	Very high	92.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	130	-175.2	-20	38.1	0	0	0	111.3	S694 T695 N697 S762 I1093	S694-P760 CarbonylContact O-C 3.56Å; S694-P760 WeakPolarHBondContact O-CA 3.4Å; T695-P760 VanDerWaalsContact C-CB 3.43Å; N697-P760 WeakPolarHBondContact OD1-CD 3.16Å; P760-S762 PolarHBondContact O-N 2.85Å; P760-S762 VanDerWaalsContact O-N 3.17Å; P760-I1093 HydrophobicContact CB-CD1 3.69Å; P760-I1093 HydrophobicContact CB-CG1 3.84Å
761	L	96	Very high	91.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.6	54.3	179.6	-58.5	-176.3	0	0	0	111.8	I523 F691 N692 P693 S694 T695 Y759 L1092 I1093 L1104	I523-L761 HydrophobicContact CD1-CD2 4.36Å; I523-L761 HydrophobicContact CG2-CD1 4.38Å; F691-L761 HydrophobicContact CZ-CD2 4.3Å; N692-L761 WeakPolarHBondContact O-CA 3.34Å; N692-L761 PolarHBondContact O-N 2.96Å; P693-L761 VanDerWaalsContact O-CD2 3.25Å; P693-L761 WeakPolarHBondContact O-CD2 3.4Å; S694-L761 PolarHBondContact O-N 2.93Å; T695-L761 HydrophobicContact CG2-CD1 4.02Å; T695-L761 HydrophobicContact CG2-CD2 4.35Å; T695-L761 HydrophobicContact CG2-CG 4.05Å; Y759-L761 PolarHBondContact O-N 3.01Å; L761-L1092 HydrophobicContact CB-CB 4.04Å; L761-L1092 HydrophobicContact CB-CD1 4.24Å; L761-L1092 WeakPolarHBondContact O-CB 3.2Å; L761-L1092 WeakPolarHBondContact O-CG 3.33Å; L761-L1092 PolarHBondContact O-N 3.14Å; L761-I1093 HydrophobicContact CB-CD1 4.37Å; L761-I1093 HydrophobicContact CB-CG1 4.17Å; L761-I1093 HydrophobicContact CD1-CD1 4.05Å; L761-I1093 HydrophobicContact CD1-CG1 4.45Å; L761-I1093 HydrophobicContact CD1-CG2 4.13Å; L761-I1093 HydrophobicContact CG-CD1 4.14Å; L761-I1093 HydrophobicContact CG-CG1 4.47Å; L761-L1104 HydrophobicContact CD1-CD2 4.02Å
762	S	95.6	Very high	90.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.2	-170.2	74	0	0	0	0	112.4	F691 N692 Y759 P760 Y1090 N1091	F691-S762 WeakPolarHBondContact CA-O 3.38Å; F691-S762 WeakPolarHBondContact CD2-O 3.44Å; N692-S762 PolarHBondContact N-O 3.06Å; Y759-S762 WeakPolarHBondContact CA-OG 3.31Å; Y759-S762 VanDerWaalsContact CB-OG 3.24Å; Y759-S762 WeakPolarHBondContact CB-OG 3.45Å; Y759-S762 PolarHBondContact N-OG 2.97Å; Y759-S762 PolarHBondContact O-OG 3.29Å; P760-S762 PolarHBondContact O-N 2.85Å; P760-S762 VanDerWaalsContact O-N 3.17Å; S762-Y1090 CarbonylContact C-O 3.54Å; S762-Y1090 VanDerWaalsContact CA-O 3.26Å; S762-Y1090 WeakPolarHBondContact CA-O 3.36Å; S762-N1091 VanDerWaalsContact CB-OD1 3.23Å; S762-N1091 WeakPolarHBondContact CB-OD1 3.44Å
763	F	96.1	Very high	88.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.1	168.1	-64.2	-91.5	0	0	0	110.2	L524 S599 L602 L603 I690 F691 F1075 E1089 Y1090	L524-F763 HydrophobicContact CD2-CE2 3.87Å; L524-F763 HydrophobicContact CD2-CZ 3.65Å; S599-F763 WeakPolarHBondContact OG-CE1 3.15Å; S599-F763 VanDerWaalsContact OG-CZ 3.3Å; S599-F763 WeakPolarHBondContact OG-CZ 3.39Å; L602-F763 HydrophobicContact CD1-CE2 4.38Å; L603-F763 HydrophobicContact CD1-CD1 4.25Å; L603-F763 HydrophobicContact CD2-CB 3.7Å; L603-F763 HydrophobicContact CD2-CD1 4.22Å; L603-F763 HydrophobicContact CD2-CD2 4.38Å; L603-F763 HydrophobicContact CD2-CG 3.85Å; L603-F763 HydrophobicContact CG-CD1 4.37Å; L603-F763 HydrophobicContact CG-CG 4.35Å; I690-F763 CarbonylContact O-C 3.54Å; I690-F763 VanDerWaalsContact O-CA 3.3Å; I690-F763 WeakPolarHBondContact O-CA 3.18Å; F691-F763 HydrophobicContact CB-CD1 3.86Å; F691-F763 HydrophobicContact CB-CE1 3.63Å; F691-F763 HydrophobicContact CB-CZ 4.2Å; F691-F763 HydrophobicContact CD2-CD1 4Å; F691-F763 AromaticContact CD2-CD2 3.8Å; F691-F763 HydrophobicContact CD2-CD2 3.8Å; F691-F763 AromaticContact CD2-CE1 3.72Å; F691-F763 HydrophobicContact CD2-CE1 3.72Å; F691-F763 AromaticContact CD2-CE2 3.5Å; F691-F763 HydrophobicContact CD2-CE2 3.5Å; F691-F763 VanDerWaalsContact CD2-CE2 3.5Å; F691-F763 HydrophobicContact CD2-CG 4.04Å; F691-F763 AromaticContact CD2-CZ 3.45Å; F691-F763 HydrophobicContact CD2-CZ 3.45Å; F691-F763 VanDerWaalsContact CD2-CZ 3.45Å; F691-F763 HydrophobicContact CE2-CD2 4.3Å; F691-F763 AromaticContact CE2-CE2 3.84Å; F691-F763 HydrophobicContact CE2-CE2 3.84Å; F691-F763 HydrophobicContact CE2-CZ 4.07Å; F691-F763 HydrophobicContact CG-CD1 4.38Å; F691-F763 AromaticContact CG-CE1 3.95Å; F691-F763 HydrophobicContact CG-CE1 3.95Å; F691-F763 HydrophobicContact CG-CE2 4.46Å; F691-F763 AromaticContact CG-CZ 3.99Å; F691-F763 HydrophobicContact CG-CZ 3.99Å; F763-F1075 HydrophobicContact CE1-CE2 4.12Å; F763-E1089 VanDerWaalsContact O-CA 3.29Å; F763-E1089 WeakPolarHBondContact O-CA 3.38Å; F763-Y1090 HydrophobicContact CD2-CD1 4.18Å; F763-Y1090 PolarHBondContact N-O 3.15Å; F763-Y1090 PolarHBondContact O-N 3.35Å
764	I	94.4	Very high	87	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.8	167.4	61.6	84.1	0	0	0	110.1	Y689 I690 I756 L758 Y759 I766 T1088	Y689-I764 CarbonylContact C-O 3.54Å; Y689-I764 WeakPolarHBondContact CA-O 3.34Å; I690-I764 HydrophobicContact CB-CD1 3.76Å; I690-I764 HydrophobicContact CB-CG1 4.1Å; I690-I764 HydrophobicContact CD1-CD1 4.18Å; I690-I764 HydrophobicContact CG1-CD1 4.06Å; I690-I764 PolarHBondContact N-O 2.76Å; I690-I764 PolarHBondContact O-N 2.88Å; I756-I764 HydrophobicContact CG2-CD1 3.74Å; L758-I764 HydrophobicContact CD2-CD1 4.03Å; L758-I764 HydrophobicContact CD2-CG1 3.67Å; Y759-I764 HydrophobicContact CD2-CG2 4.07Å; Y759-I764 HydrophobicContact CE2-CG2 4.46Å; I764-I766 HydrophobicContact CD1-CD1 4.25Å; I764-I766 HydrophobicContact CD1-CG1 4.07Å; I764-T1088 CarbonylContact C-O 3.59Å
765	C	94.3	Very high	85.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.1	-178	-172.5	0	0	0	0	112.2	Y689 I718 T1088	Y689-C765 HydrophobicContact CD1-CB 4.05Å; Y689-C765 HydrophobicContact CE1-CB 3.67Å; I718-C765 HydrophobicContact CD1-CB 4.5Å; I718-C765 PolarHBondContact N-O 3.48Å; C765-T1088 HydrophobicContact CB-CG2 4.38Å; C765-T1088 VanDerWaalsContact CB-O 3.29Å; C765-T1088 WeakPolarHBondContact CB-O 3.36Å; C765-T1088 PolarHBondContact N-O 3.24Å
766	I	94	Very high	83.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.3	172.7	-58.1	158.4	0	0	0	108.2	R687 I688 I690 K716 L730 L753 I756 I764	R687-I766 WeakPolarHBondContact CA-O 3.32Å; I688-I766 HydrophobicContact CB-CB 4.47Å; I688-I766 PolarHBondContact N-O 3.04Å; I688-I766 PolarHBondContact O-N 3.04Å; I690-I766 HydrophobicContact CD1-CD1 3.35Å; I690-I766 HydrophobicContact CG1-CD1 3.93Å; K716-I766 WeakPolarHBondContact O-CA 3.22Å; L730-I766 HydrophobicContact CD1-CG2 4.13Å; L753-I766 HydrophobicContact CD1-CD1 4.37Å; L753-I766 HydrophobicContact CD1-CG2 4.16Å; I756-I766 HydrophobicContact CD1-CD1 3.16Å; I756-I766 HydrophobicContact CD1-CG1 3.79Å; I764-I766 HydrophobicContact CD1-CD1 4.25Å; I764-I766 HydrophobicContact CD1-CG1 4.07Å
767	E	90.9	Very high	82.1	Confident	25 Å²	25	37.6 Å²	37.6	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	166.9	-87.8	175.4	-173.1	0	0	109.6	T685 R686 R687 A715 K716 I718	T685-E767 HydrophobicContact CG2-CB 4.11Å; T685-E767 HydrophobicContact CG2-CG 3.83Å; R686-E767 WeakPolarHBondContact O-CA 3.38Å; R687-E767 HydrophobicContact CG-CG 3.76Å; R687-E767 IonicContact CZ-OE1 3.4Å; R687-E767 IonicContact NE-OE1 2.81Å; R687-E767 PolarHBondContact NE-OE1 3.16Å; R687-E767 IonicContact NH2-OE1 2.99Å; R687-E767 PolarHBondContact NH2-OE1 3.12Å; A715-E767 CarbonylContact C-O 3.55Å; A715-E767 VanDerWaalsContact CA-O 3.26Å; A715-E767 WeakPolarHBondContact CA-O 3.41Å; K716-E767 WeakPolarHBondContact CE-OE2 3.5Å; K716-E767 HydrophobicContact CG-CB 3.97Å; K716-E767 PolarHBondContact N-O 3.28Å; K716-E767 IonicContact NZ-OE2 2.75Å; K716-E767 PolarHBondContact NZ-OE2 2.92Å; K716-E767 PolarHBondContact O-N 3.48Å; I718-E767 HydrophobicContact CD1-CG 3.86Å; I718-E767 WeakPolarHBondContact CD1-OE1 3.42Å; I718-E767 HydrophobicContact CG1-CG 4.42Å
768	L	90.5	Very high	81.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	173.9	-178.5	65.4	0	0	0	108.6	F673 R686 I688 L704 F713 K714 A715 I732 L751	F673-L768 HydrophobicContact CE2-CD2 4.14Å; F673-L768 HydrophobicContact CZ-CD2 3.7Å; F673-L768 HydrophobicContact CZ-CG 3.91Å; R686-L768 PolarHBondContact N-O 3.35Å; R686-L768 PolarHBondContact O-N 2.87Å; I688-L768 HydrophobicContact CD1-CB 4.38Å; I688-L768 HydrophobicContact CD1-CD2 4.28Å; L704-L768 HydrophobicContact CD1-CD2 4.15Å; F713-L768 HydrophobicContact CB-CD1 3.95Å; F713-L768 HydrophobicContact CD1-CD1 4.09Å; F713-L768 HydrophobicContact CD1-CG 4.29Å; F713-L768 HydrophobicContact CG-CD1 4.32Å; K714-L768 WeakPolarHBondContact O-CA 3.41Å; A715-L768 HydrophobicContact CB-CD1 4.15Å; I732-L768 HydrophobicContact CD1-CD1 4.43Å; L751-L768 HydrophobicContact CD2-CD1 4.1Å; L751-L768 HydrophobicContact CD2-CD2 4.34Å
769	N	86.5	Confident	81.2	Confident	37 Å²	37	34.7 Å²	34.7	20%	0.198	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.6	-178.1	-172.3	-7.3	0	0	0	110.7	N684 T685 F713 K714	N684-N769 WeakPolarHBondContact O-CA 3.14Å; N684-N769 PolarHBondContact O-OD1 3.01Å; T685-N769 PolarHBondContact OG1-ND2 3.46Å; F713-N769 CarbonylContact C-O 3.6Å; F713-N769 WeakPolarHBondContact CA-O 2.99Å; K714-N769 PolarHBondContact N-O 3.2Å; K714-N769 PolarHBondContact O-N 3.08Å
770	V	83.3	Confident	80.9	Confident	32 Å²	32	36.3 Å²	36.3	19%	0.194	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.9	170.2	-176.2	0	0	0	0	109.5	F673 N684 M711 N712 F713	F673-V770 HydrophobicContact CB-CG2 4.1Å; F673-V770 HydrophobicContact CD1-CG2 3.24Å; F673-V770 HydrophobicContact CE1-CG2 3.66Å; F673-V770 HydrophobicContact CG-CG2 3.73Å; F673-V770 HydrophobicContact CZ-CG2 4.48Å; N684-V770 PolarHBondContact O-N 3.05Å; M711-V770 HydrophobicContact SD-CG2 4.34Å; N712-V770 CarbonylContact O-C 3.53Å; N712-V770 WeakPolarHBondContact O-CA 3.33Å; F713-V770 HydrophobicContact CD1-CG2 4.44Å; F713-V770 HydrophobicContact CE1-CG2 4.14Å
771	A	76.2	Confident	80.6	Confident	13 Å²	13	40.8 Å²	40.8	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130	177.9	0	0	0	0	0	111.3	N712 K714 T773	N712-A771 HydrophobicContact CB-CB 4.03Å; N712-A771 PolarHBondContact O-N 2.97Å; K714-A771 HydrophobicContact CD-CB 4.34Å; K714-A771 HydrophobicContact CG-CB 4.17Å; A771-T773 WeakPolarHBondContact CB-O 3.41Å; A771-T773 PolarHBondContact O-N 3.44Å
772	S	68.6	Low	80.4	Confident	123 Å²	123	41.4 Å²	41.4	86%	0.86	27%	0.265	S	S	*	.	S	Bend	trans	-67.6	-22.2	176.1	57.3	0	0	0	0	113.9
773	T	64.2	Low	80	Confident	85 Å²	85	49.6 Å²	49.6	52%	0.521	30%	0.3	S	S	.	.	S	Bend	trans	-127.9	148.2	176.6	46.8	0	0	0	0	108.8	A771 T775	A771-T773 WeakPolarHBondContact CB-O 3.41Å; A771-T773 PolarHBondContact O-N 3.44Å; T773-T775 PolarHBondContact O-N 3.1Å
774	A	58.3	Low	79.6	Confident	71 Å²	71	51.5 Å²	51.5	59%	0.587	31%	0.312	S	S	*	.			trans	-66.2	81	166.3	0	0	0	0	0	108	S776	A774-S776 PolarHBondContact O-N 3.29Å; A774-S776 VanDerWaalsContact O-N 3.14Å
775	T	53	Low	79.4	Confident	48 Å²	48	56.3 Å²	56.3	29%	0.294	34%	0.335	S	S	.	.			trans	-64.7	117.2	175.4	44.5	0	0	0	0	108.3	K714 T773 S777	K714-T775 WeakPolarHBondContact CE-OG1 3.41Å; T773-T775 PolarHBondContact O-N 3.1Å; T775-S777 VanDerWaalsContact C-N 3.34Å; T775-S777 PolarHBondContact O-N 3.04Å
776	S	53.2	Low	79.1	Confident	122 Å²	122	61.8 Å²	61.8	85%	0.853	36%	0.364	S	S	*	.	S	Bend	trans	-84.7	36.3	-149.3	57.1	0	0	0	0	116	A774	A774-S776 PolarHBondContact O-N 3.29Å; A774-S776 VanDerWaalsContact O-N 3.14Å
777	S	62.5	Low	78.9	Confident	103 Å²	103	63.2 Å²	63.2	72%	0.72	37%	0.371	S	S	*	.	S	Bend	trans	-148.3	-36.6	176.2	53.3	0	0	0	0	117.4	T775	T775-S777 VanDerWaalsContact C-N 3.34Å; T775-S777 PolarHBondContact O-N 3.04Å
778	S	76.6	Confident	78.8	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.028	39%	0.388	C	S	.	.	S	Bend	trans	-90.6	-5.1	-173.7	66.6	0	0	0	0	115.1	Q729 D731 I732	Q729-S778 PolarHBondContact NE2-OG 3.41Å; D731-S778 CarbonylContact C-O 3.45Å; D731-S778 VanDerWaalsContact CA-O 3.23Å; D731-S778 WeakPolarHBondContact CA-O 3.17Å; D731-S778 WeakPolarHBondContact OD1-CA 3.19Å; I732-S778 PolarHBondContact N-O 3.28Å
779	M	84.7	Confident	78.5	Confident	37 Å²	37	67 Å²	67	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	178.4	-171.2	-176.9	80.3	0	0	110.5	N712 F713 I732 L734	N712-M779 HydrophobicContact CB-CE 4.1Å; N712-M779 WeakPolarHBondContact OD1-CE 3.5Å; F713-M779 HydrophobicContact CB-SD 4.44Å; F713-M779 HydrophobicContact CD2-SD 4.45Å; F713-M779 PolarHBondContact N-SD 3.27Å; I732-M779 HydrophobicContact CB-CB 4.32Å; I732-M779 HydrophobicContact CB-CG 3.98Å; I732-M779 HydrophobicContact CG2-CG 4.09Å; I732-M779 CarbonylContact O-C 3.56Å; I732-M779 VanDerWaalsContact O-CA 3.29Å; I732-M779 WeakPolarHBondContact O-CA 3.37Å; L734-M779 HydrophobicContact CB-CG 4.37Å; L734-M779 HydrophobicContact CB-SD 4.42Å; L734-M779 HydrophobicContact CD2-CE 3.96Å; L734-M779 HydrophobicContact CD2-SD 3.95Å
780	V	87.4	Confident	78.1	Confident	60 Å²	60	68.5 Å²	68.5	36%	0.364	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.7	177	179.8	0	0	0	0	108.6	I732 Q733 L734 V782	I732-V780 PolarHBondContact O-N 3.44Å; Q733-V780 WeakPolarHBondContact CA-O 3.38Å; L734-V780 PolarHBondContact N-O 3.48Å; V780-V782 HydrophobicContact CG1-CG2 4.3Å
781	Q	87.3	Confident	77.3	Confident	95 Å²	95	73.2 Å²	73.2	44%	0.444	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.8	173.5	-171.5	-178.4	2.5	0	0	109.8	L734 H736	L734-Q781 HydrophobicContact CD2-CG 4.41Å; L734-Q781 WeakPolarHBondContact O-CA 3.48Å; H736-Q781 PolarHBondContact CD2-NE2 2.87Å; H736-Q781 PolarHBondContact NE2-NE2 2.77Å
782	V	90.4	Very high	76.6	Confident	13 Å²	13	77.6 Å²	77.6	8%	0.079	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.5	179.5	-175.3	0	0	0	0	109.7	Q733 L734 V780 T874 K875	Q733-V782 HydrophobicContact CG-CG2 3.71Å; L734-V782 PolarHBondContact O-N 3.43Å; V780-V782 HydrophobicContact CG1-CG2 4.3Å; V782-T874 HydrophobicContact CB-CG2 4.39Å; V782-T874 HydrophobicContact CG1-CG2 3.49Å; V782-T874 VanDerWaalsContact CG1-CG2 3.49Å; V782-K875 WeakPolarHBondContact CG1-O 3.48Å
783	K	86.8	Confident	76.1	Confident	172 Å²	172	76 Å²	76	75%	0.748	44%	0.444	S	S	*	.			trans	-111.1	109.6	173.9	-69.6	-176.3	-180	179.8	0	109.3
784	P	88.8	Confident	75.7	Confident	39 Å²	39	78.3 Å²	78.3	25%	0.253	45%	0.449	S	S	.	.			trans	-59.9	145.7	173.9	-23.6	33.9	0	0	0	111.7	E735 R872 T874	E735-P784 VanDerWaalsContact CD-CG 3.5Å; E735-P784 HydrophobicContact CG-CG 3.83Å; P784-R872 HydrophobicContact CB-CG 3.69Å; P784-T874 WeakPolarHBondContact CB-OG1 3.27Å; P784-T874 HydrophobicContact CG-CG2 4.47Å; P784-T874 WeakPolarHBondContact CG-OG1 3.44Å
785	Q	88.8	Confident	75.3	Confident	103 Å²	103	77.5 Å²	77.5	48%	0.481	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.7	174.4	-65.7	-174.3	24.9	0	0	110	R872 Y873	Q785-R872 CarbonylContact O-C 3.54Å; Q785-R872 VanDerWaalsContact O-CA 3.28Å; Q785-R872 WeakPolarHBondContact O-CA 3.5Å; Q785-Y873 HydrophobicContact CB-CD1 3.84Å; Q785-Y873 HydrophobicContact CB-CE1 3.42Å; Q785-Y873 VanDerWaalsContact CB-CE1 3.42Å; Q785-Y873 VanDerWaalsContact CD-CZ 3.48Å; Q785-Y873 HydrophobicContact CG-CE1 4.05Å; Q785-Y873 PolarHBondContact N-O 2.8Å; Q785-Y873 PolarHBondContact NE2-OH 3.47Å; Q785-Y873 VanDerWaalsContact NE2-OH 3.11Å; Q785-Y873 PolarHBondContact O-N 2.98Å; Q785-Y873 VanDerWaalsContact OE1-CE1 3.28Å; Q785-Y873 VanDerWaalsContact OE1-CZ 3.25Å; Q785-Y873 PolarHBondContact OE1-OH 2.81Å
786	L	89.8	Confident	75.4	Confident	116 Å²	116	82.7 Å²	82.7	61%	0.607	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.6	175.5	-176.3	68.2	0	0	0	109.9	R872 Y885	L786-R872 HydrophobicContact CD1-CB 4.13Å; L786-Y885 HydrophobicContact CD1-CD2 4.37Å; L786-Y885 HydrophobicContact CD1-CE2 3.94Å
787	I	90	Very high	75.5	Confident	30 Å²	30	82.5 Å²	82.5	15%	0.154	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.8	-176.7	-63.7	176.2	0	0	0	109.4	R800 S870 Y871 Y873	I787-R800 VanDerWaalsContact CG2-CZ 3.43Å; I787-S870 CarbonylContact O-C 3.49Å; I787-S870 WeakPolarHBondContact O-CA 3.28Å; I787-S870 VanDerWaalsContact O-CB 3.25Å; I787-S870 WeakPolarHBondContact O-CB 3.38Å; I787-Y871 HydrophobicContact CB-CD1 4.47Å; I787-Y871 HydrophobicContact CB-CD2 4.35Å; I787-Y871 HydrophobicContact CB-CE1 4.07Å; I787-Y871 HydrophobicContact CB-CE2 3.92Å; I787-Y871 HydrophobicContact CD1-CE2 3.62Å; I787-Y871 HydrophobicContact CG1-CE2 4.22Å; I787-Y871 HydrophobicContact CG2-CE1 3.79Å; I787-Y871 HydrophobicContact CG2-CE2 4.33Å; I787-Y871 PolarHBondContact N-O 3.34Å; I787-Y871 PolarHBondContact O-N 3.46Å; I787-Y873 HydrophobicContact CD1-CD1 3.85Å; I787-Y873 HydrophobicContact CD1-CE1 3.69Å
788	P	88.5	Confident	75.1	Confident	73 Å²	73	84 Å²	84	47%	0.474	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.4	170.8	29.7	-32.7	0	0	0	110.8	I790 R800	P788-I790 HydrophobicContact CB-CG1 4.43Å; P788-I790 HydrophobicContact CG-CD1 4.39Å; P788-I790 HydrophobicContact CG-CG1 4.44Å; P788-R800 PolarHBondContact O-NH2 3.14Å; P788-R800 VanDerWaalsContact O-NH2 3.12Å
789	V	84.5	Confident	74.3	Confident	30 Å²	30	92.2 Å²	92.2	18%	0.182	49%	0.492	C	S	.	.			trans	-84.3	123	169.1	179.5	0	0	0	0	107.4	K817 P868 K869 Y871	V789-K817 WeakPolarHBondContact CG1-O 3.46Å; V789-K817 WeakPolarHBondContact CG2-O 3.27Å; V789-P868 WeakPolarHBondContact CB-O 3.48Å; V789-P868 WeakPolarHBondContact CG1-O 3.21Å; V789-P868 HydrophobicContact CG2-CB 4.14Å; V789-P868 WeakPolarHBondContact CG2-O 3.33Å; V789-K869 PolarHBondContact N-O 3.36Å; V789-Y871 HydrophobicContact CG2-CD1 3.99Å; V789-Y871 HydrophobicContact CG2-CE1 4.47Å
790	I	76.8	Confident	73.4	Confident	70 Å²	70	94.2 Å²	94.2	36%	0.359	50%	0.497	S	S	.	.			trans	-119.9	145.6	-173.4	-52.8	175.6	0	0	0	108.7	P788 E794	P788-I790 HydrophobicContact CB-CG1 4.43Å; P788-I790 HydrophobicContact CG-CD1 4.39Å; P788-I790 HydrophobicContact CG-CG1 4.44Å; I790-E794 HydrophobicContact CG2-CB 3.57Å; I790-E794 HydrophobicContact CG2-CG 4.15Å; I790-E794 WeakPolarHBondContact CG2-OE2 2.95Å
791	N	66.4	Low	72.5	Confident	131 Å²	131	96.6 Å²	96.6	70%	0.701	51%	0.514	S	S	*	.			trans	-62.9	150.3	177.9	-70.2	-16.2	0	0	0	112.4	A793 E794	N791-A793 PolarHBondContact O-N 2.97Å; N791-E794 PolarHBondContact O-N 2.85Å; N791-E794 VanDerWaalsContact O-N 3.09Å
792	D	62.3	Low	72.3	Confident	104 Å²	104	98.6 Å²	98.6	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-52.8	-28.4	-171	-75.4	-50.1	0	0	0	114.8	E794 M795 K817	D792-E794 VanDerWaalsContact C-N 3.34Å; D792-E794 PolarHBondContact O-N 2.57Å; D792-M795 PolarHBondContact O-N 3.41Å; D792-K817 IonicContact OD1-NZ 3.9Å; D792-K817 PolarHBondContact OD1-NZ 2.88Å
793	A	58.4	Low	72.4	Confident	90 Å²	90	98.6 Å²	98.6	74%	0.744	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-31.3	-179.7	0	0	0	0	0	114.2	N791	N791-A793 PolarHBondContact O-N 2.97Å
794	E	54.6	Low	72.8	Confident	134 Å²	134	92.5 Å²	92.5	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-92.8	-17.8	179.9	-67.6	-179.2	-175.5	0	0	112.5	I790 N791 D792	I790-E794 HydrophobicContact CG2-CB 3.57Å; I790-E794 HydrophobicContact CG2-CG 4.15Å; I790-E794 WeakPolarHBondContact CG2-OE2 2.95Å; N791-E794 PolarHBondContact O-N 2.85Å; N791-E794 VanDerWaalsContact O-N 3.09Å; D792-E794 VanDerWaalsContact C-N 3.34Å; D792-E794 PolarHBondContact O-N 2.57Å
795	M	51.3	Low	73.1	Confident	53 Å²	53	90.6 Å²	90.6	26%	0.261	48%	0.484	S	S	.	.	H	α-helix	trans	-77.7	-23.6	-172.9	-166.6	-159.4	62	0	0	113.6	D792 V797 H798 K817	D792-M795 PolarHBondContact O-N 3.41Å; M795-V797 PolarHBondContact O-N 3.46Å; M795-H798 PolarHBondContact O-N 3.04Å; M795-K817 HydrophobicContact CE-CD 4.28Å; M795-K817 HydrophobicContact SD-CD 3.66Å; M795-K817 WeakPolarHBondContact SD-CE 3.47Å; M795-K817 HydrophobicContact SD-CG 3.64Å
796	L	55.1	Low	73.5	Confident	158 Å²	158	88.6 Å²	88.6	83%	0.827	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-13.6	177.9	-74.2	165.8	0	0	0	113.9
797	V	55.2	Low	73.8	Confident	118 Å²	118	83.3 Å²	83.3	72%	0.715	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-18.5	-179.7	-173.5	0	0	0	0	113.3	M795	M795-V797 PolarHBondContact O-N 3.46Å
798	H	54.3	Low	73.8	Confident	135 Å²	135	87.6 Å²	87.6	63%	0.625	47%	0.47	S	S	*	.			trans	-125.5	107.2	-173.7	-73.1	-66.9	0	0	0	113	M795 R800	M795-H798 PolarHBondContact O-N 3.04Å; H798-R800 VanDerWaalsContact C-N 3.32Å; H798-R800 PolarHBondContact O-N 3.38Å
799	N	58.2	Low	73.9	Confident	176 Å²	176	85.2 Å²	85.2	94%	0.941	45%	0.452	S	S	*	.			trans	-62.7	91.6	160.2	-83.8	-15.6	0	0	0	108.9
800	R	65.6	Low	74.4	Confident	78 Å²	78	84.3 Å²	84.3	29%	0.294	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-73.9	134.2	171.7	-73.8	-171.1	177.7	177.4	-0.5	109.5	I787 P788 H798 S816	I787-R800 VanDerWaalsContact CG2-CZ 3.43Å; P788-R800 PolarHBondContact O-NH2 3.14Å; P788-R800 VanDerWaalsContact O-NH2 3.12Å; H798-R800 VanDerWaalsContact C-N 3.32Å; H798-R800 PolarHBondContact O-N 3.38Å; R800-S816 PolarHBondContact NH1-O 3.09Å
801	P	70.1	Confident	75.4	Confident	110 Å²	110	83.4 Å²	83.4	71%	0.714	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.3	156.4	173.7	27.6	-33.3	0	0	0	110.9	L803	P801-L803 PolarHBondContact O-N 3.22Å
802	Q	81.6	Confident	76.9	Confident	137 Å²	137	77.1 Å²	77.1	64%	0.64	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-59.9	135.2	173	-70	178.3	-46.2	0	0	110.7	F804	Q802-F804 HydrophobicContact CB-CD2 3.96Å; Q802-F804 HydrophobicContact CB-CE2 3.23Å; Q802-F804 HydrophobicContact CB-CZ 3.8Å; Q802-F804 HydrophobicContact CG-CE2 4.15Å; Q802-F804 HydrophobicContact CG-CZ 4.34Å
803	L	92.5	Very high	78.6	Confident	14 Å²	14	74.8 Å²	74.8	7%	0.073	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.3	-179.6	177.8	60.9	0	0	0	109.6	P801 F814 Y871 Y873 V882	P801-L803 PolarHBondContact O-N 3.22Å; L803-F814 HydrophobicContact CB-CB 4.16Å; L803-F814 HydrophobicContact CD2-CB 3.75Å; L803-F814 HydrophobicContact CD2-CG 4.32Å; L803-F814 HydrophobicContact CG-CB 3.92Å; L803-F814 HydrophobicContact CG-CD2 4.33Å; L803-F814 HydrophobicContact CG-CG 4.39Å; L803-F814 PolarHBondContact O-N 3.17Å; L803-Y871 HydrophobicContact CD2-CD2 4.29Å; L803-Y871 HydrophobicContact CD2-CE2 3.7Å; L803-Y873 HydrophobicContact CD1-CD1 4.26Å; L803-Y873 HydrophobicContact CD1-CD2 3.86Å; L803-Y873 HydrophobicContact CD1-CE2 4.33Å; L803-Y873 HydrophobicContact CD1-CG 3.81Å; L803-V882 HydrophobicContact CD2-CG2 4.47Å
804	F	95.2	Very high	80.5	Confident	43 Å²	43	70.9 Å²	70.9	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.3	176.9	-59.8	-85.3	0	0	0	111.8	Q802 Q811 L812 E813 K875	Q802-F804 HydrophobicContact CB-CD2 3.96Å; Q802-F804 HydrophobicContact CB-CE2 3.23Å; Q802-F804 HydrophobicContact CB-CZ 3.8Å; Q802-F804 HydrophobicContact CG-CE2 4.15Å; Q802-F804 HydrophobicContact CG-CZ 4.34Å; F804-Q811 HydrophobicContact CD1-CG 4.09Å; F804-L812 CarbonylContact C-O 3.55Å; F804-L812 WeakPolarHBondContact CA-O 3.47Å; F804-E813 HydrophobicContact CD1-CB 3.73Å; F804-E813 HydrophobicContact CD1-CG 3.97Å; F804-E813 HydrophobicContact CE1-CB 3.51Å; F804-E813 HydrophobicContact CE1-CG 3.43Å; F804-E813 VanDerWaalsContact CE1-CG 3.43Å; F804-E813 HydrophobicContact CZ-CG 4.01Å; F804-K875 WeakPolarHBondContact O-CE 3.27Å; F804-K875 PolarHBondContact O-NZ 3.15Å
805	I	97	Very high	82.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.1	160.1	77.6	-172.5	0	0	0	109.7	L812 F814 D880 V882 V893 L895	I805-L812 HydrophobicContact CD1-CD1 4.15Å; I805-L812 HydrophobicContact CG1-CB 4.05Å; I805-L812 HydrophobicContact CG1-CD1 4.11Å; I805-L812 HydrophobicContact CG1-CG 4.44Å; I805-L812 PolarHBondContact N-O 3.13Å; I805-L812 PolarHBondContact O-N 3.11Å; I805-F814 HydrophobicContact CB-CE2 4.34Å; I805-F814 HydrophobicContact CD1-CE2 3.91Å; I805-F814 HydrophobicContact CD1-CZ 3.7Å; I805-F814 HydrophobicContact CG1-CE2 3.73Å; I805-F814 HydrophobicContact CG1-CZ 4.05Å; I805-F814 HydrophobicContact CG2-CE2 4.15Å; I805-D880 HydrophobicContact CB-CB 3.6Å; I805-D880 HydrophobicContact CG1-CB 4.45Å; I805-D880 HydrophobicContact CG2-CB 3.93Å; I805-V882 HydrophobicContact CD1-CG2 4.48Å; I805-V882 HydrophobicContact CG2-CG2 3.75Å; I805-V893 HydrophobicContact CD1-CG1 4.32Å; I805-L895 HydrophobicContact CD1-CG 4.15Å; I805-L895 HydrophobicContact CG1-CD1 3.94Å; I805-L895 HydrophobicContact CG1-CG 4.07Å
806	E	96.6	Very high	84.1	Confident	61 Å²	61	65.3 Å²	65.3	29%	0.285	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157	-174.2	67.4	-171.6	150.4	0	0	114.2	I810 Q811 K827 D880 K897	E806-I810 CarbonylContact C-O 3.6Å; E806-I810 VanDerWaalsContact CA-O 3.23Å; E806-I810 WeakPolarHBondContact CA-O 3.48Å; E806-I810 WeakPolarHBondContact CB-O 3.45Å; E806-Q811 HydrophobicContact CB-CB 3.92Å; E806-Q811 HydrophobicContact CB-CG 4.09Å; E806-Q811 PolarHBondContact OE2-NE2 3.41Å; E806-K827 WeakPolarHBondContact OE2-CE 2.97Å; E806-K827 IonicContact OE2-NZ 3.83Å; E806-K827 PolarHBondContact OE2-NZ 3.1Å; E806-D880 PolarHBondContact N-OD2 2.96Å; E806-K897 WeakPolarHBondContact O-CE 3.24Å
807	N	95.2	Very high	85.7	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.027	31%	0.314	C	S	.	.			trans	-131.7	-162.3	164.4	63.8	22.9	0	0	0	109.3	Y809 I810 K827 Y896 K897 S903	N807-Y809 PolarHBondContact O-N 3.27Å; N807-Y809 WeakPolarHBondContact OD1-CA 3.41Å; N807-Y809 PolarHBondContact OD1-N 3.01Å; N807-I810 PolarHBondContact N-O 2.85Å; N807-I810 PolarHBondContact OD1-N 3.01Å; N807-I810 PolarHBondContact OD1-O 3.13Å; N807-K827 WeakPolarHBondContact O-CD 3.47Å; N807-K827 VanDerWaalsContact O-CE 3.29Å; N807-K827 WeakPolarHBondContact O-CE 3.31Å; N807-K827 PolarHBondContact O-NZ 3.19Å; N807-Y896 VanDerWaalsContact CB-O 3.29Å; N807-Y896 WeakPolarHBondContact CB-O 3.46Å; N807-Y896 PolarHBondContact ND2-O 2.81Å; N807-K897 HydrophobicContact CB-CG 3.99Å; N807-S903 WeakPolarHBondContact ND2-CA 3.46Å; N807-S903 PolarHBondContact ND2-O 3.5Å
808	D	90.5	Very high	87.4	Confident	120 Å²	120	57 Å²	57	64%	0.642	29%	0.285	S	S	*	.	S	Bend	trans	-69.6	-18.2	-178.6	-61.8	-30.2	0	0	0	113.6
809	Y	90.9	Very high	89.3	Confident	22 Å²	22	50.6 Å²	50.6	9%	0.086	26%	0.256	C	S	.	.	S	Bend	trans	-110.9	-33.5	-171.8	-61.6	-79.8	0	0	0	113.8	N807 K827 L828 S899 Q904	N807-Y809 PolarHBondContact O-N 3.27Å; N807-Y809 WeakPolarHBondContact OD1-CA 3.41Å; N807-Y809 PolarHBondContact OD1-N 3.01Å; Y809-K827 WeakPolarHBondContact O-CB 3.33Å; Y809-K827 PolarHBondContact O-N 3.46Å; Y809-L828 HydrophobicContact CD1-CD1 3.62Å; Y809-L828 HydrophobicContact CD1-CD2 3.89Å; Y809-L828 HydrophobicContact CD1-CG 3.78Å; Y809-L828 HydrophobicContact CE1-CD1 4.08Å; Y809-L828 HydrophobicContact CE1-CD2 4.14Å; Y809-L828 HydrophobicContact CE1-CG 4.41Å; Y809-S899 PolarHBondContact OH-O 2.84Å; Y809-Q904 HydrophobicContact CD1-CG 4.04Å; Y809-Q904 HydrophobicContact CD2-CG 4.03Å; Y809-Q904 HydrophobicContact CE1-CG 4.22Å; Y809-Q904 HydrophobicContact CE2-CG 4.21Å; Y809-Q904 HydrophobicContact CG-CG 3.92Å
810	I	95.3	Very high	91.1	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.3	-169.5	-55.5	175.8	0	0	0	109.2	E806 N807 L812 M824 L825 L895 I906	E806-I810 CarbonylContact C-O 3.6Å; E806-I810 VanDerWaalsContact CA-O 3.23Å; E806-I810 WeakPolarHBondContact CA-O 3.48Å; E806-I810 WeakPolarHBondContact CB-O 3.45Å; N807-I810 PolarHBondContact N-O 2.85Å; N807-I810 PolarHBondContact OD1-N 3.01Å; N807-I810 PolarHBondContact OD1-O 3.13Å; I810-L812 HydrophobicContact CG2-CD2 3.66Å; I810-L812 HydrophobicContact CG2-CG 3.93Å; I810-M824 HydrophobicContact CG2-CG 3.86Å; I810-M824 HydrophobicContact CG2-SD 4.42Å; I810-L825 WeakPolarHBondContact CA-O 3.48Å; I810-L895 HydrophobicContact CB-CD1 4.12Å; I810-L895 HydrophobicContact CB-CD2 4.39Å; I810-L895 HydrophobicContact CD1-CD2 4.34Å; I810-L895 HydrophobicContact CG2-CD1 4.12Å; I810-L895 HydrophobicContact CG2-CD2 4.39Å; I810-I906 HydrophobicContact CD1-CG1 4.27Å
811	Q	97.6	Very high	92.7	Very high	51 Å²	51	39 Å²	39	24%	0.238	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.2	161.2	175.7	-178.9	90.1	0	0	109.1	F804 E806 M824 L825	F804-Q811 HydrophobicContact CD1-CG 4.09Å; E806-Q811 HydrophobicContact CB-CB 3.92Å; E806-Q811 HydrophobicContact CB-CG 4.09Å; E806-Q811 PolarHBondContact OE2-NE2 3.41Å; Q811-M824 CarbonylContact O-C 3.45Å; Q811-M824 WeakPolarHBondContact O-CA 3.26Å; Q811-L825 HydrophobicContact CB-CB 4.28Å; Q811-L825 PolarHBondContact N-O 3.03Å; Q811-L825 PolarHBondContact O-N 2.76Å
812	L	98.3	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	-179.1	-61.8	-179.7	0	0	0	109.9	F804 I805 I810 F814 L821 K823 M824 M835 V893 L895 I906	F804-L812 CarbonylContact C-O 3.55Å; F804-L812 WeakPolarHBondContact CA-O 3.47Å; I805-L812 HydrophobicContact CD1-CD1 4.15Å; I805-L812 HydrophobicContact CG1-CB 4.05Å; I805-L812 HydrophobicContact CG1-CD1 4.11Å; I805-L812 HydrophobicContact CG1-CG 4.44Å; I805-L812 PolarHBondContact N-O 3.13Å; I805-L812 PolarHBondContact O-N 3.11Å; I810-L812 HydrophobicContact CG2-CD2 3.66Å; I810-L812 HydrophobicContact CG2-CG 3.93Å; L812-F814 HydrophobicContact CB-CE2 3.67Å; L812-F814 HydrophobicContact CB-CZ 4.09Å; L812-F814 HydrophobicContact CD1-CZ 4.32Å; L812-L821 HydrophobicContact CB-CD1 3.65Å; L812-L821 HydrophobicContact CD1-CD1 4.19Å; L812-L821 HydrophobicContact CD2-CD1 4.07Å; L812-L821 HydrophobicContact CG-CD1 4.17Å; L812-K823 WeakPolarHBondContact CA-O 3.31Å; L812-M824 HydrophobicContact CD2-CB 3.78Å; L812-M824 HydrophobicContact CD2-CG 3.52Å; L812-M835 HydrophobicContact CD2-CE 3.67Å; L812-V893 HydrophobicContact CD1-CG1 3.86Å; L812-L895 HydrophobicContact CD1-CD1 4.03Å; L812-L895 HydrophobicContact CD1-CD2 4.15Å; L812-L895 HydrophobicContact CD1-CG 3.97Å; L812-L895 HydrophobicContact CG-CD1 4.05Å; L812-I906 HydrophobicContact CD1-CD1 4Å; L812-I906 HydrophobicContact CD1-CG1 4.09Å; L812-I906 HydrophobicContact CD1-CG2 3.96Å; L812-I906 HydrophobicContact CD2-CD1 3.58Å; L812-I906 HydrophobicContact CD2-CG1 4.32Å; L812-I906 HydrophobicContact CG-CD1 4.4Å
813	E	97.7	Very high	94.7	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	176.3	-172.3	178.3	166.2	0	0	110.1	F804 Q822 K823	F804-E813 HydrophobicContact CD1-CB 3.73Å; F804-E813 HydrophobicContact CD1-CG 3.97Å; F804-E813 HydrophobicContact CE1-CB 3.51Å; F804-E813 HydrophobicContact CE1-CG 3.43Å; F804-E813 VanDerWaalsContact CE1-CG 3.43Å; F804-E813 HydrophobicContact CZ-CG 4.01Å; E813-Q822 PolarHBondContact O-N 3.21Å; E813-K823 HydrophobicContact CB-CB 4.04Å; E813-K823 PolarHBondContact N-O 3.13Å; E813-K823 PolarHBondContact O-N 3.28Å
814	F	97.3	Very high	95	Very high	7 Å²	7	33 Å²	33	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.4	-179	-61.2	-102	0	0	0	110.9	L803 I805 L812 S816 G819 Y820 L821 V882 V893	L803-F814 HydrophobicContact CB-CB 4.16Å; L803-F814 HydrophobicContact CD2-CB 3.75Å; L803-F814 HydrophobicContact CD2-CG 4.32Å; L803-F814 HydrophobicContact CG-CB 3.92Å; L803-F814 HydrophobicContact CG-CD2 4.33Å; L803-F814 HydrophobicContact CG-CG 4.39Å; L803-F814 PolarHBondContact O-N 3.17Å; I805-F814 HydrophobicContact CB-CE2 4.34Å; I805-F814 HydrophobicContact CD1-CE2 3.91Å; I805-F814 HydrophobicContact CD1-CZ 3.7Å; I805-F814 HydrophobicContact CG1-CE2 3.73Å; I805-F814 HydrophobicContact CG1-CZ 4.05Å; I805-F814 HydrophobicContact CG2-CE2 4.15Å; L812-F814 HydrophobicContact CB-CE2 3.67Å; L812-F814 HydrophobicContact CB-CZ 4.09Å; L812-F814 HydrophobicContact CD1-CZ 4.32Å; F814-S816 PolarHBondContact O-N 2.89Å; F814-G819 WeakPolarHBondContact CD1-O 3.37Å; F814-Y820 WeakPolarHBondContact CA-O 3.43Å; F814-L821 HydrophobicContact CD1-CB 4.08Å; F814-L821 HydrophobicContact CD1-CD1 4.22Å; F814-L821 HydrophobicContact CD2-CD1 4.47Å; F814-L821 HydrophobicContact CE1-CB 3.92Å; F814-L821 HydrophobicContact CE1-CD1 3.87Å; F814-L821 HydrophobicContact CE1-CG 4.47Å; F814-L821 HydrophobicContact CE2-CD1 4.09Å; F814-L821 HydrophobicContact CZ-CD1 3.79Å; F814-V882 HydrophobicContact CD1-CB 4.19Å; F814-V882 HydrophobicContact CD1-CG1 4.07Å; F814-V882 HydrophobicContact CD1-CG2 4.1Å; F814-V882 HydrophobicContact CD2-CG2 4.1Å; F814-V882 HydrophobicContact CE1-CB 3.8Å; F814-V882 HydrophobicContact CE1-CG1 4.15Å; F814-V882 HydrophobicContact CE1-CG2 3.85Å; F814-V882 HydrophobicContact CE2-CG2 3.88Å; F814-V882 HydrophobicContact CG-CG2 4.22Å; F814-V882 HydrophobicContact CZ-CB 4.09Å; F814-V882 HydrophobicContact CZ-CG2 3.74Å; F814-V893 HydrophobicContact CE1-CB 4.07Å; F814-V893 HydrophobicContact CE1-CG1 4.2Å; F814-V893 HydrophobicContact CE1-CG2 4.27Å; F814-V893 HydrophobicContact CZ-CB 4.18Å; F814-V893 HydrophobicContact CZ-CG1 3.93Å
815	D	93.1	Very high	95	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	16%	0.164	C	C	.	.			trans	-67.6	115	170	173.4	17.8	0	0	0	109.9	K817 T818 G819 Y820 Q822	D815-K817 PolarHBondContact O-N 2.9Å; D815-K817 VanDerWaalsContact O-N 3.1Å; D815-K817 WeakPolarHBondContact OD1-CB 3.3Å; D815-K817 WeakPolarHBondContact OD1-CG 3.42Å; D815-K817 PolarHBondContact OD1-N 3.32Å; D815-T818 WeakPolarHBondContact CB-OG1 3.01Å; D815-T818 PolarHBondContact O-N 3.37Å; D815-T818 WeakPolarHBondContact OD2-CB 3.32Å; D815-T818 WeakPolarHBondContact OD2-CG2 3.5Å; D815-T818 PolarHBondContact OD2-N 2.99Å; D815-T818 PolarHBondContact OD2-OG1 3.41Å; D815-G819 VanDerWaalsContact O-CA 3.3Å; D815-G819 WeakPolarHBondContact O-CA 3.42Å; D815-G819 PolarHBondContact O-N 3.35Å; D815-Y820 PolarHBondContact N-O 2.93Å; D815-Q822 HydrophobicContact CB-CG 3.83Å
816	S	89.9	Confident	94.7	Very high	29 Å²	29	34.4 Å²	34.4	20%	0.203	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.8	178.2	68.6	0	0	0	0	114.4	R800 F814 Y871	R800-S816 PolarHBondContact NH1-O 3.09Å; F814-S816 PolarHBondContact O-N 2.89Å; S816-Y871 PolarHBondContact O-OH 3.49Å
817	K	87.1	Confident	94.5	Very high	81 Å²	81	35 Å²	35	35%	0.352	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-55.7	174.4	-55.8	-168.8	-175.1	-165.3	0	111.7	V789 D792 M795 D815	V789-K817 WeakPolarHBondContact CG1-O 3.46Å; V789-K817 WeakPolarHBondContact CG2-O 3.27Å; D792-K817 IonicContact OD1-NZ 3.9Å; D792-K817 PolarHBondContact OD1-NZ 2.88Å; M795-K817 HydrophobicContact CE-CD 4.28Å; M795-K817 HydrophobicContact SD-CD 3.66Å; M795-K817 WeakPolarHBondContact SD-CE 3.47Å; M795-K817 HydrophobicContact SD-CG 3.64Å; D815-K817 PolarHBondContact O-N 2.9Å; D815-K817 VanDerWaalsContact O-N 3.1Å; D815-K817 WeakPolarHBondContact OD1-CB 3.3Å; D815-K817 WeakPolarHBondContact OD1-CG 3.42Å; D815-K817 PolarHBondContact OD1-N 3.32Å
818	T	91.6	Very high	93.8	Very high	19 Å²	19	37.1 Å²	37.1	12%	0.117	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-23.3	-171.1	58.5	0	0	0	0	114.1	D815 Y820 P868	D815-T818 WeakPolarHBondContact CB-OG1 3.01Å; D815-T818 PolarHBondContact O-N 3.37Å; D815-T818 WeakPolarHBondContact OD2-CB 3.32Å; D815-T818 WeakPolarHBondContact OD2-CG2 3.5Å; D815-T818 PolarHBondContact OD2-N 2.99Å; D815-T818 PolarHBondContact OD2-OG1 3.41Å; T818-Y820 VanDerWaalsContact C-N 3.28Å; T818-Y820 HydrophobicContact CG2-CD2 4.37Å; T818-Y820 WeakPolarHBondContact OG1-CD2 3.38Å; T818-Y820 PolarHBondContact OG1-N 2.78Å; T818-P868 WeakPolarHBondContact O-CG 3.38Å
819	G	93.9	Very high	93.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	16%	0.161	C	C	.	.			trans	81.2	1.5	-171.6	0	0	0	0	0	113.9	F814 D815 V884	F814-G819 WeakPolarHBondContact CD1-O 3.37Å; D815-G819 VanDerWaalsContact O-CA 3.3Å; D815-G819 WeakPolarHBondContact O-CA 3.42Å; D815-G819 PolarHBondContact O-N 3.35Å; G819-V884 VanDerWaalsContact O-CG2 3.23Å; G819-V884 WeakPolarHBondContact O-CG2 2.7Å
820	Y	96.6	Very high	93.3	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.043	18%	0.184	C	C	.	.			trans	-76.3	144.4	178.6	-71	-51.7	0	0	0	112.6	F814 D815 T818 I837 F839 P868 V884 T886	F814-Y820 WeakPolarHBondContact CA-O 3.43Å; D815-Y820 PolarHBondContact N-O 2.93Å; T818-Y820 VanDerWaalsContact C-N 3.28Å; T818-Y820 HydrophobicContact CG2-CD2 4.37Å; T818-Y820 WeakPolarHBondContact OG1-CD2 3.38Å; T818-Y820 PolarHBondContact OG1-N 2.78Å; Y820-I837 WeakPolarHBondContact CB-O 3.4Å; Y820-F839 AromaticContact CE1-CD2 3.96Å; Y820-F839 HydrophobicContact CE1-CD2 3.96Å; Y820-F839 AromaticContact CE1-CE2 3.93Å; Y820-F839 HydrophobicContact CE1-CE2 3.93Å; Y820-P868 HydrophobicContact CD2-CG 4.38Å; Y820-P868 HydrophobicContact CE1-CG 4.34Å; Y820-P868 HydrophobicContact CE2-CG 3.6Å; Y820-V884 HydrophobicContact CD1-CG1 4.23Å; Y820-V884 HydrophobicContact CD1-CG2 4.36Å; Y820-V884 HydrophobicContact CE1-CB 4.4Å; Y820-V884 HydrophobicContact CE1-CG1 3.8Å; Y820-T886 HydrophobicContact CE1-CG2 4.43Å; Y820-T886 WeakPolarHBondContact OH-CG2 3.33Å
821	L	98.1	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.9	175.2	-175.9	61.5	0	0	0	110.5	L812 F814 M835 K836 I837	L812-L821 HydrophobicContact CB-CD1 3.65Å; L812-L821 HydrophobicContact CD1-CD1 4.19Å; L812-L821 HydrophobicContact CD2-CD1 4.07Å; L812-L821 HydrophobicContact CG-CD1 4.17Å; F814-L821 HydrophobicContact CD1-CB 4.08Å; F814-L821 HydrophobicContact CD1-CD1 4.22Å; F814-L821 HydrophobicContact CD2-CD1 4.47Å; F814-L821 HydrophobicContact CE1-CB 3.92Å; F814-L821 HydrophobicContact CE1-CD1 3.87Å; F814-L821 HydrophobicContact CE1-CG 4.47Å; F814-L821 HydrophobicContact CE2-CD1 4.09Å; F814-L821 HydrophobicContact CZ-CD1 3.79Å; L821-M835 CarbonylContact C-O 3.59Å; L821-M835 HydrophobicContact CD2-CE 3.5Å; L821-M835 HydrophobicContact CD2-CG 4.23Å; L821-M835 HydrophobicContact CG-CE 4.36Å; L821-M835 WeakPolarHBondContact CG-O 3.42Å; L821-K836 VanDerWaalsContact O-CA 3.31Å; L821-K836 WeakPolarHBondContact O-CA 3.45Å; L821-I837 HydrophobicContact CB-CB 4.34Å; L821-I837 HydrophobicContact CB-CD1 4.2Å; L821-I837 HydrophobicContact CB-CG1 4.2Å; L821-I837 HydrophobicContact CD2-CD1 3.73Å; L821-I837 HydrophobicContact CD2-CG1 4.19Å; L821-I837 PolarHBondContact O-N 3.41Å; L821-I837 VanDerWaalsContact O-N 3.09Å
822	Q	97.4	Very high	92.7	Very high	48 Å²	48	36.6 Å²	36.6	22%	0.224	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-38.2	-178.7	-65.3	-58.1	-50.5	0	0	113.2	E813 D815 M835 K836	E813-Q822 PolarHBondContact O-N 3.21Å; D815-Q822 HydrophobicContact CB-CG 3.83Å; Q822-M835 CarbonylContact O-C 3.55Å; Q822-M835 PolarHBondContact O-N 3.28Å; Q822-K836 WeakPolarHBondContact O-CG 3.38Å
823	K	97.7	Very high	92.5	Very high	78 Å²	78	36.7 Å²	36.7	34%	0.339	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.3	-168.8	-168.4	172.7	174.2	173.6	0	111.9	L812 E813 S832 M833	L812-K823 WeakPolarHBondContact CA-O 3.31Å; E813-K823 HydrophobicContact CB-CB 4.04Å; E813-K823 PolarHBondContact N-O 3.13Å; E813-K823 PolarHBondContact O-N 3.28Å; K823-S832 WeakPolarHBondContact CE-OG 3.34Å; K823-M833 WeakPolarHBondContact CG-O 3.26Å
824	M	97.2	Very high	92.5	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.8	175.6	-172.1	-89.8	-74.8	0	0	110.9	I810 Q811 L812 N826 S832 M833 M835 T1043	I810-M824 HydrophobicContact CG2-CG 3.86Å; I810-M824 HydrophobicContact CG2-SD 4.42Å; Q811-M824 CarbonylContact O-C 3.45Å; Q811-M824 WeakPolarHBondContact O-CA 3.26Å; L812-M824 HydrophobicContact CD2-CB 3.78Å; L812-M824 HydrophobicContact CD2-CG 3.52Å; M824-N826 HydrophobicContact SD-CB 4Å; M824-N826 PolarHBondContact SD-N 3.43Å; M824-S832 CarbonylContact O-C 3.59Å; M824-S832 VanDerWaalsContact O-CA 3.25Å; M824-S832 WeakPolarHBondContact O-CA 3.49Å; M824-S832 PolarHBondContact O-OG 3.39Å; M824-M833 HydrophobicContact CE-CB 4.44Å; M824-M833 PolarHBondContact N-O 2.93Å; M824-M833 PolarHBondContact O-N 3.43Å; M824-M835 HydrophobicContact CB-CB 4.4Å; M824-M835 HydrophobicContact CB-CE 3.44Å; M824-M835 VanDerWaalsContact CB-CE 3.44Å; M824-M835 HydrophobicContact CB-SD 4.16Å; M824-M835 HydrophobicContact CG-CE 3.81Å; M824-T1043 HydrophobicContact CE-CG2 3.34Å; M824-T1043 WeakPolarHBondContact CE-OG1 3.41Å
825	L	96	Very high	92.5	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.277	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.1	168.3	175	67.9	0	0	0	108.2	I810 Q811 K827	I810-L825 WeakPolarHBondContact CA-O 3.48Å; Q811-L825 HydrophobicContact CB-CB 4.28Å; Q811-L825 PolarHBondContact N-O 3.03Å; Q811-L825 PolarHBondContact O-N 2.76Å; L825-K827 PolarHBondContact O-N 2.68Å
826	N	91.7	Very high	92.7	Very high	20 Å²	20	38 Å²	38	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	108.6	169	-177.2	-39.7	0	0	0	107.4	M824 L828 T829 G830 Q831	M824-N826 HydrophobicContact SD-CB 4Å; M824-N826 PolarHBondContact SD-N 3.43Å; N826-L828 VanDerWaalsContact C-N 3.29Å; N826-L828 PolarHBondContact O-N 2.92Å; N826-L828 WeakPolarHBondContact OD1-CB 3.28Å; N826-L828 PolarHBondContact OD1-N 3.2Å; N826-T829 WeakPolarHBondContact CB-OG1 3.2Å; N826-T829 VanDerWaalsContact CG-OG1 3.28Å; N826-T829 PolarHBondContact O-N 3.09Å; N826-T829 PolarHBondContact OD1-N 2.95Å; N826-T829 PolarHBondContact OD1-OG1 3.21Å; N826-G830 CarbonylContact O-C 3.57Å; N826-G830 VanDerWaalsContact O-CA 3.25Å; N826-G830 WeakPolarHBondContact O-CA 3.45Å; N826-G830 PolarHBondContact O-N 2.95Å; N826-Q831 PolarHBondContact N-O 2.93Å; N826-Q831 PolarHBondContact O-N 3.47Å
827	K	91.4	Very high	93.1	Very high	73 Å²	73	36.7 Å²	36.7	32%	0.317	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.3	-175.2	-63.6	-174.3	175.8	-174.7	0	112.9	E806 N807 Y809 L825	E806-K827 WeakPolarHBondContact OE2-CE 2.97Å; E806-K827 IonicContact OE2-NZ 3.83Å; E806-K827 PolarHBondContact OE2-NZ 3.1Å; N807-K827 WeakPolarHBondContact O-CD 3.47Å; N807-K827 VanDerWaalsContact O-CE 3.29Å; N807-K827 WeakPolarHBondContact O-CE 3.31Å; N807-K827 PolarHBondContact O-NZ 3.19Å; Y809-K827 WeakPolarHBondContact O-CB 3.33Å; Y809-K827 PolarHBondContact O-N 3.46Å; L825-K827 PolarHBondContact O-N 2.68Å
828	L	81.5	Confident	93.5	Very high	50 Å²	50	35.8 Å²	35.8	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-49.6	175.6	-64.2	177.9	0	0	0	110.9	Y809 N826 P1144 I1146	Y809-L828 HydrophobicContact CD1-CD1 3.62Å; Y809-L828 HydrophobicContact CD1-CD2 3.89Å; Y809-L828 HydrophobicContact CD1-CG 3.78Å; Y809-L828 HydrophobicContact CE1-CD1 4.08Å; Y809-L828 HydrophobicContact CE1-CD2 4.14Å; Y809-L828 HydrophobicContact CE1-CG 4.41Å; N826-L828 VanDerWaalsContact C-N 3.29Å; N826-L828 PolarHBondContact O-N 2.92Å; N826-L828 WeakPolarHBondContact OD1-CB 3.28Å; N826-L828 PolarHBondContact OD1-N 3.2Å; L828-P1144 WeakPolarHBondContact O-CG 3.2Å; L828-I1146 HydrophobicContact CD1-CG1 4.38Å
829	T	82.8	Confident	93.8	Very high	32 Å²	32	35.2 Å²	35.2	20%	0.196	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-13.8	-175	68.7	0	0	0	0	113.2	N826 Q831 L1143	N826-T829 WeakPolarHBondContact CB-OG1 3.2Å; N826-T829 VanDerWaalsContact CG-OG1 3.28Å; N826-T829 PolarHBondContact O-N 3.09Å; N826-T829 PolarHBondContact OD1-N 2.95Å; N826-T829 PolarHBondContact OD1-OG1 3.21Å; T829-Q831 PolarHBondContact O-N 3.39Å; T829-Q831 WeakPolarHBondContact OG1-CB 3.03Å; T829-Q831 WeakPolarHBondContact OG1-CG 3Å; T829-Q831 PolarHBondContact OG1-N 3.14Å; T829-L1143 HydrophobicContact CG2-CD1 4.05Å; T829-L1143 HydrophobicContact CG2-CD2 3.73Å; T829-L1143 HydrophobicContact CG2-CG 4.47Å
830	G	86.8	Confident	93.9	Very high	55 Å²	55	36.3 Å²	36.3	57%	0.567	20%	0.196	S	C	*	.			trans	69.4	2.7	-170.6	0	0	0	0	0	113.7	N826	N826-G830 CarbonylContact O-C 3.57Å; N826-G830 VanDerWaalsContact O-CA 3.25Å; N826-G830 WeakPolarHBondContact O-CA 3.45Å; N826-G830 PolarHBondContact O-N 2.95Å
831	Q	86.7	Confident	93.9	Very high	55 Å²	55	37.1 Å²	37.1	26%	0.257	20%	0.201	S	C	.	.			trans	-77.4	134.7	-177.6	-67.7	-177.9	-9.3	0	0	110.8	N826 T829	N826-Q831 PolarHBondContact N-O 2.93Å; N826-Q831 PolarHBondContact O-N 3.47Å; T829-Q831 PolarHBondContact O-N 3.39Å; T829-Q831 WeakPolarHBondContact OG1-CB 3.03Å; T829-Q831 WeakPolarHBondContact OG1-CG 3Å; T829-Q831 PolarHBondContact OG1-N 3.14Å
832	S	93.3	Very high	93.7	Very high	52 Å²	52	38 Å²	38	36%	0.364	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.8	173	-165.8	0	0	0	0	111.1	K823 M824	K823-S832 WeakPolarHBondContact CE-OG 3.34Å; M824-S832 CarbonylContact O-C 3.59Å; M824-S832 VanDerWaalsContact O-CA 3.25Å; M824-S832 WeakPolarHBondContact O-CA 3.49Å; M824-S832 PolarHBondContact O-OG 3.39Å
833	M	95.2	Very high	93.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135	-175.8	-174.5	-178.9	-73.5	0	0	109.5	K823 M824 T930 N931 L932 Q989 T1043	K823-M833 WeakPolarHBondContact CG-O 3.26Å; M824-M833 HydrophobicContact CE-CB 4.44Å; M824-M833 PolarHBondContact N-O 2.93Å; M824-M833 PolarHBondContact O-N 3.43Å; M833-T930 HydrophobicContact SD-CG2 4.2Å; M833-N931 WeakPolarHBondContact CA-OD1 3.45Å; M833-N931 VanDerWaalsContact CG-OD1 3.25Å; M833-N931 WeakPolarHBondContact CG-OD1 3.34Å; M833-L932 HydrophobicContact CE-CD1 3.97Å; M833-L932 HydrophobicContact CE-CD2 3.62Å; M833-L932 HydrophobicContact CE-CG 3.76Å; M833-L932 HydrophobicContact SD-CD1 4.19Å; M833-L932 HydrophobicContact SD-CG 4.16Å; M833-Q989 HydrophobicContact CE-CG 4.03Å; M833-Q989 VanDerWaalsContact CE-NE2 3.35Å; M833-T1043 HydrophobicContact CE-CG2 3.78Å; M833-T1043 HydrophobicContact SD-CG2 3.61Å
834	D	97.6	Very high	93.3	Very high	56 Å²	56	37 Å²	37	30%	0.299	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	135.9	167.2	-85.3	17.4	0	0	0	108.3	K836 T930 N931	D834-K836 IonicContact OD2-NZ 3.21Å; D834-K836 PolarHBondContact OD2-NZ 2.98Å; D834-T930 WeakPolarHBondContact O-CA 3.35Å; D834-T930 VanDerWaalsContact O-CB 3.25Å; D834-T930 WeakPolarHBondContact O-CB 3.35Å; D834-T930 WeakPolarHBondContact O-CG2 3.41Å; D834-N931 HydrophobicContact CB-CB 4.2Å; D834-N931 PolarHBondContact N-OD1 2.79Å
835	M	96.7	Very high	93.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	65.5	-177.6	-162.4	158.2	69.5	0	0	110.2	L812 L821 Q822 M824 I837 I906 I928 L991 L1041	L812-M835 HydrophobicContact CD2-CE 3.67Å; L821-M835 CarbonylContact C-O 3.59Å; L821-M835 HydrophobicContact CD2-CE 3.5Å; L821-M835 HydrophobicContact CD2-CG 4.23Å; L821-M835 HydrophobicContact CG-CE 4.36Å; L821-M835 WeakPolarHBondContact CG-O 3.42Å; Q822-M835 CarbonylContact O-C 3.55Å; Q822-M835 PolarHBondContact O-N 3.28Å; M824-M835 HydrophobicContact CB-CB 4.4Å; M824-M835 HydrophobicContact CB-CE 3.44Å; M824-M835 VanDerWaalsContact CB-CE 3.44Å; M824-M835 HydrophobicContact CB-SD 4.16Å; M824-M835 HydrophobicContact CG-CE 3.81Å; M835-I837 PolarHBondContact O-N 3.46Å; M835-I906 HydrophobicContact CE-CD1 3.07Å; M835-I906 HydrophobicContact SD-CD1 4.1Å; M835-I928 HydrophobicContact CG-CG2 4.34Å; M835-L991 HydrophobicContact SD-CD1 4.42Å; M835-L1041 HydrophobicContact CE-CD2 4.33Å; M835-L1041 HydrophobicContact CG-CD2 4.13Å; M835-L1041 HydrophobicContact SD-CD2 3.66Å; M835-L1041 HydrophobicContact SD-CG 4.3Å
836	K	97.9	Very high	92.6	Very high	75 Å²	75	44.1 Å²	44.1	33%	0.326	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	109.4	-172.5	-57.8	178.9	-176.7	164.2	0	109.4	L821 Q822 D834 Q929	L821-K836 VanDerWaalsContact O-CA 3.31Å; L821-K836 WeakPolarHBondContact O-CA 3.45Å; Q822-K836 WeakPolarHBondContact O-CG 3.38Å; D834-K836 IonicContact OD2-NZ 3.21Å; D834-K836 PolarHBondContact OD2-NZ 2.98Å; K836-Q929 HydrophobicContact CB-CB 4.3Å; K836-Q929 PolarHBondContact N-O 2.87Å; K836-Q929 PolarHBondContact O-N 3.2Å
837	I	97.8	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.1	174.6	-61.8	-177	0	0	0	109.2	Y820 L821 M835 I908 M926 T927 I928	Y820-I837 WeakPolarHBondContact CB-O 3.4Å; L821-I837 HydrophobicContact CB-CB 4.34Å; L821-I837 HydrophobicContact CB-CD1 4.2Å; L821-I837 HydrophobicContact CB-CG1 4.2Å; L821-I837 HydrophobicContact CD2-CD1 3.73Å; L821-I837 HydrophobicContact CD2-CG1 4.19Å; L821-I837 PolarHBondContact O-N 3.41Å; L821-I837 VanDerWaalsContact O-N 3.09Å; M835-I837 PolarHBondContact O-N 3.46Å; I837-I908 HydrophobicContact CD1-CD1 3.7Å; I837-M926 HydrophobicContact CG2-CG 3.81Å; I837-M926 HydrophobicContact CG2-SD 3.88Å; I837-T927 VanDerWaalsContact CA-O 3.31Å; I837-T927 WeakPolarHBondContact CA-O 3.48Å; I837-I928 HydrophobicContact CG1-CG1 4.37Å
838	N	96.5	Very high	91.5	Very high	63 Å²	63	55 Å²	55	34%	0.337	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	171.1	172.6	-64.5	-77.4	0	0	0	110.5	M926 T927	N838-M926 CarbonylContact O-C 3.55Å; N838-T927 WeakPolarHBondContact CB-OG1 3.46Å; N838-T927 PolarHBondContact N-O 3.33Å; N838-T927 PolarHBondContact O-N 2.75Å; N838-T927 PolarHBondContact O-OG1 2.79Å
839	F	97.1	Very high	91.8	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.5	174.3	-65.6	-91.3	0	0	0	110.9	Y820 S865 V889 H891 L924 F925 M926	Y820-F839 AromaticContact CE1-CD2 3.96Å; Y820-F839 HydrophobicContact CE1-CD2 3.96Å; Y820-F839 AromaticContact CE1-CE2 3.93Å; Y820-F839 HydrophobicContact CE1-CE2 3.93Å; F839-S865 WeakPolarHBondContact CB-OG 3.38Å; F839-S865 PolarHBondContact O-N 3.03Å; F839-V889 HydrophobicContact CD1-CG2 4.27Å; F839-V889 HydrophobicContact CE1-CB 4.41Å; F839-V889 HydrophobicContact CE1-CG1 4.04Å; F839-V889 HydrophobicContact CE1-CG2 4.16Å; F839-V889 HydrophobicContact CZ-CB 4.47Å; F839-V889 HydrophobicContact CZ-CG1 3.95Å; F839-H891 HydrophobicContact CE2-CB 3.92Å; F839-H891 AromaticContact CE2-CG 3.91Å; F839-H891 HydrophobicContact CZ-CB 3.89Å; F839-H891 AromaticContact CZ-CG 3.87Å; F839-H891 AromaticContact CZ-ND1 3.75Å; F839-L924 HydrophobicContact CB-CD1 4.38Å; F839-F925 WeakPolarHBondContact CA-O 3.46Å; F839-M926 HydrophobicContact CD1-CB 4.09Å; F839-M926 HydrophobicContact CE1-CB 3.78Å; F839-M926 HydrophobicContact CE1-CG 4.02Å; F839-M926 HydrophobicContact CZ-CB 4.43Å; F839-M926 HydrophobicContact CZ-CG 4.18Å; F839-M926 HydrophobicContact CZ-SD 4.38Å
840	I	96.6	Very high	92.3	Very high	24 Å²	24	53.2 Å²	53.2	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	173.9	65.8	176.3	0	0	0	109.6	Y842 E863 F925 T927	I840-Y842 HydrophobicContact CD1-CE2 3.73Å; I840-Y842 WeakPolarHBondContact CD1-OH 3.43Å; I840-Y842 HydrophobicContact CG1-CE2 4.09Å; I840-E863 CarbonylContact C-O 3.53Å; I840-E863 VanDerWaalsContact CA-O 3.31Å; I840-E863 WeakPolarHBondContact CA-O 3.41Å; I840-F925 HydrophobicContact CD1-CB 4.35Å; I840-F925 HydrophobicContact CG1-CB 3.79Å; I840-F925 PolarHBondContact N-O 3.38Å; I840-F925 PolarHBondContact O-N 2.86Å; I840-T927 HydrophobicContact CB-CG2 4.24Å; I840-T927 HydrophobicContact CD1-CG2 3.62Å; I840-T927 HydrophobicContact CG1-CG2 3.62Å; I840-T927 HydrophobicContact CG2-CG2 3.74Å
841	Q	95.2	Very high	92.7	Very high	29 Å²	29	50.7 Å²	50.7	14%	0.136	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.1	178.4	63.1	-175.4	35	0	0	110.7	E863 I922 D923 L924	Q841-E863 HydrophobicContact CG-CB 4.27Å; Q841-E863 PolarHBondContact N-O 3.31Å; Q841-E863 PolarHBondContact O-N 3.16Å; Q841-I922 HydrophobicContact CB-CD1 4.16Å; Q841-I922 HydrophobicContact CB-CG1 4.13Å; Q841-D923 CarbonylContact C-O 3.53Å; Q841-D923 WeakPolarHBondContact CA-O 3.36Å; Q841-L924 HydrophobicContact CB-CD1 4.42Å
842	Y	95.9	Very high	93.1	Very high	19 Å²	19	48 Å²	48	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.1	169.9	-59.8	-93.6	0	0	0	109.6	I840 F856 P858 I922 D923 F925 L959	I840-Y842 HydrophobicContact CD1-CE2 3.73Å; I840-Y842 WeakPolarHBondContact CD1-OH 3.43Å; I840-Y842 HydrophobicContact CG1-CE2 4.09Å; Y842-F856 HydrophobicContact CD2-CZ 4.26Å; Y842-F856 HydrophobicContact CG-CZ 4.25Å; Y842-P858 HydrophobicContact CD1-CB 3.64Å; Y842-P858 HydrophobicContact CD1-CG 4.5Å; Y842-P858 HydrophobicContact CE1-CB 4.47Å; Y842-P858 HydrophobicContact CG-CB 4.03Å; Y842-I922 WeakPolarHBondContact O-CA 3.38Å; Y842-D923 PolarHBondContact N-O 3.47Å; Y842-D923 PolarHBondContact O-N 2.9Å; Y842-F925 AromaticContact CD2-CD2 3.73Å; Y842-F925 HydrophobicContact CD2-CD2 3.73Å; Y842-F925 AromaticContact CD2-CE2 3.8Å; Y842-F925 HydrophobicContact CD2-CE2 3.8Å; Y842-F925 AromaticContact CE2-CD2 3.68Å; Y842-F925 HydrophobicContact CE2-CD2 3.68Å; Y842-F925 AromaticContact CE2-CE2 3.91Å; Y842-F925 HydrophobicContact CE2-CE2 3.91Å; Y842-F925 HydrophobicContact CE2-CG 4.33Å; Y842-L959 HydrophobicContact CD1-CD2 4.22Å; Y842-L959 HydrophobicContact CE1-CD2 3.41Å; Y842-L959 VanDerWaalsContact CE1-CD2 3.41Å; Y842-L959 HydrophobicContact CE2-CD2 4.36Å
843	K	93.9	Very high	93.1	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-95.3	155.2	165.6	-68.2	173.7	-173.6	138.5	0	108.8	P858 D859 E863	K843-P858 CarbonylContact O-C 3.46Å; K843-P858 WeakPolarHBondContact O-CA 3.43Å; K843-D859 HydrophobicContact CB-CB 4.45Å; K843-D859 PolarHBondContact O-N 2.98Å; K843-E863 IonicContact NZ-OE1 3.79Å; K843-E863 PolarHBondContact NZ-OE1 2.94Å; K843-E863 IonicContact NZ-OE2 3.78Å; K843-E863 PolarHBondContact NZ-OE2 2.95Å
844	S	92.7	Very high	93.1	Very high	4 Å²	4	46 Å²	46	3%	0.028	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-78.3	141.9	174.6	-177.5	0	0	0	0	111.6	S851 R1019	S844-S851 VanDerWaalsContact OG-CB 3.31Å; S844-S851 WeakPolarHBondContact OG-CB 3.33Å; S844-S851 PolarHBondContact OG-N 3.26Å; S844-R1019 PolarHBondContact OG-NH2 3.04Å; S844-R1019 VanDerWaalsContact OG-NH2 3.08Å
845	L	91.9	Very high	93.1	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.225	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-58.1	141.6	173.9	-169.1	66.9	0	0	0	111.4	F847 H850 I857 D859 R1019	L845-F847 HydrophobicContact CD1-CD2 3.94Å; L845-F847 HydrophobicContact CD1-CE2 4.38Å; L845-F847 HydrophobicContact CD2-CD2 4.22Å; L845-F847 HydrophobicContact CG-CD2 3.92Å; L845-H850 WeakPolarHBondContact O-CB 3.47Å; L845-I857 HydrophobicContact CB-CG2 3.83Å; L845-I857 HydrophobicContact CD2-CG2 3.86Å; L845-I857 PolarHBondContact N-O 2.98Å; L845-D859 HydrophobicContact CD1-CB 4.44Å; L845-R1019 VanDerWaalsContact O-CZ 3.3Å; L845-R1019 PolarHBondContact O-NH1 3.16Å; L845-R1019 PolarHBondContact O-NH2 3.3Å
846	K	85.9	Confident	93.1	Very high	169 Å²	169	43.3 Å²	43.3	74%	0.735	21%	0.207	S	C	*	.	S	Bend	trans	-92.6	5.9	-172.5	-65.3	-178.3	-177.5	173.4	0	115.5
847	F	82.2	Confident	92.9	Very high	154 Å²	154	40.2 Å²	40.2	68%	0.675	19%	0.194	S	C	*	.	S	Bend	trans	-95.6	-171.3	-178.8	-65	-71.8	0	0	0	112	L845 S849 H850	L845-F847 HydrophobicContact CD1-CD2 3.94Å; L845-F847 HydrophobicContact CD1-CE2 4.38Å; L845-F847 HydrophobicContact CD2-CD2 4.22Å; L845-F847 HydrophobicContact CG-CD2 3.92Å; F847-S849 VanDerWaalsContact C-N 3.3Å; F847-S849 PolarHBondContact O-N 3.16Å; F847-H850 PolarHBondContact O-CD2 3.32Å
848	D	78	Confident	92.8	Very high	166 Å²	166	41 Å²	41	89%	0.888	20%	0.199	S	C	*	.	S	Bend	trans	-57.2	-39.4	-177.9	-65.2	-22.1	0	0	0	112.8
849	S	87.8	Confident	92.7	Very high	24 Å²	24	41.8 Å²	41.8	17%	0.168	20%	0.203	C	C	.	.	S	Bend	trans	-89.9	122.4	167.9	-75.5	0	0	0	0	109.9	D495 F847	D495-S849 WeakPolarHBondContact OD1-CB 3.4Å; D495-S849 PolarHBondContact OD1-OG 3.29Å; D495-S849 PolarHBondContact OD2-OG 3.13Å; F847-S849 VanDerWaalsContact C-N 3.3Å; F847-S849 PolarHBondContact O-N 3.16Å
850	H	93.1	Very high	92.4	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.102	23%	0.227	C	C	.	.			trans	-152.4	166.8	-179	61.5	73.8	0	0	0	112	L845 F847 R1019 D1020	L845-H850 WeakPolarHBondContact O-CB 3.47Å; F847-H850 PolarHBondContact O-CD2 3.32Å; H850-R1019 VanDerWaalsContact CB-NH1 3.26Å; H850-R1019 PolarHBondContact CD2-NH1 3.22Å; H850-R1019 WeakPolarHBondContact CE1-CB 3.22Å; H850-R1019 VanDerWaalsContact CG-NH1 3.27Å; H850-D1020 PolarHBondContact CE1-O 3.36Å
851	S	94.8	Very high	92	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.262	C	S	.	.			trans	-61.1	148	174	-60.6	0	0	0	0	112.1	S844 L855 I857 S1017	S844-S851 VanDerWaalsContact OG-CB 3.31Å; S844-S851 WeakPolarHBondContact OG-CB 3.33Å; S844-S851 PolarHBondContact OG-N 3.26Å; S851-L855 WeakPolarHBondContact CA-O 3.44Å; S851-I857 PolarHBondContact OG-N 2.87Å; S851-I857 PolarHBondContact OG-O 3.23Å; S851-S1017 PolarHBondContact O-OG 3Å; S851-S1017 VanDerWaalsContact O-OG 3.05Å
852	G	94.3	Very high	91.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.			trans	-160.5	-149.8	174.7	0	0	0	0	0	111.3	Y854 L855 R1015 D1021	G852-Y854 VanDerWaalsContact C-N 3.34Å; G852-Y854 PolarHBondContact O-N 2.83Å; G852-L855 PolarHBondContact N-O 3.14Å; G852-R1015 PolarHBondContact O-NH1 2.96Å; G852-D1021 VanDerWaalsContact C-OD2 3.25Å; G852-D1021 VanDerWaalsContact CA-OD2 3.32Å; G852-D1021 WeakPolarHBondContact CA-OD2 3.45Å
853	A	93.5	Very high	91.8	Very high	5 Å²	5	54 Å²	54	4%	0.041	29%	0.285	C	S	.	.	S	Bend	trans	-60.9	-43.6	-180	0	0	0	0	0	111.9	S503 D1021 V1025	S503-A853 PolarHBondContact OG-O 3.43Å; A853-D1021 PolarHBondContact N-OD2 2.94Å; A853-V1025 HydrophobicContact CB-CG2 4.46Å
854	Y	96.1	Very high	91.7	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.024	30%	0.297	C	S	.	.	S	Bend	trans	-95.8	-42.6	-177.5	-57.8	-94.2	0	0	0	111.8	W174 F285 W497 G499 Y500 D566 T571 G852 D1021 R1023 V1025	W174-Y854 PolarHBondContact NE1-OH 2.74Å; F285-Y854 HydrophobicContact CD2-CD1 4.32Å; F285-Y854 HydrophobicContact CE1-CE1 4.15Å; F285-Y854 AromaticContact CE2-CD1 3.92Å; F285-Y854 HydrophobicContact CE2-CD1 3.92Å; F285-Y854 AromaticContact CE2-CE1 3.73Å; F285-Y854 HydrophobicContact CE2-CE1 3.73Å; F285-Y854 HydrophobicContact CZ-CD1 4.1Å; F285-Y854 AromaticContact CZ-CE1 3.53Å; F285-Y854 HydrophobicContact CZ-CE1 3.53Å; W497-Y854 AromaticContact CE3-CD1 3.51Å; W497-Y854 HydrophobicContact CE3-CD1 3.51Å; W497-Y854 HydrophobicContact CE3-CE1 4.34Å; W497-Y854 HydrophobicContact CE3-CG 4.08Å; W497-Y854 HydrophobicContact CH2-CD1 4.04Å; W497-Y854 HydrophobicContact CH2-CE1 4.34Å; W497-Y854 HydrophobicContact CH2-CG 4.44Å; W497-Y854 AromaticContact CZ3-CD1 3.2Å; W497-Y854 HydrophobicContact CZ3-CD1 3.2Å; W497-Y854 AromaticContact CZ3-CE1 3.63Å; W497-Y854 HydrophobicContact CZ3-CE1 3.63Å; W497-Y854 AromaticContact CZ3-CG 3.91Å; W497-Y854 HydrophobicContact CZ3-CG 3.91Å; G499-Y854 VanDerWaalsContact CA-O 3.3Å; G499-Y854 WeakPolarHBondContact CA-O 3.41Å; G499-Y854 PolarHBondContact N-O 2.85Å; Y500-Y854 PolarHBondContact N-O 3.32Å; D566-Y854 PolarHBondContact OD1-OH 2.52Å; T571-Y854 VanDerWaalsContact CB-CZ 3.45Å; T571-Y854 HydrophobicContact CG2-CD1 3.38Å; T571-Y854 HydrophobicContact CG2-CD2 4.33Å; T571-Y854 HydrophobicContact CG2-CE1 3.45Å; T571-Y854 VanDerWaalsContact CG2-CE1 3.45Å; T571-Y854 HydrophobicContact CG2-CE2 4.4Å; T571-Y854 HydrophobicContact CG2-CG 3.87Å; T571-Y854 PolarHBondContact O-OH 3.36Å; T571-Y854 WeakPolarHBondContact OG1-CE1 3.24Å; G852-Y854 VanDerWaalsContact C-N 3.34Å; G852-Y854 PolarHBondContact O-N 2.83Å; Y854-D1021 WeakPolarHBondContact CA-OD2 3.38Å; Y854-D1021 PolarHBondContact N-OD2 3.31Å; Y854-R1023 HydrophobicContact CD2-CB 3.38Å; Y854-R1023 HydrophobicContact CD2-CG 4.25Å; Y854-R1023 HydrophobicContact CE2-CB 3.64Å; Y854-R1023 HydrophobicContact CG-CB 4.03Å; Y854-V1025 HydrophobicContact CE2-CB 4.39Å; Y854-V1025 HydrophobicContact CE2-CG2 3.52Å; Y854-V1025 WeakPolarHBondContact OH-CG2 3.31Å
855	L	96.6	Very high	91.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.302	C	S	.	.			trans	-92.5	148	-167.5	-55.3	-174.1	0	0	0	113.7	D495 W497 S851 G852 I857 R1015 D1021	D495-L855 HydrophobicContact CB-CD1 4.04Å; D495-L855 HydrophobicContact CB-CD2 4.27Å; W497-L855 HydrophobicContact CG-CD2 4.09Å; S851-L855 WeakPolarHBondContact CA-O 3.44Å; G852-L855 PolarHBondContact N-O 3.14Å; L855-I857 HydrophobicContact CB-CD1 4.37Å; L855-I857 HydrophobicContact CB-CG1 4.29Å; L855-I857 HydrophobicContact CD1-CD1 4.06Å; L855-R1015 PolarHBondContact O-NH2 2.8Å; L855-D1021 HydrophobicContact CB-CB 4.28Å; L855-D1021 HydrophobicContact CD1-CB 4Å; L855-D1021 HydrophobicContact CG-CB 4.04Å; L855-D1021 PolarHBondContact N-OD2 3.31Å
856	F	96.4	Very high	91.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.			trans	-119.7	114.2	164.9	176.5	-135	0	0	0	108.8	S498 Y842 P858 D923 F925 L959 Q960 V963 W1012	S498-F856 WeakPolarHBondContact OG-CB 3.08Å; Y842-F856 HydrophobicContact CD2-CZ 4.26Å; Y842-F856 HydrophobicContact CG-CZ 4.25Å; F856-P858 HydrophobicContact CE1-CG 4.1Å; F856-P858 HydrophobicContact CE2-CB 3.9Å; F856-P858 HydrophobicContact CE2-CG 4.07Å; F856-P858 HydrophobicContact CZ-CB 3.86Å; F856-P858 HydrophobicContact CZ-CG 3.71Å; F856-D923 HydrophobicContact CD2-CB 4.41Å; F856-D923 HydrophobicContact CE2-CB 3.9Å; F856-D923 WeakPolarHBondContact CE2-OD2 3.48Å; F856-F925 HydrophobicContact CE1-CZ 4.38Å; F856-F925 HydrophobicContact CZ-CE2 4.17Å; F856-F925 HydrophobicContact CZ-CZ 4.28Å; F856-L959 HydrophobicContact CE1-CD2 4.3Å; F856-L959 HydrophobicContact CE1-CG 4.26Å; F856-L959 HydrophobicContact CZ-CD2 4.32Å; F856-Q960 HydrophobicContact CB-CB 4.25Å; F856-Q960 HydrophobicContact CD1-CB 3.6Å; F856-Q960 HydrophobicContact CE1-CB 4.29Å; F856-Q960 HydrophobicContact CG-CB 4.21Å; F856-Q960 WeakPolarHBondContact O-CB 3.39Å; F856-Q960 WeakPolarHBondContact O-CG 3.37Å; F856-V963 HydrophobicContact CD1-CG2 4.16Å; F856-V963 HydrophobicContact CE1-CG2 3.99Å; F856-W1012 HydrophobicContact CB-CH2 3.73Å; F856-W1012 HydrophobicContact CB-CZ3 4.39Å; F856-W1012 AromaticContact CD1-CH2 3.85Å; F856-W1012 HydrophobicContact CD1-CH2 3.85Å; F856-W1012 HydrophobicContact CD1-CZ3 4.1Å; F856-W1012 AromaticContact CD2-CH2 3.62Å; F856-W1012 HydrophobicContact CD2-CH2 3.62Å; F856-W1012 AromaticContact CD2-CZ2 3.96Å; F856-W1012 HydrophobicContact CD2-CZ2 3.96Å; F856-W1012 HydrophobicContact CE1-CH2 4.4Å; F856-W1012 HydrophobicContact CE2-CH2 4.21Å; F856-W1012 HydrophobicContact CE2-CZ2 4.28Å; F856-W1012 AromaticContact CG-CH2 3.44Å; F856-W1012 HydrophobicContact CG-CH2 3.44Å; F856-W1012 VanDerWaalsContact CG-CH2 3.44Å; F856-W1012 HydrophobicContact CG-CZ2 4.24Å; F856-W1012 HydrophobicContact CG-CZ3 4.12Å
857	I	95.6	Very high	91.5	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.046	31%	0.305	C	S	.	.			trans	-137.3	88	-179.1	-53.7	-173.6	0	0	0	108	L845 S851 L855	L845-I857 HydrophobicContact CB-CG2 3.83Å; L845-I857 HydrophobicContact CD2-CG2 3.86Å; L845-I857 PolarHBondContact N-O 2.98Å; S851-I857 PolarHBondContact OG-N 2.87Å; S851-I857 PolarHBondContact OG-O 3.23Å; L855-I857 HydrophobicContact CB-CD1 4.37Å; L855-I857 HydrophobicContact CB-CG1 4.29Å; L855-I857 HydrophobicContact CD1-CD1 4.06Å
858	P	95.6	Very high	92	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.104	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-72.9	144.1	-176.2	28.1	-33.3	0	0	0	112.8	Y842 K843 F856 G860 L959	Y842-P858 HydrophobicContact CD1-CB 3.64Å; Y842-P858 HydrophobicContact CD1-CG 4.5Å; Y842-P858 HydrophobicContact CE1-CB 4.47Å; Y842-P858 HydrophobicContact CG-CB 4.03Å; K843-P858 CarbonylContact O-C 3.46Å; K843-P858 WeakPolarHBondContact O-CA 3.43Å; F856-P858 HydrophobicContact CE1-CG 4.1Å; F856-P858 HydrophobicContact CE2-CB 3.9Å; F856-P858 HydrophobicContact CE2-CG 4.07Å; F856-P858 HydrophobicContact CZ-CB 3.86Å; F856-P858 HydrophobicContact CZ-CG 3.71Å; P858-G860 PolarHBondContact O-N 3.41Å; P858-L959 HydrophobicContact CG-CB 4.4Å; P858-L959 HydrophobicContact CG-CD2 4.14Å
859	D	93.1	Very high	92.6	Very high	80 Å²	80	45.4 Å²	45.4	43%	0.428	26%	0.263	S	S	.	.	S	Bend	trans	-84.4	78.6	172.2	-169.6	16.3	0	0	0	110.4	K843 L845	K843-D859 HydrophobicContact CB-CB 4.45Å; K843-D859 PolarHBondContact O-N 2.98Å; L845-D859 HydrophobicContact CD1-CB 4.44Å
860	G	90.6	Very high	92.9	Very high	51 Å²	51	45.5 Å²	45.5	53%	0.526	26%	0.263	S	S	.	.	S	Bend	trans	82.3	-149	177.2	0	0	0	0	0	114.5	P858	P858-G860 PolarHBondContact O-N 3.41Å
861	L	89.7	Confident	92.9	Very high	166 Å²	166	44.6 Å²	44.6	87%	0.869	26%	0.259	S	S	*	.	S	Bend	trans	-82.6	148.2	-176.9	-60.6	178.5	0	0	0	111.1	E863	L861-E863 PolarHBondContact O-N 2.91Å
862	G	91.4	Very high	92.9	Very high	25 Å²	25	46.6 Å²	46.6	26%	0.258	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-63.6	133.7	179.4	0	0	0	0	0	112.2
863	E	94.2	Very high	92.8	Very high	92 Å²	92	48.8 Å²	48.8	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.6	174.8	-65.3	175	172.2	0	0	109.2	I840 Q841 K843 L861	I840-E863 CarbonylContact C-O 3.53Å; I840-E863 VanDerWaalsContact CA-O 3.31Å; I840-E863 WeakPolarHBondContact CA-O 3.41Å; Q841-E863 HydrophobicContact CG-CB 4.27Å; Q841-E863 PolarHBondContact N-O 3.31Å; Q841-E863 PolarHBondContact O-N 3.16Å; K843-E863 IonicContact NZ-OE1 3.79Å; K843-E863 PolarHBondContact NZ-OE1 2.94Å; K843-E863 IonicContact NZ-OE2 3.78Å; K843-E863 PolarHBondContact NZ-OE2 2.95Å; L861-E863 PolarHBondContact O-N 2.91Å
864	P	93.3	Very high	92.8	Very high	105 Å²	105	48.7 Å²	48.7	68%	0.682	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.7	170.7	-22.3	33.2	0	0	0	111.4
865	S	88.9	Confident	92.7	Very high	19 Å²	19	53 Å²	53	13%	0.133	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.6	152.2	171.6	-62.2	0	0	0	0	111	F839	F839-S865 WeakPolarHBondContact CB-OG 3.38Å; F839-S865 PolarHBondContact O-N 3.03Å
866	P	87.7	Confident	92.5	Very high	62 Å²	62	53.6 Å²	53.6	40%	0.403	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-56.5	150	177.6	-27	37.1	0	0	0	112.9
867	N	88.1	Confident	92.4	Very high	116 Å²	116	56.5 Å²	56.5	62%	0.62	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-52.8	145.4	178.1	-76.1	-19.5	0	0	0	111.7
868	P	92.5	Very high	92.3	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.032	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-57.1	151.3	174.7	-22	32.6	0	0	0	111.9	V789 T818 Y820 V884 Y885 T886	V789-P868 WeakPolarHBondContact CB-O 3.48Å; V789-P868 WeakPolarHBondContact CG1-O 3.21Å; V789-P868 HydrophobicContact CG2-CB 4.14Å; V789-P868 WeakPolarHBondContact CG2-O 3.33Å; T818-P868 WeakPolarHBondContact O-CG 3.38Å; Y820-P868 HydrophobicContact CD2-CG 4.38Å; Y820-P868 HydrophobicContact CE1-CG 4.34Å; Y820-P868 HydrophobicContact CE2-CG 3.6Å; P868-V884 HydrophobicContact CB-CG1 3.49Å; P868-V884 VanDerWaalsContact CB-CG1 3.49Å; P868-V884 HydrophobicContact CG-CG1 3.36Å; P868-Y885 WeakPolarHBondContact CA-O 3.44Å; P868-T886 HydrophobicContact CG-CG2 4.31Å
869	K	91.3	Very high	92.4	Very high	149 Å²	149	55.8 Å²	55.8	65%	0.648	31%	0.31	S	S	*	.	S	Bend	trans	-78.6	-41	174.7	-64	177.6	-178.4	173.4	0	111.2	V789 Y885	V789-K869 PolarHBondContact N-O 3.36Å; K869-Y885 PolarHBondContact N-O 3.29Å
870	S	93.4	Very high	92.5	Very high	25 Å²	25	52 Å²	52	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	164	-179.2	55.6	0	0	0	0	109.5	I787 Y885	I787-S870 CarbonylContact O-C 3.49Å; I787-S870 WeakPolarHBondContact O-CA 3.28Å; I787-S870 VanDerWaalsContact O-CB 3.25Å; I787-S870 WeakPolarHBondContact O-CB 3.38Å; S870-Y885 PolarHBondContact O-N 3.5Å; S870-Y885 WeakPolarHBondContact OG-CD2 3.25Å
871	Y	94.8	Very high	92.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.6	166.2	65.7	-92.2	0	0	0	110	I787 V789 L803 S816 V883	I787-Y871 HydrophobicContact CB-CD1 4.47Å; I787-Y871 HydrophobicContact CB-CD2 4.35Å; I787-Y871 HydrophobicContact CB-CE1 4.07Å; I787-Y871 HydrophobicContact CB-CE2 3.92Å; I787-Y871 HydrophobicContact CD1-CE2 3.62Å; I787-Y871 HydrophobicContact CG1-CE2 4.22Å; I787-Y871 HydrophobicContact CG2-CE1 3.79Å; I787-Y871 HydrophobicContact CG2-CE2 4.33Å; I787-Y871 PolarHBondContact N-O 3.34Å; I787-Y871 PolarHBondContact O-N 3.46Å; V789-Y871 HydrophobicContact CG2-CD1 3.99Å; V789-Y871 HydrophobicContact CG2-CE1 4.47Å; L803-Y871 HydrophobicContact CD2-CD2 4.29Å; L803-Y871 HydrophobicContact CD2-CE2 3.7Å; S816-Y871 PolarHBondContact O-OH 3.49Å; Y871-V883 CarbonylContact C-O 3.58Å; Y871-V883 WeakPolarHBondContact CA-O 3.42Å; Y871-V883 WeakPolarHBondContact CB-O 3.37Å
872	R	93.7	Very high	93.2	Very high	42 Å²	42	42 Å²	42	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.5	176.7	179.1	-178.1	83.9	144	8.5	108.3	E735 P784 Q785 L786 E881 V882 V883 Y885	E735-R872 IonicContact OE1-CZ 2.76Å; E735-R872 VanDerWaalsContact OE1-CZ 3.28Å; E735-R872 IonicContact OE1-NH1 2.98Å; E735-R872 PolarHBondContact OE1-NH1 3.43Å; E735-R872 IonicContact OE1-NH2 2.77Å; E735-R872 PolarHBondContact OE1-NH2 2.78Å; E735-R872 VanDerWaalsContact OE1-NH2 3.17Å; P784-R872 HydrophobicContact CB-CG 3.69Å; Q785-R872 CarbonylContact O-C 3.54Å; Q785-R872 VanDerWaalsContact O-CA 3.28Å; Q785-R872 WeakPolarHBondContact O-CA 3.5Å; L786-R872 HydrophobicContact CD1-CB 4.13Å; R872-E881 IonicContact CZ-OE2 2.83Å; R872-E881 IonicContact NE-OE2 3.58Å; R872-E881 IonicContact NH2-OE2 3.32Å; R872-E881 PolarHBondContact NH2-OE2 2.7Å; R872-V882 CarbonylContact O-C 3.58Å; R872-V882 WeakPolarHBondContact O-CA 3.49Å; R872-V883 HydrophobicContact CB-CB 4.3Å; R872-V883 PolarHBondContact N-O 2.76Å; R872-V883 PolarHBondContact O-N 3.19Å; R872-Y885 HydrophobicContact CB-CE2 3.93Å
873	Y	93	Very high	93.5	Very high	47 Å²	47	41 Å²	41	18%	0.184	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.8	170.6	84.1	-84.1	0	0	0	111.5	Q785 I787 L803 K875 E881	Q785-Y873 HydrophobicContact CB-CD1 3.84Å; Q785-Y873 HydrophobicContact CB-CE1 3.42Å; Q785-Y873 VanDerWaalsContact CB-CE1 3.42Å; Q785-Y873 VanDerWaalsContact CD-CZ 3.48Å; Q785-Y873 HydrophobicContact CG-CE1 4.05Å; Q785-Y873 PolarHBondContact N-O 2.8Å; Q785-Y873 PolarHBondContact NE2-OH 3.47Å; Q785-Y873 VanDerWaalsContact NE2-OH 3.11Å; Q785-Y873 PolarHBondContact O-N 2.98Å; Q785-Y873 VanDerWaalsContact OE1-CE1 3.28Å; Q785-Y873 VanDerWaalsContact OE1-CZ 3.25Å; Q785-Y873 PolarHBondContact OE1-OH 2.81Å; I787-Y873 HydrophobicContact CD1-CD1 3.85Å; I787-Y873 HydrophobicContact CD1-CE1 3.69Å; L803-Y873 HydrophobicContact CD1-CD1 4.26Å; L803-Y873 HydrophobicContact CD1-CD2 3.86Å; L803-Y873 HydrophobicContact CD1-CE2 4.33Å; L803-Y873 HydrophobicContact CD1-CG 3.81Å; Y873-K875 HydrophobicContact CD2-CG 4.48Å; Y873-E881 CarbonylContact C-O 3.59Å; Y873-E881 WeakPolarHBondContact CA-O 3.45Å
874	T	93.3	Very high	93.6	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	-177	-59.2	0	0	0	0	108.1	V782 P784 D880 E881	V782-T874 HydrophobicContact CB-CG2 4.39Å; V782-T874 HydrophobicContact CG1-CG2 3.49Å; V782-T874 VanDerWaalsContact CG1-CG2 3.49Å; P784-T874 WeakPolarHBondContact CB-OG1 3.27Å; P784-T874 HydrophobicContact CG-CG2 4.47Å; P784-T874 WeakPolarHBondContact CG-OG1 3.44Å; T874-D880 VanDerWaalsContact O-CA 3.32Å; T874-D880 WeakPolarHBondContact O-CA 3.15Å; T874-E881 PolarHBondContact N-O 3.08Å; T874-E881 PolarHBondContact O-N 2.92Å
875	K	93.4	Very high	93.7	Very high	96 Å²	96	35 Å²	35	42%	0.417	18%	0.175	S	C	.	.			trans	-112.4	123.8	169.1	-75.6	-149.2	177.6	-158.2	0	110.3	V782 F804 Y873 D880	V782-K875 WeakPolarHBondContact CG1-O 3.48Å; F804-K875 WeakPolarHBondContact O-CE 3.27Å; F804-K875 PolarHBondContact O-NZ 3.15Å; Y873-K875 HydrophobicContact CD2-CG 4.48Å; K875-D880 VanDerWaalsContact CA-OD1 3.28Å; K875-D880 WeakPolarHBondContact CA-OD1 3.24Å
876	G	93.5	Very high	93.9	Very high	13 Å²	13	35 Å²	35	13%	0.134	17%	0.174	C	C	.	.			trans	-133.5	179.8	-177.9	0	0	0	0	0	113.5	V879 D880 K897	G876-V879 WeakPolarHBondContact CA-O 3.49Å; G876-V879 PolarHBondContact N-O 3.21Å; G876-D880 PolarHBondContact N-OD1 3.46Å; G876-K897 WeakPolarHBondContact O-CE 3.42Å; G876-K897 PolarHBondContact O-NZ 3.48Å
877	N	92.6	Very high	94	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	17%	0.17	S	C	.	.	S	Bend	trans	-86.5	-21.7	176.1	60.9	-36.4	0	0	0	112.9	Q733 K897	Q733-N877 WeakPolarHBondContact CB-OD1 3.21Å; Q733-N877 PolarHBondContact OE1-OD1 3.02Å; N877-K897 WeakPolarHBondContact O-CD 3.42Å
878	L	95.1	Very high	94.2	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.052	15%	0.146	C	C	.	.	S	Bend	trans	-113.8	-33.6	178.9	-62.8	-178.4	0	0	0	112.9	I701 Q733 Y752 K897	I701-L878 HydrophobicContact CD1-CB 4.04Å; I701-L878 HydrophobicContact CD1-CD2 4.48Å; I701-L878 VanDerWaalsContact CD1-O 3.27Å; I701-L878 WeakPolarHBondContact CD1-O 3.23Å; Q733-L878 HydrophobicContact CB-CB 4.01Å; Q733-L878 HydrophobicContact CB-CD1 3.95Å; Q733-L878 HydrophobicContact CB-CG 4.12Å; Y752-L878 WeakPolarHBondContact O-CD1 3.27Å; L878-K897 WeakPolarHBondContact O-CB 3.3Å; L878-K897 PolarHBondContact O-N 3.43Å
879	V	96	Very high	94.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.4	-177.6	-177.9	0	0	0	0	110.3	I701 Q733 Y752 G876 L895 Y896	I701-V879 HydrophobicContact CG2-CG2 4.34Å; Q733-V879 PolarHBondContact NE2-O 2.97Å; Q733-V879 PolarHBondContact OE1-O 2.94Å; Y752-V879 HydrophobicContact CD1-CB 4.43Å; Y752-V879 HydrophobicContact CD1-CG2 3.53Å; Y752-V879 HydrophobicContact CD2-CG2 4.38Å; Y752-V879 HydrophobicContact CE1-CB 4.38Å; Y752-V879 HydrophobicContact CE1-CG1 4.4Å; Y752-V879 HydrophobicContact CE1-CG2 3.81Å; Y752-V879 HydrophobicContact CG-CG2 3.83Å; G876-V879 WeakPolarHBondContact CA-O 3.49Å; G876-V879 PolarHBondContact N-O 3.21Å; V879-L895 WeakPolarHBondContact CA-O 3.36Å; V879-Y896 HydrophobicContact CG2-CD1 3.53Å; V879-Y896 HydrophobicContact CG2-CE1 3.82Å; V879-Y896 HydrophobicContact CG2-CG 4.47Å
880	D	97	Very high	94.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144	162.1	-67.9	-8.4	0	0	0	110	I805 E806 T874 K875 G876 R894 L895 K897	I805-D880 HydrophobicContact CB-CB 3.6Å; I805-D880 HydrophobicContact CG1-CB 4.45Å; I805-D880 HydrophobicContact CG2-CB 3.93Å; E806-D880 PolarHBondContact N-OD2 2.96Å; T874-D880 VanDerWaalsContact O-CA 3.32Å; T874-D880 WeakPolarHBondContact O-CA 3.15Å; K875-D880 VanDerWaalsContact CA-OD1 3.28Å; K875-D880 WeakPolarHBondContact CA-OD1 3.24Å; G876-D880 PolarHBondContact N-OD1 3.46Å; D880-R894 WeakPolarHBondContact O-CA 3.2Å; D880-L895 PolarHBondContact N-O 3.22Å; D880-L895 PolarHBondContact O-N 2.9Å; D880-K897 WeakPolarHBondContact OD1-CE 3.44Å; D880-K897 IonicContact OD1-NZ 2.82Å; D880-K897 PolarHBondContact OD1-NZ 2.79Å; D880-K897 WeakPolarHBondContact OD2-CE 3.48Å; D880-K897 IonicContact OD2-NZ 3.22Å; D880-K897 PolarHBondContact OD2-NZ 3.35Å
881	E	96.3	Very high	94.7	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.6	-174.4	-178.7	-174.4	-101.3	0	0	111.7	R872 Y873 T874 V883 T892 V893 R894	R872-E881 IonicContact CZ-OE2 2.83Å; R872-E881 IonicContact NE-OE2 3.58Å; R872-E881 IonicContact NH2-OE2 3.32Å; R872-E881 PolarHBondContact NH2-OE2 2.7Å; Y873-E881 CarbonylContact C-O 3.59Å; Y873-E881 WeakPolarHBondContact CA-O 3.45Å; T874-E881 PolarHBondContact N-O 3.08Å; T874-E881 PolarHBondContact O-N 2.92Å; E881-V883 VanDerWaalsContact CD-CG2 3.49Å; E881-V883 HydrophobicContact CG-CG2 3.83Å; E881-V883 WeakPolarHBondContact OE2-CG2 3.46Å; E881-T892 HydrophobicContact CG-CG2 3.59Å; E881-T892 WeakPolarHBondContact OE1-CG2 3.2Å; E881-V893 WeakPolarHBondContact CA-O 3.35Å; E881-R894 HydrophobicContact CB-CG 3.98Å; E881-R894 HydrophobicContact CG-CG 3.64Å; E881-R894 IonicContact OE1-CZ 2.74Å; E881-R894 IonicContact OE1-NE 2.77Å; E881-R894 PolarHBondContact OE1-NE 3.39Å; E881-R894 IonicContact OE1-NH2 3.66Å; E881-R894 PolarHBondContact OE1-NH2 2.63Å
882	V	97.5	Very high	94.8	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.3	163.1	-178.8	0	0	0	0	109.2	L803 I805 F814 R872 V884 T892 V893	L803-V882 HydrophobicContact CD2-CG2 4.47Å; I805-V882 HydrophobicContact CD1-CG2 4.48Å; I805-V882 HydrophobicContact CG2-CG2 3.75Å; F814-V882 HydrophobicContact CD1-CB 4.19Å; F814-V882 HydrophobicContact CD1-CG1 4.07Å; F814-V882 HydrophobicContact CD1-CG2 4.1Å; F814-V882 HydrophobicContact CD2-CG2 4.1Å; F814-V882 HydrophobicContact CE1-CB 3.8Å; F814-V882 HydrophobicContact CE1-CG1 4.15Å; F814-V882 HydrophobicContact CE1-CG2 3.85Å; F814-V882 HydrophobicContact CE2-CG2 3.88Å; F814-V882 HydrophobicContact CG-CG2 4.22Å; F814-V882 HydrophobicContact CZ-CB 4.09Å; F814-V882 HydrophobicContact CZ-CG2 3.74Å; R872-V882 CarbonylContact O-C 3.58Å; R872-V882 WeakPolarHBondContact O-CA 3.49Å; V882-V884 HydrophobicContact CG1-CG2 4.26Å; V882-T892 CarbonylContact O-C 3.55Å; V882-T892 WeakPolarHBondContact O-CA 3.49Å; V882-V893 PolarHBondContact N-O 3.26Å; V882-V893 PolarHBondContact O-N 3.05Å
883	V	97.2	Very high	95	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.03	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	176.4	-172.7	0	0	0	0	109.3	Y871 R872 E881 Y885 T890 H891 T892	Y871-V883 CarbonylContact C-O 3.58Å; Y871-V883 WeakPolarHBondContact CA-O 3.42Å; Y871-V883 WeakPolarHBondContact CB-O 3.37Å; R872-V883 HydrophobicContact CB-CB 4.3Å; R872-V883 PolarHBondContact N-O 2.76Å; R872-V883 PolarHBondContact O-N 3.19Å; E881-V883 VanDerWaalsContact CD-CG2 3.49Å; E881-V883 HydrophobicContact CG-CG2 3.83Å; E881-V883 WeakPolarHBondContact OE2-CG2 3.46Å; V883-Y885 HydrophobicContact CB-CE2 4.5Å; V883-Y885 HydrophobicContact CG1-CD1 4.4Å; V883-Y885 HydrophobicContact CG1-CE1 3.77Å; V883-Y885 HydrophobicContact CG1-CE2 4.2Å; V883-T890 HydrophobicContact CG1-CG2 3.51Å; V883-H891 CarbonylContact C-O 3.55Å; V883-H891 WeakPolarHBondContact CA-O 3.42Å; V883-T892 HydrophobicContact CG2-CG2 3.87Å
884	V	97.2	Very high	95.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.9	-179.8	-175.5	0	0	0	0	109.3	G819 Y820 P868 V882 T886 H891	G819-V884 VanDerWaalsContact O-CG2 3.23Å; G819-V884 WeakPolarHBondContact O-CG2 2.7Å; Y820-V884 HydrophobicContact CD1-CG1 4.23Å; Y820-V884 HydrophobicContact CD1-CG2 4.36Å; Y820-V884 HydrophobicContact CE1-CB 4.4Å; Y820-V884 HydrophobicContact CE1-CG1 3.8Å; P868-V884 HydrophobicContact CB-CG1 3.49Å; P868-V884 VanDerWaalsContact CB-CG1 3.49Å; P868-V884 HydrophobicContact CG-CG1 3.36Å; V882-V884 HydrophobicContact CG1-CG2 4.26Å; V884-T886 HydrophobicContact CG1-CG2 4.17Å; V884-H891 HydrophobicContact CB-CB 4.37Å; V884-H891 PolarHBondContact N-O 3Å; V884-H891 PolarHBondContact O-N 3.25Å
885	Y	95	Very high	95.5	Very high	70 Å²	70	22 Å²	22	28%	0.275	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	97.8	-178.9	-57.3	-76.7	0	0	0	110.4	L786 P868 K869 S870 R872 V883 T890	L786-Y885 HydrophobicContact CD1-CD2 4.37Å; L786-Y885 HydrophobicContact CD1-CE2 3.94Å; P868-Y885 WeakPolarHBondContact CA-O 3.44Å; K869-Y885 PolarHBondContact N-O 3.29Å; S870-Y885 PolarHBondContact O-N 3.5Å; S870-Y885 WeakPolarHBondContact OG-CD2 3.25Å; R872-Y885 HydrophobicContact CB-CE2 3.93Å; V883-Y885 HydrophobicContact CB-CE2 4.5Å; V883-Y885 HydrophobicContact CG1-CD1 4.4Å; V883-Y885 HydrophobicContact CG1-CE1 3.77Å; V883-Y885 HydrophobicContact CG1-CE2 4.2Å; Y885-T890 HydrophobicContact CD1-CG2 3.86Å; Y885-T890 HydrophobicContact CE1-CG2 3.74Å
886	T	93.4	Very high	95.6	Very high	18 Å²	18	18.1 Å²	18.1	11%	0.11	9%	0.091	C	C	.	.			trans	-90.9	-172.8	176.5	78.2	0	0	0	0	111.2	Y820 P868 V884 Y888 V889	Y820-T886 HydrophobicContact CE1-CG2 4.43Å; Y820-T886 WeakPolarHBondContact OH-CG2 3.33Å; P868-T886 HydrophobicContact CG-CG2 4.31Å; V884-T886 HydrophobicContact CG1-CG2 4.17Å; T886-Y888 PolarHBondContact OG1-N 3.01Å; T886-V889 WeakPolarHBondContact CB-O 3.48Å; T886-V889 PolarHBondContact N-O 2.95Å; T886-V889 WeakPolarHBondContact OG1-CA 3.49Å; T886-V889 WeakPolarHBondContact OG1-CB 3.35Å; T886-V889 PolarHBondContact OG1-N 3.26Å; T886-V889 PolarHBondContact OG1-O 2.91Å
887	Q	90.1	Very high	95.6	Very high	71 Å²	71	20 Å²	20	33%	0.332	10%	0.095	S	C	.	.	S	Bend	trans	-63.7	-42.4	175.9	-177.2	177.1	1.1	0	0	113
888	Y	91.3	Very high	95.2	Very high	26 Å²	26	17.4 Å²	17.4	10%	0.102	8%	0.082	C	C	.	.	S	Bend	trans	-118.7	-24.4	-172.9	-54.7	-58.1	0	0	0	113.5	T886 V912 N913 I914 V916 P919 I922	T886-Y888 PolarHBondContact OG1-N 3.01Å; Y888-V912 WeakPolarHBondContact O-CA 2.81Å; Y888-N913 PolarHBondContact O-N 3.46Å; Y888-I914 HydrophobicContact CG-CG2 4.42Å; Y888-V916 WeakPolarHBondContact CE1-O 3.44Å; Y888-P919 HydrophobicContact CE1-CG 4.12Å; Y888-I922 HydrophobicContact CD2-CD1 4.17Å; Y888-I922 HydrophobicContact CE2-CD1 3.78Å
889	V	94.4	Very high	94.3	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.3	-172.4	-170.2	0	0	0	0	110.5	F839 T886 H891 N910 V911 V912 L924	F839-V889 HydrophobicContact CD1-CG2 4.27Å; F839-V889 HydrophobicContact CE1-CB 4.41Å; F839-V889 HydrophobicContact CE1-CG1 4.04Å; F839-V889 HydrophobicContact CE1-CG2 4.16Å; F839-V889 HydrophobicContact CZ-CB 4.47Å; F839-V889 HydrophobicContact CZ-CG1 3.95Å; T886-V889 WeakPolarHBondContact CB-O 3.48Å; T886-V889 PolarHBondContact N-O 2.95Å; T886-V889 WeakPolarHBondContact OG1-CA 3.49Å; T886-V889 WeakPolarHBondContact OG1-CB 3.35Å; T886-V889 PolarHBondContact OG1-N 3.26Å; T886-V889 PolarHBondContact OG1-O 2.91Å; V889-H891 HydrophobicContact CG1-CB 4.18Å; V889-N910 HydrophobicContact CG1-CB 3.72Å; V889-V911 WeakPolarHBondContact CA-O 3.39Å; V889-V912 HydrophobicContact CG1-CG2 4.34Å; V889-V912 HydrophobicContact CG2-CG1 4.47Å; V889-V912 HydrophobicContact CG2-CG2 4.11Å; V889-L924 HydrophobicContact CG2-CD2 3.46Å; V889-L924 VanDerWaalsContact CG2-CD2 3.46Å
890	T	95.4	Very high	93.4	Very high	48 Å²	48	21.1 Å²	21.1	29%	0.294	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.8	157.3	-56.6	0	0	0	0	107.3	V883 Y885 N910 V911	V883-T890 HydrophobicContact CG1-CG2 3.51Å; Y885-T890 HydrophobicContact CD1-CG2 3.86Å; Y885-T890 HydrophobicContact CE1-CG2 3.74Å; T890-N910 WeakPolarHBondContact O-CA 3.37Å; T890-V911 PolarHBondContact N-O 3.25Å; T890-V911 PolarHBondContact O-N 3.04Å
891	H	97.6	Very high	92.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.5	-174.8	170.4	68.8	0	0	0	109.9	F839 V883 V884 V889 V893 N910	F839-H891 HydrophobicContact CE2-CB 3.92Å; F839-H891 AromaticContact CE2-CG 3.91Å; F839-H891 HydrophobicContact CZ-CB 3.89Å; F839-H891 AromaticContact CZ-CG 3.87Å; F839-H891 AromaticContact CZ-ND1 3.75Å; V883-H891 CarbonylContact C-O 3.55Å; V883-H891 WeakPolarHBondContact CA-O 3.42Å; V884-H891 HydrophobicContact CB-CB 4.37Å; V884-H891 PolarHBondContact N-O 3Å; V884-H891 PolarHBondContact O-N 3.25Å; V889-H891 HydrophobicContact CG1-CB 4.18Å; H891-V893 VanDerWaalsContact NE2-CG2 3.3Å; H891-V893 WeakPolarHBondContact NE2-CG2 3.2Å; H891-N910 PolarHBondContact ND1-OD1 3.38Å
892	T	98	Very high	92.5	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.8	-176.4	-54.8	0	0	0	0	110.4	E881 V882 V883 R894 I908 E909	E881-T892 HydrophobicContact CG-CG2 3.59Å; E881-T892 WeakPolarHBondContact OE1-CG2 3.2Å; V882-T892 CarbonylContact O-C 3.55Å; V882-T892 WeakPolarHBondContact O-CA 3.49Å; V883-T892 HydrophobicContact CG2-CG2 3.87Å; T892-R894 HydrophobicContact CG2-CG 3.85Å; T892-R894 VanDerWaalsContact CG2-CZ 3.42Å; T892-R894 VanDerWaalsContact CG2-NE 3.32Å; T892-I908 CarbonylContact O-C 3.55Å; T892-I908 VanDerWaalsContact O-CA 3.29Å; T892-I908 WeakPolarHBondContact O-CA 3.16Å; T892-E909 PolarHBondContact N-O 3.06Å; T892-E909 PolarHBondContact O-N 3.47Å
893	V	98.6	Very high	92.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.5	172.7	-178.7	0	0	0	0	108.3	I805 L812 F814 E881 V882 H891 I906 E907	I805-V893 HydrophobicContact CD1-CG1 4.32Å; L812-V893 HydrophobicContact CD1-CG1 3.86Å; F814-V893 HydrophobicContact CE1-CB 4.07Å; F814-V893 HydrophobicContact CE1-CG1 4.2Å; F814-V893 HydrophobicContact CE1-CG2 4.27Å; F814-V893 HydrophobicContact CZ-CB 4.18Å; F814-V893 HydrophobicContact CZ-CG1 3.93Å; E881-V893 WeakPolarHBondContact CA-O 3.35Å; V882-V893 PolarHBondContact N-O 3.26Å; V882-V893 PolarHBondContact O-N 3.05Å; H891-V893 VanDerWaalsContact NE2-CG2 3.3Å; H891-V893 WeakPolarHBondContact NE2-CG2 3.2Å; V893-I906 HydrophobicContact CG1-CG2 3.51Å; V893-E907 WeakPolarHBondContact CA-O 3.44Å
894	R	97.5	Very high	91.9	Very high	28 Å²	28	22.4 Å²	22.4	11%	0.106	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.5	-176.8	-69.6	160.3	-169.5	135.8	8	112	D880 E881 T892 E907 E909	D880-R894 WeakPolarHBondContact O-CA 3.2Å; E881-R894 HydrophobicContact CB-CG 3.98Å; E881-R894 HydrophobicContact CG-CG 3.64Å; E881-R894 IonicContact OE1-CZ 2.74Å; E881-R894 IonicContact OE1-NE 2.77Å; E881-R894 PolarHBondContact OE1-NE 3.39Å; E881-R894 IonicContact OE1-NH2 3.66Å; E881-R894 PolarHBondContact OE1-NH2 2.63Å; T892-R894 HydrophobicContact CG2-CG 3.85Å; T892-R894 VanDerWaalsContact CG2-CZ 3.42Å; T892-R894 VanDerWaalsContact CG2-NE 3.32Å; R894-E907 HydrophobicContact CB-CB 4.26Å; R894-E907 WeakPolarHBondContact CD-OE1 3.31Å; R894-E907 IonicContact CZ-OE1 3.6Å; R894-E907 PolarHBondContact N-O 2.68Å; R894-E907 IonicContact NE-OE1 3.2Å; R894-E907 IonicContact NH1-OE1 3.12Å; R894-E907 PolarHBondContact NH1-OE1 2.68Å; R894-E907 PolarHBondContact O-N 2.74Å; R894-E909 IonicContact CZ-OE1 3.49Å; R894-E909 IonicContact CZ-OE2 3.4Å; R894-E909 IonicContact NH1-OE1 3.2Å; R894-E909 PolarHBondContact NH1-OE1 2.82Å; R894-E909 IonicContact NH1-OE2 2.9Å; R894-E909 PolarHBondContact NH1-OE2 3.33Å; R894-E909 IonicContact NH2-OE1 2.75Å; R894-E909 PolarHBondContact NH2-OE1 2.99Å; R894-E909 IonicContact NH2-OE2 2.73Å
895	L	97.8	Very high	91.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	165	-70.9	-172.4	0	0	0	110.3	I805 I810 L812 V879 D880 I906	I805-L895 HydrophobicContact CD1-CG 4.15Å; I805-L895 HydrophobicContact CG1-CD1 3.94Å; I805-L895 HydrophobicContact CG1-CG 4.07Å; I810-L895 HydrophobicContact CB-CD1 4.12Å; I810-L895 HydrophobicContact CB-CD2 4.39Å; I810-L895 HydrophobicContact CD1-CD2 4.34Å; I810-L895 HydrophobicContact CG2-CD1 4.12Å; I810-L895 HydrophobicContact CG2-CD2 4.39Å; L812-L895 HydrophobicContact CD1-CD1 4.03Å; L812-L895 HydrophobicContact CD1-CD2 4.15Å; L812-L895 HydrophobicContact CD1-CG 3.97Å; L812-L895 HydrophobicContact CG-CD1 4.05Å; V879-L895 WeakPolarHBondContact CA-O 3.36Å; D880-L895 PolarHBondContact N-O 3.22Å; D880-L895 PolarHBondContact O-N 2.9Å; L895-I906 HydrophobicContact CD2-CG1 4.11Å
896	Y	95.6	Very high	91.9	Very high	14 Å²	14	19.2 Å²	19.2	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.4	173.5	-64.3	-88.1	0	0	0	110.6	I701 N807 V879 Q902 S903 E907	I701-Y896 HydrophobicContact CB-CD1 4.03Å; I701-Y896 HydrophobicContact CD1-CD1 4.15Å; I701-Y896 HydrophobicContact CG2-CD1 4.04Å; I701-Y896 HydrophobicContact CG2-CE1 4.31Å; N807-Y896 VanDerWaalsContact CB-O 3.29Å; N807-Y896 WeakPolarHBondContact CB-O 3.46Å; N807-Y896 PolarHBondContact ND2-O 2.81Å; V879-Y896 HydrophobicContact CG2-CD1 3.53Å; V879-Y896 HydrophobicContact CG2-CE1 3.82Å; V879-Y896 HydrophobicContact CG2-CG 4.47Å; Y896-Q902 HydrophobicContact CD1-CG 4.33Å; Y896-Q902 HydrophobicContact CD2-CG 3.47Å; Y896-Q902 VanDerWaalsContact CD2-CG 3.47Å; Y896-Q902 VanDerWaalsContact CE1-NE2 3.31Å; Y896-Q902 HydrophobicContact CE2-CG 4.04Å; Y896-Q902 VanDerWaalsContact CG-CD 3.41Å; Y896-Q902 HydrophobicContact CG-CG 3.63Å; Y896-Q902 VanDerWaalsContact CZ-NE2 3.32Å; Y896-S903 WeakPolarHBondContact O-CB 3.43Å; Y896-S903 PolarHBondContact O-OG 3.3Å; Y896-S903 VanDerWaalsContact O-OG 3.12Å; Y896-E907 HydrophobicContact CE2-CB 4.19Å; Y896-E907 WeakPolarHBondContact CE2-OE2 3.28Å; Y896-E907 PolarHBondContact OH-OE1 2.71Å; Y896-E907 PolarHBondContact OH-OE2 3.33Å
897	K	93.1	Very high	92.1	Very high	52 Å²	52	19.4 Å²	19.4	23%	0.226	10%	0.104	C	C	.	.			trans	-108.9	86.1	180	-54.9	-175.4	-171.4	-168.8	0	109.3	E806 N807 G876 N877 L878 D880	E806-K897 WeakPolarHBondContact O-CE 3.24Å; N807-K897 HydrophobicContact CB-CG 3.99Å; G876-K897 WeakPolarHBondContact O-CE 3.42Å; G876-K897 PolarHBondContact O-NZ 3.48Å; N877-K897 WeakPolarHBondContact O-CD 3.42Å; L878-K897 WeakPolarHBondContact O-CB 3.3Å; L878-K897 PolarHBondContact O-N 3.43Å; D880-K897 WeakPolarHBondContact OD1-CE 3.44Å; D880-K897 IonicContact OD1-NZ 2.82Å; D880-K897 PolarHBondContact OD1-NZ 2.79Å; D880-K897 WeakPolarHBondContact OD2-CE 3.48Å; D880-K897 IonicContact OD2-NZ 3.22Å; D880-K897 PolarHBondContact OD2-NZ 3.35Å
898	S	84.2	Confident	92.5	Very high	6 Å²	6	16 Å²	16	4%	0.042	9%	0.088	C	C	.	.	S	Bend	trans	-142.5	162	179.1	79.4	0	0	0	0	111	G900 S903	S898-G900 PolarHBondContact O-N 3.1Å; S898-G900 PolarHBondContact OG-N 2.8Å; S898-S903 VanDerWaalsContact C-OG 3.23Å; S898-S903 VanDerWaalsContact CA-OG 3.3Å; S898-S903 WeakPolarHBondContact CA-OG 3.32Å; S898-S903 WeakPolarHBondContact CB-OG 3.09Å; S898-S903 PolarHBondContact N-OG 3.2Å; S898-S903 VanDerWaalsContact O-CB 3.22Å; S898-S903 WeakPolarHBondContact O-CB 3.35Å; S898-S903 PolarHBondContact O-OG 2.99Å; S898-S903 PolarHBondContact OG-OG 3.09Å
899	S	76.6	Confident	92.8	Very high	76 Å²	76	15.7 Å²	15.7	53%	0.531	9%	0.088	S	C	.	.	S	Bend	trans	-77.8	0.5	170.5	55.5	0	0	0	0	113.8	Y809	Y809-S899 PolarHBondContact OH-O 2.84Å
900	G	77.6	Confident	92.9	Very high	13 Å²	13	15.5 Å²	15.5	13%	0.134	9%	0.087	C	C	.	.	S	Bend	trans	-98.5	-171.5	-170.9	0	0	0	0	0	115.8	S898 Q902 S903	S898-G900 PolarHBondContact O-N 3.1Å; S898-G900 PolarHBondContact OG-N 2.8Å; G900-Q902 VanDerWaalsContact C-N 3.25Å; G900-Q902 PolarHBondContact O-N 3.06Å; G900-S903 PolarHBondContact O-N 3.5Å
901	L	85.1	Confident	92.8	Very high	16 Å²	16	14.5 Å²	14.5	8%	0.084	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-54.4	-39.1	178.2	-175	66.5	0	0	0	112.8	S903 Q904 F905 F1060 H1063 I1064 D1067 F1148	L901-S903 PolarHBondContact O-N 2.88Å; L901-S903 VanDerWaalsContact O-N 3.12Å; L901-Q904 PolarHBondContact O-N 2.8Å; L901-F905 HydrophobicContact CG-CE1 4.32Å; L901-F905 WeakPolarHBondContact O-CD1 3.4Å; L901-F905 WeakPolarHBondContact O-CE1 3.32Å; L901-F1060 HydrophobicContact CD1-CD2 3.79Å; L901-F1060 HydrophobicContact CD1-CE2 3.38Å; L901-F1060 HydrophobicContact CD1-CZ 4.13Å; L901-H1063 HydrophobicContact CD2-CB 3.91Å; L901-I1064 HydrophobicContact CD1-CD1 4.34Å; L901-I1064 HydrophobicContact CD1-CG1 3.62Å; L901-I1064 HydrophobicContact CD2-CG1 4.4Å; L901-I1064 HydrophobicContact CG-CG1 4.08Å; L901-D1067 HydrophobicContact CD2-CB 4.3Å; L901-F1148 HydrophobicContact CD1-CD2 4.47Å
902	Q	89.4	Confident	92.6	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.028	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21.6	-174.9	-161.4	-176.3	19	0	0	113.8	Y896 G900 F905	Y896-Q902 HydrophobicContact CD1-CG 4.33Å; Y896-Q902 HydrophobicContact CD2-CG 3.47Å; Y896-Q902 VanDerWaalsContact CD2-CG 3.47Å; Y896-Q902 VanDerWaalsContact CE1-NE2 3.31Å; Y896-Q902 HydrophobicContact CE2-CG 4.04Å; Y896-Q902 VanDerWaalsContact CG-CD 3.41Å; Y896-Q902 HydrophobicContact CG-CG 3.63Å; Y896-Q902 VanDerWaalsContact CZ-NE2 3.32Å; G900-Q902 VanDerWaalsContact C-N 3.25Å; G900-Q902 PolarHBondContact O-N 3.06Å; Q902-F905 HydrophobicContact CG-CZ 4.2Å
903	S	91.3	Very high	92.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-89.2	-4.4	179.5	-52.8	0	0	0	0	113.7	N807 Y896 S898 G900 L901	N807-S903 WeakPolarHBondContact ND2-CA 3.46Å; N807-S903 PolarHBondContact ND2-O 3.5Å; Y896-S903 WeakPolarHBondContact O-CB 3.43Å; Y896-S903 PolarHBondContact O-OG 3.3Å; Y896-S903 VanDerWaalsContact O-OG 3.12Å; S898-S903 VanDerWaalsContact C-OG 3.23Å; S898-S903 VanDerWaalsContact CA-OG 3.3Å; S898-S903 WeakPolarHBondContact CA-OG 3.32Å; S898-S903 WeakPolarHBondContact CB-OG 3.09Å; S898-S903 PolarHBondContact N-OG 3.2Å; S898-S903 VanDerWaalsContact O-CB 3.22Å; S898-S903 WeakPolarHBondContact O-CB 3.35Å; S898-S903 PolarHBondContact O-OG 2.99Å; S898-S903 PolarHBondContact OG-OG 3.09Å; G900-S903 PolarHBondContact O-N 3.5Å; L901-S903 PolarHBondContact O-N 2.88Å; L901-S903 VanDerWaalsContact O-N 3.12Å
904	Q	90.1	Very high	91.7	Very high	18 Å²	18	16.6 Å²	16.6	8%	0.084	9%	0.092	C	C	.	.	S	Bend	trans	-106.1	4.4	-171.9	-58.6	-176	43.4	0	0	113.4	Y809 L901 F1060	Y809-Q904 HydrophobicContact CD1-CG 4.04Å; Y809-Q904 HydrophobicContact CD2-CG 4.03Å; Y809-Q904 HydrophobicContact CE1-CG 4.22Å; Y809-Q904 HydrophobicContact CE2-CG 4.21Å; Y809-Q904 HydrophobicContact CG-CG 3.92Å; L901-Q904 PolarHBondContact O-N 2.8Å; Q904-F1060 HydrophobicContact CB-CE2 4.2Å; Q904-F1060 HydrophobicContact CB-CZ 3.63Å; Q904-F1060 HydrophobicContact CG-CZ 4.43Å; Q904-F1060 VanDerWaalsContact OE1-CZ 3.25Å
905	F	94.5	Very high	91	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.101	C	C	.	.	S	Bend	trans	-133.2	164.2	170.2	60.2	-98.7	0	0	0	110.6	L901 Q902 E907 H1040 F1042 I1064	L901-F905 HydrophobicContact CG-CE1 4.32Å; L901-F905 WeakPolarHBondContact O-CD1 3.4Å; L901-F905 WeakPolarHBondContact O-CE1 3.32Å; Q902-F905 HydrophobicContact CG-CZ 4.2Å; F905-E907 HydrophobicContact CE2-CB 4.39Å; F905-H1040 HydrophobicContact CD2-CB 4.05Å; F905-H1040 AromaticContact CD2-CD2 3.75Å; F905-H1040 AromaticContact CD2-CG 3.7Å; F905-H1040 AromaticContact CE2-CD2 3.49Å; F905-H1040 VanDerWaalsContact CE2-CD2 3.49Å; F905-H1040 WeakPolarHBondContact CE2-CD2 3.19Å; F905-H1040 AromaticContact CE2-CE1 3.49Å; F905-H1040 VanDerWaalsContact CE2-CE1 3.49Å; F905-H1040 WeakPolarHBondContact CE2-CE1 3.4Å; F905-H1040 AromaticContact CE2-CG 3.71Å; F905-H1040 AromaticContact CE2-ND1 3.7Å; F905-H1040 AromaticContact CE2-NE2 3.37Å; F905-H1040 WeakPolarHBondContact CE2-NE2 3.25Å; F905-H1040 HydrophobicContact CG-CB 4.39Å; F905-H1040 AromaticContact CZ-CE1 3.53Å; F905-H1040 AromaticContact CZ-ND1 3.84Å; F905-H1040 AromaticContact CZ-NE2 3.84Å; F905-F1042 HydrophobicContact CB-CB 3.89Å; F905-F1042 HydrophobicContact CB-CD1 4.17Å; F905-F1042 HydrophobicContact CB-CG 4.29Å; F905-I1064 HydrophobicContact CB-CD1 4.19Å; F905-I1064 HydrophobicContact CB-CG2 4.32Å; F905-I1064 HydrophobicContact CD1-CB 4.4Å; F905-I1064 HydrophobicContact CD1-CD1 3.96Å; F905-I1064 HydrophobicContact CD1-CG1 3.85Å; F905-I1064 HydrophobicContact CD1-CG2 3.76Å; F905-I1064 HydrophobicContact CE1-CG1 4.38Å; F905-I1064 HydrophobicContact CE1-CG2 4.19Å; F905-I1064 HydrophobicContact CG-CG2 4.03Å
906	I	97.8	Very high	90.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.3	176	-53	170.3	0	0	0	106.7	I810 L812 M835 V893 L895 I908 H1040 L1041	I810-I906 HydrophobicContact CD1-CG1 4.27Å; L812-I906 HydrophobicContact CD1-CD1 4Å; L812-I906 HydrophobicContact CD1-CG1 4.09Å; L812-I906 HydrophobicContact CD1-CG2 3.96Å; L812-I906 HydrophobicContact CD2-CD1 3.58Å; L812-I906 HydrophobicContact CD2-CG1 4.32Å; L812-I906 HydrophobicContact CG-CD1 4.4Å; M835-I906 HydrophobicContact CE-CD1 3.07Å; M835-I906 HydrophobicContact SD-CD1 4.1Å; V893-I906 HydrophobicContact CG1-CG2 3.51Å; L895-I906 HydrophobicContact CD2-CG1 4.11Å; I906-I908 HydrophobicContact CG2-CG1 4.17Å; I906-H1040 WeakPolarHBondContact O-CA 3.12Å; I906-L1041 HydrophobicContact CB-CB 4.33Å; I906-L1041 WeakPolarHBondContact CB-O 3.45Å; I906-L1041 WeakPolarHBondContact CG1-O 3.49Å; I906-L1041 PolarHBondContact N-O 2.76Å; I906-L1041 PolarHBondContact O-N 2.94Å
907	E	98	Very high	89.2	Confident	22 Å²	22	24.5 Å²	24.5	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.2	171.8	-174.8	-172.5	102.6	0	0	108.2	V893 R894 Y896 F905	V893-E907 WeakPolarHBondContact CA-O 3.44Å; R894-E907 HydrophobicContact CB-CB 4.26Å; R894-E907 WeakPolarHBondContact CD-OE1 3.31Å; R894-E907 IonicContact CZ-OE1 3.6Å; R894-E907 PolarHBondContact N-O 2.68Å; R894-E907 IonicContact NE-OE1 3.2Å; R894-E907 IonicContact NH1-OE1 3.12Å; R894-E907 PolarHBondContact NH1-OE1 2.68Å; R894-E907 PolarHBondContact O-N 2.74Å; Y896-E907 HydrophobicContact CE2-CB 4.19Å; Y896-E907 WeakPolarHBondContact CE2-OE2 3.28Å; Y896-E907 PolarHBondContact OH-OE1 2.71Å; Y896-E907 PolarHBondContact OH-OE2 3.33Å; F905-E907 HydrophobicContact CE2-CB 4.39Å
908	I	98.5	Very high	88.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	174.3	-61.6	170.6	0	0	0	108.1	I837 T892 I906 M926 Q1038 L1039 L1041	I837-I908 HydrophobicContact CD1-CD1 3.7Å; T892-I908 CarbonylContact O-C 3.55Å; T892-I908 VanDerWaalsContact O-CA 3.29Å; T892-I908 WeakPolarHBondContact O-CA 3.16Å; I906-I908 HydrophobicContact CG2-CG1 4.17Å; I908-M926 HydrophobicContact CG2-SD 4.23Å; I908-Q1038 CarbonylContact O-C 3.57Å; I908-Q1038 WeakPolarHBondContact O-CA 3.4Å; I908-L1039 HydrophobicContact CB-CB 4.21Å; I908-L1039 HydrophobicContact CB-CD1 4.3Å; I908-L1039 HydrophobicContact CG2-CD1 3.95Å; I908-L1039 PolarHBondContact N-O 2.95Å; I908-L1039 PolarHBondContact O-N 3.22Å; I908-L1041 HydrophobicContact CD1-CB 3.93Å; I908-L1041 HydrophobicContact CD1-CD2 3.93Å
909	E	97.3	Very high	88.5	Confident	19 Å²	19	31 Å²	31	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.6	173.7	178.6	-177.7	90	0	0	109.5	T892 R894 V911 K1036 S1037 Q1038	T892-E909 PolarHBondContact N-O 3.06Å; T892-E909 PolarHBondContact O-N 3.47Å; R894-E909 IonicContact CZ-OE1 3.49Å; R894-E909 IonicContact CZ-OE2 3.4Å; R894-E909 IonicContact NH1-OE1 3.2Å; R894-E909 PolarHBondContact NH1-OE1 2.82Å; R894-E909 IonicContact NH1-OE2 2.9Å; R894-E909 PolarHBondContact NH1-OE2 3.33Å; R894-E909 IonicContact NH2-OE1 2.75Å; R894-E909 PolarHBondContact NH2-OE1 2.99Å; R894-E909 IonicContact NH2-OE2 2.73Å; E909-V911 HydrophobicContact CG-CG2 4.34Å; E909-K1036 HydrophobicContact CG-CD 4.22Å; E909-K1036 HydrophobicContact CG-CG 3.9Å; E909-S1037 CarbonylContact C-O 3.29Å; E909-S1037 WeakPolarHBondContact CA-O 3.43Å; E909-Q1038 HydrophobicContact CG-CG 4.47Å
910	N	96.7	Very high	88.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.3	171	-51.1	-59	0	0	0	108.9	V889 T890 H891 V912 I1013 K1036 S1037	V889-N910 HydrophobicContact CG1-CB 3.72Å; T890-N910 WeakPolarHBondContact O-CA 3.37Å; H891-N910 PolarHBondContact ND1-OD1 3.38Å; N910-V912 HydrophobicContact CB-CG2 4.42Å; N910-I1013 HydrophobicContact CB-CG2 4.06Å; N910-K1036 CarbonylContact O-C 3.59Å; N910-K1036 WeakPolarHBondContact O-CA 3.24Å; N910-S1037 VanDerWaalsContact CB-OG 3.27Å; N910-S1037 WeakPolarHBondContact CB-OG 3.43Å; N910-S1037 PolarHBondContact N-O 3.22Å; N910-S1037 PolarHBondContact ND2-OG 3.21Å; N910-S1037 VanDerWaalsContact ND2-OG 3.14Å; N910-S1037 PolarHBondContact O-N 2.99Å
911	V	94.5	Very high	89.4	Confident	27 Å²	27	32.9 Å²	32.9	16%	0.164	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.1	168.2	-177	0	0	0	0	107.9	Y665 V889 T890 E909 I1034 V1035 K1036	Y665-V911 HydrophobicContact CD2-CG1 3.89Å; Y665-V911 HydrophobicContact CD2-CG2 4.34Å; Y665-V911 HydrophobicContact CE2-CG1 4.16Å; Y665-V911 HydrophobicContact CE2-CG2 3.75Å; V889-V911 WeakPolarHBondContact CA-O 3.39Å; T890-V911 PolarHBondContact N-O 3.25Å; T890-V911 PolarHBondContact O-N 3.04Å; E909-V911 HydrophobicContact CG-CG2 4.34Å; V911-I1034 HydrophobicContact CG1-CG2 3.87Å; V911-V1035 WeakPolarHBondContact CA-O 3.25Å; V911-K1036 HydrophobicContact CG2-CG 4.45Å
912	V	92.5	Very high	89.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.6	-174.9	-171.3	0	0	0	0	111.3	Y888 V889 N910 I914 L924 I1013 D1014 I1034 V1035	Y888-V912 WeakPolarHBondContact O-CA 2.81Å; V889-V912 HydrophobicContact CG1-CG2 4.34Å; V889-V912 HydrophobicContact CG2-CG1 4.47Å; V889-V912 HydrophobicContact CG2-CG2 4.11Å; N910-V912 HydrophobicContact CB-CG2 4.42Å; V912-I914 HydrophobicContact CG1-CG2 3.85Å; V912-L924 HydrophobicContact CG1-CD2 4.3Å; V912-I1013 HydrophobicContact CG2-CG2 3.32Å; V912-D1014 HydrophobicContact CB-CB 4.25Å; V912-D1014 HydrophobicContact CG1-CB 3.7Å; V912-D1014 WeakPolarHBondContact CG1-OD2 3.41Å; V912-D1014 HydrophobicContact CG2-CB 4.5Å; V912-I1034 WeakPolarHBondContact O-CA 3.39Å; V912-I1034 WeakPolarHBondContact O-CG2 3.26Å; V912-V1035 HydrophobicContact CB-CG1 4.14Å; V912-V1035 PolarHBondContact N-O 3.2Å; V912-V1035 PolarHBondContact O-N 3.26Å
913	N	90.5	Very high	90	Very high	48 Å²	48	32.3 Å²	32.3	26%	0.257	18%	0.179	S	C	.	.			trans	-136.5	80.1	176.7	-174.5	0.3	0	0	0	111	Y888 K915 V916 I1034	Y888-N913 PolarHBondContact O-N 3.46Å; N913-K915 PolarHBondContact O-N 3.45Å; N913-K915 VanDerWaalsContact OD1-CB 3.22Å; N913-K915 WeakPolarHBondContact OD1-CB 3.49Å; N913-K915 WeakPolarHBondContact OD1-CG 3.37Å; N913-K915 PolarHBondContact OD1-N 3.02Å; N913-V916 PolarHBondContact O-N 3.25Å; N913-I1034 HydrophobicContact CB-CG1 4.26Å
914	I	88	Confident	90.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3.2	174.8	60	177.6	0	0	0	113.8	Y888 V912 V916 P919 R1016	Y888-I914 HydrophobicContact CG-CG2 4.42Å; V912-I914 HydrophobicContact CG1-CG2 3.85Å; I914-V916 PolarHBondContact O-N 3.08Å; I914-P919 WeakPolarHBondContact O-CD 3.34Å; I914-R1016 HydrophobicContact CD1-CB 3.76Å
915	K	83.1	Confident	90.5	Very high	70 Å²	70	31.6 Å²	31.6	30%	0.304	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.9	167.8	-56.3	175.6	176.3	178.4	0	111	Y663 N913 G917 R918 E1032	Y663-K915 PolarHBondContact O-NZ 3.26Å; Y663-K915 VanDerWaalsContact O-NZ 3.14Å; N913-K915 PolarHBondContact O-N 3.45Å; N913-K915 VanDerWaalsContact OD1-CB 3.22Å; N913-K915 WeakPolarHBondContact OD1-CB 3.49Å; N913-K915 WeakPolarHBondContact OD1-CG 3.37Å; N913-K915 PolarHBondContact OD1-N 3.02Å; K915-G917 PolarHBondContact O-N 3.07Å; K915-R918 VanDerWaalsContact O-CG 3.27Å; K915-R918 WeakPolarHBondContact O-CG 3.25Å; K915-R918 PolarHBondContact O-N 3.14Å; K915-E1032 WeakPolarHBondContact CE-O 3.22Å; K915-E1032 PolarHBondContact NZ-O 3.01Å
916	V	78.1	Confident	90.7	Very high	68 Å²	68	31.5 Å²	31.5	41%	0.412	18%	0.176	S	C	.	.	S	Bend	trans	-64.3	125.9	177.6	179.8	0	0	0	0	108.7	Y888 N913 I914 R918	Y888-V916 WeakPolarHBondContact CE1-O 3.44Å; N913-V916 PolarHBondContact O-N 3.25Å; I914-V916 PolarHBondContact O-N 3.08Å; V916-R918 PolarHBondContact O-N 3.12Å
917	G	77.6	Confident	90.7	Very high	70 Å²	70	31.8 Å²	31.8	72%	0.722	18%	0.178	S	C	*	.	S	Bend	trans	71.9	-16	-178.7	0	0	0	0	0	115.8	K915	K915-G917 PolarHBondContact O-N 3.07Å
918	R	79.8	Confident	90.7	Very high	173 Å²	173	30.8 Å²	30.8	65%	0.653	17%	0.173	S	C	*	.			trans	45.6	59	180	-62	-176.4	174.6	-175.6	-5.2	113	K915 V916 T920	K915-R918 VanDerWaalsContact O-CG 3.27Å; K915-R918 WeakPolarHBondContact O-CG 3.25Å; K915-R918 PolarHBondContact O-N 3.14Å; V916-R918 PolarHBondContact O-N 3.12Å; R918-T920 PolarHBondContact O-N 3.48Å
919	P	81.7	Confident	90.7	Very high	21 Å²	21	33.4 Å²	33.4	14%	0.136	19%	0.185	C	C	.	.			trans	-57.2	141.5	179.3	26.3	-34.3	0	0	0	111	Y888 I914 I922 R1016	Y888-P919 HydrophobicContact CE1-CG 4.12Å; I914-P919 WeakPolarHBondContact O-CD 3.34Å; P919-I922 HydrophobicContact CB-CB 4.35Å; P919-I922 HydrophobicContact CB-CG2 4.12Å; P919-I922 HydrophobicContact CG-CB 4.35Å; P919-I922 HydrophobicContact CG-CD1 4.34Å; P919-I922 HydrophobicContact CG-CG2 3.64Å; P919-R1016 VanDerWaalsContact O-CD 3.3Å; P919-R1016 WeakPolarHBondContact O-CD 3.09Å; P919-R1016 PolarHBondContact O-NE 2.98Å
920	T	83	Confident	90.8	Very high	109 Å²	109	32.8 Å²	32.8	67%	0.669	18%	0.183	S	C	*	.	S	Bend	trans	-86.7	125.2	169	54.3	0	0	0	0	108.6	R918	R918-T920 PolarHBondContact O-N 3.48Å
921	D	89.6	Confident	90.7	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	21%	0.206	C	C	.	.	S	Bend	trans	55.5	86.1	175.7	-61	-6.8	0	0	0	113.5	R1016 S1018 R1019	D921-R1016 CarbonylContact C-O 3.58Å; D921-R1016 VanDerWaalsContact CA-O 3.28Å; D921-R1016 WeakPolarHBondContact CA-O 3.26Å; D921-S1018 WeakPolarHBondContact OD1-CB 3.37Å; D921-S1018 PolarHBondContact OD1-N 3.43Å; D921-S1018 PolarHBondContact OD1-OG 2.89Å; D921-R1019 IonicContact OD2-CZ 2.72Å; D921-R1019 IonicContact OD2-NE 2.58Å; D921-R1019 PolarHBondContact OD2-NE 2.84Å; D921-R1019 IonicContact OD2-NH2 3.96Å; D921-R1019 PolarHBondContact OD2-NH2 2.76Å
922	I	92.8	Very high	90.8	Very high	7 Å²	7	36 Å²	36	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.7	177.2	-173.2	168.8	0	0	0	111.4	Q841 Y842 Y888 P919 R1015 R1016	Q841-I922 HydrophobicContact CB-CD1 4.16Å; Q841-I922 HydrophobicContact CB-CG1 4.13Å; Y842-I922 WeakPolarHBondContact O-CA 3.38Å; Y888-I922 HydrophobicContact CD2-CD1 4.17Å; Y888-I922 HydrophobicContact CE2-CD1 3.78Å; P919-I922 HydrophobicContact CB-CB 4.35Å; P919-I922 HydrophobicContact CB-CG2 4.12Å; P919-I922 HydrophobicContact CG-CB 4.35Å; P919-I922 HydrophobicContact CG-CD1 4.34Å; P919-I922 HydrophobicContact CG-CG2 3.64Å; I922-R1015 CarbonylContact O-C 3.19Å; I922-R1015 VanDerWaalsContact O-CA 3.24Å; I922-R1015 WeakPolarHBondContact O-CA 3.37Å; I922-R1016 HydrophobicContact CG2-CB 3.99Å; I922-R1016 PolarHBondContact N-O 2.94Å; I922-R1016 PolarHBondContact O-N 3.39Å
923	D	94.7	Very high	91	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.2	167.8	-57.9	-68.9	0	0	0	108.3	Q841 Y842 F856 F925 W1012 R1015	Q841-D923 CarbonylContact C-O 3.53Å; Q841-D923 WeakPolarHBondContact CA-O 3.36Å; Y842-D923 PolarHBondContact N-O 3.47Å; Y842-D923 PolarHBondContact O-N 2.9Å; F856-D923 HydrophobicContact CD2-CB 4.41Å; F856-D923 HydrophobicContact CE2-CB 3.9Å; F856-D923 WeakPolarHBondContact CE2-OD2 3.48Å; D923-F925 HydrophobicContact CB-CE2 4.19Å; D923-W1012 HydrophobicContact CB-CZ2 3.73Å; D923-W1012 WeakPolarHBondContact OD1-CZ2 3.23Å; D923-R1015 VanDerWaalsContact OD1-CB 3.32Å; D923-R1015 WeakPolarHBondContact OD1-CB 3.41Å; D923-R1015 IonicContact OD1-CZ 3.52Å; D923-R1015 VanDerWaalsContact OD1-CZ 3.32Å; D923-R1015 IonicContact OD1-NE 3.94Å; D923-R1015 PolarHBondContact OD1-NE 2.71Å; D923-R1015 IonicContact OD1-NH2 2.8Å; D923-R1015 PolarHBondContact OD1-NH2 2.99Å
924	L	95.4	Very high	91.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.8	-169.9	-176.8	67.5	0	0	0	111.7	F839 Q841 V889 V912 W1012 I1013 D1014	F839-L924 HydrophobicContact CB-CD1 4.38Å; Q841-L924 HydrophobicContact CB-CD1 4.42Å; V889-L924 HydrophobicContact CG2-CD2 3.46Å; V889-L924 VanDerWaalsContact CG2-CD2 3.46Å; V912-L924 HydrophobicContact CG1-CD2 4.3Å; L924-W1012 VanDerWaalsContact O-CD1 3.22Å; L924-I1013 PolarHBondContact O-N 3.15Å; L924-D1014 WeakPolarHBondContact CB-O 3.46Å; L924-D1014 PolarHBondContact N-O 3.48Å
925	F	97.5	Very high	91.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.3	179.3	-70.7	-107.2	0	0	0	111.2	F839 I840 Y842 F856 D923 N1010 V1011 W1012	F839-F925 WeakPolarHBondContact CA-O 3.46Å; I840-F925 HydrophobicContact CD1-CB 4.35Å; I840-F925 HydrophobicContact CG1-CB 3.79Å; I840-F925 PolarHBondContact N-O 3.38Å; I840-F925 PolarHBondContact O-N 2.86Å; Y842-F925 AromaticContact CD2-CD2 3.73Å; Y842-F925 HydrophobicContact CD2-CD2 3.73Å; Y842-F925 AromaticContact CD2-CE2 3.8Å; Y842-F925 HydrophobicContact CD2-CE2 3.8Å; Y842-F925 AromaticContact CE2-CD2 3.68Å; Y842-F925 HydrophobicContact CE2-CD2 3.68Å; Y842-F925 AromaticContact CE2-CE2 3.91Å; Y842-F925 HydrophobicContact CE2-CE2 3.91Å; Y842-F925 HydrophobicContact CE2-CG 4.33Å; F856-F925 HydrophobicContact CE1-CZ 4.38Å; F856-F925 HydrophobicContact CZ-CE2 4.17Å; F856-F925 HydrophobicContact CZ-CZ 4.28Å; D923-F925 HydrophobicContact CB-CE2 4.19Å; F925-N1010 HydrophobicContact CD1-CB 4.16Å; F925-V1011 CarbonylContact C-O 3.58Å; F925-V1011 VanDerWaalsContact CA-O 3.32Å; F925-V1011 WeakPolarHBondContact CA-O 3.31Å; F925-W1012 HydrophobicContact CD1-CB 3.92Å; F925-W1012 HydrophobicContact CD1-CG 4.06Å; F925-W1012 HydrophobicContact CD2-CG 4.25Å; F925-W1012 HydrophobicContact CE1-CB 3.65Å; F925-W1012 AromaticContact CE1-CD2 3.67Å; F925-W1012 HydrophobicContact CE1-CD2 3.67Å; F925-W1012 AromaticContact CE1-CE3 3.83Å; F925-W1012 HydrophobicContact CE1-CE3 3.83Å; F925-W1012 AromaticContact CE1-CG 3.61Å; F925-W1012 HydrophobicContact CE1-CG 3.61Å; F925-W1012 AromaticContact CE2-CD1 3.88Å; F925-W1012 AromaticContact CE2-CD2 3.63Å; F925-W1012 HydrophobicContact CE2-CD2 3.63Å; F925-W1012 AromaticContact CE2-CE2 3.57Å; F925-W1012 HydrophobicContact CE2-CE3 4.24Å; F925-W1012 AromaticContact CE2-CG 3.81Å; F925-W1012 HydrophobicContact CE2-CG 3.81Å; F925-W1012 HydrophobicContact CE2-CZ2 4.11Å; F925-W1012 AromaticContact CE2-NE1 3.71Å; F925-W1012 HydrophobicContact CG-CG 4.37Å; F925-W1012 HydrophobicContact CZ-CB 4.06Å; F925-W1012 AromaticContact CZ-CD2 3.14Å; F925-W1012 HydrophobicContact CZ-CD2 3.14Å; F925-W1012 AromaticContact CZ-CE2 3.56Å; F925-W1012 AromaticContact CZ-CE3 3.36Å; F925-W1012 HydrophobicContact CZ-CE3 3.36Å; F925-W1012 AromaticContact CZ-CG 3.48Å; F925-W1012 HydrophobicContact CZ-CG 3.48Å; F925-W1012 VanDerWaalsContact CZ-CG 3.48Å; F925-W1012 HydrophobicContact CZ-CH2 4.26Å; F925-W1012 HydrophobicContact CZ-CZ2 4.11Å; F925-W1012 AromaticContact CZ-CZ3 3.93Å; F925-W1012 HydrophobicContact CZ-CZ3 3.93Å
926	M	98.1	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.8	160.8	-176.4	179.5	65.3	0	0	108.6	I837 N838 F839 I908 I928 N1010 V1011 I1013 L1039	I837-M926 HydrophobicContact CG2-CG 3.81Å; I837-M926 HydrophobicContact CG2-SD 3.88Å; N838-M926 CarbonylContact O-C 3.55Å; F839-M926 HydrophobicContact CD1-CB 4.09Å; F839-M926 HydrophobicContact CE1-CB 3.78Å; F839-M926 HydrophobicContact CE1-CG 4.02Å; F839-M926 HydrophobicContact CZ-CB 4.43Å; F839-M926 HydrophobicContact CZ-CG 4.18Å; F839-M926 HydrophobicContact CZ-SD 4.38Å; I908-M926 HydrophobicContact CG2-SD 4.23Å; M926-I928 HydrophobicContact CE-CD1 4.11Å; M926-I928 HydrophobicContact CE-CG1 4.41Å; M926-N1010 CarbonylContact O-C 3.58Å; M926-N1010 WeakPolarHBondContact O-CA 3.42Å; M926-V1011 HydrophobicContact CB-CG1 3.89Å; M926-V1011 HydrophobicContact CE-CG1 3.4Å; M926-V1011 PolarHBondContact N-O 2.88Å; M926-V1011 PolarHBondContact O-N 2.89Å; M926-I1013 HydrophobicContact CB-CD1 3.8Å; M926-I1013 HydrophobicContact CB-CG1 3.8Å; M926-I1013 HydrophobicContact CE-CD1 4.49Å; M926-L1039 HydrophobicContact CE-CD1 4.32Å; M926-L1039 HydrophobicContact CE-CD2 3.77Å
927	T	98	Very high	92.9	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.8	178.5	66.5	0	0	0	0	109.2	I837 N838 I840 N1010	I837-T927 VanDerWaalsContact CA-O 3.31Å; I837-T927 WeakPolarHBondContact CA-O 3.48Å; N838-T927 WeakPolarHBondContact CB-OG1 3.46Å; N838-T927 PolarHBondContact N-O 3.33Å; N838-T927 PolarHBondContact O-N 2.75Å; N838-T927 PolarHBondContact O-OG1 2.79Å; I840-T927 HydrophobicContact CB-CG2 4.24Å; I840-T927 HydrophobicContact CD1-CG2 3.62Å; I840-T927 HydrophobicContact CG1-CG2 3.62Å; I840-T927 HydrophobicContact CG2-CG2 3.74Å; T927-N1010 WeakPolarHBondContact CB-OD1 3.46Å; T927-N1010 VanDerWaalsContact CG2-OD1 3.3Å; T927-N1010 WeakPolarHBondContact CG2-OD1 3.45Å
928	I	98.4	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106.3	174.1	-55.4	170	0	0	0	106.4	M835 I837 M926 T930 L991 L993 Q1008 I1009 L1041	M835-I928 HydrophobicContact CG-CG2 4.34Å; I837-I928 HydrophobicContact CG1-CG1 4.37Å; M926-I928 HydrophobicContact CE-CD1 4.11Å; M926-I928 HydrophobicContact CE-CG1 4.41Å; I928-T930 HydrophobicContact CG2-CG2 4.29Å; I928-L991 HydrophobicContact CG2-CD2 4.15Å; I928-L993 HydrophobicContact CD1-CD1 3.84Å; I928-L993 HydrophobicContact CD1-CD2 4.21Å; I928-Q1008 WeakPolarHBondContact O-CA 3.28Å; I928-I1009 HydrophobicContact CB-CG2 3.91Å; I928-I1009 HydrophobicContact CD1-CG2 4.27Å; I928-I1009 PolarHBondContact N-O 3.34Å; I928-I1009 PolarHBondContact O-N 2.78Å; I928-L1041 HydrophobicContact CD1-CD1 3.98Å; I928-L1041 HydrophobicContact CD1-CD2 4.2Å; I928-L1041 HydrophobicContact CG2-CD2 4.39Å
929	Q	98.1	Very high	94.7	Very high	56 Å²	56	34.6 Å²	34.6	26%	0.262	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.5	176.9	178.9	70	58.1	0	0	110.1	K836 V1006 Q1008	K836-Q929 HydrophobicContact CB-CB 4.3Å; K836-Q929 PolarHBondContact N-O 2.87Å; K836-Q929 PolarHBondContact O-N 3.2Å; Q929-V1006 PolarHBondContact NE2-O 2.85Å; Q929-Q1008 VanDerWaalsContact OE1-CB 3.3Å
930	T	98.1	Very high	95.5	Very high	6 Å²	6	35 Å²	35	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	175.6	175.4	72	0	0	0	0	111.9	M833 D834 I928 L932 L991 G1007	M833-T930 HydrophobicContact SD-CG2 4.2Å; D834-T930 WeakPolarHBondContact O-CA 3.35Å; D834-T930 VanDerWaalsContact O-CB 3.25Å; D834-T930 WeakPolarHBondContact O-CB 3.35Å; D834-T930 WeakPolarHBondContact O-CG2 3.41Å; I928-T930 HydrophobicContact CG2-CG2 4.29Å; T930-L932 VanDerWaalsContact C-N 3.35Å; T930-L932 WeakPolarHBondContact OG1-CB 3.27Å; T930-L932 PolarHBondContact OG1-N 3.42Å; T930-L991 HydrophobicContact CG2-CD2 3.75Å; T930-G1007 PolarHBondContact N-O 3.24Å; T930-G1007 PolarHBondContact OG1-O 3.4Å
931	N	95.7	Very high	96.2	Very high	92 Å²	92	29.8 Å²	29.8	49%	0.492	15%	0.15	S	C	.	.	S	Bend	trans	-93.3	12.1	168.9	64.2	-44.5	0	0	0	113	M833 D834	M833-N931 WeakPolarHBondContact CA-OD1 3.45Å; M833-N931 VanDerWaalsContact CG-OD1 3.25Å; M833-N931 WeakPolarHBondContact CG-OD1 3.34Å; D834-N931 HydrophobicContact CB-CB 4.2Å; D834-N931 PolarHBondContact N-OD1 2.79Å
932	L	96.2	Very high	96.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.146	C	C	.	.			trans	-65.8	143.1	171.3	-70.7	173.7	0	0	0	110.6	M833 T930 I972 Q974 Q989 L991 G1007	M833-L932 HydrophobicContact CE-CD1 3.97Å; M833-L932 HydrophobicContact CE-CD2 3.62Å; M833-L932 HydrophobicContact CE-CG 3.76Å; M833-L932 HydrophobicContact SD-CD1 4.19Å; M833-L932 HydrophobicContact SD-CG 4.16Å; T930-L932 VanDerWaalsContact C-N 3.35Å; T930-L932 WeakPolarHBondContact OG1-CB 3.27Å; T930-L932 PolarHBondContact OG1-N 3.42Å; L932-I972 HydrophobicContact CB-CD1 4.47Å; L932-I972 HydrophobicContact CD1-CD1 4.04Å; L932-I972 HydrophobicContact CD1-CG1 3.99Å; L932-Q974 HydrophobicContact CD2-CB 4.09Å; L932-Q989 HydrophobicContact CD2-CB 4.18Å; L932-Q989 HydrophobicContact CD2-CG 3.97Å; L932-L991 HydrophobicContact CD1-CB 3.67Å; L932-G1007 WeakPolarHBondContact O-CA 3.05Å; L932-G1007 PolarHBondContact O-N 2.83Å
933	S	95.8	Very high	96.8	Very high	68 Å²	68	29 Å²	29	48%	0.476	15%	0.146	S	C	.	.			trans	-109.9	79.2	176.5	-162.5	0	0	0	0	110.3	K935	S933-K935 PolarHBondContact O-N 3.03Å
934	N	95.9	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.146	C	C	.	.			trans	-73.9	109	170.4	61.3	-46.7	0	0	0	109.7	D936 R937 V938 E973 S1003 V1006 G1007	N934-D936 PolarHBondContact O-N 3.38Å; N934-R937 WeakPolarHBondContact ND2-CA 3.47Å; N934-R937 PolarHBondContact O-N 3.45Å; N934-V938 WeakPolarHBondContact CB-O 3.16Å; N934-V938 PolarHBondContact ND2-O 2.89Å; N934-E973 WeakPolarHBondContact CA-O 3.19Å; N934-E973 WeakPolarHBondContact CB-O 2.98Å; N934-S1003 PolarHBondContact ND2-OG 2.82Å; N934-V1006 WeakPolarHBondContact OD1-CA 3.26Å; N934-G1007 PolarHBondContact OD1-N 2.99Å
935	K	92.1	Very high	97	Very high	160 Å²	160	29.3 Å²	29.3	70%	0.696	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-53.4	137.3	-177.1	-175.2	-177.7	173.5	-176.6	0	110.9	S933 R937 V938	S933-K935 PolarHBondContact O-N 3.03Å; K935-R937 PolarHBondContact O-N 3.4Å; K935-V938 WeakPolarHBondContact O-CB 3.47Å; K935-V938 WeakPolarHBondContact O-CG2 3.39Å; K935-V938 PolarHBondContact O-N 3.41Å
936	D	94.7	Very high	97	Very high	94 Å²	94	29.3 Å²	29.3	50%	0.503	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	53.6	22.5	178.3	-55.1	-40.7	0	0	0	114.5	N934 V938 Q952	N934-D936 PolarHBondContact O-N 3.38Å; D936-V938 HydrophobicContact CB-CG2 4.4Å; D936-V938 PolarHBondContact O-N 2.88Å; D936-Q952 WeakPolarHBondContact O-CG 3.42Å
937	R	97.2	Very high	96.8	Very high	55 Å²	55	29.6 Å²	29.6	21%	0.208	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	55	38.4	-172.4	-56.1	172.5	-62.5	-122.7	-5.4	112.6	N934 K935 F939 Y953 D955 P1004 V1006	N934-R937 WeakPolarHBondContact ND2-CA 3.47Å; N934-R937 PolarHBondContact O-N 3.45Å; K935-R937 PolarHBondContact O-N 3.4Å; R937-F939 WeakPolarHBondContact O-CD1 3.37Å; R937-Y953 PolarHBondContact NH2-O 3.45Å; R937-Y953 PolarHBondContact O-N 2.89Å; R937-D955 IonicContact CZ-OD1 3.45Å; R937-D955 IonicContact CZ-OD2 3.62Å; R937-D955 IonicContact NH1-OD1 3.44Å; R937-D955 PolarHBondContact NH1-OD1 3.11Å; R937-D955 IonicContact NH1-OD2 2.67Å; R937-D955 PolarHBondContact NH1-OD2 3.28Å; R937-D955 IonicContact NH2-OD1 3.39Å; R937-D955 PolarHBondContact NH2-OD1 3.39Å; R937-D955 IonicContact NH2-OD2 3.25Å; R937-D955 PolarHBondContact NH2-OD2 3.25Å; R937-P1004 WeakPolarHBondContact CD-O 3.34Å; R937-V1006 HydrophobicContact CG-CG2 3.94Å
938	V	97.6	Very high	96.6	Very high	22 Å²	22	30 Å²	30	13%	0.133	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.4	173.3	171.3	0	0	0	0	110.3	N934 K935 D936 Y940 Q950 R951 Q952	N934-V938 WeakPolarHBondContact CB-O 3.16Å; N934-V938 PolarHBondContact ND2-O 2.89Å; K935-V938 WeakPolarHBondContact O-CB 3.47Å; K935-V938 WeakPolarHBondContact O-CG2 3.39Å; K935-V938 PolarHBondContact O-N 3.41Å; D936-V938 HydrophobicContact CB-CG2 4.4Å; D936-V938 PolarHBondContact O-N 2.88Å; V938-Y940 HydrophobicContact CG1-CE2 4.01Å; V938-Q950 HydrophobicContact CG1-CG 3.6Å; V938-R951 WeakPolarHBondContact CA-O 3.45Å; V938-Q952 HydrophobicContact CG2-CB 4.4Å; V938-Q952 HydrophobicContact CG2-CG 4.32Å
939	F	98.2	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	172.3	176.1	64.7	-74.5	0	0	0	109.3	R937 T941 R951 Y964 I972 V1001 S1003	R937-F939 WeakPolarHBondContact O-CD1 3.37Å; F939-T941 HydrophobicContact CD2-CG2 3.99Å; F939-T941 HydrophobicContact CE2-CG2 3.79Å; F939-R951 HydrophobicContact CD1-CB 3.85Å; F939-R951 HydrophobicContact CD2-CB 4Å; F939-R951 HydrophobicContact CD2-CG 4.34Å; F939-R951 HydrophobicContact CE1-CB 3.57Å; F939-R951 HydrophobicContact CE2-CB 3.74Å; F939-R951 HydrophobicContact CE2-CG 3.98Å; F939-R951 HydrophobicContact CG-CB 4.07Å; F939-R951 HydrophobicContact CZ-CB 3.53Å; F939-R951 HydrophobicContact CZ-CG 4.17Å; F939-R951 PolarHBondContact N-O 2.87Å; F939-R951 WeakPolarHBondContact O-CA 3.49Å; F939-R951 PolarHBondContact O-N 2.99Å; F939-R951 VanDerWaalsContact O-O 3.12Å; F939-Y964 HydrophobicContact CE2-CD2 4.1Å; F939-Y964 AromaticContact CZ-CD2 3.56Å; F939-Y964 HydrophobicContact CZ-CD2 3.56Å; F939-Y964 AromaticContact CZ-CE2 3.89Å; F939-Y964 HydrophobicContact CZ-CE2 3.89Å; F939-I972 HydrophobicContact CB-CG2 3.71Å; F939-V1001 HydrophobicContact CE2-CG2 4.37Å; F939-S1003 VanDerWaalsContact CD1-CB 3.46Å
940	Y	97.9	Very high	96.2	Very high	29 Å²	29	31.3 Å²	31.3	11%	0.114	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133	-173.7	-59.3	-96	0	0	0	110	V938 T949 Q950 A970 Y971 E973 P1055	V938-Y940 HydrophobicContact CG1-CE2 4.01Å; Y940-T949 WeakPolarHBondContact CA-O 3.48Å; Y940-Q950 HydrophobicContact CD1-CB 3.89Å; Y940-Q950 HydrophobicContact CD1-CG 4.25Å; Y940-Q950 HydrophobicContact CE1-CB 3.62Å; Y940-Q950 HydrophobicContact CE1-CG 3.71Å; Y940-A970 CarbonylContact O-C 3.48Å; Y940-A970 WeakPolarHBondContact O-CA 3.2Å; Y940-A970 WeakPolarHBondContact O-CB 3.11Å; Y940-Y971 HydrophobicContact CD1-CE2 4.1Å; Y940-Y971 AromaticContact CD1-CZ 3.95Å; Y940-Y971 AromaticContact CD2-CD2 3.51Å; Y940-Y971 HydrophobicContact CD2-CD2 3.51Å; Y940-Y971 AromaticContact CD2-CE2 3.07Å; Y940-Y971 HydrophobicContact CD2-CE2 3.07Å; Y940-Y971 HydrophobicContact CD2-CG 4.47Å; Y940-Y971 AromaticContact CD2-CZ 3.74Å; Y940-Y971 HydrophobicContact CE2-CD2 4.35Å; Y940-Y971 AromaticContact CE2-CE2 3.74Å; Y940-Y971 HydrophobicContact CE2-CE2 3.74Å; Y940-Y971 AromaticContact CG-CD2 3.95Å; Y940-Y971 HydrophobicContact CG-CD2 3.95Å; Y940-Y971 HydrophobicContact CG-CE1 4.15Å; Y940-Y971 AromaticContact CG-CE2 3.29Å; Y940-Y971 HydrophobicContact CG-CE2 3.29Å; Y940-Y971 AromaticContact CG-CZ 3.4Å; Y940-Y971 VanDerWaalsContact CG-CZ 3.4Å; Y940-Y971 PolarHBondContact N-O 3.19Å; Y940-Y971 PolarHBondContact O-N 3.38Å; Y940-E973 HydrophobicContact CE2-CG 3.89Å; Y940-P1055 HydrophobicContact CD1-CB 3.59Å; Y940-P1055 HydrophobicContact CD1-CG 3.77Å; Y940-P1055 HydrophobicContact CE1-CB 3.87Å; Y940-P1055 HydrophobicContact CE1-CG 3.73Å
941	T	98.3	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	177.3	63.1	0	0	0	0	109.5	F939 F948 T949 R951 I966 A970 V1001	F939-T941 HydrophobicContact CD2-CG2 3.99Å; F939-T941 HydrophobicContact CE2-CG2 3.79Å; T941-F948 CarbonylContact O-C 3.51Å; T941-F948 WeakPolarHBondContact O-CA 3.49Å; T941-T949 PolarHBondContact N-O 3.49Å; T941-T949 PolarHBondContact O-N 2.97Å; T941-R951 HydrophobicContact CG2-CG 3.88Å; T941-R951 PolarHBondContact OG1-NE 2.86Å; T941-R951 PolarHBondContact OG1-NH2 3.47Å; T941-I966 HydrophobicContact CG2-CG2 3.86Å; T941-A970 HydrophobicContact CG2-CB 4.36Å; T941-V1001 HydrophobicContact CG2-CG2 3.54Å
942	D	97.9	Very high	96.2	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	155.3	172.3	78.6	-92.5	0	0	0	112.5	N944 C945 Q947 F948 I966 A967 C968 G969	D942-N944 PolarHBondContact OD2-N 2.96Å; D942-C945 WeakPolarHBondContact OD2-CA 3.48Å; D942-C945 PolarHBondContact OD2-N 3.49Å; D942-Q947 CarbonylContact C-O 3.59Å; D942-Q947 VanDerWaalsContact CA-O 3.29Å; D942-Q947 WeakPolarHBondContact CA-O 3.4Å; D942-F948 HydrophobicContact CB-CD1 4.32Å; D942-F948 HydrophobicContact CB-CE1 4.02Å; D942-F948 HydrophobicContact CB-CE2 4.3Å; D942-F948 HydrophobicContact CB-CZ 4Å; D942-I966 WeakPolarHBondContact OD1-CA 3.49Å; D942-I966 WeakPolarHBondContact OD1-CB 3.14Å; D942-A967 PolarHBondContact OD1-N 3.35Å; D942-A967 VanDerWaalsContact OD2-CB 3.3Å; D942-A967 WeakPolarHBondContact OD2-CB 3.44Å; D942-A967 PolarHBondContact OD2-N 2.78Å; D942-A967 VanDerWaalsContact OD2-N 3.13Å; D942-C968 PolarHBondContact OD1-N 3Å; D942-G969 PolarHBondContact N-O 3.25Å; D942-G969 VanDerWaalsContact N-O 3.08Å; D942-G969 PolarHBondContact OD1-N 3.47Å; D942-G969 VanDerWaalsContact OD1-O 3.05Å
943	S	97.1	Very high	96.2	Very high	5 Å²	5	30.7 Å²	30.7	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	101.7	166	-174.3	0	0	0	0	107.4	S289 T290 C945 F946 Q947	S289-S943 PolarHBondContact N-OG 3.21Å; S289-S943 PolarHBondContact OG-OG 3.01Å; T290-S943 PolarHBondContact N-OG 3.18Å; T290-S943 WeakPolarHBondContact OG1-CB 3.4Å; T290-S943 PolarHBondContact OG1-O 3.35Å; T290-S943 PolarHBondContact OG1-OG 3.15Å; S943-C945 PolarHBondContact O-N 3Å; S943-F946 PolarHBondContact O-N 2.99Å; S943-Q947 PolarHBondContact N-O 2.93Å
944	N	98.1	Very high	96.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.011	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	30.6	179.7	-44.9	88.4	0	0	0	113.9	E249 T252 Y254 I257 S288 T290 D942 F946	E249-N944 PolarHBondContact O-ND2 2.69Å; T252-N944 WeakPolarHBondContact O-CA 3.28Å; T252-N944 WeakPolarHBondContact O-CB 3.35Å; T252-N944 PolarHBondContact O-ND2 2.86Å; T252-N944 PolarHBondContact OG1-ND2 3.15Å; Y254-N944 WeakPolarHBondContact CD1-O 3.35Å; Y254-N944 PolarHBondContact N-O 3.4Å; I257-N944 HydrophobicContact CD1-CB 4.34Å; S288-N944 WeakPolarHBondContact CB-OD1 2.88Å; S288-N944 PolarHBondContact OG-OD1 3.41Å; T290-N944 WeakPolarHBondContact CB-OD1 3.4Å; T290-N944 HydrophobicContact CG2-CB 4.21Å; D942-N944 PolarHBondContact OD2-N 2.96Å; N944-F946 PolarHBondContact O-N 3.34Å
945	C	97.1	Very high	96.2	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.054	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	11.7	-174.7	-48.2	0	0	0	0	115.7	H253 Y254 D942 S943 A967 C968	H253-C945 WeakPolarHBondContact CD2-CB 3.34Å; H253-C945 PolarHBondContact CD2-SG 3.13Å; Y254-C945 HydrophobicContact CD1-CB 4.25Å; Y254-C945 HydrophobicContact CE1-CB 4.42Å; D942-C945 WeakPolarHBondContact OD2-CA 3.48Å; D942-C945 PolarHBondContact OD2-N 3.49Å; S943-C945 PolarHBondContact O-N 3Å; C945-A967 WeakPolarHBondContact SG-CB 3.34Å; C945-A967 PolarHBondContact SG-O 3.49Å; C945-C968 HydrophobicContact CB-CB 3.76Å; C945-C968 WeakPolarHBondContact CB-SG 3.42Å; C945-C968 WeakPolarHBondContact SG-CB 3.38Å; C945-C968 PolarHBondContact SG-N 2.9Å; C945-C968 VanDerWaalsContact SG-N 3.42Å; C945-C968 CovalentContact SG-SG 2.01Å; C945-C968 PolarHBondContact SG-SG 3.08Å
946	F	96.2	Very high	96.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-41.3	-175.9	-173.2	-97.5	0	0	0	113.3	Y254 T290 Y293 W330 S943 N944 R1132 M1210 I1212	Y254-F946 HydrophobicContact CD1-CB 4.04Å; Y254-F946 HydrophobicContact CD1-CD2 4.23Å; Y254-F946 HydrophobicContact CD2-CD2 4.23Å; Y254-F946 HydrophobicContact CG-CB 4.25Å; Y254-F946 HydrophobicContact CG-CD2 4.05Å; T290-F946 HydrophobicContact CG2-CB 3.61Å; T290-F946 HydrophobicContact CG2-CD1 4.12Å; T290-F946 HydrophobicContact CG2-CG 3.95Å; Y293-F946 HydrophobicContact CD1-CD1 4.38Å; Y293-F946 AromaticContact CD1-CE1 3.69Å; Y293-F946 HydrophobicContact CD1-CE1 3.69Å; Y293-F946 AromaticContact CD1-CZ 3.86Å; Y293-F946 HydrophobicContact CD1-CZ 3.86Å; Y293-F946 AromaticContact CE1-CE1 3.6Å; Y293-F946 HydrophobicContact CE1-CE1 3.6Å; Y293-F946 HydrophobicContact CE1-CE2 4.09Å; Y293-F946 AromaticContact CE1-CZ 3.3Å; Y293-F946 HydrophobicContact CE1-CZ 3.3Å; W330-F946 HydrophobicContact CZ2-CE1 4.07Å; S943-F946 PolarHBondContact O-N 2.99Å; N944-F946 PolarHBondContact O-N 3.34Å; F946-R1132 HydrophobicContact CE2-CG 4.33Å; F946-R1132 PolarHBondContact O-NH2 3.17Å; F946-M1210 VanDerWaalsContact CZ-O 3.22Å; F946-M1210 WeakPolarHBondContact CZ-O 3.45Å; F946-I1212 HydrophobicContact CE2-CB 4.22Å; F946-I1212 HydrophobicContact CE2-CG2 4.3Å
947	Q	93.3	Very high	96.4	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.3	179	62.5	-169.9	-41.9	0	0	110	S289 T290 W330 D942 S943 M1210	S289-Q947 PolarHBondContact OG-NE2 3.43Å; T290-Q947 PolarHBondContact OG1-NE2 3.42Å; W330-Q947 VanDerWaalsContact CD1-OE1 3.3Å; D942-Q947 CarbonylContact C-O 3.59Å; D942-Q947 VanDerWaalsContact CA-O 3.29Å; D942-Q947 WeakPolarHBondContact CA-O 3.4Å; S943-Q947 PolarHBondContact N-O 2.93Å; Q947-M1210 HydrophobicContact CB-CE 4.02Å
948	F	94.9	Very high	96.3	Very high	16 Å²	16	25.4 Å²	25.4	7%	0.07	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.3	176.8	-78.4	-100.9	0	0	0	110.7	T941 D942 Y971 F994 P1055 L1057	T941-F948 CarbonylContact O-C 3.51Å; T941-F948 WeakPolarHBondContact O-CA 3.49Å; D942-F948 HydrophobicContact CB-CD1 4.32Å; D942-F948 HydrophobicContact CB-CE1 4.02Å; D942-F948 HydrophobicContact CB-CE2 4.3Å; D942-F948 HydrophobicContact CB-CZ 4Å; F948-Y971 HydrophobicContact CB-CE1 4.14Å; F948-Y971 AromaticContact CD1-CD1 3.75Å; F948-Y971 HydrophobicContact CD1-CD1 3.75Å; F948-Y971 AromaticContact CD1-CE1 3.41Å; F948-Y971 HydrophobicContact CD1-CE1 3.41Å; F948-Y971 VanDerWaalsContact CD1-CE1 3.41Å; F948-Y971 HydrophobicContact CD2-CE1 4.49Å; F948-Y971 AromaticContact CE1-CD1 3.79Å; F948-Y971 HydrophobicContact CE1-CD1 3.79Å; F948-Y971 AromaticContact CE1-CE1 3.89Å; F948-Y971 HydrophobicContact CE1-CE1 3.89Å; F948-Y971 HydrophobicContact CG-CD1 4.49Å; F948-Y971 AromaticContact CG-CE1 3.76Å; F948-Y971 HydrophobicContact CG-CE1 3.76Å; F948-F994 HydrophobicContact CZ-CE1 4.48Å; F948-P1055 HydrophobicContact CB-CB 3.87Å; F948-L1057 HydrophobicContact CD2-CD2 4.31Å; F948-L1057 HydrophobicContact CD2-CG 4.06Å; F948-L1057 HydrophobicContact CE1-CD2 4.37Å; F948-L1057 HydrophobicContact CE2-CD1 3.52Å; F948-L1057 HydrophobicContact CE2-CD2 3.74Å; F948-L1057 HydrophobicContact CE2-CG 3.45Å; F948-L1057 VanDerWaalsContact CE2-CG 3.45Å; F948-L1057 HydrophobicContact CZ-CD1 3.85Å; F948-L1057 HydrophobicContact CZ-CD2 3.76Å; F948-L1057 HydrophobicContact CZ-CG 3.94Å
949	T	93.6	Very high	96.2	Very high	14 Å²	14	25.6 Å²	25.6	9%	0.086	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.2	178.5	-58.4	0	0	0	0	109.1	Y940 T941	Y940-T949 WeakPolarHBondContact CA-O 3.48Å; T941-T949 PolarHBondContact N-O 3.49Å; T941-T949 PolarHBondContact O-N 2.97Å
950	Q	94.7	Very high	96.1	Very high	70 Å²	70	26.3 Å²	26.3	33%	0.327	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.6	172.3	-174.3	-175.4	-44.6	0	0	110.5	N126 V938 Y940	N126-Q950 PolarHBondContact ND2-O 3.13Å; V938-Q950 HydrophobicContact CG1-CG 3.6Å; Y940-Q950 HydrophobicContact CD1-CB 3.89Å; Y940-Q950 HydrophobicContact CD1-CG 4.25Å; Y940-Q950 HydrophobicContact CE1-CB 3.62Å; Y940-Q950 HydrophobicContact CE1-CG 3.71Å
951	R	96.6	Very high	96.1	Very high	8 Å²	8	25 Å²	25	3%	0.03	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.1	175.3	-52.9	-54.9	-174.3	-178.1	-0.8	110.4	D485 V938 F939 T941 Y964	D485-R951 VanDerWaalsContact CG-NH1 3.35Å; D485-R951 IonicContact OD1-CZ 2.78Å; D485-R951 IonicContact OD1-NH1 3.99Å; D485-R951 PolarHBondContact OD1-NH1 3.25Å; D485-R951 IonicContact OD1-NH2 2.92Å; D485-R951 IonicContact OD2-CZ 2.8Å; D485-R951 VanDerWaalsContact OD2-CZ 3.31Å; D485-R951 IonicContact OD2-NH1 3.65Å; D485-R951 PolarHBondContact OD2-NH1 3.27Å; D485-R951 IonicContact OD2-NH2 3.56Å; D485-R951 PolarHBondContact OD2-NH2 3.26Å; V938-R951 WeakPolarHBondContact CA-O 3.45Å; F939-R951 HydrophobicContact CD1-CB 3.85Å; F939-R951 HydrophobicContact CD2-CB 4Å; F939-R951 HydrophobicContact CD2-CG 4.34Å; F939-R951 HydrophobicContact CE1-CB 3.57Å; F939-R951 HydrophobicContact CE2-CB 3.74Å; F939-R951 HydrophobicContact CE2-CG 3.98Å; F939-R951 HydrophobicContact CG-CB 4.07Å; F939-R951 HydrophobicContact CZ-CB 3.53Å; F939-R951 HydrophobicContact CZ-CG 4.17Å; F939-R951 PolarHBondContact N-O 2.87Å; F939-R951 WeakPolarHBondContact O-CA 3.49Å; F939-R951 PolarHBondContact O-N 2.99Å; F939-R951 VanDerWaalsContact O-O 3.12Å; T941-R951 HydrophobicContact CG2-CG 3.88Å; T941-R951 PolarHBondContact OG1-NE 2.86Å; T941-R951 PolarHBondContact OG1-NH2 3.47Å; R951-Y964 HydrophobicContact CB-CD2 4.19Å; R951-Y964 HydrophobicContact CB-CE2 4.08Å; R951-Y964 HydrophobicContact CG-CD1 4.28Å; R951-Y964 HydrophobicContact CG-CD2 4.06Å; R951-Y964 HydrophobicContact CG-CE2 4.32Å; R951-Y964 HydrophobicContact CG-CG 4.01Å
952	Q	95.9	Very high	96.1	Very high	46 Å²	46	25 Å²	25	22%	0.215	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.4	175.1	-177	178.8	-2.9	0	0	109.2	D936 V938 H954	D936-Q952 WeakPolarHBondContact O-CG 3.42Å; V938-Q952 HydrophobicContact CG2-CB 4.4Å; V938-Q952 HydrophobicContact CG2-CG 4.32Å; Q952-H954 PolarHBondContact O-CD2 2.89Å; Q952-H954 VanDerWaalsContact O-CD2 3.24Å; Q952-H954 PolarHBondContact O-N 3.25Å
953	Y	97.6	Very high	96.1	Very high	34 Å²	34	24.8 Å²	24.8	13%	0.133	12%	0.123	C	C	.	.			trans	-78.3	119.1	171	-171.7	-78.1	0	0	0	110.8	R937 L959 N962 V1002 S1003 P1004	R937-Y953 PolarHBondContact NH2-O 3.45Å; R937-Y953 PolarHBondContact O-N 2.89Å; Y953-L959 HydrophobicContact CE2-CD1 4.26Å; Y953-N962 WeakPolarHBondContact CA-OD1 3.26Å; Y953-N962 HydrophobicContact CD2-CB 3.52Å; Y953-N962 HydrophobicContact CE2-CB 3.56Å; Y953-N962 HydrophobicContact CG-CB 4.36Å; Y953-V1002 HydrophobicContact CD2-CG2 3.76Å; Y953-V1002 HydrophobicContact CE2-CG2 3.95Å; Y953-S1003 WeakPolarHBondContact CB-O 3.35Å; Y953-P1004 HydrophobicContact CD2-CB 4.26Å; Y953-P1004 HydrophobicContact CE2-CB 3.93Å
954	H	96.5	Very high	96.1	Very high	17 Å²	17	24.8 Å²	24.8	8%	0.079	12%	0.123	C	C	.	.			trans	-103.5	122.3	179.1	-60.3	-73.9	0	0	0	110.9	N130 Q952 K956 I957 N962	N130-H954 PolarHBondContact OD1-CE1 2.97Å; Q952-H954 PolarHBondContact O-CD2 2.89Å; Q952-H954 VanDerWaalsContact O-CD2 3.24Å; Q952-H954 PolarHBondContact O-N 3.25Å; H954-K956 HydrophobicContact CB-CG 4.1Å; H954-K956 PolarHBondContact O-N 3.27Å; H954-I957 HydrophobicContact CB-CD1 3.98Å; H954-I957 HydrophobicContact CB-CG1 3.98Å; H954-I957 PolarHBondContact O-N 3.42Å; H954-I957 VanDerWaalsContact O-O 3.06Å; H954-N962 PolarHBondContact N-OD1 2.99Å; H954-N962 PolarHBondContact O-ND2 3.35Å; H954-N962 VanDerWaalsContact O-ND2 3.07Å
955	D	95.4	Very high	96.2	Very high	118 Å²	118	24.9 Å²	24.9	63%	0.631	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.9	178.3	-61.5	-52.6	0	0	0	113.1	R937 I957	R937-D955 IonicContact CZ-OD1 3.45Å; R937-D955 IonicContact CZ-OD2 3.62Å; R937-D955 IonicContact NH1-OD1 3.44Å; R937-D955 PolarHBondContact NH1-OD1 3.11Å; R937-D955 IonicContact NH1-OD2 2.67Å; R937-D955 PolarHBondContact NH1-OD2 3.28Å; R937-D955 IonicContact NH2-OD1 3.39Å; R937-D955 PolarHBondContact NH2-OD1 3.39Å; R937-D955 IonicContact NH2-OD2 3.25Å; R937-D955 PolarHBondContact NH2-OD2 3.25Å; D955-I957 VanDerWaalsContact C-N 3.34Å
956	K	94.8	Very high	96.2	Very high	88 Å²	88	24.5 Å²	24.5	38%	0.383	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.6	177.9	63	178.4	177.9	-178.9	0	114.1	Y129 N130 L132 H954	Y129-K956 WeakPolarHBondContact O-CE 3.46Å; Y129-K956 PolarHBondContact O-NZ 3.04Å; N130-K956 PolarHBondContact O-NZ 2.95Å; L132-K956 WeakPolarHBondContact O-CE 3.46Å; L132-K956 PolarHBondContact O-NZ 3.2Å; H954-K956 HydrophobicContact CB-CG 4.1Å; H954-K956 PolarHBondContact O-N 3.27Å
957	I	95	Very high	96.3	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	12%	0.12	C	C	.	.	S	Bend	trans	-113.4	145.8	174.3	71	-168	0	0	0	108.9	F134 H954 D955 N962	F134-I957 HydrophobicContact CB-CG2 3.8Å; F134-I957 HydrophobicContact CD1-CG2 4.5Å; F134-I957 HydrophobicContact CD2-CG2 3.4Å; F134-I957 VanDerWaalsContact CD2-CG2 3.4Å; F134-I957 HydrophobicContact CE2-CG2 4.06Å; F134-I957 HydrophobicContact CG-CG2 3.66Å; H954-I957 HydrophobicContact CB-CD1 3.98Å; H954-I957 HydrophobicContact CB-CG1 3.98Å; H954-I957 PolarHBondContact O-N 3.42Å; H954-I957 VanDerWaalsContact O-O 3.06Å; D955-I957 VanDerWaalsContact C-N 3.34Å; I957-N962 WeakPolarHBondContact CG1-ND2 3.11Å; I957-N962 PolarHBondContact O-ND2 3.36Å
958	P	95.3	Very high	96.6	Very high	39 Å²	39	24.1 Å²	24.1	25%	0.253	12%	0.119	S	C	.	.			trans	-70.2	170.8	-178	30.4	-35.6	0	0	0	112	H494 Y496 Q960 G961 N962	H494-P958 HydrophobicContact CB-CG 3.77Å; Y496-P958 HydrophobicContact CD2-CG 4.37Å; Y496-P958 HydrophobicContact CE2-CG 3.89Å; P958-Q960 VanDerWaalsContact C-N 3.28Å; P958-Q960 HydrophobicContact CG-CG 4.46Å; P958-Q960 PolarHBondContact O-N 2.81Å; P958-G961 PolarHBondContact O-N 2.77Å; P958-N962 PolarHBondContact O-N 2.9Å; P958-N962 PolarHBondContact O-ND2 3.26Å
959	L	96.7	Very high	96.7	Very high	26 Å²	26	23.4 Å²	23.4	14%	0.136	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-51.8	-45.6	-173.4	175.2	60.4	0	0	0	112.5	Y842 F856 P858 Y953 G961 N962 V963 V1002	Y842-L959 HydrophobicContact CD1-CD2 4.22Å; Y842-L959 HydrophobicContact CE1-CD2 3.41Å; Y842-L959 VanDerWaalsContact CE1-CD2 3.41Å; Y842-L959 HydrophobicContact CE2-CD2 4.36Å; F856-L959 HydrophobicContact CE1-CD2 4.3Å; F856-L959 HydrophobicContact CE1-CG 4.26Å; F856-L959 HydrophobicContact CZ-CD2 4.32Å; P858-L959 HydrophobicContact CG-CB 4.4Å; P858-L959 HydrophobicContact CG-CD2 4.14Å; Y953-L959 HydrophobicContact CE2-CD1 4.26Å; L959-G961 PolarHBondContact O-N 3.14Å; L959-N962 CarbonylContact O-C 3.53Å; L959-N962 WeakPolarHBondContact O-CA 3.44Å; L959-N962 WeakPolarHBondContact O-CB 3.5Å; L959-N962 PolarHBondContact O-N 2.96Å; L959-V963 PolarHBondContact O-N 3.13Å; L959-V1002 HydrophobicContact CD1-CG1 4.26Å; L959-V1002 HydrophobicContact CD1-CG2 4.14Å
960	Q	96.1	Very high	96.9	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.07	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-63.1	-27.5	-178.5	67.3	-88.1	24.6	0	0	113.8	H494 Y496 S498 F856 P958 N962	H494-Q960 PolarHBondContact O-NE2 3.36Å; Y496-Q960 HydrophobicContact CD2-CG 3.57Å; Y496-Q960 HydrophobicContact CG-CG 4.05Å; S498-Q960 PolarHBondContact OG-O 3.39Å; F856-Q960 HydrophobicContact CB-CB 4.25Å; F856-Q960 HydrophobicContact CD1-CB 3.6Å; F856-Q960 HydrophobicContact CE1-CB 4.29Å; F856-Q960 HydrophobicContact CG-CB 4.21Å; F856-Q960 WeakPolarHBondContact O-CB 3.39Å; F856-Q960 WeakPolarHBondContact O-CG 3.37Å; P958-Q960 VanDerWaalsContact C-N 3.28Å; P958-Q960 HydrophobicContact CG-CG 4.46Å; P958-Q960 PolarHBondContact O-N 2.81Å; Q960-N962 VanDerWaalsContact C-N 3.29Å
961	G	96.8	Very high	97.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-77.7	-15.2	173.5	0	0	0	0	0	113.8	Y496 P958 L959	Y496-G961 VanDerWaalsContact CD1-CA 3.42Å; P958-G961 PolarHBondContact O-N 2.77Å; L959-G961 PolarHBondContact O-N 3.14Å
962	N	97.7	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-98.8	-2.1	175.8	-72.9	-73.2	0	0	0	113.3	Y953 H954 I957 P958 L959 Q960 Y964 V1002	Y953-N962 WeakPolarHBondContact CA-OD1 3.26Å; Y953-N962 HydrophobicContact CD2-CB 3.52Å; Y953-N962 HydrophobicContact CE2-CB 3.56Å; Y953-N962 HydrophobicContact CG-CB 4.36Å; H954-N962 PolarHBondContact N-OD1 2.99Å; H954-N962 PolarHBondContact O-ND2 3.35Å; H954-N962 VanDerWaalsContact O-ND2 3.07Å; I957-N962 WeakPolarHBondContact CG1-ND2 3.11Å; I957-N962 PolarHBondContact O-ND2 3.36Å; P958-N962 PolarHBondContact O-N 2.9Å; P958-N962 PolarHBondContact O-ND2 3.26Å; L959-N962 CarbonylContact O-C 3.53Å; L959-N962 WeakPolarHBondContact O-CA 3.44Å; L959-N962 WeakPolarHBondContact O-CB 3.5Å; L959-N962 PolarHBondContact O-N 2.96Å; Q960-N962 VanDerWaalsContact C-N 3.29Å; N962-Y964 WeakPolarHBondContact O-CD2 3.32Å; N962-Y964 VanDerWaalsContact O-CE2 3.32Å; N962-Y964 WeakPolarHBondContact O-CE2 3.46Å; N962-V1002 HydrophobicContact CB-CG2 4.05Å; N962-V1002 VanDerWaalsContact O-CG2 3.29Å; N962-V1002 WeakPolarHBondContact O-CG2 3.46Å
963	V	98.3	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.			trans	-84	126.9	172	-177.9	0	0	0	0	108.2	T488 Y501 F856 L959 V1001 V1002 W1012	T488-V963 PolarHBondContact OG1-O 3.06Å; Y501-V963 HydrophobicContact CD2-CG1 4.03Å; Y501-V963 HydrophobicContact CE2-CG1 4.45Å; F856-V963 HydrophobicContact CD1-CG2 4.16Å; F856-V963 HydrophobicContact CE1-CG2 3.99Å; L959-V963 PolarHBondContact O-N 3.13Å; V963-V1001 WeakPolarHBondContact CA-O 3.5Å; V963-V1002 HydrophobicContact CG2-CB 4.24Å; V963-V1002 HydrophobicContact CG2-CG1 4.31Å; V963-W1012 HydrophobicContact CG1-CE3 4.17Å; V963-W1012 HydrophobicContact CG1-CZ3 4.18Å
964	Y	98.6	Very high	97	Very high	6 Å²	6	18.9 Å²	18.9	2%	0.024	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	150.9	179.7	-65.7	-88.9	0	0	0	110.7	F487 F939 R951 N962 G1000 V1001	F487-Y964 HydrophobicContact CB-CD1 4.43Å; F487-Y964 WeakPolarHBondContact O-CE1 3.18Å; F939-Y964 HydrophobicContact CE2-CD2 4.1Å; F939-Y964 AromaticContact CZ-CD2 3.56Å; F939-Y964 HydrophobicContact CZ-CD2 3.56Å; F939-Y964 AromaticContact CZ-CE2 3.89Å; F939-Y964 HydrophobicContact CZ-CE2 3.89Å; R951-Y964 HydrophobicContact CB-CD2 4.19Å; R951-Y964 HydrophobicContact CB-CE2 4.08Å; R951-Y964 HydrophobicContact CG-CD1 4.28Å; R951-Y964 HydrophobicContact CG-CD2 4.06Å; R951-Y964 HydrophobicContact CG-CE2 4.32Å; R951-Y964 HydrophobicContact CG-CG 4.01Å; N962-Y964 WeakPolarHBondContact O-CD2 3.32Å; N962-Y964 VanDerWaalsContact O-CE2 3.32Å; N962-Y964 WeakPolarHBondContact O-CE2 3.46Å; Y964-G1000 WeakPolarHBondContact O-CA 3.4Å; Y964-V1001 PolarHBondContact N-O 2.86Å; Y964-V1001 PolarHBondContact O-N 2.79Å
965	P	98.5	Very high	96.7	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	148.4	177.5	31.3	-31.9	0	0	0	110.8	A250 F487 Y501	A250-P965 HydrophobicContact CB-CB 3.85Å; A250-P965 HydrophobicContact CB-CG 3.93Å; F487-P965 HydrophobicContact CD1-CG 4.38Å; F487-P965 HydrophobicContact CD2-CG 4.14Å; F487-P965 HydrophobicContact CE2-CG 4.42Å; F487-P965 HydrophobicContact CG-CG 4.12Å; Y501-P965 HydrophobicContact CD1-CB 3.88Å; Y501-P965 HydrophobicContact CD2-CB 4.22Å; Y501-P965 HydrophobicContact CE1-CB 3.82Å; Y501-P965 HydrophobicContact CE1-CG 4.06Å; Y501-P965 HydrophobicContact CE2-CB 4.16Å; Y501-P965 HydrophobicContact CE2-CG 4.3Å; Y501-P965 HydrophobicContact CG-CB 4.1Å
966	I	98.5	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.3	163.2	49.7	161.2	0	0	0	108.3	T941 D942 G969 A970 T995 P998 T999 V1001 V1011	T941-I966 HydrophobicContact CG2-CG2 3.86Å; D942-I966 WeakPolarHBondContact OD1-CA 3.49Å; D942-I966 WeakPolarHBondContact OD1-CB 3.14Å; I966-G969 VanDerWaalsContact CG2-O 3.28Å; I966-G969 WeakPolarHBondContact CG2-O 3.48Å; I966-A970 HydrophobicContact CG2-CB 3.99Å; I966-T995 HydrophobicContact CD1-CG2 3.72Å; I966-P998 CarbonylContact O-C 3.59Å; I966-P998 WeakPolarHBondContact O-CA 3.38Å; I966-T999 HydrophobicContact CD1-CG2 3.73Å; I966-T999 HydrophobicContact CG1-CG2 3.83Å; I966-T999 WeakPolarHBondContact CG1-O 3.36Å; I966-T999 PolarHBondContact N-O 3.37Å; I966-T999 PolarHBondContact O-N 2.77Å; I966-V1001 HydrophobicContact CD1-CG1 3.41Å; I966-V1001 VanDerWaalsContact CD1-CG1 3.41Å; I966-V1001 HydrophobicContact CG1-CG1 3.81Å; I966-V1001 HydrophobicContact CG1-CG2 4.37Å; I966-V1001 HydrophobicContact CG2-CG1 4.31Å; I966-V1001 HydrophobicContact CG2-CG2 3.52Å; I966-V1011 HydrophobicContact CD1-CG2 4.46Å
967	A	98.2	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-89	-22.7	173.4	0	0	0	0	0	112	T252 R512 D942 C945	T252-A967 WeakPolarHBondContact O-CB 3.23Å; R512-A967 PolarHBondContact NH2-O 2.67Å; R512-A967 VanDerWaalsContact NH2-O 3.15Å; D942-A967 PolarHBondContact OD1-N 3.35Å; D942-A967 VanDerWaalsContact OD2-CB 3.3Å; D942-A967 WeakPolarHBondContact OD2-CB 3.44Å; D942-A967 PolarHBondContact OD2-N 2.78Å; D942-A967 VanDerWaalsContact OD2-N 3.13Å; C945-A967 WeakPolarHBondContact SG-CB 3.34Å; C945-A967 PolarHBondContact SG-O 3.49Å
968	C	98.2	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-143.8	-25.9	-177.9	-76.7	0	0	0	0	115	D942 C945 F994 T995 L1065 L1069	D942-C968 PolarHBondContact OD1-N 3Å; C945-C968 HydrophobicContact CB-CB 3.76Å; C945-C968 WeakPolarHBondContact CB-SG 3.42Å; C945-C968 WeakPolarHBondContact SG-CB 3.38Å; C945-C968 PolarHBondContact SG-N 2.9Å; C945-C968 VanDerWaalsContact SG-N 3.42Å; C945-C968 CovalentContact SG-SG 2.01Å; C945-C968 PolarHBondContact SG-SG 3.08Å; C968-F994 CarbonylContact O-C 3.46Å; C968-F994 VanDerWaalsContact O-CA 3.28Å; C968-F994 WeakPolarHBondContact O-CA 3.37Å; C968-T995 PolarHBondContact O-N 3.09Å; C968-L1065 HydrophobicContact CB-CD1 3.87Å; C968-L1065 HydrophobicContact CB-CD2 4.18Å; C968-L1069 VanDerWaalsContact SG-CD1 3.53Å
969	G	98.1	Very high	91.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-178.8	175.9	0	0	0	0	0	117.1	D942 I966 L993	D942-G969 PolarHBondContact N-O 3.25Å; D942-G969 VanDerWaalsContact N-O 3.08Å; D942-G969 PolarHBondContact OD1-N 3.47Å; D942-G969 VanDerWaalsContact OD1-O 3.05Å; I966-G969 VanDerWaalsContact CG2-O 3.28Å; I966-G969 WeakPolarHBondContact CG2-O 3.48Å; G969-L993 CarbonylContact C-O 3.53Å; G969-L993 WeakPolarHBondContact CA-O 3.49Å
970	A	98.6	Very high	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.3	-177	0	0	0	0	0	111.5	Y940 T941 I966 L993 V1001 I1009	Y940-A970 CarbonylContact O-C 3.48Å; Y940-A970 WeakPolarHBondContact O-CA 3.2Å; Y940-A970 WeakPolarHBondContact O-CB 3.11Å; T941-A970 HydrophobicContact CG2-CB 4.36Å; I966-A970 HydrophobicContact CG2-CB 3.99Å; A970-L993 PolarHBondContact N-O 2.62Å; A970-L993 PolarHBondContact O-N 3.42Å; A970-L993 VanDerWaalsContact O-O 3.13Å; A970-V1001 HydrophobicContact CB-CG2 4.11Å; A970-I1009 HydrophobicContact CB-CD1 3.81Å
971	Y	98.3	Very high	87.6	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.7	169.6	62.9	-96.2	0	0	0	112.7	Y940 F948 E973 R990 L991 P1055 L1057	Y940-Y971 HydrophobicContact CD1-CE2 4.1Å; Y940-Y971 AromaticContact CD1-CZ 3.95Å; Y940-Y971 AromaticContact CD2-CD2 3.51Å; Y940-Y971 HydrophobicContact CD2-CD2 3.51Å; Y940-Y971 AromaticContact CD2-CE2 3.07Å; Y940-Y971 HydrophobicContact CD2-CE2 3.07Å; Y940-Y971 HydrophobicContact CD2-CG 4.47Å; Y940-Y971 AromaticContact CD2-CZ 3.74Å; Y940-Y971 HydrophobicContact CE2-CD2 4.35Å; Y940-Y971 AromaticContact CE2-CE2 3.74Å; Y940-Y971 HydrophobicContact CE2-CE2 3.74Å; Y940-Y971 AromaticContact CG-CD2 3.95Å; Y940-Y971 HydrophobicContact CG-CD2 3.95Å; Y940-Y971 HydrophobicContact CG-CE1 4.15Å; Y940-Y971 AromaticContact CG-CE2 3.29Å; Y940-Y971 HydrophobicContact CG-CE2 3.29Å; Y940-Y971 AromaticContact CG-CZ 3.4Å; Y940-Y971 VanDerWaalsContact CG-CZ 3.4Å; Y940-Y971 PolarHBondContact N-O 3.19Å; Y940-Y971 PolarHBondContact O-N 3.38Å; F948-Y971 HydrophobicContact CB-CE1 4.14Å; F948-Y971 AromaticContact CD1-CD1 3.75Å; F948-Y971 HydrophobicContact CD1-CD1 3.75Å; F948-Y971 AromaticContact CD1-CE1 3.41Å; F948-Y971 HydrophobicContact CD1-CE1 3.41Å; F948-Y971 VanDerWaalsContact CD1-CE1 3.41Å; F948-Y971 HydrophobicContact CD2-CE1 4.49Å; F948-Y971 AromaticContact CE1-CD1 3.79Å; F948-Y971 HydrophobicContact CE1-CD1 3.79Å; F948-Y971 AromaticContact CE1-CE1 3.89Å; F948-Y971 HydrophobicContact CE1-CE1 3.89Å; F948-Y971 HydrophobicContact CG-CD1 4.49Å; F948-Y971 AromaticContact CG-CE1 3.76Å; F948-Y971 HydrophobicContact CG-CE1 3.76Å; Y971-E973 HydrophobicContact CE2-CG 4.48Å; Y971-E973 WeakPolarHBondContact CE2-OE2 3.42Å; Y971-R990 HydrophobicContact CD2-CG 3.9Å; Y971-R990 VanDerWaalsContact CE2-CZ 3.49Å; Y971-R990 HydrophobicContact CG-CG 4.15Å; Y971-L991 WeakPolarHBondContact CA-O 3.28Å; Y971-L991 WeakPolarHBondContact CB-O 3.22Å; Y971-P1055 VanDerWaalsContact OH-CB 3.26Å; Y971-P1055 WeakPolarHBondContact OH-CB 2.96Å; Y971-L1057 HydrophobicContact CD1-CD2 4.1Å; Y971-L1057 HydrophobicContact CE1-CD2 4.12Å
972	I	97.9	Very high	86.1	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.8	167	59.3	173.6	0	0	0	108.5	L932 F939 R990 L991	L932-I972 HydrophobicContact CB-CD1 4.47Å; L932-I972 HydrophobicContact CD1-CD1 4.04Å; L932-I972 HydrophobicContact CD1-CG1 3.99Å; F939-I972 HydrophobicContact CB-CG2 3.71Å; I972-R990 WeakPolarHBondContact O-CA 3.47Å; I972-L991 HydrophobicContact CD1-CB 4.47Å; I972-L991 HydrophobicContact CD1-CD2 3.99Å; I972-L991 HydrophobicContact CG1-CB 3.84Å; I972-L991 HydrophobicContact CG1-CD2 4.07Å; I972-L991 PolarHBondContact N-O 3.21Å; I972-L991 VanDerWaalsContact N-O 3.09Å; I972-L991 PolarHBondContact O-N 3.45Å
973	E	95.5	Very high	84.7	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.6	179.7	63.6	-173.8	-153.6	0	0	112.3	N934 Y940 Y971 Y988 Q989 R990	N934-E973 WeakPolarHBondContact CA-O 3.19Å; N934-E973 WeakPolarHBondContact CB-O 2.98Å; Y940-E973 HydrophobicContact CE2-CG 3.89Å; Y971-E973 HydrophobicContact CE2-CG 4.48Å; Y971-E973 WeakPolarHBondContact CE2-OE2 3.42Å; E973-Y988 HydrophobicContact CG-CD1 4.23Å; E973-Q989 CarbonylContact C-O 3.54Å; E973-Q989 VanDerWaalsContact CA-O 3.28Å; E973-Q989 WeakPolarHBondContact CA-O 3.45Å; E973-R990 HydrophobicContact CB-CB 4.06Å; E973-R990 HydrophobicContact CB-CG 4.21Å; E973-R990 IonicContact OE2-CZ 2.68Å; E973-R990 IonicContact OE2-NE 3.2Å; E973-R990 PolarHBondContact OE2-NE 3.05Å; E973-R990 IonicContact OE2-NH2 3.28Å; E973-R990 PolarHBondContact OE2-NH2 2.93Å
974	Q	93.7	Very high	83.6	Confident	56 Å²	56	60.6 Å²	60.6	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.2	176.2	172.5	-178.9	-19.9	0	0	108.8	L932 M976 Y988 Q989	L932-Q974 HydrophobicContact CD2-CB 4.09Å; Q974-M976 PolarHBondContact O-N 2.92Å; Q974-Y988 CarbonylContact O-C 3.6Å; Q974-Y988 VanDerWaalsContact O-CA 3.25Å; Q974-Y988 WeakPolarHBondContact O-CA 3.48Å; Q974-Q989 PolarHBondContact N-O 3.06Å; Q974-Q989 PolarHBondContact O-N 3.04Å
975	E	90.7	Very high	82.6	Confident	95 Å²	95	62.5 Å²	62.5	44%	0.444	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.8	169.5	-171.3	168.6	-177.8	0	0	109.7	K986 Y988	E975-K986 WeakPolarHBondContact OE1-CD 3.27Å; E975-K986 WeakPolarHBondContact OE1-CE 3.22Å; E975-K986 IonicContact OE1-NZ 2.92Å; E975-K986 PolarHBondContact OE1-NZ 3.39Å; E975-K986 IonicContact OE2-NZ 2.72Å; E975-Y988 HydrophobicContact CB-CD1 4.02Å; E975-Y988 HydrophobicContact CB-CE1 3.69Å; E975-Y988 HydrophobicContact CG-CE1 4.09Å
976	M	86.4	Confident	81.9	Confident	53 Å²	53	65.4 Å²	65.4	26%	0.261	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-85.3	147.7	175.7	-61.5	-177.8	67.5	0	0	109.8	Q974 Q987 Q989 I1045	Q974-M976 PolarHBondContact O-N 2.92Å; M976-Q987 HydrophobicContact CB-CB 4.28Å; M976-Q987 PolarHBondContact N-O 3.11Å; M976-Q987 HydrophobicContact SD-CB 4.44Å; M976-Q989 HydrophobicContact CG-CB 4.17Å; M976-Q989 HydrophobicContact SD-CB 4.11Å; M976-I1045 HydrophobicContact CE-CD1 4.38Å; M976-I1045 HydrophobicContact SD-CD1 4.29Å; M976-I1045 HydrophobicContact SD-CG2 3.53Å; M976-I1045 VanDerWaalsContact SD-CG2 3.53Å
977	N	73	Confident	81.3	Confident	166 Å²	166	68.1 Å²	68.1	89%	0.888	33%	0.334	S	S	*	.	S	Bend	trans	-46.7	141.6	-173.4	-73.2	-15.1	0	0	0	114.3	S979	N977-S979 PolarHBondContact O-N 3.14Å
978	E	54.2	Low	80.9	Confident	191 Å²	191	70 Å²	70	89%	0.893	34%	0.341	S	S	*	.			trans	-24.4	95.1	-178	-66.1	176.3	177	0	0	114.4	D980	E978-D980 PolarHBondContact O-N 3.28Å
979	S	52.9	Low	80.6	Confident	45 Å²	45	71.6 Å²	71.6	32%	0.315	35%	0.349	S	S	.	.			trans	-51.8	128.1	148.7	54	0	0	0	0	107.4	N977 D981 S983 V985	N977-S979 PolarHBondContact O-N 3.14Å; S979-D981 PolarHBondContact O-N 3.21Å; S979-S983 WeakPolarHBondContact CB-OG 3.48Å; S979-S983 PolarHBondContact OG-OG 2.94Å; S979-V985 PolarHBondContact OG-O 2.68Å; S979-V985 VanDerWaalsContact OG-O 3.13Å
980	D	55.6	Low	80.5	Confident	108 Å²	108	71.7 Å²	71.7	58%	0.578	35%	0.349	S	S	*	.			trans	-27.2	122.4	172.7	-171.4	7	0	0	0	109.5	E978 R982 S983	E978-D980 PolarHBondContact O-N 3.28Å; D980-R982 CarbonylContact O-C 3.52Å; D980-R982 PolarHBondContact O-N 3.23Å; D980-S983 PolarHBondContact O-N 3.49Å; D980-S983 PolarHBondContact O-OG 3.46Å
981	D	60	Low	80.4	Confident	137 Å²	137	71.9 Å²	71.9	73%	0.733	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.3	-168	-162.9	20.4	0	0	0	113	S979 S983 K1050	S979-D981 PolarHBondContact O-N 3.21Å; D981-S983 VanDerWaalsContact C-N 3.29Å; D981-S983 PolarHBondContact O-N 3.2Å; D981-K1050 PolarHBondContact O-NZ 3.21Å; D981-K1050 IonicContact OD1-NZ 3.32Å; D981-K1050 PolarHBondContact OD1-NZ 3.4Å
982	R	65.3	Low	80.4	Confident	210 Å²	210	71.8 Å²	71.8	79%	0.792	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.6	168.2	-56	-178.4	-169.9	-169.2	3.4	115.1	D980	D980-R982 CarbonylContact O-C 3.52Å; D980-R982 PolarHBondContact O-N 3.23Å
983	S	68.1	Low	80.4	Confident	35 Å²	35	71.8 Å²	71.8	25%	0.245	35%	0.35	C	S	.	.			trans	-76.3	130	175.2	73.3	0	0	0	0	109.5	S979 D980 D981 V985 K1050	S979-S983 WeakPolarHBondContact CB-OG 3.48Å; S979-S983 PolarHBondContact OG-OG 2.94Å; D980-S983 PolarHBondContact O-N 3.49Å; D980-S983 PolarHBondContact O-OG 3.46Å; D981-S983 VanDerWaalsContact C-N 3.29Å; D981-S983 PolarHBondContact O-N 3.2Å; S983-V985 PolarHBondContact O-N 3.24Å; S983-V985 PolarHBondContact OG-O 3.38Å; S983-K1050 WeakPolarHBondContact O-CE 3.46Å; S983-K1050 PolarHBondContact O-NZ 2.72Å; S983-K1050 VanDerWaalsContact O-NZ 3.16Å
984	H	75.5	Confident	80.6	Confident	144 Å²	144	70.9 Å²	70.9	67%	0.667	35%	0.345	S	S	*	.	S	Bend	trans	-74.6	7.1	169.3	-63.1	-70.8	0	0	0	112.4	D1049 K1050	H984-D1049 CarbonylContact O-C 3.56Å; H984-D1049 WeakPolarHBondContact O-CA 3.22Å; H984-K1050 PolarHBondContact O-N 2.72Å
985	V	78	Confident	80.8	Confident	47 Å²	47	68.5 Å²	68.5	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.8	-170	179.4	0	0	0	0	109.9	S979 S983 I1048	S979-V985 PolarHBondContact OG-O 2.68Å; S979-V985 VanDerWaalsContact OG-O 3.13Å; S983-V985 PolarHBondContact O-N 3.24Å; S983-V985 PolarHBondContact OG-O 3.38Å; V985-I1048 CarbonylContact C-O 3.52Å; V985-I1048 VanDerWaalsContact CA-O 3.31Å; V985-I1048 WeakPolarHBondContact CA-O 3.31Å; V985-I1048 WeakPolarHBondContact CG1-O 3.48Å
986	K	82.6	Confident	81	Confident	64 Å²	64	64.4 Å²	64.4	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.9	172	-69.3	-176.9	168.3	-142.1	0	110.9	E975 Y988 S1047 I1048 K1050	E975-K986 WeakPolarHBondContact OE1-CD 3.27Å; E975-K986 WeakPolarHBondContact OE1-CE 3.22Å; E975-K986 IonicContact OE1-NZ 2.92Å; E975-K986 PolarHBondContact OE1-NZ 3.39Å; E975-K986 IonicContact OE2-NZ 2.72Å; K986-Y988 HydrophobicContact CB-CD2 4.49Å; K986-Y988 HydrophobicContact CB-CE2 3.71Å; K986-S1047 CarbonylContact O-C 3.54Å; K986-S1047 WeakPolarHBondContact O-CA 3.08Å; K986-I1048 PolarHBondContact N-O 2.92Å; K986-I1048 PolarHBondContact O-N 3.12Å; K986-K1050 HydrophobicContact CG-CG 4.13Å
987	Q	86.7	Confident	81.5	Confident	57 Å²	57	62.2 Å²	62.2	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.9	176.2	-69.2	-169.3	-23.7	0	0	111.7	M976 I1046	M976-Q987 HydrophobicContact CB-CB 4.28Å; M976-Q987 PolarHBondContact N-O 3.11Å; M976-Q987 HydrophobicContact SD-CB 4.44Å; Q987-I1046 VanDerWaalsContact CA-O 3.3Å; Q987-I1046 WeakPolarHBondContact CA-O 3.49Å
988	Y	89.9	Confident	82.7	Confident	41 Å²	41	54.3 Å²	54.3	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.1	177.9	-63.6	-98.4	0	0	0	110.4	E973 Q974 E975 K986 I1045 I1046 I1048	E973-Y988 HydrophobicContact CG-CD1 4.23Å; Q974-Y988 CarbonylContact O-C 3.6Å; Q974-Y988 VanDerWaalsContact O-CA 3.25Å; Q974-Y988 WeakPolarHBondContact O-CA 3.48Å; E975-Y988 HydrophobicContact CB-CD1 4.02Å; E975-Y988 HydrophobicContact CB-CE1 3.69Å; E975-Y988 HydrophobicContact CG-CE1 4.09Å; K986-Y988 HydrophobicContact CB-CD2 4.49Å; K986-Y988 HydrophobicContact CB-CE2 3.71Å; Y988-I1045 CarbonylContact O-C 3.53Å; Y988-I1045 VanDerWaalsContact O-CA 3.3Å; Y988-I1045 WeakPolarHBondContact O-CA 3.41Å; Y988-I1045 WeakPolarHBondContact O-CG2 3.47Å; Y988-I1046 HydrophobicContact CD2-CG1 4.47Å; Y988-I1046 PolarHBondContact N-O 3.46Å; Y988-I1046 PolarHBondContact O-N 3.24Å; Y988-I1048 HydrophobicContact CD2-CB 4.45Å; Y988-I1048 HydrophobicContact CD2-CD1 3.74Å; Y988-I1048 HydrophobicContact CD2-CG1 4.02Å; Y988-I1048 HydrophobicContact CE2-CB 4.23Å; Y988-I1048 HydrophobicContact CE2-CD1 3.87Å; Y988-I1048 HydrophobicContact CE2-CG1 4.22Å
989	Q	92.4	Very high	84.8	Confident	33 Å²	33	45.4 Å²	45.4	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.2	165.1	-168.6	-179.4	24.3	0	0	108.1	M833 L932 E973 Q974 M976	M833-Q989 HydrophobicContact CE-CG 4.03Å; M833-Q989 VanDerWaalsContact CE-NE2 3.35Å; L932-Q989 HydrophobicContact CD2-CB 4.18Å; L932-Q989 HydrophobicContact CD2-CG 3.97Å; E973-Q989 CarbonylContact C-O 3.54Å; E973-Q989 VanDerWaalsContact CA-O 3.28Å; E973-Q989 WeakPolarHBondContact CA-O 3.45Å; Q974-Q989 PolarHBondContact N-O 3.06Å; Q974-Q989 PolarHBondContact O-N 3.04Å; M976-Q989 HydrophobicContact CG-CB 4.17Å; M976-Q989 HydrophobicContact SD-CB 4.11Å
990	R	94.5	Very high	87	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	-172.9	-177.8	-177.9	-71	-179.4	-7	111.4	Y971 I972 E973 N992 T1043 E1044 S1056	Y971-R990 HydrophobicContact CD2-CG 3.9Å; Y971-R990 VanDerWaalsContact CE2-CZ 3.49Å; Y971-R990 HydrophobicContact CG-CG 4.15Å; I972-R990 WeakPolarHBondContact O-CA 3.47Å; E973-R990 HydrophobicContact CB-CB 4.06Å; E973-R990 HydrophobicContact CB-CG 4.21Å; E973-R990 IonicContact OE2-CZ 2.68Å; E973-R990 IonicContact OE2-NE 3.2Å; E973-R990 PolarHBondContact OE2-NE 3.05Å; E973-R990 IonicContact OE2-NH2 3.28Å; E973-R990 PolarHBondContact OE2-NH2 2.93Å; R990-N992 VanDerWaalsContact CD-OD1 3.32Å; R990-N992 WeakPolarHBondContact CD-OD1 3.43Å; R990-T1043 CarbonylContact O-C 3.52Å; R990-T1043 WeakPolarHBondContact O-CA 3.1Å; R990-E1044 HydrophobicContact CB-CG 4.16Å; R990-E1044 PolarHBondContact N-O 2.96Å; R990-E1044 IonicContact NH1-OE1 3.01Å; R990-E1044 PolarHBondContact O-N 2.84Å; R990-S1056 PolarHBondContact NH1-O 2.9Å; R990-S1056 PolarHBondContact NH2-O 2.76Å
991	L	97.4	Very high	89	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118	165.1	179.1	76.9	0	0	0	109	M835 I928 T930 L932 Y971 I972 I1009 L1041 T1043	M835-L991 HydrophobicContact SD-CD1 4.42Å; I928-L991 HydrophobicContact CG2-CD2 4.15Å; T930-L991 HydrophobicContact CG2-CD2 3.75Å; L932-L991 HydrophobicContact CD1-CB 3.67Å; Y971-L991 WeakPolarHBondContact CA-O 3.28Å; Y971-L991 WeakPolarHBondContact CB-O 3.22Å; I972-L991 HydrophobicContact CD1-CB 4.47Å; I972-L991 HydrophobicContact CD1-CD2 3.99Å; I972-L991 HydrophobicContact CG1-CB 3.84Å; I972-L991 HydrophobicContact CG1-CD2 4.07Å; I972-L991 PolarHBondContact N-O 3.21Å; I972-L991 VanDerWaalsContact N-O 3.09Å; I972-L991 PolarHBondContact O-N 3.45Å; L991-I1009 HydrophobicContact CD2-CG2 4.49Å; L991-L1041 HydrophobicContact CD1-CD1 3.63Å; L991-L1041 HydrophobicContact CD1-CG 4.14Å; L991-L1041 HydrophobicContact CD2-CD1 4.24Å; L991-L1041 HydrophobicContact CG-CD1 3.92Å; L991-T1043 HydrophobicContact CD1-CG2 3.79Å
992	N	98	Very high	90.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136	177.1	-66.1	-77.1	0	0	0	110.7	R990 F994 L1041 F1042 E1044	R990-N992 VanDerWaalsContact CD-OD1 3.32Å; R990-N992 WeakPolarHBondContact CD-OD1 3.43Å; N992-F994 HydrophobicContact CB-CE1 4.34Å; N992-F994 HydrophobicContact CB-CZ 4.14Å; N992-L1041 WeakPolarHBondContact O-CA 3.32Å; N992-L1041 WeakPolarHBondContact O-CD1 3.2Å; N992-F1042 HydrophobicContact CB-CD1 3.98Å; N992-F1042 HydrophobicContact CB-CD2 4.48Å; N992-F1042 HydrophobicContact CB-CE1 3.43Å; N992-F1042 VanDerWaalsContact CB-CE1 3.43Å; N992-F1042 HydrophobicContact CB-CE2 4Å; N992-F1042 HydrophobicContact CB-CG 4.47Å; N992-F1042 HydrophobicContact CB-CZ 3.43Å; N992-F1042 VanDerWaalsContact CB-CZ 3.43Å; N992-F1042 PolarHBondContact N-O 3.42Å; N992-F1042 VanDerWaalsContact ND2-CE2 3.28Å; N992-F1042 WeakPolarHBondContact ND2-CE2 3.47Å; N992-F1042 WeakPolarHBondContact ND2-CZ 3.49Å; N992-F1042 PolarHBondContact O-N 2.71Å; N992-E1044 WeakPolarHBondContact ND2-CG 3.17Å; N992-E1044 PolarHBondContact ND2-OE1 2.8Å
993	L	98.6	Very high	92.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	110.5	174.9	176.5	69.2	0	0	0	109.1	I928 G969 A970 I1009 V1011 L1039 L1041	I928-L993 HydrophobicContact CD1-CD1 3.84Å; I928-L993 HydrophobicContact CD1-CD2 4.21Å; G969-L993 CarbonylContact C-O 3.53Å; G969-L993 WeakPolarHBondContact CA-O 3.49Å; A970-L993 PolarHBondContact N-O 2.62Å; A970-L993 PolarHBondContact O-N 3.42Å; A970-L993 VanDerWaalsContact O-O 3.13Å; L993-I1009 HydrophobicContact CD2-CD1 4.27Å; L993-V1011 HydrophobicContact CD2-CB 3.91Å; L993-V1011 HydrophobicContact CD2-CG1 4.08Å; L993-V1011 HydrophobicContact CD2-CG2 4.34Å; L993-L1039 HydrophobicContact CD1-CB 4.23Å; L993-L1039 HydrophobicContact CD1-CD2 3.73Å; L993-L1039 HydrophobicContact CG-CD2 4.42Å; L993-L1041 HydrophobicContact CB-CD1 4.36Å; L993-L1041 HydrophobicContact CD1-CD1 4.12Å
994	F	98.7	Very high	93.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.5	174.9	-57.6	-33.4	0	0	0	111.4	F948 C968 N992 L1039 H1040 F1042 L1057 S1061 I1064 L1065 L1068	F948-F994 HydrophobicContact CZ-CE1 4.48Å; C968-F994 CarbonylContact O-C 3.46Å; C968-F994 VanDerWaalsContact O-CA 3.28Å; C968-F994 WeakPolarHBondContact O-CA 3.37Å; N992-F994 HydrophobicContact CB-CE1 4.34Å; N992-F994 HydrophobicContact CB-CZ 4.14Å; F994-L1039 CarbonylContact O-C 3.58Å; F994-L1039 WeakPolarHBondContact O-CA 3.19Å; F994-L1039 VanDerWaalsContact O-CB 3.29Å; F994-L1039 WeakPolarHBondContact O-CB 3.27Å; F994-H1040 HydrophobicContact CB-CB 4.45Å; F994-H1040 PolarHBondContact N-O 3.39Å; F994-H1040 PolarHBondContact O-N 3.35Å; F994-F1042 AromaticContact CD2-CE1 3.9Å; F994-F1042 HydrophobicContact CD2-CE1 3.9Å; F994-F1042 AromaticContact CE2-CE1 3.44Å; F994-F1042 HydrophobicContact CE2-CE1 3.44Å; F994-F1042 VanDerWaalsContact CE2-CE1 3.44Å; F994-F1042 AromaticContact CE2-CZ 3.72Å; F994-F1042 HydrophobicContact CE2-CZ 3.72Å; F994-F1042 HydrophobicContact CZ-CE1 4.08Å; F994-F1042 HydrophobicContact CZ-CZ 4.08Å; F994-L1057 HydrophobicContact CE1-CD1 4.15Å; F994-L1057 HydrophobicContact CE1-CD2 4.29Å; F994-L1057 HydrophobicContact CZ-CD1 3.9Å; F994-L1057 HydrophobicContact CZ-CD2 4.18Å; F994-S1061 WeakPolarHBondContact CE2-O 3.17Å; F994-I1064 HydrophobicContact CD2-CB 4.41Å; F994-I1064 HydrophobicContact CD2-CG2 3.99Å; F994-I1064 HydrophobicContact CE2-CB 4.25Å; F994-I1064 HydrophobicContact CE2-CG2 4.26Å; F994-L1065 HydrophobicContact CB-CD1 3.98Å; F994-L1065 HydrophobicContact CD1-CD1 4.35Å; F994-L1065 HydrophobicContact CD2-CB 3.87Å; F994-L1065 HydrophobicContact CD2-CD1 4.3Å; F994-L1065 HydrophobicContact CE2-CB 3.93Å; F994-L1065 HydrophobicContact CG-CB 4.34Å; F994-L1065 HydrophobicContact CG-CD1 3.96Å; F994-L1065 HydrophobicContact CZ-CB 4.46Å; F994-L1068 HydrophobicContact CB-CD2 3.96Å
995	T	98.2	Very high	94.8	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.5	-178.4	61	0	0	0	0	110.9	I966 C968 H997 T999 V1011 L1039 L1068	I966-T995 HydrophobicContact CD1-CG2 3.72Å; C968-T995 PolarHBondContact O-N 3.09Å; T995-H997 WeakPolarHBondContact CB-O 3.36Å; T995-H997 PolarHBondContact O-N 3.02Å; T995-H997 PolarHBondContact OG1-O 2.89Å; T995-T999 HydrophobicContact CG2-CG2 4.22Å; T995-V1011 HydrophobicContact CG2-CG2 4.32Å; T995-L1039 HydrophobicContact CG2-CD2 3.79Å; T995-L1039 HydrophobicContact CG2-CG 4.24Å; T995-L1068 VanDerWaalsContact C-CD2 3.5Å
996	S	95.7	Very high	95.7	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.07	11%	0.105	C	C	.	.	S	Bend	trans	-73.4	-17.3	177.3	62.3	0	0	0	0	113.8	R512 Q1038	R512-S996 WeakPolarHBondContact CB-O 3.37Å; R512-S996 WeakPolarHBondContact CG-O 3.34Å; S996-Q1038 PolarHBondContact N-O 3.04Å; S996-Q1038 PolarHBondContact OG-N 3.44Å; S996-Q1038 PolarHBondContact OG-O 3.13Å
997	H	96.5	Very high	96.5	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.032	9%	0.092	C	C	.	.	S	Bend	trans	-147.1	159.3	179.9	64.9	-95.8	0	0	0	111.2	F509 R512 T995	F509-H997 HydrophobicContact CB-CB 4.4Å; R512-H997 HydrophobicContact CG-CB 4.17Å; T995-H997 WeakPolarHBondContact CB-O 3.36Å; T995-H997 PolarHBondContact O-N 3.02Å; T995-H997 PolarHBondContact OG1-O 2.89Å
998	P	98.3	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.			trans	-67.4	143.6	-175.8	29.1	-39.3	0	0	0	111.9	V251 K508 I966	V251-P998 HydrophobicContact CB-CB 3.58Å; V251-P998 HydrophobicContact CB-CG 3.86Å; V251-P998 HydrophobicContact CG1-CB 3.92Å; V251-P998 WeakPolarHBondContact O-CB 3.15Å; V251-P998 VanDerWaalsContact O-CG 3.22Å; V251-P998 WeakPolarHBondContact O-CG 3.48Å; K508-P998 HydrophobicContact CB-CG 3.94Å; K508-P998 HydrophobicContact CD-CG 4.05Å; K508-P998 HydrophobicContact CG-CG 3.95Å; I966-P998 CarbonylContact O-C 3.59Å; I966-P998 WeakPolarHBondContact O-CA 3.38Å
999	T	98	Very high	97.4	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-171.2	177.1	-170.5	0	0	0	0	111	Y501 D502 I966 T995 V1011 W1012	Y501-T999 WeakPolarHBondContact O-CA 3.49Å; D502-T999 PolarHBondContact OD1-OG1 2.9Å; I966-T999 HydrophobicContact CD1-CG2 3.73Å; I966-T999 HydrophobicContact CG1-CG2 3.83Å; I966-T999 WeakPolarHBondContact CG1-O 3.36Å; I966-T999 PolarHBondContact N-O 3.37Å; I966-T999 PolarHBondContact O-N 2.77Å; T995-T999 HydrophobicContact CG2-CG2 4.22Å; T999-V1011 HydrophobicContact CG2-CG2 3.69Å; T999-W1012 WeakPolarHBondContact OG1-CB 3.26Å; T999-W1012 PolarHBondContact OG1-O 2.91Å
1000	G	98.3	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148.5	174.8	0	0	0	0	0	113.4	Y964 W1012	Y964-G1000 WeakPolarHBondContact O-CA 3.4Å; G1000-W1012 WeakPolarHBondContact O-CB 3.21Å; G1000-W1012 PolarHBondContact O-N 2.92Å
1001	V	98.6	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.9	174.5	-66.3	0	0	0	0	112.8	F939 T941 V963 Y964 I966 A970 N1010 V1011	F939-V1001 HydrophobicContact CE2-CG2 4.37Å; T941-V1001 HydrophobicContact CG2-CG2 3.54Å; V963-V1001 WeakPolarHBondContact CA-O 3.5Å; Y964-V1001 PolarHBondContact N-O 2.86Å; Y964-V1001 PolarHBondContact O-N 2.79Å; I966-V1001 HydrophobicContact CD1-CG1 3.41Å; I966-V1001 VanDerWaalsContact CD1-CG1 3.41Å; I966-V1001 HydrophobicContact CG1-CG1 3.81Å; I966-V1001 HydrophobicContact CG1-CG2 4.37Å; I966-V1001 HydrophobicContact CG2-CG1 4.31Å; I966-V1001 HydrophobicContact CG2-CG2 3.52Å; A970-V1001 HydrophobicContact CB-CG2 4.11Å; V1001-N1010 CarbonylContact C-O 3.56Å; V1001-N1010 VanDerWaalsContact CA-O 3.23Å; V1001-N1010 WeakPolarHBondContact CA-O 3.48Å; V1001-V1011 HydrophobicContact CG1-CB 3.98Å; V1001-V1011 HydrophobicContact CG1-CG2 3.92Å
1002	V	98.2	Very high	97.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146	172.8	57.9	0	0	0	0	110.8	Y953 L959 N962 V963 P1004 N1010	Y953-V1002 HydrophobicContact CD2-CG2 3.76Å; Y953-V1002 HydrophobicContact CE2-CG2 3.95Å; L959-V1002 HydrophobicContact CD1-CG1 4.26Å; L959-V1002 HydrophobicContact CD1-CG2 4.14Å; N962-V1002 HydrophobicContact CB-CG2 4.05Å; N962-V1002 VanDerWaalsContact O-CG2 3.29Å; N962-V1002 WeakPolarHBondContact O-CG2 3.46Å; V963-V1002 HydrophobicContact CG2-CB 4.24Å; V963-V1002 HydrophobicContact CG2-CG1 4.31Å; V1002-P1004 VanDerWaalsContact C-CD 3.49Å; V1002-P1004 HydrophobicContact CG2-CB 4.47Å; V1002-P1004 VanDerWaalsContact O-CD 3.24Å; V1002-P1004 WeakPolarHBondContact O-CD 3.37Å; V1002-N1010 HydrophobicContact CG1-CB 3.94Å; V1002-N1010 PolarHBondContact N-O 2.89Å; V1002-N1010 PolarHBondContact O-N 3.11Å
1003	S	98.1	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.			trans	-110.1	79.9	170.7	-172.1	0	0	0	0	110.5	N934 F939 Y953 K1005 Q1008	N934-S1003 PolarHBondContact ND2-OG 2.82Å; F939-S1003 VanDerWaalsContact CD1-CB 3.46Å; Y953-S1003 WeakPolarHBondContact CB-O 3.35Å; S1003-K1005 VanDerWaalsContact C-N 3.33Å; S1003-K1005 PolarHBondContact O-N 2.83Å; S1003-Q1008 VanDerWaalsContact CA-O 3.28Å; S1003-Q1008 WeakPolarHBondContact CA-O 3.41Å; S1003-Q1008 WeakPolarHBondContact CB-O 3.4Å; S1003-Q1008 PolarHBondContact OG-O 3.3Å
1004	P	96.6	Very high	97.5	Very high	25 Å²	25	13.4 Å²	13.4	16%	0.162	7%	0.069	C	C	.	.			trans	-76.9	-20.3	-171.7	31.6	-35.8	0	0	0	113.4	R937 Y953 V1002	R937-P1004 WeakPolarHBondContact CD-O 3.34Å; Y953-P1004 HydrophobicContact CD2-CB 4.26Å; Y953-P1004 HydrophobicContact CE2-CB 3.93Å; V1002-P1004 VanDerWaalsContact C-CD 3.49Å; V1002-P1004 HydrophobicContact CG2-CB 4.47Å; V1002-P1004 VanDerWaalsContact O-CD 3.24Å; V1002-P1004 WeakPolarHBondContact O-CD 3.37Å
1005	K	97	Very high	97.2	Very high	131 Å²	131	13.4 Å²	13.4	57%	0.57	7%	0.069	S	C	*	.	S	Bend	trans	-133.1	156.5	177.8	-57.7	-172.2	-169.1	168.8	0	109.8	S1003 G1007 Q1008	S1003-K1005 VanDerWaalsContact C-N 3.33Å; S1003-K1005 PolarHBondContact O-N 2.83Å; K1005-G1007 PolarHBondContact O-N 3.2Å; K1005-Q1008 HydrophobicContact CB-CB 3.91Å; K1005-Q1008 VanDerWaalsContact CD-OE1 3.26Å; K1005-Q1008 WeakPolarHBondContact O-CB 3.39Å; K1005-Q1008 PolarHBondContact O-N 2.84Å
1006	V	98.2	Very high	97	Very high	68 Å²	68	14.5 Å²	14.5	41%	0.412	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	131.9	173.3	-179.4	0	0	0	0	109.5	Q929 N934 R937 Q1008	Q929-V1006 PolarHBondContact NE2-O 2.85Å; N934-V1006 WeakPolarHBondContact OD1-CA 3.26Å; R937-V1006 HydrophobicContact CG-CG2 3.94Å; V1006-Q1008 PolarHBondContact O-N 3.14Å
1007	G	98	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	2.9	-177.5	0	0	0	0	0	114.8	T930 L932 N934 K1005	T930-G1007 PolarHBondContact N-O 3.24Å; T930-G1007 PolarHBondContact OG1-O 3.4Å; L932-G1007 WeakPolarHBondContact O-CA 3.05Å; L932-G1007 PolarHBondContact O-N 2.83Å; N934-G1007 PolarHBondContact OD1-N 2.99Å; K1005-G1007 PolarHBondContact O-N 3.2Å
1008	Q	98.1	Very high	96.5	Very high	18 Å²	18	16.2 Å²	16.2	8%	0.084	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.7	-176.9	-164.3	177.7	-15.1	0	0	111.3	I928 Q929 S1003 K1005 V1006 N1010	I928-Q1008 WeakPolarHBondContact O-CA 3.28Å; Q929-Q1008 VanDerWaalsContact OE1-CB 3.3Å; S1003-Q1008 VanDerWaalsContact CA-O 3.28Å; S1003-Q1008 WeakPolarHBondContact CA-O 3.41Å; S1003-Q1008 WeakPolarHBondContact CB-O 3.4Å; S1003-Q1008 PolarHBondContact OG-O 3.3Å; K1005-Q1008 HydrophobicContact CB-CB 3.91Å; K1005-Q1008 VanDerWaalsContact CD-OE1 3.26Å; K1005-Q1008 WeakPolarHBondContact O-CB 3.39Å; K1005-Q1008 PolarHBondContact O-N 2.84Å; V1006-Q1008 PolarHBondContact O-N 3.14Å; Q1008-N1010 PolarHBondContact NE2-OD1 2.98Å
1009	I	98.4	Very high	96.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.9	164.6	-169.7	167.6	0	0	0	109.5	I928 A970 L991 L993	I928-I1009 HydrophobicContact CB-CG2 3.91Å; I928-I1009 HydrophobicContact CD1-CG2 4.27Å; I928-I1009 PolarHBondContact N-O 3.34Å; I928-I1009 PolarHBondContact O-N 2.78Å; A970-I1009 HydrophobicContact CB-CD1 3.81Å; L991-I1009 HydrophobicContact CD2-CG2 4.49Å; L993-I1009 HydrophobicContact CD2-CD1 4.27Å
1010	N	98.3	Very high	95.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.8	175.3	-63.2	-6.3	0	0	0	108.4	F925 M926 T927 V1001 V1002 Q1008	F925-N1010 HydrophobicContact CD1-CB 4.16Å; M926-N1010 CarbonylContact O-C 3.58Å; M926-N1010 WeakPolarHBondContact O-CA 3.42Å; T927-N1010 WeakPolarHBondContact CB-OD1 3.46Å; T927-N1010 VanDerWaalsContact CG2-OD1 3.3Å; T927-N1010 WeakPolarHBondContact CG2-OD1 3.45Å; V1001-N1010 CarbonylContact C-O 3.56Å; V1001-N1010 VanDerWaalsContact CA-O 3.23Å; V1001-N1010 WeakPolarHBondContact CA-O 3.48Å; V1002-N1010 HydrophobicContact CG1-CB 3.94Å; V1002-N1010 PolarHBondContact N-O 2.89Å; V1002-N1010 PolarHBondContact O-N 3.11Å; Q1008-N1010 PolarHBondContact NE2-OD1 2.98Å
1011	V	98.3	Very high	95.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.4	176.6	59.8	0	0	0	0	109.2	F925 M926 I966 L993 T995 T999 V1001 I1013 L1039	F925-V1011 CarbonylContact C-O 3.58Å; F925-V1011 VanDerWaalsContact CA-O 3.32Å; F925-V1011 WeakPolarHBondContact CA-O 3.31Å; M926-V1011 HydrophobicContact CB-CG1 3.89Å; M926-V1011 HydrophobicContact CE-CG1 3.4Å; M926-V1011 PolarHBondContact N-O 2.88Å; M926-V1011 PolarHBondContact O-N 2.89Å; I966-V1011 HydrophobicContact CD1-CG2 4.46Å; L993-V1011 HydrophobicContact CD2-CB 3.91Å; L993-V1011 HydrophobicContact CD2-CG1 4.08Å; L993-V1011 HydrophobicContact CD2-CG2 4.34Å; T995-V1011 HydrophobicContact CG2-CG2 4.32Å; T999-V1011 HydrophobicContact CG2-CG2 3.69Å; V1001-V1011 HydrophobicContact CG1-CB 3.98Å; V1001-V1011 HydrophobicContact CG1-CG2 3.92Å; V1011-I1013 HydrophobicContact CG1-CD1 3.95Å; V1011-L1039 HydrophobicContact CG1-CD2 4.14Å; V1011-L1039 HydrophobicContact CG2-CD2 4.35Å
1012	W	97	Very high	95.4	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	140.3	178.8	-145.7	-33.6	0	0	0	109.7	S498 D502 F856 D923 L924 F925 V963 T999 G1000 D1014 R1015	S498-W1012 WeakPolarHBondContact O-CZ3 3.48Å; D502-W1012 HydrophobicContact CB-CB 3.98Å; D502-W1012 HydrophobicContact CB-CD2 3.61Å; D502-W1012 HydrophobicContact CB-CE3 4.09Å; D502-W1012 HydrophobicContact CB-CG 3.55Å; D502-W1012 VanDerWaalsContact CG-CD1 3.49Å; D502-W1012 PolarHBondContact OD2-NE1 2.84Å; F856-W1012 HydrophobicContact CB-CH2 3.73Å; F856-W1012 HydrophobicContact CB-CZ3 4.39Å; F856-W1012 AromaticContact CD1-CH2 3.85Å; F856-W1012 HydrophobicContact CD1-CH2 3.85Å; F856-W1012 HydrophobicContact CD1-CZ3 4.1Å; F856-W1012 AromaticContact CD2-CH2 3.62Å; F856-W1012 HydrophobicContact CD2-CH2 3.62Å; F856-W1012 AromaticContact CD2-CZ2 3.96Å; F856-W1012 HydrophobicContact CD2-CZ2 3.96Å; F856-W1012 HydrophobicContact CE1-CH2 4.4Å; F856-W1012 HydrophobicContact CE2-CH2 4.21Å; F856-W1012 HydrophobicContact CE2-CZ2 4.28Å; F856-W1012 AromaticContact CG-CH2 3.44Å; F856-W1012 HydrophobicContact CG-CH2 3.44Å; F856-W1012 VanDerWaalsContact CG-CH2 3.44Å; F856-W1012 HydrophobicContact CG-CZ2 4.24Å; F856-W1012 HydrophobicContact CG-CZ3 4.12Å; D923-W1012 HydrophobicContact CB-CZ2 3.73Å; D923-W1012 WeakPolarHBondContact OD1-CZ2 3.23Å; L924-W1012 VanDerWaalsContact O-CD1 3.22Å; F925-W1012 HydrophobicContact CD1-CB 3.92Å; F925-W1012 HydrophobicContact CD1-CG 4.06Å; F925-W1012 HydrophobicContact CD2-CG 4.25Å; F925-W1012 HydrophobicContact CE1-CB 3.65Å; F925-W1012 AromaticContact CE1-CD2 3.67Å; F925-W1012 HydrophobicContact CE1-CD2 3.67Å; F925-W1012 AromaticContact CE1-CE3 3.83Å; F925-W1012 HydrophobicContact CE1-CE3 3.83Å; F925-W1012 AromaticContact CE1-CG 3.61Å; F925-W1012 HydrophobicContact CE1-CG 3.61Å; F925-W1012 AromaticContact CE2-CD1 3.88Å; F925-W1012 AromaticContact CE2-CD2 3.63Å; F925-W1012 HydrophobicContact CE2-CD2 3.63Å; F925-W1012 AromaticContact CE2-CE2 3.57Å; F925-W1012 HydrophobicContact CE2-CE3 4.24Å; F925-W1012 AromaticContact CE2-CG 3.81Å; F925-W1012 HydrophobicContact CE2-CG 3.81Å; F925-W1012 HydrophobicContact CE2-CZ2 4.11Å; F925-W1012 AromaticContact CE2-NE1 3.71Å; F925-W1012 HydrophobicContact CG-CG 4.37Å; F925-W1012 HydrophobicContact CZ-CB 4.06Å; F925-W1012 AromaticContact CZ-CD2 3.14Å; F925-W1012 HydrophobicContact CZ-CD2 3.14Å; F925-W1012 AromaticContact CZ-CE2 3.56Å; F925-W1012 AromaticContact CZ-CE3 3.36Å; F925-W1012 HydrophobicContact CZ-CE3 3.36Å; F925-W1012 AromaticContact CZ-CG 3.48Å; F925-W1012 HydrophobicContact CZ-CG 3.48Å; F925-W1012 VanDerWaalsContact CZ-CG 3.48Å; F925-W1012 HydrophobicContact CZ-CH2 4.26Å; F925-W1012 HydrophobicContact CZ-CZ2 4.11Å; F925-W1012 AromaticContact CZ-CZ3 3.93Å; F925-W1012 HydrophobicContact CZ-CZ3 3.93Å; V963-W1012 HydrophobicContact CG1-CE3 4.17Å; V963-W1012 HydrophobicContact CG1-CZ3 4.18Å; T999-W1012 WeakPolarHBondContact OG1-CB 3.26Å; T999-W1012 PolarHBondContact OG1-O 2.91Å; G1000-W1012 WeakPolarHBondContact O-CB 3.21Å; G1000-W1012 PolarHBondContact O-N 2.92Å; W1012-D1014 PolarHBondContact NE1-O 3.34Å; W1012-R1015 HydrophobicContact CZ2-CB 4.39Å
1013	I	95	Very high	95.1	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-43	-175.9	-50.1	-59.8	0	0	0	112.6	N910 V912 L924 M926 V1011	N910-I1013 HydrophobicContact CB-CG2 4.06Å; V912-I1013 HydrophobicContact CG2-CG2 3.32Å; L924-I1013 PolarHBondContact O-N 3.15Å; M926-I1013 HydrophobicContact CB-CD1 3.8Å; M926-I1013 HydrophobicContact CB-CG1 3.8Å; M926-I1013 HydrophobicContact CE-CD1 4.49Å; V1011-I1013 HydrophobicContact CG1-CD1 3.95Å
1014	D	94	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	164.1	173.9	-155.8	-7.2	0	0	0	111	D502 V912 L924 W1012 W1033	D502-D1014 WeakPolarHBondContact OD2-CA 3.29Å; D502-D1014 PolarHBondContact OD2-N 3.37Å; V912-D1014 HydrophobicContact CB-CB 4.25Å; V912-D1014 HydrophobicContact CG1-CB 3.7Å; V912-D1014 WeakPolarHBondContact CG1-OD2 3.41Å; V912-D1014 HydrophobicContact CG2-CB 4.5Å; L924-D1014 WeakPolarHBondContact CB-O 3.46Å; L924-D1014 PolarHBondContact N-O 3.48Å; W1012-D1014 PolarHBondContact NE1-O 3.34Å; D1014-W1033 PolarHBondContact OD1-NE1 2.97Å
1015	R	93.8	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.6	176.5	64.8	-179.4	-46.2	-138.6	5.4	114.6	G499 S503 G852 L855 I922 D923 W1012 L1029	G499-R1015 WeakPolarHBondContact O-CD 3.48Å; G499-R1015 PolarHBondContact O-NH1 3.02Å; S503-R1015 PolarHBondContact OG-NH1 3.46Å; G852-R1015 PolarHBondContact O-NH1 2.96Å; L855-R1015 PolarHBondContact O-NH2 2.8Å; I922-R1015 CarbonylContact O-C 3.19Å; I922-R1015 VanDerWaalsContact O-CA 3.24Å; I922-R1015 WeakPolarHBondContact O-CA 3.37Å; D923-R1015 VanDerWaalsContact OD1-CB 3.32Å; D923-R1015 WeakPolarHBondContact OD1-CB 3.41Å; D923-R1015 IonicContact OD1-CZ 3.52Å; D923-R1015 VanDerWaalsContact OD1-CZ 3.32Å; D923-R1015 IonicContact OD1-NE 3.94Å; D923-R1015 PolarHBondContact OD1-NE 2.71Å; D923-R1015 IonicContact OD1-NH2 2.8Å; D923-R1015 PolarHBondContact OD1-NH2 2.99Å; W1012-R1015 HydrophobicContact CZ2-CB 4.39Å; R1015-L1029 HydrophobicContact CG-CD2 3.76Å
1016	R	92.8	Very high	94.3	Very high	29 Å²	29	27.3 Å²	27.3	11%	0.109	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.9	175.9	171.4	178.3	-176.5	142.5	13.2	110.1	I914 P919 D921 I922 L1029 H1030	I914-R1016 HydrophobicContact CD1-CB 3.76Å; P919-R1016 VanDerWaalsContact O-CD 3.3Å; P919-R1016 WeakPolarHBondContact O-CD 3.09Å; P919-R1016 PolarHBondContact O-NE 2.98Å; D921-R1016 CarbonylContact C-O 3.58Å; D921-R1016 VanDerWaalsContact CA-O 3.28Å; D921-R1016 WeakPolarHBondContact CA-O 3.26Å; I922-R1016 HydrophobicContact CG2-CB 3.99Å; I922-R1016 PolarHBondContact N-O 2.94Å; I922-R1016 PolarHBondContact O-N 3.39Å; R1016-L1029 WeakPolarHBondContact CA-O 3.24Å; R1016-L1029 WeakPolarHBondContact CG-O 3.36Å; R1016-H1030 WeakPolarHBondContact CD-O 3.12Å; R1016-H1030 PolarHBondContact NE-O 3.17Å; R1016-H1030 PolarHBondContact NH1-O 2.72Å; R1016-H1030 PolarHBondContact NH2-O 3.24Å
1017	S	92	Very high	94	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-127.1	133.1	173.7	-177.8	0	0	0	0	109.6	S851 R1019 N1028 L1029	S851-S1017 PolarHBondContact O-OG 3Å; S851-S1017 VanDerWaalsContact O-OG 3.05Å; S1017-R1019 VanDerWaalsContact C-N 3.32Å; S1017-R1019 PolarHBondContact OG-N 2.92Å; S1017-R1019 PolarHBondContact OG-O 3.41Å; S1017-N1028 WeakPolarHBondContact O-CB 3.47Å; S1017-L1029 PolarHBondContact N-O 2.94Å; S1017-L1029 CarbonylContact O-C 3.56Å; S1017-L1029 VanDerWaalsContact O-C 3.26Å; S1017-L1029 WeakPolarHBondContact O-CA 3.37Å; S1017-L1029 PolarHBondContact O-N 3.48Å
1018	S	89.8	Confident	93.6	Very high	51 Å²	51	27.1 Å²	27.1	36%	0.357	15%	0.15	S	C	.	.	S	Bend	trans	-85.8	-5.6	178.3	62.2	0	0	0	0	113.3	D921 N1028	D921-S1018 WeakPolarHBondContact OD1-CB 3.37Å; D921-S1018 PolarHBondContact OD1-N 3.43Å; D921-S1018 PolarHBondContact OD1-OG 2.89Å; S1018-N1028 VanDerWaalsContact C-CB 3.43Å; S1018-N1028 WeakPolarHBondContact O-CB 3.41Å; S1018-N1028 PolarHBondContact O-ND2 3.47Å
1019	R	90.3	Very high	93.3	Very high	61 Å²	61	26.4 Å²	26.4	23%	0.23	15%	0.147	C	C	.	.	S	Bend	trans	-123.5	154.7	-175.1	-65.6	178.5	-81.2	160.8	-1	112.2	S844 L845 H850 D921 S1017	S844-R1019 PolarHBondContact OG-NH2 3.04Å; S844-R1019 VanDerWaalsContact OG-NH2 3.08Å; L845-R1019 VanDerWaalsContact O-CZ 3.3Å; L845-R1019 PolarHBondContact O-NH1 3.16Å; L845-R1019 PolarHBondContact O-NH2 3.3Å; H850-R1019 VanDerWaalsContact CB-NH1 3.26Å; H850-R1019 PolarHBondContact CD2-NH1 3.22Å; H850-R1019 WeakPolarHBondContact CE1-CB 3.22Å; H850-R1019 VanDerWaalsContact CG-NH1 3.27Å; D921-R1019 IonicContact OD2-CZ 2.72Å; D921-R1019 IonicContact OD2-NE 2.58Å; D921-R1019 PolarHBondContact OD2-NE 2.84Å; D921-R1019 IonicContact OD2-NH2 3.96Å; D921-R1019 PolarHBondContact OD2-NH2 2.76Å; S1017-R1019 VanDerWaalsContact C-N 3.32Å; S1017-R1019 PolarHBondContact OG-N 2.92Å; S1017-R1019 PolarHBondContact OG-O 3.41Å
1020	D	92.8	Very high	92.4	Very high	39 Å²	39	30.2 Å²	30.2	21%	0.209	16%	0.164	C	C	.	.			trans	-89.5	125.3	170.7	174.6	73.8	0	0	0	109.3	H850 S1022 Q1026 S1027	H850-D1020 PolarHBondContact CE1-O 3.36Å; D1020-S1022 PolarHBondContact O-N 3.27Å; D1020-S1022 VanDerWaalsContact O-N 3.08Å; D1020-S1022 VanDerWaalsContact OD2-CA 3.27Å; D1020-S1022 WeakPolarHBondContact OD2-CA 3.41Å; D1020-S1022 PolarHBondContact OD2-N 2.94Å; D1020-Q1026 VanDerWaalsContact OD1-CA 3.23Å; D1020-Q1026 WeakPolarHBondContact OD1-CA 3.37Å; D1020-Q1026 PolarHBondContact OD1-N 3.41Å; D1020-S1027 PolarHBondContact OD1-N 2.9Å
1021	D	93.9	Very high	91	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.027	16%	0.164	C	C	.	.			trans	-75.9	13.3	-179.5	53.4	14.8	0	0	0	113.7	G852 A853 Y854 L855 R1023	G852-D1021 VanDerWaalsContact C-OD2 3.25Å; G852-D1021 VanDerWaalsContact CA-OD2 3.32Å; G852-D1021 WeakPolarHBondContact CA-OD2 3.45Å; A853-D1021 PolarHBondContact N-OD2 2.94Å; Y854-D1021 WeakPolarHBondContact CA-OD2 3.38Å; Y854-D1021 PolarHBondContact N-OD2 3.31Å; L855-D1021 HydrophobicContact CB-CB 4.28Å; L855-D1021 HydrophobicContact CD1-CB 4Å; L855-D1021 HydrophobicContact CG-CB 4.04Å; L855-D1021 PolarHBondContact N-OD2 3.31Å; D1021-R1023 PolarHBondContact O-N 3.48Å; D1021-R1023 PolarHBondContact O-NH1 2.85Å; D1021-R1023 PolarHBondContact OD1-N 2.83Å
1022	S	92	Very high	89.8	Confident	93 Å²	93	34.2 Å²	34.2	65%	0.65	18%	0.183	S	C	*	.	S	Bend	trans	57	32.1	178.2	-57.4	0	0	0	0	113.3	D1020	D1020-S1022 PolarHBondContact O-N 3.27Å; D1020-S1022 VanDerWaalsContact O-N 3.08Å; D1020-S1022 VanDerWaalsContact OD2-CA 3.27Å; D1020-S1022 WeakPolarHBondContact OD2-CA 3.41Å; D1020-S1022 PolarHBondContact OD2-N 2.94Å
1023	R	92.2	Very high	89.1	Confident	35 Å²	35	34.2 Å²	34.2	13%	0.132	18%	0.183	C	C	.	.	S	Bend	trans	-102.9	14.9	175.1	-64.9	-50.8	-169.5	-74.4	-0.8	114.4	D491 D495 W497 Y854 D1021	D491-R1023 IonicContact OD1-NH2 3.08Å; D491-R1023 PolarHBondContact OD1-NH2 2.72Å; D491-R1023 IonicContact OD2-CZ 2.73Å; D491-R1023 IonicContact OD2-NE 2.65Å; D491-R1023 PolarHBondContact OD2-NE 2.61Å; D491-R1023 IonicContact OD2-NH2 2.87Å; D495-R1023 IonicContact OD2-CZ 2.72Å; D495-R1023 IonicContact OD2-NH1 3.73Å; D495-R1023 IonicContact OD2-NH2 3.58Å; D495-R1023 PolarHBondContact OD2-NH2 2.8Å; W497-R1023 HydrophobicContact CH2-CB 4.43Å; W497-R1023 HydrophobicContact CZ2-CG 4.16Å; Y854-R1023 HydrophobicContact CD2-CB 3.38Å; Y854-R1023 HydrophobicContact CD2-CG 4.25Å; Y854-R1023 HydrophobicContact CE2-CB 3.64Å; Y854-R1023 HydrophobicContact CG-CB 4.03Å; D1021-R1023 PolarHBondContact O-N 3.48Å; D1021-R1023 PolarHBondContact O-NH1 2.85Å; D1021-R1023 PolarHBondContact OD1-N 2.83Å
1024	G	91.2	Very high	88.7	Confident	26 Å²	26	35.8 Å²	35.8	27%	0.268	19%	0.191	S	C	.	.	S	Bend	trans	116.8	-25.3	162.4	0	0	0	0	0	115.2	I175 Q1026	I175-G1024 VanDerWaalsContact CD1-O 3.27Å; I175-G1024 WeakPolarHBondContact CD1-O 3.47Å; G1024-Q1026 WeakPolarHBondContact O-CG 3.45Å; G1024-Q1026 PolarHBondContact O-N 2.99Å
1025	V	92.6	Very high	88.3	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.192	C	C	.	.			trans	-60.1	-33.7	178.4	173.4	0	0	0	0	112.3	T571 R573 A853 Y854 S1027	T571-V1025 WeakPolarHBondContact O-CG2 3.16Å; R573-V1025 HydrophobicContact CG-CG1 4.11Å; R573-V1025 WeakPolarHBondContact CG-O 3.25Å; R573-V1025 PolarHBondContact NE-O 2.9Å; R573-V1025 VanDerWaalsContact NE-O 3.12Å; A853-V1025 HydrophobicContact CB-CG2 4.46Å; Y854-V1025 HydrophobicContact CE2-CB 4.39Å; Y854-V1025 HydrophobicContact CE2-CG2 3.52Å; Y854-V1025 WeakPolarHBondContact OH-CG2 3.31Å; V1025-S1027 PolarHBondContact O-N 3.4Å
1026	Q	91.8	Very high	88.2	Confident	134 Å²	134	36.6 Å²	36.6	63%	0.626	20%	0.195	S	C	*	.			trans	58.7	37.6	-177.9	-60.2	169.3	-17.9	0	0	111.7	D1020 G1024	D1020-Q1026 VanDerWaalsContact OD1-CA 3.23Å; D1020-Q1026 WeakPolarHBondContact OD1-CA 3.37Å; D1020-Q1026 PolarHBondContact OD1-N 3.41Å; G1024-Q1026 WeakPolarHBondContact O-CG 3.45Å; G1024-Q1026 PolarHBondContact O-N 2.99Å
1027	S	92	Very high	88.2	Confident	26 Å²	26	35.6 Å²	35.6	18%	0.182	19%	0.192	C	C	.	.	S	Bend	trans	-151.4	156.8	-178.9	-157.3	0	0	0	0	110.8	P574 D1020 V1025	P574-S1027 WeakPolarHBondContact CD-OG 3.13Å; D1020-S1027 PolarHBondContact OD1-N 2.9Å; V1025-S1027 PolarHBondContact O-N 3.4Å
1028	N	89.7	Confident	88.4	Confident	39 Å²	39	38 Å²	38	21%	0.209	20%	0.203	C	C	.	.			trans	-92	167.1	175.2	61.3	-6.7	0	0	0	110.8	S1017 S1018 H1030	S1017-N1028 WeakPolarHBondContact O-CB 3.47Å; S1018-N1028 VanDerWaalsContact C-CB 3.43Å; S1018-N1028 WeakPolarHBondContact O-CB 3.41Å; S1018-N1028 PolarHBondContact O-ND2 3.47Å; N1028-H1030 PolarHBondContact ND2-CE1 3.05Å; N1028-H1030 VanDerWaalsContact ND2-CE1 3.28Å; N1028-H1030 PolarHBondContact ND2-NE2 3.4Å; N1028-H1030 VanDerWaalsContact ND2-NE2 3.14Å; N1028-H1030 PolarHBondContact OD1-CD2 3.4Å; N1028-H1030 PolarHBondContact OD1-NE2 3.32Å
1029	L	90.5	Very high	88.8	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-99.2	88.8	178.6	-175.9	70.8	0	0	0	110.1	Y504 R1015 R1016 S1017 G1031 W1033	Y504-L1029 HydrophobicContact CD2-CD1 3.55Å; Y504-L1029 HydrophobicContact CE2-CD1 3.21Å; Y504-L1029 HydrophobicContact CG-CD1 4.5Å; R1015-L1029 HydrophobicContact CG-CD2 3.76Å; R1016-L1029 WeakPolarHBondContact CA-O 3.24Å; R1016-L1029 WeakPolarHBondContact CG-O 3.36Å; S1017-L1029 PolarHBondContact N-O 2.94Å; S1017-L1029 CarbonylContact O-C 3.56Å; S1017-L1029 VanDerWaalsContact O-C 3.26Å; S1017-L1029 WeakPolarHBondContact O-CA 3.37Å; S1017-L1029 PolarHBondContact O-N 3.48Å; L1029-G1031 VanDerWaalsContact C-N 3.33Å; L1029-G1031 PolarHBondContact O-N 3.28Å; L1029-W1033 HydrophobicContact CD1-CH2 3.74Å; L1029-W1033 HydrophobicContact CD1-CZ2 4.03Å; L1029-W1033 HydrophobicContact CG-CH2 4.37Å; L1029-W1033 HydrophobicContact CG-CZ2 4.42Å
1030	H	79.9	Confident	89.2	Confident	82 Å²	82	33 Å²	33	38%	0.38	18%	0.177	S	C	.	.			trans	-67.6	-19.4	-170.2	-87.8	-73.3	0	0	0	116.4	R1016 N1028 E1032	R1016-H1030 WeakPolarHBondContact CD-O 3.12Å; R1016-H1030 PolarHBondContact NE-O 3.17Å; R1016-H1030 PolarHBondContact NH1-O 2.72Å; R1016-H1030 PolarHBondContact NH2-O 3.24Å; N1028-H1030 PolarHBondContact ND2-CE1 3.05Å; N1028-H1030 VanDerWaalsContact ND2-CE1 3.28Å; N1028-H1030 PolarHBondContact ND2-NE2 3.4Å; N1028-H1030 VanDerWaalsContact ND2-NE2 3.14Å; N1028-H1030 PolarHBondContact OD1-CD2 3.4Å; N1028-H1030 PolarHBondContact OD1-NE2 3.32Å; H1030-E1032 HydrophobicContact CB-CG 4.17Å
1031	G	69.1	Low	89.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.			trans	60	50.1	174.9	0	0	0	0	0	113.8	L1029	L1029-G1031 VanDerWaalsContact C-N 3.33Å; L1029-G1031 PolarHBondContact O-N 3.28Å
1032	E	72.8	Confident	89.5	Confident	87 Å²	87	31.1 Å²	31.1	41%	0.407	17%	0.167	S	C	.	.			trans	-99.7	24.8	-177.2	-60.4	-155.8	155.2	0	0	114	Y663 K915 H1030	Y663-E1032 WeakPolarHBondContact CB-O 3.16Å; K915-E1032 WeakPolarHBondContact CE-O 3.22Å; K915-E1032 PolarHBondContact NZ-O 3.01Å; H1030-E1032 HydrophobicContact CB-CG 4.17Å
1033	W	82.6	Confident	89.6	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.015	14%	0.142	C	C	.	.			trans	-108.1	154.4	178.2	35.8	83.9	0	0	0	110.8	Y504 Y506 Y663 D1014 L1029	Y504-W1033 HydrophobicContact CD1-CE3 4.02Å; Y504-W1033 AromaticContact CD1-CH2 3.46Å; Y504-W1033 HydrophobicContact CD1-CH2 3.46Å; Y504-W1033 VanDerWaalsContact CD1-CH2 3.46Å; Y504-W1033 HydrophobicContact CD1-CZ2 4.14Å; Y504-W1033 AromaticContact CD1-CZ3 3.43Å; Y504-W1033 HydrophobicContact CD1-CZ3 3.43Å; Y504-W1033 VanDerWaalsContact CD1-CZ3 3.43Å; Y504-W1033 HydrophobicContact CD2-CH2 4.1Å; Y504-W1033 HydrophobicContact CE1-CE3 4.14Å; Y504-W1033 AromaticContact CE1-CH2 3.39Å; Y504-W1033 HydrophobicContact CE1-CH2 3.39Å; Y504-W1033 HydrophobicContact CE1-CZ2 4.46Å; Y504-W1033 AromaticContact CE1-CZ3 3.21Å; Y504-W1033 HydrophobicContact CE1-CZ3 3.21Å; Y504-W1033 HydrophobicContact CE2-CH2 4.04Å; Y504-W1033 AromaticContact CG-CH2 3.83Å; Y504-W1033 HydrophobicContact CG-CH2 3.83Å; Y504-W1033 HydrophobicContact CG-CZ2 4.19Å; Y504-W1033 HydrophobicContact CG-CZ3 4.26Å; Y504-W1033 AromaticContact CZ-CH2 3.68Å; Y504-W1033 AromaticContact CZ-CZ3 3.89Å; Y506-W1033 HydrophobicContact CG-CB 4.22Å; Y663-W1033 HydrophobicContact CD1-CB 4.42Å; Y663-W1033 HydrophobicContact CD1-CE3 4.35Å; Y663-W1033 HydrophobicContact CE1-CE3 4.21Å; D1014-W1033 PolarHBondContact OD1-NE1 2.97Å; L1029-W1033 HydrophobicContact CD1-CH2 3.74Å; L1029-W1033 HydrophobicContact CD1-CZ2 4.03Å; L1029-W1033 HydrophobicContact CG-CH2 4.37Å; L1029-W1033 HydrophobicContact CG-CZ2 4.42Å
1034	I	86.7	Confident	89.4	Confident	35 Å²	35	26.2 Å²	26.2	18%	0.179	14%	0.136	C	C	.	.			trans	-108.4	118.4	164.2	-61.1	175	0	0	0	105.4	V911 V912 N913	V911-I1034 HydrophobicContact CG1-CG2 3.87Å; V912-I1034 WeakPolarHBondContact O-CA 3.39Å; V912-I1034 WeakPolarHBondContact O-CG2 3.26Å; N913-I1034 HydrophobicContact CB-CG1 4.26Å
1035	V	86.6	Confident	89.3	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.8	-175.5	64	0	0	0	0	110.9	P505 V911 V912	P505-V1035 HydrophobicContact CB-CG1 4.33Å; P505-V1035 HydrophobicContact CB-CG2 4.09Å; P505-V1035 HydrophobicContact CG-CB 4.29Å; P505-V1035 HydrophobicContact CG-CG1 3.87Å; P505-V1035 HydrophobicContact CG-CG2 4.36Å; V911-V1035 WeakPolarHBondContact CA-O 3.25Å; V912-V1035 HydrophobicContact CB-CG1 4.14Å; V912-V1035 PolarHBondContact N-O 3.2Å; V912-V1035 PolarHBondContact O-N 3.26Å
1036	K	91.2	Very high	89.1	Confident	15 Å²	15	25.2 Å²	25.2	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.4	171.7	-177.2	176.2	63.6	-161.7	0	108.8	D658 Y665 S666 E909 N910 V911 Q1038	D658-K1036 IonicContact OD2-NZ 3.26Å; D658-K1036 PolarHBondContact OD2-NZ 3.22Å; Y665-K1036 HydrophobicContact CD2-CB 4.31Å; Y665-K1036 HydrophobicContact CE2-CB 3.85Å; Y665-K1036 HydrophobicContact CE2-CD 3.74Å; Y665-K1036 HydrophobicContact CE2-CG 4.1Å; S666-K1036 PolarHBondContact OG-NZ 3.4Å; E909-K1036 HydrophobicContact CG-CD 4.22Å; E909-K1036 HydrophobicContact CG-CG 3.9Å; N910-K1036 CarbonylContact O-C 3.59Å; N910-K1036 WeakPolarHBondContact O-CA 3.24Å; V911-K1036 HydrophobicContact CG2-CG 4.45Å; K1036-Q1038 HydrophobicContact CD-CG 4.31Å; K1036-Q1038 HydrophobicContact CG-CG 4.12Å
1037	S	93.3	Very high	88.7	Confident	8 Å²	8	19.2 Å²	19.2	6%	0.056	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.7	167.9	77.4	0	0	0	0	109.8	E909 N910	E909-S1037 CarbonylContact C-O 3.29Å; E909-S1037 WeakPolarHBondContact CA-O 3.43Å; N910-S1037 VanDerWaalsContact CB-OG 3.27Å; N910-S1037 WeakPolarHBondContact CB-OG 3.43Å; N910-S1037 PolarHBondContact N-O 3.22Å; N910-S1037 PolarHBondContact ND2-OG 3.21Å; N910-S1037 VanDerWaalsContact ND2-OG 3.14Å; N910-S1037 PolarHBondContact O-N 2.99Å
1038	Q	95.7	Very high	88.2	Confident	52 Å²	52	19 Å²	19	24%	0.243	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.4	173.5	-67	178	-42.8	0	0	108.7	I908 E909 S996 K1036 L1068	I908-Q1038 CarbonylContact O-C 3.57Å; I908-Q1038 WeakPolarHBondContact O-CA 3.4Å; E909-Q1038 HydrophobicContact CG-CG 4.47Å; S996-Q1038 PolarHBondContact N-O 3.04Å; S996-Q1038 PolarHBondContact OG-N 3.44Å; S996-Q1038 PolarHBondContact OG-O 3.13Å; K1036-Q1038 HydrophobicContact CD-CG 4.31Å; K1036-Q1038 HydrophobicContact CG-CG 4.12Å; Q1038-L1068 HydrophobicContact CB-CD1 4.13Å
1039	L	98.2	Very high	87.6	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.1	-178.7	-47.8	92	0	0	0	110.8	I908 M926 L993 F994 T995 V1011	I908-L1039 HydrophobicContact CB-CB 4.21Å; I908-L1039 HydrophobicContact CB-CD1 4.3Å; I908-L1039 HydrophobicContact CG2-CD1 3.95Å; I908-L1039 PolarHBondContact N-O 2.95Å; I908-L1039 PolarHBondContact O-N 3.22Å; M926-L1039 HydrophobicContact CE-CD1 4.32Å; M926-L1039 HydrophobicContact CE-CD2 3.77Å; L993-L1039 HydrophobicContact CD1-CB 4.23Å; L993-L1039 HydrophobicContact CD1-CD2 3.73Å; L993-L1039 HydrophobicContact CG-CD2 4.42Å; F994-L1039 CarbonylContact O-C 3.58Å; F994-L1039 WeakPolarHBondContact O-CA 3.19Å; F994-L1039 VanDerWaalsContact O-CB 3.29Å; F994-L1039 WeakPolarHBondContact O-CB 3.27Å; T995-L1039 HydrophobicContact CG2-CD2 3.79Å; T995-L1039 HydrophobicContact CG2-CG 4.24Å; V1011-L1039 HydrophobicContact CG1-CD2 4.14Å; V1011-L1039 HydrophobicContact CG2-CD2 4.35Å
1040	H	98.1	Very high	86.7	Confident	7 Å²	7	24 Å²	24	3%	0.032	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.3	169	-66.5	174	0	0	0	109	F905 I906 F994 I1064	F905-H1040 HydrophobicContact CD2-CB 4.05Å; F905-H1040 AromaticContact CD2-CD2 3.75Å; F905-H1040 AromaticContact CD2-CG 3.7Å; F905-H1040 AromaticContact CE2-CD2 3.49Å; F905-H1040 VanDerWaalsContact CE2-CD2 3.49Å; F905-H1040 WeakPolarHBondContact CE2-CD2 3.19Å; F905-H1040 AromaticContact CE2-CE1 3.49Å; F905-H1040 VanDerWaalsContact CE2-CE1 3.49Å; F905-H1040 WeakPolarHBondContact CE2-CE1 3.4Å; F905-H1040 AromaticContact CE2-CG 3.71Å; F905-H1040 AromaticContact CE2-ND1 3.7Å; F905-H1040 AromaticContact CE2-NE2 3.37Å; F905-H1040 WeakPolarHBondContact CE2-NE2 3.25Å; F905-H1040 HydrophobicContact CG-CB 4.39Å; F905-H1040 AromaticContact CZ-CE1 3.53Å; F905-H1040 AromaticContact CZ-ND1 3.84Å; F905-H1040 AromaticContact CZ-NE2 3.84Å; I906-H1040 WeakPolarHBondContact O-CA 3.12Å; F994-H1040 HydrophobicContact CB-CB 4.45Å; F994-H1040 PolarHBondContact N-O 3.39Å; F994-H1040 PolarHBondContact O-N 3.35Å; H1040-I1064 HydrophobicContact CB-CG2 3.72Å; H1040-I1064 WeakPolarHBondContact ND1-CG2 3.5Å; H1040-I1064 PolarHBondContact ND1-O 2.92Å
1041	L	97.9	Very high	86.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	179.4	-176.1	69.9	0	0	0	109.8	M835 I906 I908 I928 L991 N992 L993	M835-L1041 HydrophobicContact CE-CD2 4.33Å; M835-L1041 HydrophobicContact CG-CD2 4.13Å; M835-L1041 HydrophobicContact SD-CD2 3.66Å; M835-L1041 HydrophobicContact SD-CG 4.3Å; I906-L1041 HydrophobicContact CB-CB 4.33Å; I906-L1041 WeakPolarHBondContact CB-O 3.45Å; I906-L1041 WeakPolarHBondContact CG1-O 3.49Å; I906-L1041 PolarHBondContact N-O 2.76Å; I906-L1041 PolarHBondContact O-N 2.94Å; I908-L1041 HydrophobicContact CD1-CB 3.93Å; I908-L1041 HydrophobicContact CD1-CD2 3.93Å; I928-L1041 HydrophobicContact CD1-CD1 3.98Å; I928-L1041 HydrophobicContact CD1-CD2 4.2Å; I928-L1041 HydrophobicContact CG2-CD2 4.39Å; L991-L1041 HydrophobicContact CD1-CD1 3.63Å; L991-L1041 HydrophobicContact CD1-CG 4.14Å; L991-L1041 HydrophobicContact CD2-CD1 4.24Å; L991-L1041 HydrophobicContact CG-CD1 3.92Å; N992-L1041 WeakPolarHBondContact O-CA 3.32Å; N992-L1041 WeakPolarHBondContact O-CD1 3.2Å; L993-L1041 HydrophobicContact CB-CD1 4.36Å; L993-L1041 HydrophobicContact CD1-CD1 4.12Å
1042	F	95.3	Very high	86.1	Confident	5 Å²	5	25 Å²	25	2%	0.022	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	162.5	177.1	66.2	-77.7	0	0	0	111.9	F905 N992 F994 E1044 F1060 S1061 I1064	F905-F1042 HydrophobicContact CB-CB 3.89Å; F905-F1042 HydrophobicContact CB-CD1 4.17Å; F905-F1042 HydrophobicContact CB-CG 4.29Å; N992-F1042 HydrophobicContact CB-CD1 3.98Å; N992-F1042 HydrophobicContact CB-CD2 4.48Å; N992-F1042 HydrophobicContact CB-CE1 3.43Å; N992-F1042 VanDerWaalsContact CB-CE1 3.43Å; N992-F1042 HydrophobicContact CB-CE2 4Å; N992-F1042 HydrophobicContact CB-CG 4.47Å; N992-F1042 HydrophobicContact CB-CZ 3.43Å; N992-F1042 VanDerWaalsContact CB-CZ 3.43Å; N992-F1042 PolarHBondContact N-O 3.42Å; N992-F1042 VanDerWaalsContact ND2-CE2 3.28Å; N992-F1042 WeakPolarHBondContact ND2-CE2 3.47Å; N992-F1042 WeakPolarHBondContact ND2-CZ 3.49Å; N992-F1042 PolarHBondContact O-N 2.71Å; F994-F1042 AromaticContact CD2-CE1 3.9Å; F994-F1042 HydrophobicContact CD2-CE1 3.9Å; F994-F1042 AromaticContact CE2-CE1 3.44Å; F994-F1042 HydrophobicContact CE2-CE1 3.44Å; F994-F1042 VanDerWaalsContact CE2-CE1 3.44Å; F994-F1042 AromaticContact CE2-CZ 3.72Å; F994-F1042 HydrophobicContact CE2-CZ 3.72Å; F994-F1042 HydrophobicContact CZ-CE1 4.08Å; F994-F1042 HydrophobicContact CZ-CZ 4.08Å; F1042-E1044 HydrophobicContact CE2-CG 4.46Å; F1042-F1060 AromaticContact CD2-CE1 3.97Å; F1042-F1060 HydrophobicContact CD2-CE1 3.97Å; F1042-F1060 HydrophobicContact CE2-CD1 4.11Å; F1042-F1060 AromaticContact CE2-CE1 3.95Å; F1042-F1060 HydrophobicContact CE2-CE1 3.95Å; F1042-S1061 VanDerWaalsContact CE2-OG 3.22Å; F1042-S1061 WeakPolarHBondContact CE2-OG 3.33Å; F1042-S1061 WeakPolarHBondContact CZ-OG 3.31Å; F1042-I1064 HydrophobicContact CD1-CD1 3.78Å; F1042-I1064 HydrophobicContact CD1-CG2 4.22Å; F1042-I1064 HydrophobicContact CD2-CD1 3.93Å; F1042-I1064 HydrophobicContact CE1-CB 4.21Å; F1042-I1064 HydrophobicContact CE1-CD1 3.68Å; F1042-I1064 HydrophobicContact CE1-CG2 3.91Å; F1042-I1064 HydrophobicContact CE2-CD1 3.82Å; F1042-I1064 HydrophobicContact CG-CD1 3.91Å; F1042-I1064 HydrophobicContact CZ-CD1 3.71Å
1043	T	93.6	Very high	86	Confident	20 Å²	20	25.1 Å²	25.1	12%	0.123	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.4	176.5	62.1	0	0	0	0	111.1	M824 M833 R990 L991	M824-T1043 HydrophobicContact CE-CG2 3.34Å; M824-T1043 WeakPolarHBondContact CE-OG1 3.41Å; M833-T1043 HydrophobicContact CE-CG2 3.78Å; M833-T1043 HydrophobicContact SD-CG2 3.61Å; R990-T1043 CarbonylContact O-C 3.52Å; R990-T1043 WeakPolarHBondContact O-CA 3.1Å; L991-T1043 HydrophobicContact CD1-CG2 3.79Å
1044	E	89.7	Confident	86	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.5	172.1	58.9	-178.9	164.3	0	0	111	R990 N992 F1042 I1046 T1058 S1061 Y1139	R990-E1044 HydrophobicContact CB-CG 4.16Å; R990-E1044 PolarHBondContact N-O 2.96Å; R990-E1044 IonicContact NH1-OE1 3.01Å; R990-E1044 PolarHBondContact O-N 2.84Å; N992-E1044 WeakPolarHBondContact ND2-CG 3.17Å; N992-E1044 PolarHBondContact ND2-OE1 2.8Å; F1042-E1044 HydrophobicContact CE2-CG 4.46Å; E1044-I1046 HydrophobicContact CG-CG2 3.81Å; E1044-T1058 WeakPolarHBondContact OE2-CB 3.28Å; E1044-T1058 WeakPolarHBondContact OE2-CG2 3.42Å; E1044-T1058 PolarHBondContact OE2-OG1 3.07Å; E1044-S1061 PolarHBondContact OE1-OG 3.39Å; E1044-S1061 PolarHBondContact OE2-OG 3.43Å; E1044-S1061 VanDerWaalsContact OE2-OG 3.12Å; E1044-Y1139 HydrophobicContact CB-CE2 4.17Å
1045	I	88.7	Confident	86.1	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	167.2	-47	-176.1	0	0	0	107.3	M976 Y988 Y1139 A1140 L1143	M976-I1045 HydrophobicContact CE-CD1 4.38Å; M976-I1045 HydrophobicContact SD-CD1 4.29Å; M976-I1045 HydrophobicContact SD-CG2 3.53Å; M976-I1045 VanDerWaalsContact SD-CG2 3.53Å; Y988-I1045 CarbonylContact O-C 3.53Å; Y988-I1045 VanDerWaalsContact O-CA 3.3Å; Y988-I1045 WeakPolarHBondContact O-CA 3.41Å; Y988-I1045 WeakPolarHBondContact O-CG2 3.47Å; I1045-Y1139 WeakPolarHBondContact O-CD2 3.45Å; I1045-A1140 HydrophobicContact CB-CB 3.92Å; I1045-A1140 HydrophobicContact CG2-CB 3.7Å; I1045-A1140 WeakPolarHBondContact O-CB 3.27Å; I1045-A1140 PolarHBondContact O-N 3.22Å; I1045-L1143 HydrophobicContact CB-CD1 3.78Å; I1045-L1143 HydrophobicContact CD1-CD1 3.95Å; I1045-L1143 HydrophobicContact CD1-CD2 4.13Å; I1045-L1143 HydrophobicContact CG1-CD1 3.96Å
1046	I	87.2	Confident	86.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.2	-176.9	65.9	-179.7	0	0	0	110.4	Q987 Y988 E1044 I1048 T1058 V1137 C1138	Q987-I1046 VanDerWaalsContact CA-O 3.3Å; Q987-I1046 WeakPolarHBondContact CA-O 3.49Å; Y988-I1046 HydrophobicContact CD2-CG1 4.47Å; Y988-I1046 PolarHBondContact N-O 3.46Å; Y988-I1046 PolarHBondContact O-N 3.24Å; E1044-I1046 HydrophobicContact CG-CG2 3.81Å; I1046-I1048 HydrophobicContact CD1-CD1 3.75Å; I1046-I1048 HydrophobicContact CD1-CG1 4.05Å; I1046-I1048 HydrophobicContact CG1-CD1 4.38Å; I1046-I1048 HydrophobicContact CG1-CG1 4.24Å; I1046-T1058 HydrophobicContact CB-CG2 4.4Å; I1046-T1058 HydrophobicContact CG2-CG2 3.41Å; I1046-T1058 VanDerWaalsContact CG2-CG2 3.41Å; I1046-V1137 HydrophobicContact CD1-CG2 4.46Å; I1046-C1138 CarbonylContact C-O 3.59Å; I1046-C1138 VanDerWaalsContact CA-O 3.27Å; I1046-C1138 WeakPolarHBondContact CA-O 3.25Å; I1046-C1138 WeakPolarHBondContact CB-O 3.18Å
1047	S	83.3	Confident	86.3	Confident	8 Å²	8	24.9 Å²	24.9	6%	0.056	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.5	174.8	-72.5	0	0	0	0	108.1	K986 C1138 A1140	K986-S1047 CarbonylContact O-C 3.54Å; K986-S1047 WeakPolarHBondContact O-CA 3.08Å; S1047-C1138 PolarHBondContact N-O 3.36Å; S1047-C1138 WeakPolarHBondContact O-CB 3.21Å; S1047-C1138 PolarHBondContact O-N 2.76Å; S1047-A1140 WeakPolarHBondContact OG-CA 3.29Å
1048	I	81.4	Confident	86.1	Confident	20 Å²	20	24.5 Å²	24.5	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	-177	-54.4	-176.3	0	0	0	107.9	V985 K986 Y988 I1046 Q1052 V1137	V985-I1048 CarbonylContact C-O 3.52Å; V985-I1048 VanDerWaalsContact CA-O 3.31Å; V985-I1048 WeakPolarHBondContact CA-O 3.31Å; V985-I1048 WeakPolarHBondContact CG1-O 3.48Å; K986-I1048 PolarHBondContact N-O 2.92Å; K986-I1048 PolarHBondContact O-N 3.12Å; Y988-I1048 HydrophobicContact CD2-CB 4.45Å; Y988-I1048 HydrophobicContact CD2-CD1 3.74Å; Y988-I1048 HydrophobicContact CD2-CG1 4.02Å; Y988-I1048 HydrophobicContact CE2-CB 4.23Å; Y988-I1048 HydrophobicContact CE2-CD1 3.87Å; Y988-I1048 HydrophobicContact CE2-CG1 4.22Å; I1046-I1048 HydrophobicContact CD1-CD1 3.75Å; I1046-I1048 HydrophobicContact CD1-CG1 4.05Å; I1046-I1048 HydrophobicContact CG1-CD1 4.38Å; I1046-I1048 HydrophobicContact CG1-CG1 4.24Å; I1048-Q1052 HydrophobicContact CG2-CB 3.88Å; I1048-Q1052 HydrophobicContact CG2-CG 4.17Å; I1048-V1137 HydrophobicContact CD1-CG1 4.26Å; I1048-V1137 HydrophobicContact CG1-CB 4.45Å; I1048-V1137 HydrophobicContact CG1-CG1 3.94Å
1049	D	77.6	Confident	85.6	Confident	63 Å²	63	22.5 Å²	22.5	34%	0.337	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.2	171.7	-163.9	-41.9	0	0	0	109.6	H984 T1051 Q1052	H984-D1049 CarbonylContact O-C 3.56Å; H984-D1049 WeakPolarHBondContact O-CA 3.22Å; D1049-T1051 VanDerWaalsContact CG-OG1 3.25Å; D1049-T1051 PolarHBondContact O-N 3.31Å; D1049-T1051 PolarHBondContact OD1-N 2.97Å; D1049-T1051 PolarHBondContact OD1-OG1 3.48Å; D1049-T1051 VanDerWaalsContact OD1-OG1 3.1Å; D1049-Q1052 HydrophobicContact CB-CB 4.26Å; D1049-Q1052 PolarHBondContact O-N 3.47Å
1050	K	73	Confident	85	Confident	84 Å²	84	22.7 Å²	22.7	37%	0.365	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.7	175.5	-74.2	-179.3	174.6	178.4	0	112	D981 S983 H984 K986	D981-K1050 PolarHBondContact O-NZ 3.21Å; D981-K1050 IonicContact OD1-NZ 3.32Å; D981-K1050 PolarHBondContact OD1-NZ 3.4Å; S983-K1050 WeakPolarHBondContact O-CE 3.46Å; S983-K1050 PolarHBondContact O-NZ 2.72Å; S983-K1050 VanDerWaalsContact O-NZ 3.16Å; H984-K1050 PolarHBondContact O-N 2.72Å; K986-K1050 HydrophobicContact CG-CG 4.13Å
1051	T	67.4	Low	84.8	Confident	75 Å²	75	22.3 Å²	22.3	46%	0.46	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.5	175.1	60.9	0	0	0	0	114	D1049 T1053	D1049-T1051 VanDerWaalsContact CG-OG1 3.25Å; D1049-T1051 PolarHBondContact O-N 3.31Å; D1049-T1051 PolarHBondContact OD1-N 2.97Å; D1049-T1051 PolarHBondContact OD1-OG1 3.48Å; D1049-T1051 VanDerWaalsContact OD1-OG1 3.1Å; T1051-T1053 PolarHBondContact O-N 3.43Å
1052	Q	68.8	Low	84.5	Confident	27 Å²	27	23 Å²	23	13%	0.126	13%	0.126	C	C	.	.			trans	-83.5	109.9	-177.7	-176.7	177.6	6.1	0	0	110.7	I113 I1048 D1049 V1137	I113-Q1052 HydrophobicContact CD1-CG 4.25Å; I1048-Q1052 HydrophobicContact CG2-CB 3.88Å; I1048-Q1052 HydrophobicContact CG2-CG 4.17Å; D1049-Q1052 HydrophobicContact CB-CB 4.26Å; D1049-Q1052 PolarHBondContact O-N 3.47Å; Q1052-V1137 VanDerWaalsContact NE2-CG1 3.27Å
1053	T	70.7	Confident	84.2	Confident	90 Å²	90	23.6 Å²	23.6	55%	0.552	13%	0.129	S	C	*	.			trans	-102.1	-10.3	-178.4	54.8	0	0	0	0	114.1	Y117 T1051	Y117-T1053 PolarHBondContact O-OG1 3.07Å; T1051-T1053 PolarHBondContact O-N 3.43Å
1054	I	81.5	Confident	84.2	Confident	11 Å²	11	22.6 Å²	22.6	6%	0.056	12%	0.123	C	C	.	.	S	Bend	trans	-84.3	126.9	-173.2	-54.9	148.1	0	0	0	110.5	Y117 W330 S1056	Y117-I1054 HydrophobicContact CD1-CD1 3.77Å; Y117-I1054 HydrophobicContact CD2-CD1 3.18Å; Y117-I1054 HydrophobicContact CE1-CD1 4.3Å; Y117-I1054 HydrophobicContact CE2-CD1 3.69Å; Y117-I1054 HydrophobicContact CG-CD1 3.19Å; Y117-I1054 HydrophobicContact CG-CG1 4.36Å; W330-I1054 HydrophobicContact CB-CD1 3.23Å; W330-I1054 HydrophobicContact CB-CG1 3.77Å; W330-I1054 HydrophobicContact CB-CG2 4.22Å; I1054-S1056 PolarHBondContact O-N 3.15Å
1055	P	89.5	Confident	84.5	Confident	24 Å²	24	23.2 Å²	23.2	16%	0.156	13%	0.126	C	C	.	.			trans	-62.2	117.5	170.1	-18.6	31.9	0	0	0	110.6	Y940 F948 Y971	Y940-P1055 HydrophobicContact CD1-CB 3.59Å; Y940-P1055 HydrophobicContact CD1-CG 3.77Å; Y940-P1055 HydrophobicContact CE1-CB 3.87Å; Y940-P1055 HydrophobicContact CE1-CG 3.73Å; F948-P1055 HydrophobicContact CB-CB 3.87Å; Y971-P1055 VanDerWaalsContact OH-CB 3.26Å; Y971-P1055 WeakPolarHBondContact OH-CB 2.96Å
1056	S	88.9	Confident	84.7	Confident	7 Å²	7	24 Å²	24	5%	0.049	13%	0.13	C	C	.	.			trans	-142.1	164.6	176	85.4	0	0	0	0	112.7	R990 I1054 A1135 V1137	R990-S1056 PolarHBondContact NH1-O 2.9Å; R990-S1056 PolarHBondContact NH2-O 2.76Å; I1054-S1056 PolarHBondContact O-N 3.15Å; S1056-A1135 WeakPolarHBondContact CB-O 3.3Å; S1056-A1135 PolarHBondContact OG-O 3.05Å; S1056-V1137 WeakPolarHBondContact O-CG2 3.21Å; S1056-V1137 WeakPolarHBondContact OG-CG1 3.48Å; S1056-V1137 PolarHBondContact OG-N 3.46Å
1057	L	92.2	Very high	85	Confident	9 Å²	9	24.7 Å²	24.7	5%	0.047	13%	0.134	C	C	.	.			trans	-90.7	150.4	177.1	-64.1	-175.7	0	0	0	110.6	F948 Y971 F994 Q1062 L1065 P1136 V1137	F948-L1057 HydrophobicContact CD2-CD2 4.31Å; F948-L1057 HydrophobicContact CD2-CG 4.06Å; F948-L1057 HydrophobicContact CE1-CD2 4.37Å; F948-L1057 HydrophobicContact CE2-CD1 3.52Å; F948-L1057 HydrophobicContact CE2-CD2 3.74Å; F948-L1057 HydrophobicContact CE2-CG 3.45Å; F948-L1057 VanDerWaalsContact CE2-CG 3.45Å; F948-L1057 HydrophobicContact CZ-CD1 3.85Å; F948-L1057 HydrophobicContact CZ-CD2 3.76Å; F948-L1057 HydrophobicContact CZ-CG 3.94Å; Y971-L1057 HydrophobicContact CD1-CD2 4.1Å; Y971-L1057 HydrophobicContact CE1-CD2 4.12Å; F994-L1057 HydrophobicContact CE1-CD1 4.15Å; F994-L1057 HydrophobicContact CE1-CD2 4.29Å; F994-L1057 HydrophobicContact CZ-CD1 3.9Å; F994-L1057 HydrophobicContact CZ-CD2 4.18Å; L1057-Q1062 HydrophobicContact CB-CG 3.83Å; L1057-Q1062 HydrophobicContact CD1-CG 4.19Å; L1057-Q1062 PolarHBondContact O-NE2 2.03Å; L1057-L1065 HydrophobicContact CD1-CD2 4.46Å; L1057-P1136 VanDerWaalsContact O-CA 3.26Å; L1057-P1136 WeakPolarHBondContact O-CA 3.09Å; L1057-V1137 PolarHBondContact O-N 2.84Å
1058	T	89	Confident	85.6	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-64.3	160.9	163	67.3	0	0	0	0	109.6	E1044 I1046 F1060 S1061 Q1062 V1137	E1044-T1058 WeakPolarHBondContact OE2-CB 3.28Å; E1044-T1058 WeakPolarHBondContact OE2-CG2 3.42Å; E1044-T1058 PolarHBondContact OE2-OG1 3.07Å; I1046-T1058 HydrophobicContact CB-CG2 4.4Å; I1046-T1058 HydrophobicContact CG2-CG2 3.41Å; I1046-T1058 VanDerWaalsContact CG2-CG2 3.41Å; T1058-F1060 PolarHBondContact O-N 3.25Å; T1058-S1061 WeakPolarHBondContact O-CB 3.27Å; T1058-S1061 PolarHBondContact O-N 3.28Å; T1058-S1061 WeakPolarHBondContact OG1-CB 3.25Å; T1058-S1061 PolarHBondContact OG1-N 2.74Å; T1058-S1061 VanDerWaalsContact OG1-N 3.1Å; T1058-S1061 PolarHBondContact OG1-OG 3.43Å; T1058-Q1062 WeakPolarHBondContact O-CG 3.25Å; T1058-Q1062 PolarHBondContact O-N 3.48Å; T1058-V1137 HydrophobicContact CG2-CG2 3.88Å
1059	I	85.6	Confident	86.3	Confident	9 Å²	9	25.3 Å²	25.3	5%	0.046	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-38.6	175.1	-162.1	72.7	0	0	0	111.8	S1061 Q1062 H1063 C1100 D1101 P1136 F1148 Y1149	I1059-S1061 PolarHBondContact O-N 2.8Å; I1059-Q1062 WeakPolarHBondContact O-CB 3.28Å; I1059-Q1062 PolarHBondContact O-N 3.32Å; I1059-Q1062 VanDerWaalsContact O-N 3.15Å; I1059-H1063 PolarHBondContact O-CD2 3.38Å; I1059-H1063 PolarHBondContact O-N 3.39Å; I1059-H1063 VanDerWaalsContact O-N 3.1Å; I1059-C1100 WeakPolarHBondContact CD1-O 3.44Å; I1059-C1100 HydrophobicContact CG1-CB 4.22Å; I1059-C1100 VanDerWaalsContact CG1-O 3.23Å; I1059-C1100 WeakPolarHBondContact CG1-O 3.49Å; I1059-D1101 HydrophobicContact CD1-CB 4.38Å; I1059-P1136 HydrophobicContact CB-CB 4.06Å; I1059-P1136 HydrophobicContact CB-CG 4.44Å; I1059-P1136 HydrophobicContact CD1-CB 4.41Å; I1059-P1136 HydrophobicContact CD1-CG 4.37Å; I1059-F1148 HydrophobicContact CG2-CE1 4.07Å; I1059-Y1149 HydrophobicContact CG2-CD1 4.29Å; I1059-Y1149 HydrophobicContact CG2-CE1 3.53Å
1060	F	86.6	Confident	87.1	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.022	13%	0.126	C	C	.	.	H	α-helix	trans	-57.2	-48.6	175.4	173.6	-104.8	0	0	0	111.6	L901 Q904 F1042 T1058 Q1062 H1063 I1064 F1148 Y1149	L901-F1060 HydrophobicContact CD1-CD2 3.79Å; L901-F1060 HydrophobicContact CD1-CE2 3.38Å; L901-F1060 HydrophobicContact CD1-CZ 4.13Å; Q904-F1060 HydrophobicContact CB-CE2 4.2Å; Q904-F1060 HydrophobicContact CB-CZ 3.63Å; Q904-F1060 HydrophobicContact CG-CZ 4.43Å; Q904-F1060 VanDerWaalsContact OE1-CZ 3.25Å; F1042-F1060 AromaticContact CD2-CE1 3.97Å; F1042-F1060 HydrophobicContact CD2-CE1 3.97Å; F1042-F1060 HydrophobicContact CE2-CD1 4.11Å; F1042-F1060 AromaticContact CE2-CE1 3.95Å; F1042-F1060 HydrophobicContact CE2-CE1 3.95Å; T1058-F1060 PolarHBondContact O-N 3.25Å; F1060-Q1062 VanDerWaalsContact C-N 3.32Å; F1060-Q1062 PolarHBondContact O-N 3.17Å; F1060-H1063 PolarHBondContact O-N 3.26Å; F1060-I1064 HydrophobicContact CD1-CD1 3.98Å; F1060-I1064 HydrophobicContact CE1-CD1 3.37Å; F1060-I1064 HydrophobicContact CE1-CG1 4.43Å; F1060-I1064 HydrophobicContact CE2-CD1 4.25Å; F1060-I1064 HydrophobicContact CZ-CD1 3.52Å; F1060-I1064 HydrophobicContact CZ-CG1 4.36Å; F1060-I1064 PolarHBondContact O-N 3.14Å; F1060-I1064 VanDerWaalsContact O-N 3.1Å; F1060-F1148 HydrophobicContact CB-CD1 4.23Å; F1060-F1148 HydrophobicContact CB-CE1 4.24Å; F1060-F1148 HydrophobicContact CD2-CB 4.36Å; F1060-F1148 AromaticContact CD2-CD1 3.9Å; F1060-F1148 HydrophobicContact CD2-CD1 3.9Å; F1060-F1148 HydrophobicContact CD2-CE1 4.49Å; F1060-F1148 AromaticContact CD2-CG 3.97Å; F1060-F1148 HydrophobicContact CD2-CG 3.97Å; F1060-Y1149 VanDerWaalsContact CB-OH 3.25Å; F1060-Y1149 WeakPolarHBondContact CB-OH 3.45Å
1061	S	92.7	Very high	88.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-39.8	175.4	-66.3	0	0	0	0	112.8	F994 F1042 E1044 T1058 I1059 H1063 I1064 L1065	F994-S1061 WeakPolarHBondContact CE2-O 3.17Å; F1042-S1061 VanDerWaalsContact CE2-OG 3.22Å; F1042-S1061 WeakPolarHBondContact CE2-OG 3.33Å; F1042-S1061 WeakPolarHBondContact CZ-OG 3.31Å; E1044-S1061 PolarHBondContact OE1-OG 3.39Å; E1044-S1061 PolarHBondContact OE2-OG 3.43Å; E1044-S1061 VanDerWaalsContact OE2-OG 3.12Å; T1058-S1061 WeakPolarHBondContact O-CB 3.27Å; T1058-S1061 PolarHBondContact O-N 3.28Å; T1058-S1061 WeakPolarHBondContact OG1-CB 3.25Å; T1058-S1061 PolarHBondContact OG1-N 2.74Å; T1058-S1061 VanDerWaalsContact OG1-N 3.1Å; T1058-S1061 PolarHBondContact OG1-OG 3.43Å; I1059-S1061 PolarHBondContact O-N 2.8Å; S1061-H1063 VanDerWaalsContact C-N 3.28Å; S1061-H1063 PolarHBondContact O-N 3.14Å; S1061-I1064 PolarHBondContact O-N 3.12Å; S1061-L1065 PolarHBondContact O-N 3.4Å
1062	Q	91.6	Very high	89.5	Confident	13 Å²	13	19.8 Å²	19.8	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-32.7	174.9	-67.4	166.1	12.9	0	0	112.8	L1057 T1058 I1059 F1060 N1066 H1134	L1057-Q1062 HydrophobicContact CB-CG 3.83Å; L1057-Q1062 HydrophobicContact CD1-CG 4.19Å; L1057-Q1062 PolarHBondContact O-NE2 2.03Å; T1058-Q1062 WeakPolarHBondContact O-CG 3.25Å; T1058-Q1062 PolarHBondContact O-N 3.48Å; I1059-Q1062 WeakPolarHBondContact O-CB 3.28Å; I1059-Q1062 PolarHBondContact O-N 3.32Å; I1059-Q1062 VanDerWaalsContact O-N 3.15Å; F1060-Q1062 VanDerWaalsContact C-N 3.32Å; F1060-Q1062 PolarHBondContact O-N 3.17Å; Q1062-N1066 WeakPolarHBondContact O-CB 3.48Å; Q1062-N1066 PolarHBondContact O-N 3.04Å; Q1062-N1066 PolarHBondContact O-ND2 3.45Å; Q1062-N1066 VanDerWaalsContact O-ND2 3.09Å; Q1062-H1134 VanDerWaalsContact CD-CG 3.48Å; Q1062-H1134 PolarHBondContact OE1-CD2 2.86Å
1063	H	89.8	Confident	90.8	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.083	10%	0.104	C	C	.	.	H	α-helix	trans	-73.9	-37.6	175.9	-73.7	-58.9	0	0	0	113.4	R696 L901 I1059 F1060 S1061 L1065 N1066 D1067 F1148	R696-H1063 VanDerWaalsContact CZ-NE2 3.32Å; R696-H1063 PolarHBondContact NH1-CE1 2.83Å; R696-H1063 PolarHBondContact NH1-NE2 3.31Å; R696-H1063 PolarHBondContact NH2-CE1 2.85Å; R696-H1063 VanDerWaalsContact NH2-CE1 3.26Å; R696-H1063 PolarHBondContact NH2-NE2 3.38Å; L901-H1063 HydrophobicContact CD2-CB 3.91Å; I1059-H1063 PolarHBondContact O-CD2 3.38Å; I1059-H1063 PolarHBondContact O-N 3.39Å; I1059-H1063 VanDerWaalsContact O-N 3.1Å; F1060-H1063 PolarHBondContact O-N 3.26Å; S1061-H1063 VanDerWaalsContact C-N 3.28Å; S1061-H1063 PolarHBondContact O-N 3.14Å; H1063-L1065 VanDerWaalsContact C-N 3.25Å; H1063-L1065 PolarHBondContact O-N 3.42Å; H1063-N1066 PolarHBondContact O-N 3.32Å; H1063-D1067 WeakPolarHBondContact O-CB 3.31Å; H1063-D1067 PolarHBondContact O-N 2.83Å; H1063-F1148 HydrophobicContact CB-CE2 4.13Å; H1063-F1148 HydrophobicContact CB-CZ 4.32Å; H1063-F1148 AromaticContact CD2-CE2 3.77Å; H1063-F1148 AromaticContact CD2-CZ 3.23Å; H1063-F1148 WeakPolarHBondContact CD2-CZ 3.29Å; H1063-F1148 AromaticContact CG-CE2 3.9Å; H1063-F1148 AromaticContact CG-CZ 3.84Å
1064	I	93.5	Very high	92	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-41.8	172.9	-64.6	176.6	0	0	0	110	L901 F905 F994 H1040 F1042 F1060 S1061 D1067 L1068	L901-I1064 HydrophobicContact CD1-CD1 4.34Å; L901-I1064 HydrophobicContact CD1-CG1 3.62Å; L901-I1064 HydrophobicContact CD2-CG1 4.4Å; L901-I1064 HydrophobicContact CG-CG1 4.08Å; F905-I1064 HydrophobicContact CB-CD1 4.19Å; F905-I1064 HydrophobicContact CB-CG2 4.32Å; F905-I1064 HydrophobicContact CD1-CB 4.4Å; F905-I1064 HydrophobicContact CD1-CD1 3.96Å; F905-I1064 HydrophobicContact CD1-CG1 3.85Å; F905-I1064 HydrophobicContact CD1-CG2 3.76Å; F905-I1064 HydrophobicContact CE1-CG1 4.38Å; F905-I1064 HydrophobicContact CE1-CG2 4.19Å; F905-I1064 HydrophobicContact CG-CG2 4.03Å; F994-I1064 HydrophobicContact CD2-CB 4.41Å; F994-I1064 HydrophobicContact CD2-CG2 3.99Å; F994-I1064 HydrophobicContact CE2-CB 4.25Å; F994-I1064 HydrophobicContact CE2-CG2 4.26Å; H1040-I1064 HydrophobicContact CB-CG2 3.72Å; H1040-I1064 WeakPolarHBondContact ND1-CG2 3.5Å; H1040-I1064 PolarHBondContact ND1-O 2.92Å; F1042-I1064 HydrophobicContact CD1-CD1 3.78Å; F1042-I1064 HydrophobicContact CD1-CG2 4.22Å; F1042-I1064 HydrophobicContact CD2-CD1 3.93Å; F1042-I1064 HydrophobicContact CE1-CB 4.21Å; F1042-I1064 HydrophobicContact CE1-CD1 3.68Å; F1042-I1064 HydrophobicContact CE1-CG2 3.91Å; F1042-I1064 HydrophobicContact CE2-CD1 3.82Å; F1042-I1064 HydrophobicContact CG-CD1 3.91Å; F1042-I1064 HydrophobicContact CZ-CD1 3.71Å; F1060-I1064 HydrophobicContact CD1-CD1 3.98Å; F1060-I1064 HydrophobicContact CE1-CD1 3.37Å; F1060-I1064 HydrophobicContact CE1-CG1 4.43Å; F1060-I1064 HydrophobicContact CE2-CD1 4.25Å; F1060-I1064 HydrophobicContact CZ-CD1 3.52Å; F1060-I1064 HydrophobicContact CZ-CG1 4.36Å; F1060-I1064 PolarHBondContact O-N 3.14Å; F1060-I1064 VanDerWaalsContact O-N 3.1Å; S1061-I1064 PolarHBondContact O-N 3.12Å; I1064-D1067 PolarHBondContact O-N 3.18Å; I1064-L1068 PolarHBondContact O-N 3.19Å
1065	L	95.7	Very high	92.6	Very high	16 Å²	16	15.3 Å²	15.3	8%	0.084	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-46.8	176.3	-179.9	59.9	0	0	0	111.8	C968 F994 L1057 S1061 H1063 D1067 L1068 L1069	C968-L1065 HydrophobicContact CB-CD1 3.87Å; C968-L1065 HydrophobicContact CB-CD2 4.18Å; F994-L1065 HydrophobicContact CB-CD1 3.98Å; F994-L1065 HydrophobicContact CD1-CD1 4.35Å; F994-L1065 HydrophobicContact CD2-CB 3.87Å; F994-L1065 HydrophobicContact CD2-CD1 4.3Å; F994-L1065 HydrophobicContact CE2-CB 3.93Å; F994-L1065 HydrophobicContact CG-CB 4.34Å; F994-L1065 HydrophobicContact CG-CD1 3.96Å; F994-L1065 HydrophobicContact CZ-CB 4.46Å; L1057-L1065 HydrophobicContact CD1-CD2 4.46Å; S1061-L1065 PolarHBondContact O-N 3.4Å; H1063-L1065 VanDerWaalsContact C-N 3.25Å; H1063-L1065 PolarHBondContact O-N 3.42Å; L1065-D1067 VanDerWaalsContact C-N 3.31Å; L1065-D1067 PolarHBondContact O-N 2.97Å; L1065-L1068 WeakPolarHBondContact O-CB 3.35Å; L1065-L1068 PolarHBondContact O-N 2.69Å; L1065-L1068 VanDerWaalsContact O-N 3.14Å; L1065-L1069 HydrophobicContact CD1-CD1 3.82Å; L1065-L1069 HydrophobicContact CD1-CG 4Å; L1065-L1069 HydrophobicContact CD2-CD1 4.48Å; L1065-L1069 HydrophobicContact CG-CD1 3.88Å; L1065-L1069 HydrophobicContact CG-CG 4.38Å; L1065-L1069 WeakPolarHBondContact O-CG 3.29Å; L1065-L1069 PolarHBondContact O-N 3.41Å
1066	N	93.5	Very high	92.7	Very high	25 Å²	25	14.3 Å²	14.3	13%	0.134	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-34.2	178.3	-79.5	-43.8	0	0	0	112.9	Q1062 H1063 L1068 L1069 R1070	Q1062-N1066 WeakPolarHBondContact O-CB 3.48Å; Q1062-N1066 PolarHBondContact O-N 3.04Å; Q1062-N1066 PolarHBondContact O-ND2 3.45Å; Q1062-N1066 VanDerWaalsContact O-ND2 3.09Å; H1063-N1066 PolarHBondContact O-N 3.32Å; N1066-L1068 VanDerWaalsContact C-N 3.28Å; N1066-L1068 PolarHBondContact O-N 3.14Å; N1066-L1069 PolarHBondContact O-N 3.38Å; N1066-R1070 WeakPolarHBondContact O-CB 3.34Å; N1066-R1070 PolarHBondContact O-N 2.81Å
1067	D	92.2	Very high	92.7	Very high	15 Å²	15	14.1 Å²	14.1	8%	0.08	7%	0.073	C	C	.	.	H	α-helix	trans	-64.4	-33.7	174.3	-174.2	71.8	0	0	0	112.1	H698 K700 L901 H1063 I1064 L1065	H698-D1067 IonicContact CE1-OD1 3.71Å; H698-D1067 IonicContact ND1-OD1 3.86Å; K700-D1067 IonicContact NZ-OD1 3.14Å; K700-D1067 PolarHBondContact NZ-OD1 3.01Å; K700-D1067 IonicContact NZ-OD2 2.76Å; K700-D1067 PolarHBondContact NZ-OD2 2.87Å; L901-D1067 HydrophobicContact CD2-CB 4.3Å; H1063-D1067 WeakPolarHBondContact O-CB 3.31Å; H1063-D1067 PolarHBondContact O-N 2.83Å; I1064-D1067 PolarHBondContact O-N 3.18Å; L1065-D1067 VanDerWaalsContact C-N 3.31Å; L1065-D1067 PolarHBondContact O-N 2.97Å
1068	L	96	Very high	92.3	Very high	15 Å²	15	16.3 Å²	16.3	8%	0.079	9%	0.085	C	C	.	.	H	α-helix	trans	-71.6	-44.2	174.5	-175.4	56.7	0	0	0	112.2	F994 T995 Q1038 I1064 L1065 N1066	F994-L1068 HydrophobicContact CB-CD2 3.96Å; T995-L1068 VanDerWaalsContact C-CD2 3.5Å; Q1038-L1068 HydrophobicContact CB-CD1 4.13Å; I1064-L1068 PolarHBondContact O-N 3.19Å; L1065-L1068 WeakPolarHBondContact O-CB 3.35Å; L1065-L1068 PolarHBondContact O-N 2.69Å; L1065-L1068 VanDerWaalsContact O-N 3.14Å; N1066-L1068 VanDerWaalsContact C-N 3.28Å; N1066-L1068 PolarHBondContact O-N 3.14Å
1069	L	96.1	Very high	91.8	Very high	25 Å²	25	19.5 Å²	19.5	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-85	-18.7	-173.4	-61.3	178.5	0	0	0	114.2	C968 L1065 N1066 P1071	C968-L1069 VanDerWaalsContact SG-CD1 3.53Å; L1065-L1069 HydrophobicContact CD1-CD1 3.82Å; L1065-L1069 HydrophobicContact CD1-CG 4Å; L1065-L1069 HydrophobicContact CD2-CD1 4.48Å; L1065-L1069 HydrophobicContact CG-CD1 3.88Å; L1065-L1069 HydrophobicContact CG-CG 4.38Å; L1065-L1069 WeakPolarHBondContact O-CG 3.29Å; L1065-L1069 PolarHBondContact O-N 3.41Å; N1066-L1069 PolarHBondContact O-N 3.38Å; L1069-P1071 VanDerWaalsContact C-CD 3.49Å
1070	R	94.4	Very high	91.3	Very high	28 Å²	28	22.5 Å²	22.5	11%	0.106	12%	0.121	C	C	.	.	S	Bend	trans	-129.6	66.6	-175.9	-59.3	-179.8	179.1	-178.8	1.8	110.6	R519 P693 N1066 E1103 L1104	R519-R1070 VanDerWaalsContact NE-NH1 3.1Å; R519-R1070 VanDerWaalsContact NH2-NH1 3.1Å; P693-R1070 HydrophobicContact CG-CB 4.31Å; P693-R1070 WeakPolarHBondContact CG-O 3.39Å; N1066-R1070 WeakPolarHBondContact O-CB 3.34Å; N1066-R1070 PolarHBondContact O-N 2.81Å; R1070-E1103 IonicContact CZ-OE1 3.12Å; R1070-E1103 IonicContact NH1-OE1 2.98Å; R1070-E1103 PolarHBondContact NH1-OE1 3.12Å; R1070-E1103 IonicContact NH2-OE1 3.51Å; R1070-E1103 PolarHBondContact NH2-OE1 3.46Å; R1070-L1104 PolarHBondContact NH1-O 3.29Å
1071	P	94.3	Very high	90.8	Very high	61 Å²	61	28.4 Å²	28.4	40%	0.396	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-62.3	151.7	179.9	28.1	-36	0	0	0	111.5	P693 L1069	P693-P1071 WeakPolarHBondContact CG-O 3.45Å; L1069-P1071 VanDerWaalsContact C-CD 3.49Å
1072	I	95.8	Very high	90.2	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.087	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-62.5	152	174.9	54.8	159.8	0	0	0	112	I690 I702 L758 K1074	I690-I1072 HydrophobicContact CD1-CD1 4.43Å; I690-I1072 HydrophobicContact CG2-CB 4.01Å; I690-I1072 HydrophobicContact CG2-CD1 3.87Å; I690-I1072 HydrophobicContact CG2-CG2 4.37Å; I702-I1072 HydrophobicContact CD1-CD1 3.34Å; L758-I1072 HydrophobicContact CD1-CG2 3.75Å; I1072-K1074 HydrophobicContact CD1-CG 4.31Å
1073	H	97.1	Very high	89.7	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.019	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.3	173.2	-60	-102.1	0	0	0	110.5	E517 T520 E657 I690 F691 F1075	E517-H1073 IonicContact OE2-CE1 2.7Å; E517-H1073 PolarHBondContact OE2-CE1 2.62Å; E517-H1073 IonicContact OE2-ND1 2.86Å; T520-H1073 WeakPolarHBondContact CB-NE2 3.3Å; T520-H1073 WeakPolarHBondContact CG2-NE2 3.11Å; T520-H1073 PolarHBondContact OG1-NE2 2.64Å; E657-H1073 VanDerWaalsContact OE1-CA 3.32Å; E657-H1073 WeakPolarHBondContact OE1-CA 3.31Å; I690-H1073 CarbonylContact C-O 3.56Å; I690-H1073 WeakPolarHBondContact CA-O 3.34Å; F691-H1073 HydrophobicContact CB-CB 4.29Å; F691-H1073 PolarHBondContact N-O 3.47Å; F691-H1073 PolarHBondContact O-N 2.96Å; H1073-F1075 HydrophobicContact CB-CE2 3.78Å; H1073-F1075 HydrophobicContact CB-CZ 3.81Å
1074	K	95.9	Very high	89.2	Confident	31 Å²	31	33.1 Å²	33.1	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.8	179.5	-62.5	169.1	-59.4	-55.9	0	109	L656 E657 Y689 I690 I702 L704 I1072	L656-K1074 HydrophobicContact CB-CB 3.93Å; L656-K1074 HydrophobicContact CD1-CB 4.31Å; L656-K1074 PolarHBondContact N-O 3.07Å; E657-K1074 PolarHBondContact OE1-N 3.4Å; E657-K1074 IonicContact OE1-NZ 3.43Å; E657-K1074 PolarHBondContact OE1-NZ 2.85Å; E657-K1074 IonicContact OE2-NZ 3.99Å; E657-K1074 PolarHBondContact OE2-NZ 2.81Å; Y689-K1074 CarbonylContact O-C 3.52Å; Y689-K1074 WeakPolarHBondContact O-CA 3.31Å; I690-K1074 HydrophobicContact CG1-CG 4.46Å; I702-K1074 HydrophobicContact CG2-CD 4.25Å; L704-K1074 HydrophobicContact CD2-CD 4.25Å; I1072-K1074 HydrophobicContact CD1-CG 4.31Å
1075	F	94.6	Very high	88.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137	177.4	-51.7	-90.8	0	0	0	110.6	I595 F653 Y654 I688 Y689 F691 F763 H1073	I595-F1075 HydrophobicContact CG2-CE1 3.75Å; I595-F1075 HydrophobicContact CG2-CZ 3.47Å; I595-F1075 VanDerWaalsContact CG2-CZ 3.47Å; F653-F1075 HydrophobicContact CD2-CB 4.14Å; F653-F1075 HydrophobicContact CE1-CB 4.38Å; F653-F1075 HydrophobicContact CE1-CD1 4.15Å; F653-F1075 HydrophobicContact CE1-CG 4.35Å; F653-F1075 HydrophobicContact CE2-CB 3.27Å; F653-F1075 HydrophobicContact CE2-CD1 4.49Å; F653-F1075 HydrophobicContact CE2-CG 4.01Å; F653-F1075 HydrophobicContact CZ-CB 3.42Å; F653-F1075 VanDerWaalsContact CZ-CB 3.42Å; F653-F1075 AromaticContact CZ-CD1 3.87Å; F653-F1075 HydrophobicContact CZ-CD1 3.87Å; F653-F1075 HydrophobicContact CZ-CD2 4.3Å; F653-F1075 AromaticContact CZ-CG 3.61Å; F653-F1075 HydrophobicContact CZ-CG 3.61Å; Y654-F1075 CarbonylContact O-C 3.53Å; Y654-F1075 VanDerWaalsContact O-CA 3.31Å; Y654-F1075 WeakPolarHBondContact O-CA 3.44Å; I688-F1075 CarbonylContact C-O 3.55Å; I688-F1075 VanDerWaalsContact CA-O 3.25Å; I688-F1075 WeakPolarHBondContact CA-O 3.37Å; Y689-F1075 PolarHBondContact N-O 3.3Å; Y689-F1075 PolarHBondContact O-N 3.03Å; F691-F1075 HydrophobicContact CB-CE2 3.92Å; F763-F1075 HydrophobicContact CE1-CE2 4.12Å; H1073-F1075 HydrophobicContact CB-CE2 3.78Å; H1073-F1075 HydrophobicContact CB-CZ 3.81Å
1076	Y	90.9	Very high	88.5	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.2	178	172.2	-97.6	0	0	0	110.8	F653 Y654 L656 I671 R686 N1078	F653-Y1076 WeakPolarHBondContact CA-O 3.45Å; Y654-Y1076 HydrophobicContact CD1-CD1 4.15Å; Y654-Y1076 AromaticContact CE1-CD1 3.32Å; Y654-Y1076 HydrophobicContact CE1-CD1 3.32Å; Y654-Y1076 AromaticContact CE1-CE1 3.85Å; Y654-Y1076 HydrophobicContact CE1-CE1 3.85Å; Y654-Y1076 HydrophobicContact CE1-CG 4.39Å; Y654-Y1076 HydrophobicContact CE2-CD1 4.31Å; Y654-Y1076 AromaticContact CZ-CD1 3.39Å; Y654-Y1076 AromaticContact CZ-CE1 3.98Å; Y654-Y1076 PolarHBondContact N-O 3.36Å; Y654-Y1076 VanDerWaalsContact N-O 3.12Å; Y654-Y1076 PolarHBondContact O-N 3.05Å; Y654-Y1076 VanDerWaalsContact OH-CD1 3.28Å; Y654-Y1076 WeakPolarHBondContact OH-CD1 3.39Å; L656-Y1076 HydrophobicContact CD2-CG 4.48Å; I671-Y1076 HydrophobicContact CG1-CD2 4.48Å; I671-Y1076 HydrophobicContact CG2-CD2 4.16Å; I671-Y1076 HydrophobicContact CG2-CE2 3.74Å; R686-Y1076 HydrophobicContact CB-CE2 3.85Å; R686-Y1076 WeakPolarHBondContact CD-OH 3.44Å; R686-Y1076 HydrophobicContact CG-CE2 3.79Å; R686-Y1076 PolarHBondContact NE-OH 3.31Å; Y1076-N1078 HydrophobicContact CD1-CB 4.07Å; Y1076-N1078 VanDerWaalsContact CE1-CA 3.49Å; Y1076-N1078 HydrophobicContact CE1-CB 3.52Å; Y1076-N1078 PolarHBondContact OH-OD1 2.81Å
1077	V	89.3	Confident	88.4	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.8	171.2	-176.5	0	0	0	0	109.1	F653 R687 Y689 Q1079 L1082 N1083 F1086	F653-V1077 HydrophobicContact CD2-CG2 3.74Å; F653-V1077 HydrophobicContact CE2-CG2 4.12Å; R687-V1077 HydrophobicContact CB-CB 4.32Å; R687-V1077 HydrophobicContact CB-CG2 4.39Å; R687-V1077 PolarHBondContact O-N 3.38Å; Y689-V1077 HydrophobicContact CD2-CG2 3.74Å; Y689-V1077 HydrophobicContact CE2-CG2 3.63Å; V1077-Q1079 WeakPolarHBondContact CG1-O 3.3Å; V1077-L1082 HydrophobicContact CG1-CB 3.76Å; V1077-L1082 HydrophobicContact CG1-CD1 4.28Å; V1077-N1083 VanDerWaalsContact CG1-OD1 3.3Å; V1077-N1083 WeakPolarHBondContact CG1-OD1 3.45Å; V1077-F1086 HydrophobicContact CG2-CD2 4.17Å; V1077-F1086 HydrophobicContact CG2-CE2 4.15Å
1078	N	83	Confident	88.3	Confident	55 Å²	55	35.1 Å²	35.1	29%	0.294	20%	0.195	S	C	.	.			trans	-88.1	-32.6	-180	-159.3	18.5	0	0	0	112.3	T649 H651 S652 Y654 Y1076	T649-N1078 PolarHBondContact O-ND2 2.98Å; H651-N1078 WeakPolarHBondContact O-CB 3.23Å; H651-N1078 PolarHBondContact O-ND2 3.2Å; S652-N1078 PolarHBondContact O-N 3.27Å; Y654-N1078 HydrophobicContact CE1-CB 4.4Å; Y1076-N1078 HydrophobicContact CD1-CB 4.07Å; Y1076-N1078 VanDerWaalsContact CE1-CA 3.49Å; Y1076-N1078 HydrophobicContact CE1-CB 3.52Å; Y1076-N1078 PolarHBondContact OH-OD1 2.81Å
1079	Q	79.4	Confident	88	Confident	68 Å²	68	35.8 Å²	35.8	32%	0.318	20%	0.198	S	C	.	.			trans	-93.6	119.3	179.8	-72.3	-168.5	-6.7	0	0	112.3	S652 V1077 Q1081 L1082	S652-Q1079 PolarHBondContact O-N 2.87Å; S652-Q1079 PolarHBondContact OG-NE2 2.78Å; S652-Q1079 PolarHBondContact OG-OE1 3.14Å; V1077-Q1079 WeakPolarHBondContact CG1-O 3.3Å; Q1079-Q1081 PolarHBondContact O-N 3.44Å; Q1079-Q1081 VanDerWaalsContact O-N 3.14Å; Q1079-L1082 HydrophobicContact CB-CD1 4.26Å; Q1079-L1082 HydrophobicContact CB-CG 4.22Å; Q1079-L1082 WeakPolarHBondContact O-CB 3.26Å; Q1079-L1082 PolarHBondContact O-N 3.49Å; Q1079-L1082 VanDerWaalsContact O-N 3.1Å
1080	S	74.5	Confident	87.9	Confident	71 Å²	71	36.3 Å²	36.3	50%	0.497	20%	0.199	S	C	.	.	H	α-helix	trans	-59.2	-27.7	179.2	59.6	0	0	0	0	113.9	L1082 N1083	S1080-L1082 VanDerWaalsContact C-N 3.31Å; S1080-L1082 PolarHBondContact O-N 3.41Å; S1080-N1083 VanDerWaalsContact O-CB 3.26Å; S1080-N1083 WeakPolarHBondContact O-CB 3.38Å; S1080-N1083 PolarHBondContact O-N 3.39Å
1081	Q	75.9	Confident	87.8	Confident	130 Å²	130	37.3 Å²	37.3	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-61.4	-38.4	176.9	-63.5	179.5	13.6	0	0	112.1	Q1079 N1083 S1084	Q1079-Q1081 PolarHBondContact O-N 3.44Å; Q1079-Q1081 VanDerWaalsContact O-N 3.14Å; Q1081-N1083 PolarHBondContact O-N 3.28Å; Q1081-S1084 PolarHBondContact O-N 3.11Å; Q1081-S1084 PolarHBondContact O-OG 2.69Å
1082	L	80.5	Confident	87.8	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-27.5	178.3	-64.1	178.5	0	0	0	112.4	T630 F653 V1077 Q1079 S1080 S1084 L1085 F1086	T630-L1082 HydrophobicContact CG2-CD2 3.41Å; T630-L1082 VanDerWaalsContact CG2-CD2 3.41Å; F653-L1082 HydrophobicContact CB-CD1 4.27Å; V1077-L1082 HydrophobicContact CG1-CB 3.76Å; V1077-L1082 HydrophobicContact CG1-CD1 4.28Å; Q1079-L1082 HydrophobicContact CB-CD1 4.26Å; Q1079-L1082 HydrophobicContact CB-CG 4.22Å; Q1079-L1082 WeakPolarHBondContact O-CB 3.26Å; Q1079-L1082 PolarHBondContact O-N 3.49Å; Q1079-L1082 VanDerWaalsContact O-N 3.1Å; S1080-L1082 VanDerWaalsContact C-N 3.31Å; S1080-L1082 PolarHBondContact O-N 3.41Å; L1082-S1084 PolarHBondContact O-N 3.24Å; L1082-L1085 PolarHBondContact O-N 2.89Å; L1082-F1086 HydrophobicContact CB-CE1 4.47Å; L1082-F1086 HydrophobicContact CD1-CZ 4.46Å; L1082-F1086 HydrophobicContact CD2-CE1 4.3Å; L1082-F1086 PolarHBondContact O-N 3.02Å
1083	N	81.8	Confident	87.7	Confident	25 Å²	25	34.1 Å²	34.1	13%	0.134	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-32.9	176	-64.6	-23.8	0	0	0	111.7	R687 V1077 S1080 Q1081 L1085	R687-N1083 WeakPolarHBondContact CD-OD1 3.5Å; R687-N1083 PolarHBondContact NH1-O 2.89Å; V1077-N1083 VanDerWaalsContact CG1-OD1 3.3Å; V1077-N1083 WeakPolarHBondContact CG1-OD1 3.45Å; S1080-N1083 VanDerWaalsContact O-CB 3.26Å; S1080-N1083 WeakPolarHBondContact O-CB 3.38Å; S1080-N1083 PolarHBondContact O-N 3.39Å; Q1081-N1083 PolarHBondContact O-N 3.28Å; N1083-L1085 VanDerWaalsContact C-N 3.31Å
1084	S	79.3	Confident	87.3	Confident	100 Å²	100	35.7 Å²	35.7	70%	0.699	20%	0.196	S	C	*	.	H	α-helix	trans	-74.9	-21.2	177.2	69.8	0	0	0	0	113.7	Q1081 L1082	Q1081-S1084 PolarHBondContact O-N 3.11Å; Q1081-S1084 PolarHBondContact O-OG 2.69Å; L1082-S1084 PolarHBondContact O-N 3.24Å
1085	L	84.2	Confident	87	Confident	37 Å²	37	37.9 Å²	37.9	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-99.7	-36.8	-172.4	-61.7	176.7	0	0	0	113.2	L604 S607 L1082 N1083	L604-L1085 HydrophobicContact CD2-CB 3.56Å; L604-L1085 HydrophobicContact CD2-CD1 4.4Å; S607-L1085 WeakPolarHBondContact CB-O 3.18Å; S607-L1085 PolarHBondContact OG-O 3.41Å; L1082-L1085 PolarHBondContact O-N 2.89Å; N1083-L1085 VanDerWaalsContact C-N 3.31Å
1086	F	90.3	Very high	86.5	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.035	22%	0.219	C	C	.	.	S	Bend	trans	-73.2	132.2	-179.2	-75.2	10.8	0	0	0	110.7	A600 L603 L604 F653 Y689 V1077 L1082	A600-F1086 HydrophobicContact CB-CZ 4.12Å; L603-F1086 HydrophobicContact CB-CB 4.29Å; L603-F1086 HydrophobicContact CB-CD1 4.3Å; L603-F1086 HydrophobicContact CB-CD2 4.18Å; L603-F1086 HydrophobicContact CB-CG 4.01Å; L603-F1086 HydrophobicContact CD1-CD2 3.87Å; L603-F1086 HydrophobicContact CD1-CE2 4.1Å; L604-F1086 HydrophobicContact CD1-CD1 4.43Å; L604-F1086 HydrophobicContact CD1-CE1 3.78Å; L604-F1086 HydrophobicContact CD2-CD1 3.51Å; L604-F1086 HydrophobicContact CD2-CE1 3.64Å; L604-F1086 HydrophobicContact CG-CD1 3.62Å; L604-F1086 HydrophobicContact CG-CE1 3.47Å; L604-F1086 VanDerWaalsContact CG-CE1 3.47Å; F653-F1086 HydrophobicContact CD1-CE2 4.31Å; F653-F1086 HydrophobicContact CD1-CZ 4.38Å; F653-F1086 AromaticContact CD2-CE2 3.69Å; F653-F1086 HydrophobicContact CD2-CE2 3.69Å; F653-F1086 HydrophobicContact CD2-CZ 4.39Å; F653-F1086 HydrophobicContact CE1-CE2 4.41Å; F653-F1086 AromaticContact CE2-CE2 3.75Å; F653-F1086 HydrophobicContact CE2-CE2 3.75Å; F653-F1086 AromaticContact CG-CE2 3.94Å; F653-F1086 HydrophobicContact CG-CE2 3.94Å; F653-F1086 HydrophobicContact CG-CZ 4.19Å; F653-F1086 HydrophobicContact CZ-CE2 4.13Å; Y689-F1086 HydrophobicContact CD2-CD2 4.29Å; Y689-F1086 HydrophobicContact CE1-CB 4.47Å; Y689-F1086 HydrophobicContact CE2-CB 4.33Å; Y689-F1086 AromaticContact CE2-CD2 3.74Å; Y689-F1086 HydrophobicContact CE2-CD2 3.74Å; Y689-F1086 AromaticContact CZ-CD2 3.94Å; Y689-F1086 WeakPolarHBondContact OH-CB 3.35Å; V1077-F1086 HydrophobicContact CG2-CD2 4.17Å; V1077-F1086 HydrophobicContact CG2-CE2 4.15Å; L1082-F1086 HydrophobicContact CB-CE1 4.47Å; L1082-F1086 HydrophobicContact CD1-CZ 4.46Å; L1082-F1086 HydrophobicContact CD2-CE1 4.3Å; L1082-F1086 PolarHBondContact O-N 3.02Å
1087	V	90.5	Very high	86.4	Confident	30 Å²	30	40.8 Å²	40.8	18%	0.182	22%	0.218	C	C	.	.			trans	-67.5	143.2	167.4	-66.9	0	0	0	0	110.5	L603 P606 Y689 E1089 Y1090	L603-V1087 HydrophobicContact CD2-CG2 4.28Å; L603-V1087 WeakPolarHBondContact O-CG2 3.29Å; L603-V1087 PolarHBondContact O-N 3.37Å; P606-V1087 HydrophobicContact CB-CG1 3.77Å; P606-V1087 HydrophobicContact CG-CG1 3.83Å; P606-V1087 HydrophobicContact CG-CG2 4Å; Y689-V1087 VanDerWaalsContact CE1-O 3.23Å; Y689-V1087 WeakPolarHBondContact CE1-O 3.47Å; V1087-E1089 VanDerWaalsContact C-N 3.31Å; V1087-E1089 WeakPolarHBondContact CG2-O 3.45Å; V1087-E1089 PolarHBondContact O-N 3.47Å; V1087-Y1090 HydrophobicContact CG2-CD2 4.19Å
1088	T	90	Very high	86.4	Confident	23 Å²	23	40.9 Å²	40.9	14%	0.141	22%	0.219	C	C	.	.	S	Bend	trans	-79.3	-16.2	-176.9	57.7	0	0	0	0	113.4	I718 I764 C765	I718-T1088 HydrophobicContact CB-CG2 4.31Å; I718-T1088 HydrophobicContact CD1-CG2 3.86Å; I718-T1088 HydrophobicContact CG2-CG2 3.92Å; I764-T1088 CarbonylContact C-O 3.59Å; C765-T1088 HydrophobicContact CB-CG2 4.38Å; C765-T1088 VanDerWaalsContact CB-O 3.29Å; C765-T1088 WeakPolarHBondContact CB-O 3.36Å; C765-T1088 PolarHBondContact N-O 3.24Å
1089	E	91.1	Very high	86.5	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134.6	175.6	-169.4	-173.2	130.7	0	0	109.8	F763 V1087 N1091 K1095	F763-E1089 VanDerWaalsContact O-CA 3.29Å; F763-E1089 WeakPolarHBondContact O-CA 3.38Å; V1087-E1089 VanDerWaalsContact C-N 3.31Å; V1087-E1089 WeakPolarHBondContact CG2-O 3.45Å; V1087-E1089 PolarHBondContact O-N 3.47Å; E1089-N1091 PolarHBondContact OE1-ND2 2.86Å; E1089-K1095 WeakPolarHBondContact OE1-CE 3.26Å; E1089-K1095 IonicContact OE1-NZ 2.68Å; E1089-K1095 PolarHBondContact OE1-NZ 3.27Å; E1089-K1095 IonicContact OE2-NZ 3.54Å
1090	Y	92.6	Very high	86.6	Confident	36 Å²	36	35.8 Å²	35.8	14%	0.141	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	124.1	175.5	-170.2	-99.1	0	0	0	110.8	L602 P606 S762 F763 V1087 L1092	L602-Y1090 HydrophobicContact CB-CD1 4.04Å; L602-Y1090 HydrophobicContact CB-CE1 3.74Å; L602-Y1090 HydrophobicContact CD2-CE1 3.83Å; L602-Y1090 HydrophobicContact CG-CE1 4.26Å; P606-Y1090 HydrophobicContact CG-CD2 3.66Å; P606-Y1090 HydrophobicContact CG-CE2 3.64Å; S762-Y1090 CarbonylContact C-O 3.54Å; S762-Y1090 VanDerWaalsContact CA-O 3.26Å; S762-Y1090 WeakPolarHBondContact CA-O 3.36Å; F763-Y1090 HydrophobicContact CD2-CD1 4.18Å; F763-Y1090 PolarHBondContact N-O 3.15Å; F763-Y1090 PolarHBondContact O-N 3.35Å; V1087-Y1090 HydrophobicContact CG2-CD2 4.19Å; Y1090-L1092 HydrophobicContact CD1-CD2 3.95Å; Y1090-L1092 HydrophobicContact CE1-CD2 3.5Å; Y1090-L1092 VanDerWaalsContact CE1-CD2 3.5Å
1091	N	92.7	Very high	87.1	Confident	48 Å²	48	33 Å²	33	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	-174.8	-59.1	-70	0	0	0	110.2	S762 E1089	S762-N1091 VanDerWaalsContact CB-OD1 3.23Å; S762-N1091 WeakPolarHBondContact CB-OD1 3.44Å; E1089-N1091 PolarHBondContact OE1-ND2 2.86Å
1092	L	94.2	Very high	87.7	Confident	2 Å²	2	27 Å²	27	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	-81.3	-35.4	177.6	-58.7	-180	0	0	0	112.5	I523 L524 Y527 L602 F691 L761 Y1090 S1170	I523-L1092 HydrophobicContact CG2-CD1 4.14Å; L524-L1092 HydrophobicContact CD2-CD1 3.94Å; Y527-L1092 HydrophobicContact CD1-CB 4.24Å; Y527-L1092 HydrophobicContact CD1-CD2 3.92Å; Y527-L1092 HydrophobicContact CD2-CB 4.25Å; Y527-L1092 HydrophobicContact CD2-CD1 3.95Å; Y527-L1092 HydrophobicContact CD2-CD2 4.3Å; Y527-L1092 HydrophobicContact CD2-CG 4.4Å; Y527-L1092 HydrophobicContact CE1-CB 3.9Å; Y527-L1092 HydrophobicContact CE1-CD2 4.41Å; Y527-L1092 VanDerWaalsContact CE1-O 3.26Å; Y527-L1092 WeakPolarHBondContact CE1-O 3.31Å; Y527-L1092 HydrophobicContact CE2-CB 3.9Å; Y527-L1092 HydrophobicContact CE2-CD1 4.23Å; Y527-L1092 HydrophobicContact CG-CB 4.4Å; Y527-L1092 HydrophobicContact CG-CD1 4.32Å; Y527-L1092 HydrophobicContact CG-CD2 3.85Å; Y527-L1092 HydrophobicContact CG-CG 4.42Å; Y527-L1092 PolarHBondContact OH-O 3.1Å; Y527-L1092 VanDerWaalsContact OH-O 3.05Å; L602-L1092 HydrophobicContact CD1-CD2 4.08Å; L602-L1092 HydrophobicContact CD2-CD2 4.4Å; F691-L1092 HydrophobicContact CE2-CD1 3.85Å; F691-L1092 HydrophobicContact CZ-CD1 4.04Å; L761-L1092 HydrophobicContact CB-CB 4.04Å; L761-L1092 HydrophobicContact CB-CD1 4.24Å; L761-L1092 WeakPolarHBondContact O-CB 3.2Å; L761-L1092 WeakPolarHBondContact O-CG 3.33Å; L761-L1092 PolarHBondContact O-N 3.14Å; Y1090-L1092 HydrophobicContact CD1-CD2 3.95Å; Y1090-L1092 HydrophobicContact CE1-CD2 3.5Å; Y1090-L1092 VanDerWaalsContact CE1-CD2 3.5Å; L1092-S1170 PolarHBondContact O-OG 3.02Å
1093	I	93	Very high	88.3	Confident	9 Å²	9	27 Å²	27	5%	0.046	15%	0.146	C	C	.	.	S	Bend	trans	-123	165.1	173.2	67.1	177.2	0	0	0	109.6	Y527 T695 P760 L761 L1167 F1168	Y527-I1093 WeakPolarHBondContact OH-CG2 3.49Å; T695-I1093 HydrophobicContact CG2-CD1 4.42Å; P760-I1093 HydrophobicContact CB-CD1 3.69Å; P760-I1093 HydrophobicContact CB-CG1 3.84Å; L761-I1093 HydrophobicContact CB-CD1 4.37Å; L761-I1093 HydrophobicContact CB-CG1 4.17Å; L761-I1093 HydrophobicContact CD1-CD1 4.05Å; L761-I1093 HydrophobicContact CD1-CG1 4.45Å; L761-I1093 HydrophobicContact CD1-CG2 4.13Å; L761-I1093 HydrophobicContact CG-CD1 4.14Å; L761-I1093 HydrophobicContact CG-CG1 4.47Å; I1093-L1167 WeakPolarHBondContact CG2-O 3.25Å; I1093-F1168 HydrophobicContact CG2-CD1 4.39Å; I1093-F1168 HydrophobicContact CG2-CE1 4.34Å
1094	P	90.2	Very high	89	Confident	38 Å²	38	25.9 Å²	25.9	25%	0.247	14%	0.14	C	C	.	.			trans	-57	151.7	175.4	-26.6	35.1	0	0	0	113.6	F1096 G1097 E1166 L1167	P1094-F1096 HydrophobicContact CB-CD1 3.48Å; P1094-F1096 VanDerWaalsContact CB-CD1 3.48Å; P1094-F1096 HydrophobicContact CB-CD2 4.44Å; P1094-F1096 HydrophobicContact CB-CE1 3.16Å; P1094-F1096 HydrophobicContact CB-CE2 4.19Å; P1094-F1096 HydrophobicContact CB-CG 4.12Å; P1094-F1096 HydrophobicContact CB-CZ 3.55Å; P1094-F1096 HydrophobicContact CG-CD1 4.43Å; P1094-F1096 HydrophobicContact CG-CE1 3.65Å; P1094-F1096 HydrophobicContact CG-CE2 4.45Å; P1094-F1096 HydrophobicContact CG-CZ 3.65Å; P1094-F1096 PolarHBondContact O-N 3.14Å; P1094-G1097 PolarHBondContact O-N 2.63Å; P1094-E1166 WeakPolarHBondContact CG-O 3.37Å; P1094-L1167 VanDerWaalsContact CD-O 3.23Å; P1094-L1167 WeakPolarHBondContact CD-O 3.44Å
1095	K	88.4	Confident	89.9	Confident	77 Å²	77	21.2 Å²	21.2	34%	0.335	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	-179	-68.4	-172.6	174.9	-171	0	114.6	N697 Y759 E1089 G1097	N697-K1095 PolarHBondContact ND2-O 3.21Å; N697-K1095 PolarHBondContact OD1-O 3.43Å; Y759-K1095 HydrophobicContact CD1-CB 4.28Å; Y759-K1095 HydrophobicContact CD1-CD 3.88Å; Y759-K1095 HydrophobicContact CD1-CG 3.99Å; Y759-K1095 HydrophobicContact CE1-CD 3.85Å; Y759-K1095 HydrophobicContact CE1-CG 4.46Å; Y759-K1095 HydrophobicContact CG-CD 4.32Å; Y759-K1095 HydrophobicContact CG-CG 4.28Å; E1089-K1095 WeakPolarHBondContact OE1-CE 3.26Å; E1089-K1095 IonicContact OE1-NZ 2.68Å; E1089-K1095 PolarHBondContact OE1-NZ 3.27Å; E1089-K1095 IonicContact OE2-NZ 3.54Å; K1095-G1097 VanDerWaalsContact C-N 3.33Å
1096	F	84.5	Confident	90.5	Very high	63 Å²	63	19.5 Å²	19.5	28%	0.276	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.5	174.8	63.6	-109.6	0	0	0	112.9	P1094 H1156 E1166 L1167	P1094-F1096 HydrophobicContact CB-CD1 3.48Å; P1094-F1096 VanDerWaalsContact CB-CD1 3.48Å; P1094-F1096 HydrophobicContact CB-CD2 4.44Å; P1094-F1096 HydrophobicContact CB-CE1 3.16Å; P1094-F1096 HydrophobicContact CB-CE2 4.19Å; P1094-F1096 HydrophobicContact CB-CG 4.12Å; P1094-F1096 HydrophobicContact CB-CZ 3.55Å; P1094-F1096 HydrophobicContact CG-CD1 4.43Å; P1094-F1096 HydrophobicContact CG-CE1 3.65Å; P1094-F1096 HydrophobicContact CG-CE2 4.45Å; P1094-F1096 HydrophobicContact CG-CZ 3.65Å; P1094-F1096 PolarHBondContact O-N 3.14Å; F1096-H1156 AromaticContact CD2-CE1 3.6Å; F1096-H1156 PolarHBondContact O-NE2 3.43Å; F1096-E1166 HydrophobicContact CE1-CG 4.26Å; F1096-E1166 WeakPolarHBondContact CE1-OE1 3.32Å; F1096-E1166 HydrophobicContact CZ-CG 3.81Å; F1096-E1166 VanDerWaalsContact CZ-OE1 3.23Å; F1096-E1166 WeakPolarHBondContact CZ-OE1 3.26Å; F1096-L1167 HydrophobicContact CE2-CD2 3.81Å; F1096-L1167 HydrophobicContact CZ-CD2 4.39Å
1097	G	88.3	Confident	90.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.			trans	67.4	-157.6	174.2	0	0	0	0	0	115.1	T695 P1094 K1095	T695-G1097 WeakPolarHBondContact O-CA 3.49Å; P1094-G1097 PolarHBondContact O-N 2.63Å; K1095-G1097 VanDerWaalsContact C-N 3.33Å
1098	L	89.2	Confident	90.8	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	9%	0.088	C	C	.	.	S	Bend	trans	-87.9	154.3	172.8	-70.8	177.6	0	0	0	111.7	T695 R696 L1104 F1131 L1162 L1167	T695-L1098 HydrophobicContact CG2-CD1 3.79Å; T695-L1098 HydrophobicContact CG2-CG 4.32Å; T695-L1098 PolarHBondContact O-N 2.68Å; T695-L1098 VanDerWaalsContact O-N 3.09Å; R696-L1098 PolarHBondContact NE-O 2.72Å; L1098-L1104 HydrophobicContact CD1-CB 3.92Å; L1098-F1131 HydrophobicContact CD1-CD1 4.45Å; L1098-F1131 HydrophobicContact CD1-CE1 4.05Å; L1098-F1131 HydrophobicContact CD2-CE1 4.31Å; L1098-L1162 HydrophobicContact CD2-CD1 4.25Å; L1098-L1162 HydrophobicContact CD2-CD2 4.13Å; L1098-L1167 HydrophobicContact CD2-CD1 3.72Å; L1098-L1167 HydrophobicContact CD2-CD2 3.86Å; L1098-L1167 HydrophobicContact CD2-CG 4.43Å
1099	P	85.2	Confident	90.8	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.019	8%	0.082	C	C	.	.			trans	-54.2	163.9	170.1	-23.9	33.3	0	0	0	113.4	R696 D1101 Y1102 H1156 L1162	R696-P1099 PolarHBondContact NH2-O 2.71Å; P1099-D1101 VanDerWaalsContact C-N 3.33Å; P1099-D1101 PolarHBondContact O-N 3.23Å; P1099-Y1102 HydrophobicContact CB-CD2 3.86Å; P1099-Y1102 HydrophobicContact CG-CD2 4.15Å; P1099-Y1102 PolarHBondContact O-N 2.89Å; P1099-Y1102 VanDerWaalsContact O-N 3.13Å; P1099-H1156 HydrophobicContact CB-CB 4.17Å; P1099-L1162 VanDerWaalsContact CD-CD2 3.48Å; P1099-L1162 HydrophobicContact CG-CD2 3.7Å
1100	C	82.5	Confident	90.6	Very high	14 Å²	14	15.4 Å²	15.4	10%	0.095	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.5	-162	-93.3	0	0	0	0	115.9	R696 I1059 C1152	R696-C1100 PolarHBondContact NH1-O 3.38Å; R696-C1100 VanDerWaalsContact NH1-O 3.11Å; R696-C1100 PolarHBondContact NH1-SG 2.97Å; R696-C1100 PolarHBondContact NH2-O 3.37Å; I1059-C1100 WeakPolarHBondContact CD1-O 3.44Å; I1059-C1100 HydrophobicContact CG1-CB 4.22Å; I1059-C1100 VanDerWaalsContact CG1-O 3.23Å; I1059-C1100 WeakPolarHBondContact CG1-O 3.49Å; C1100-C1152 HydrophobicContact CB-CB 4.4Å; C1100-C1152 WeakPolarHBondContact CB-SG 3.47Å; C1100-C1152 VanDerWaalsContact SG-C 3.55Å; C1100-C1152 WeakPolarHBondContact SG-CA 3.4Å; C1100-C1152 WeakPolarHBondContact SG-CB 3.48Å; C1100-C1152 PolarHBondContact SG-O 3.26Å; C1100-C1152 VanDerWaalsContact SG-O 3.39Å; C1100-C1152 CovalentContact SG-SG 2Å; C1100-C1152 PolarHBondContact SG-SG 3.29Å
1101	D	83.8	Confident	90.1	Very high	13 Å²	13	15.2 Å²	15.2	7%	0.07	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.3	179.1	54.4	-23.9	0	0	0	112.7	I1059 P1099 R1133 H1134	I1059-D1101 HydrophobicContact CD1-CB 4.38Å; P1099-D1101 VanDerWaalsContact C-N 3.33Å; P1099-D1101 PolarHBondContact O-N 3.23Å; D1101-R1133 HydrophobicContact CB-CG 4.32Å; D1101-R1133 CarbonylContact O-C 3.54Å; D1101-R1133 WeakPolarHBondContact O-CA 3.44Å; D1101-R1133 IonicContact OD2-CZ 3.3Å; D1101-R1133 IonicContact OD2-NE 3.04Å; D1101-R1133 PolarHBondContact OD2-NE 3.2Å; D1101-R1133 IonicContact OD2-NH2 2.81Å; D1101-R1133 PolarHBondContact OD2-NH2 2.61Å; D1101-H1134 PolarHBondContact O-CD2 3.44Å; D1101-H1134 VanDerWaalsContact O-CD2 3.28Å; D1101-H1134 PolarHBondContact O-N 2.87Å
1102	Y	90.4	Very high	89.6	Confident	2 Å²	2	13 Å²	13	1%	0.008	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140	178.9	-83.1	-100.1	0	0	0	112.9	P1099 R1133 N1160 L1162 V1207	P1099-Y1102 HydrophobicContact CB-CD2 3.86Å; P1099-Y1102 HydrophobicContact CG-CD2 4.15Å; P1099-Y1102 PolarHBondContact O-N 2.89Å; P1099-Y1102 VanDerWaalsContact O-N 3.13Å; Y1102-R1133 HydrophobicContact CD2-CG 4.2Å; Y1102-R1133 HydrophobicContact CE1-CB 4.48Å; Y1102-R1133 HydrophobicContact CE2-CG 3.98Å; Y1102-N1160 PolarHBondContact OH-O 2.9Å; Y1102-L1162 HydrophobicContact CD1-CD1 3.57Å; Y1102-L1162 HydrophobicContact CD1-CD2 3.95Å; Y1102-L1162 HydrophobicContact CD1-CG 3.92Å; Y1102-L1162 HydrophobicContact CD2-CD2 4.34Å; Y1102-L1162 HydrophobicContact CE1-CD1 3.64Å; Y1102-L1162 HydrophobicContact CE1-CD2 4.03Å; Y1102-L1162 HydrophobicContact CE1-CG 3.68Å; Y1102-L1162 HydrophobicContact CE2-CD2 4.43Å; Y1102-L1162 HydrophobicContact CG-CD1 4.42Å; Y1102-L1162 HydrophobicContact CG-CD2 4.07Å; Y1102-V1207 HydrophobicContact CE1-CB 3.99Å; Y1102-V1207 HydrophobicContact CE1-CG2 4.06Å; Y1102-V1207 PolarHBondContact OH-N 3.13Å
1103	E	92.8	Very high	89	Confident	5 Å²	5	20.4 Å²	20.4	2%	0.023	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.1	175.7	-167.7	-154.8	141.6	0	0	109.8	Y254 R1070 V1105 F1131 R1132 H1134	Y254-E1103 VanDerWaalsContact OH-CD 3.25Å; Y254-E1103 PolarHBondContact OH-OE1 3.46Å; Y254-E1103 PolarHBondContact OH-OE2 2.84Å; R1070-E1103 IonicContact CZ-OE1 3.12Å; R1070-E1103 IonicContact NH1-OE1 2.98Å; R1070-E1103 PolarHBondContact NH1-OE1 3.12Å; R1070-E1103 IonicContact NH2-OE1 3.51Å; R1070-E1103 PolarHBondContact NH2-OE1 3.46Å; E1103-V1105 PolarHBondContact O-N 3.37Å; E1103-F1131 WeakPolarHBondContact O-CA 3.48Å; E1103-R1132 HydrophobicContact CB-CB 4.33Å; E1103-R1132 PolarHBondContact N-O 3Å; E1103-R1132 PolarHBondContact O-N 3.37Å; E1103-R1132 IonicContact OE2-NH1 3.07Å; E1103-R1132 PolarHBondContact OE2-NH1 2.99Å; E1103-H1134 IonicContact OE2-CE1 2.84Å; E1103-H1134 PolarHBondContact OE2-CE1 3.03Å; E1103-H1134 IonicContact OE2-NE2 3.44Å
1104	L	96.1	Very high	88.5	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	104.8	162.5	179.7	66.1	0	0	0	108.3	R519 I523 T695 L761 R1070 L1098 T1106 V1129 F1131	R519-L1104 PolarHBondContact NE-O 3.36Å; R519-L1104 PolarHBondContact NH2-O 2.96Å; I523-L1104 HydrophobicContact CD1-CD2 4.31Å; T695-L1104 HydrophobicContact CG2-CB 3.78Å; T695-L1104 HydrophobicContact CG2-CD2 4.25Å; L761-L1104 HydrophobicContact CD1-CD2 4.02Å; R1070-L1104 PolarHBondContact NH1-O 3.29Å; L1098-L1104 HydrophobicContact CD1-CB 3.92Å; L1104-T1106 WeakPolarHBondContact CD1-O 3.33Å; L1104-V1129 HydrophobicContact CD1-CB 4.29Å; L1104-V1129 HydrophobicContact CD1-CG1 4.39Å; L1104-F1131 HydrophobicContact CB-CE1 4.28Å; L1104-F1131 HydrophobicContact CD1-CD1 4.17Å; L1104-F1131 HydrophobicContact CD1-CE1 3.68Å; L1104-F1131 HydrophobicContact CD1-CZ 4.11Å
1105	V	97.4	Very high	88.1	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-52	179.4	175.9	0	0	0	0	109.4	Y254 Y255 R519 E1103 I1130 R1132 I1212	Y254-V1105 HydrophobicContact CE2-CG1 3.9Å; Y254-V1105 HydrophobicContact CE2-CG2 4.03Å; Y255-V1105 HydrophobicContact CD2-CG1 3.89Å; R519-V1105 VanDerWaalsContact CD-O 3.29Å; R519-V1105 WeakPolarHBondContact CD-O 3.43Å; R519-V1105 PolarHBondContact NE-O 2.77Å; R519-V1105 VanDerWaalsContact NE-O 3.08Å; E1103-V1105 PolarHBondContact O-N 3.37Å; V1105-I1130 HydrophobicContact CB-CB 3.97Å; V1105-I1130 HydrophobicContact CB-CG2 3.9Å; V1105-I1130 HydrophobicContact CG1-CB 4.44Å; V1105-I1130 HydrophobicContact CG1-CG2 4.29Å; V1105-I1130 HydrophobicContact CG2-CG2 4.14Å; V1105-I1130 PolarHBondContact N-O 3.33Å; V1105-R1132 HydrophobicContact CG2-CB 3.76Å; V1105-I1212 HydrophobicContact CG2-CD1 4.07Å; V1105-I1212 HydrophobicContact CG2-CG1 4.49Å
1106	T	96.7	Very high	87.6	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	161.9	175.3	-165.2	0	0	0	0	112.3	Y255 L1104 K1108 V1129 I1130 M1183	Y255-T1106 HydrophobicContact CE2-CG2 4.44Å; L1104-T1106 WeakPolarHBondContact CD1-O 3.33Å; T1106-K1108 HydrophobicContact CG2-CD 4.4Å; T1106-K1108 HydrophobicContact CG2-CG 4.2Å; T1106-V1129 WeakPolarHBondContact O-CA 3.35Å; T1106-I1130 HydrophobicContact CG2-CB 4.2Å; T1106-I1130 HydrophobicContact CG2-CD1 3.96Å; T1106-I1130 HydrophobicContact CG2-CG1 3.88Å; T1106-I1130 PolarHBondContact O-N 3.42Å; T1106-M1183 HydrophobicContact CG2-CE 4.41Å
1107	M	95.4	Very high	87.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	115.8	173.1	177	-175.2	-177.6	0	0	108.1	E522 I523 S526 Y527 V1127 G1128 V1129 I1171	E522-M1107 CarbonylContact C-O 3.59Å; E522-M1107 WeakPolarHBondContact CB-O 3.49Å; I523-M1107 HydrophobicContact CG1-CB 3.95Å; S526-M1107 PolarHBondContact OG-O 3.27Å; Y527-M1107 HydrophobicContact CD2-CE 3.85Å; Y527-M1107 HydrophobicContact CD2-SD 3.83Å; Y527-M1107 HydrophobicContact CE2-CE 3.6Å; Y527-M1107 HydrophobicContact CE2-SD 3.41Å; Y527-M1107 WeakPolarHBondContact CE2-SD 3.47Å; M1107-V1127 HydrophobicContact CE-CG1 3.46Å; M1107-V1127 VanDerWaalsContact CE-CG1 3.46Å; M1107-V1127 HydrophobicContact CG-CG1 3.58Å; M1107-V1127 HydrophobicContact SD-CG1 4.34Å; M1107-G1128 CarbonylContact C-O 3.55Å; M1107-G1128 VanDerWaalsContact CA-O 3.31Å; M1107-G1128 WeakPolarHBondContact CA-O 3.17Å; M1107-V1129 HydrophobicContact CB-CG1 4.09Å; M1107-V1129 HydrophobicContact CG-CG1 3.89Å; M1107-I1171 HydrophobicContact CE-CD1 3.71Å
1108	K	92.8	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	-169.4	-66.8	-169.1	156	-158.2	0	112	D259 E522 T1106 F1110 V1127 G1128	D259-K1108 WeakPolarHBondContact OD1-CE 3.47Å; D259-K1108 IonicContact OD1-NZ 3.28Å; D259-K1108 PolarHBondContact OD1-NZ 3.11Å; D259-K1108 IonicContact OD2-NZ 3.17Å; E522-K1108 HydrophobicContact CB-CG 4.35Å; E522-K1108 HydrophobicContact CG-CG 4.26Å; E522-K1108 VanDerWaalsContact OE1-CE 3.24Å; E522-K1108 WeakPolarHBondContact OE1-CE 3.45Å; E522-K1108 IonicContact OE1-NZ 2.69Å; T1106-K1108 HydrophobicContact CG2-CD 4.4Å; T1106-K1108 HydrophobicContact CG2-CG 4.2Å; K1108-F1110 HydrophobicContact CB-CE1 4.5Å; K1108-F1110 HydrophobicContact CB-CE2 3.83Å; K1108-F1110 HydrophobicContact CB-CZ 3.8Å; K1108-F1110 HydrophobicContact CD-CE1 4.4Å; K1108-F1110 HydrophobicContact CD-CZ 4.02Å; K1108-V1127 CarbonylContact O-C 3.45Å; K1108-V1127 WeakPolarHBondContact O-CA 3.12Å; K1108-G1128 PolarHBondContact N-O 3.38Å; K1108-G1128 PolarHBondContact O-N 3.42Å
1109	T	90	Very high	85.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138	165.5	-59	0	0	0	0	109.5	Y525 S526 R529 Q1126	Y525-T1109 HydrophobicContact CE1-CG2 4.5Å; S526-T1109 WeakPolarHBondContact CA-OG1 3.37Å; S526-T1109 WeakPolarHBondContact CB-OG1 3.17Å; S526-T1109 PolarHBondContact OG-N 2.91Å; S526-T1109 PolarHBondContact OG-OG1 3.24Å; R529-T1109 HydrophobicContact CG-CG2 4.2Å; T1109-Q1126 WeakPolarHBondContact CA-O 3.34Å
1110	F	85.5	Confident	84.9	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.018	14%	0.137	C	C	.	.			trans	-115.9	143.8	178.8	-57.4	-87.7	0	0	0	111.5	I262 H266 K1108 I1115 Q1126 M1183 Y1216	I262-F1110 HydrophobicContact CG2-CE1 3.61Å; I262-F1110 HydrophobicContact CG2-CZ 3.99Å; H266-F1110 AromaticContact CE1-CD1 3.22Å; H266-F1110 WeakPolarHBondContact CE1-CD1 3.42Å; H266-F1110 AromaticContact CE1-CE1 3.48Å; H266-F1110 VanDerWaalsContact CE1-CE1 3.48Å; H266-F1110 WeakPolarHBondContact CE1-CE1 3.01Å; H266-F1110 AromaticContact CE1-CG 3.65Å; H266-F1110 AromaticContact ND1-CD1 3.53Å; H266-F1110 AromaticContact NE2-CD1 3.75Å; H266-F1110 AromaticContact NE2-CE1 3.49Å; H266-F1110 WeakPolarHBondContact NE2-CE1 3.42Å; H266-F1110 AromaticContact NE2-CZ 3.98Å; K1108-F1110 HydrophobicContact CB-CE1 4.5Å; K1108-F1110 HydrophobicContact CB-CE2 3.83Å; K1108-F1110 HydrophobicContact CB-CZ 3.8Å; K1108-F1110 HydrophobicContact CD-CE1 4.4Å; K1108-F1110 HydrophobicContact CD-CZ 4.02Å; F1110-I1115 HydrophobicContact CB-CD1 4.38Å; F1110-Q1126 HydrophobicContact CB-CG 3.91Å; F1110-Q1126 HydrophobicContact CD2-CG 4.33Å; F1110-Q1126 PolarHBondContact O-NE2 2.88Å; F1110-M1183 HydrophobicContact CE2-CB 4.22Å; F1110-M1183 HydrophobicContact CE2-CG 4.48Å; F1110-M1183 HydrophobicContact CE2-SD 3.33Å; F1110-M1183 WeakPolarHBondContact CE2-SD 3.42Å; F1110-M1183 HydrophobicContact CZ-CB 4.2Å; F1110-M1183 HydrophobicContact CZ-CG 4.39Å; F1110-M1183 HydrophobicContact CZ-SD 3.4Å; F1110-M1183 WeakPolarHBondContact CZ-SD 3.38Å; F1110-Y1216 HydrophobicContact CD2-CE1 4.01Å; F1110-Y1216 HydrophobicContact CE2-CE1 4.28Å
1111	H	83.7	Confident	84.1	Confident	32 Å²	32	30.7 Å²	30.7	15%	0.148	16%	0.157	C	C	.	.			trans	-104.1	8.3	174.1	-67.5	-178.8	0	0	0	113.4	Y549 M1113 N1124	Y549-H1111 AromaticContact CD1-ND1 3.54Å; Y549-H1111 AromaticContact CD2-CE1 3.5Å; Y549-H1111 AromaticContact CD2-CG 3.98Å; Y549-H1111 AromaticContact CD2-ND1 3.63Å; Y549-H1111 AromaticContact CD2-NE2 3.81Å; Y549-H1111 HydrophobicContact CE1-CB 4.11Å; Y549-H1111 AromaticContact CE1-ND1 3.86Å; Y549-H1111 HydrophobicContact CE2-CB 4.37Å; Y549-H1111 AromaticContact CE2-CD2 3.98Å; Y549-H1111 AromaticContact CE2-CG 3.84Å; Y549-H1111 AromaticContact CE2-ND1 3.94Å; Y549-H1111 AromaticContact CG-CE1 3.46Å; Y549-H1111 VanDerWaalsContact CG-CE1 3.46Å; Y549-H1111 AromaticContact CG-ND1 3.41Å; Y549-H1111 AromaticContact CZ-CG 3.89Å; H1111-M1113 PolarHBondContact O-N 2.96Å; H1111-M1113 VanDerWaalsContact O-N 3.17Å; H1111-N1124 PolarHBondContact O-OD1 2.87Å
1112	N	82.2	Confident	83.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.011	17%	0.173	C	C	.	.			trans	-72.2	110.9	-177.7	-173.2	-26.5	0	0	0	111	H266 K1114 I1115	H266-N1112 PolarHBondContact O-ND2 3.37Å; N1112-K1114 VanDerWaalsContact C-N 3.27Å; N1112-K1114 PolarHBondContact O-N 3.08Å; N1112-K1114 WeakPolarHBondContact OD1-CB 3.39Å; N1112-K1114 PolarHBondContact OD1-N 2.77Å; N1112-I1115 HydrophobicContact CB-CD1 4.02Å; N1112-I1115 HydrophobicContact CB-CG1 4.4Å; N1112-I1115 PolarHBondContact O-N 2.04Å
1113	M	79.9	Confident	82.1	Confident	158 Å²	158	37.1 Å²	37.1	78%	0.778	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.7	-178.6	-61.9	-169.9	-63.2	0	0	114.2	H1111 I1115	H1111-M1113 PolarHBondContact O-N 2.96Å; H1111-M1113 VanDerWaalsContact O-N 3.17Å; M1113-I1115 PolarHBondContact O-N 2.65Å
1114	K	83.8	Confident	80.9	Confident	107 Å²	107	38.9 Å²	38.9	47%	0.465	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.9	175.2	-58.6	-64.6	-173.4	179.9	0	112.4	L269 N1112	L269-K1114 HydrophobicContact CD1-CB 4.47Å; L269-K1114 HydrophobicContact CD2-CB 4.21Å; L269-K1114 HydrophobicContact CG-CB 3.94Å; N1112-K1114 VanDerWaalsContact C-N 3.27Å; N1112-K1114 PolarHBondContact O-N 3.08Å; N1112-K1114 WeakPolarHBondContact OD1-CB 3.39Å; N1112-K1114 PolarHBondContact OD1-N 2.77Å
1115	I	82.3	Confident	79.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-68.3	127.5	172.7	-62.6	164.9	0	0	0	108.5	L269 F1110 N1112 M1113 F1119 H1120 Q1126 Y1216	L269-I1115 HydrophobicContact CD2-CG1 4.39Å; F1110-I1115 HydrophobicContact CB-CD1 4.38Å; N1112-I1115 HydrophobicContact CB-CD1 4.02Å; N1112-I1115 HydrophobicContact CB-CG1 4.4Å; N1112-I1115 PolarHBondContact O-N 2.04Å; M1113-I1115 PolarHBondContact O-N 2.65Å; I1115-F1119 HydrophobicContact CG2-CB 3.85Å; I1115-F1119 HydrophobicContact CG2-CD2 4.42Å; I1115-F1119 HydrophobicContact CG2-CG 4.29Å; I1115-H1120 PolarHBondContact O-NE2 3.22Å; I1115-Q1126 VanDerWaalsContact CG2-OE1 3.26Å; I1115-Y1216 WeakPolarHBondContact CD1-OH 3.36Å
1116	P	77.2	Confident	78.8	Confident	21 Å²	21	39.4 Å²	39.4	14%	0.136	22%	0.217	C	C	.	.			trans	-59.8	144.4	-173.1	-25.2	34.3	0	0	0	113.4	R1118 F1119 I1188	P1116-R1118 HydrophobicContact CB-CG 4.16Å; P1116-R1118 PolarHBondContact O-N 2.65Å; P1116-F1119 HydrophobicContact CB-CD2 4.01Å; P1116-F1119 HydrophobicContact CB-CE2 4.33Å; P1116-F1119 HydrophobicContact CG-CD2 4.24Å; P1116-F1119 HydrophobicContact CG-CE2 4.29Å; P1116-F1119 WeakPolarHBondContact O-CB 3.22Å; P1116-F1119 PolarHBondContact O-N 3.02Å; P1116-I1188 HydrophobicContact CG-CD1 3.99Å; P1116-I1188 HydrophobicContact CG-CG1 3.78Å
1117	I	73.1	Confident	78.5	Confident	143 Å²	143	39.3 Å²	39.3	73%	0.733	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-56.3	-27.9	-174.7	-63.1	170.8	0	0	0	114.6	F1119 H1120	I1117-F1119 PolarHBondContact O-N 3.3Å; I1117-F1119 VanDerWaalsContact O-N 3.16Å; I1117-H1120 VanDerWaalsContact CA-CD2 3.42Å; I1117-H1120 WeakPolarHBondContact CA-CD2 3.28Å; I1117-H1120 WeakPolarHBondContact O-CB 3.15Å; I1117-H1120 PolarHBondContact O-N 2.86Å
1118	R	73.2	Confident	78.4	Confident	63 Å²	63	39.3 Å²	39.3	24%	0.238	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23.3	175.8	65	-172.5	172.1	-111.8	-11	113.8	P1116 H1120 M1191 Y1197	P1116-R1118 HydrophobicContact CB-CG 4.16Å; P1116-R1118 PolarHBondContact O-N 2.65Å; R1118-H1120 VanDerWaalsContact C-N 3.29Å; R1118-M1191 VanDerWaalsContact CZ-SD 3.51Å; R1118-M1191 PolarHBondContact NE-SD 3.49Å; R1118-M1191 VanDerWaalsContact NE-SD 3.36Å; R1118-M1191 VanDerWaalsContact NH2-CB 3.27Å; R1118-M1191 PolarHBondContact NH2-SD 2.83Å; R1118-Y1197 HydrophobicContact CB-CE1 4.07Å; R1118-Y1197 HydrophobicContact CB-CE2 4.05Å; R1118-Y1197 HydrophobicContact CG-CD2 4.31Å; R1118-Y1197 HydrophobicContact CG-CE2 3.91Å; R1118-Y1197 PolarHBondContact O-OH 3.48Å
1119	F	76	Confident	78.5	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-87.1	3.2	174.3	-64.8	-92.5	0	0	0	113.2	I1115 P1116 I1117 I1177 P1185 M1191 Y1216	I1115-F1119 HydrophobicContact CG2-CB 3.85Å; I1115-F1119 HydrophobicContact CG2-CD2 4.42Å; I1115-F1119 HydrophobicContact CG2-CG 4.29Å; P1116-F1119 HydrophobicContact CB-CD2 4.01Å; P1116-F1119 HydrophobicContact CB-CE2 4.33Å; P1116-F1119 HydrophobicContact CG-CD2 4.24Å; P1116-F1119 HydrophobicContact CG-CE2 4.29Å; P1116-F1119 WeakPolarHBondContact O-CB 3.22Å; P1116-F1119 PolarHBondContact O-N 3.02Å; I1117-F1119 PolarHBondContact O-N 3.3Å; I1117-F1119 VanDerWaalsContact O-N 3.16Å; F1119-I1177 HydrophobicContact CD1-CB 4.43Å; F1119-I1177 HydrophobicContact CD1-CD1 3.63Å; F1119-I1177 HydrophobicContact CD1-CG2 4.39Å; F1119-I1177 HydrophobicContact CE1-CB 4.07Å; F1119-I1177 HydrophobicContact CE1-CD1 3.77Å; F1119-I1177 HydrophobicContact CE1-CG2 3.57Å; F1119-I1177 HydrophobicContact CG-CD1 4.4Å; F1119-I1177 HydrophobicContact CZ-CG2 4.3Å; F1119-P1185 HydrophobicContact CD1-CG 3.85Å; F1119-P1185 HydrophobicContact CD2-CB 4.49Å; F1119-P1185 HydrophobicContact CD2-CG 3.87Å; F1119-P1185 HydrophobicContact CE1-CB 3.84Å; F1119-P1185 HydrophobicContact CE1-CG 3.47Å; F1119-P1185 VanDerWaalsContact CE1-CG 3.47Å; F1119-P1185 HydrophobicContact CE2-CB 3.66Å; F1119-P1185 HydrophobicContact CE2-CG 3.51Å; F1119-P1185 HydrophobicContact CG-CG 4.04Å; F1119-P1185 HydrophobicContact CZ-CB 3.28Å; F1119-P1185 HydrophobicContact CZ-CG 3.31Å; F1119-M1191 HydrophobicContact CE2-CE 4.14Å; F1119-M1191 HydrophobicContact CE2-SD 3.83Å; F1119-M1191 HydrophobicContact CZ-CE 3.57Å; F1119-M1191 HydrophobicContact CZ-SD 3.74Å; F1119-Y1216 AromaticContact CD1-CD2 3.62Å; F1119-Y1216 HydrophobicContact CD1-CD2 3.62Å; F1119-Y1216 HydrophobicContact CD1-CE2 4.38Å; F1119-Y1216 HydrophobicContact CD1-CG 4.14Å; F1119-Y1216 HydrophobicContact CE1-CD2 4.22Å; F1119-Y1216 HydrophobicContact CG-CD2 4.41Å
1120	H	68.8	Low	78.9	Confident	23 Å²	23	39.3 Å²	39.3	11%	0.106	22%	0.216	C	C	.	.			trans	-108	135.9	178.2	-57.5	-43.5	0	0	0	110.3	I1115 I1117 R1118 A1122 Q1126	I1115-H1120 PolarHBondContact O-NE2 3.22Å; I1117-H1120 VanDerWaalsContact CA-CD2 3.42Å; I1117-H1120 WeakPolarHBondContact CA-CD2 3.28Å; I1117-H1120 WeakPolarHBondContact O-CB 3.15Å; I1117-H1120 PolarHBondContact O-N 2.86Å; R1118-H1120 VanDerWaalsContact C-N 3.29Å; H1120-A1122 WeakPolarHBondContact CB-O 3.43Å; H1120-Q1126 PolarHBondContact CE1-OE1 2.91Å; H1120-Q1126 PolarHBondContact ND1-OE1 3.42Å
1121	A	64.8	Low	79.5	Confident	64 Å²	64	39.1 Å²	39.1	53%	0.529	22%	0.215	S	C	.	.	S	Bend	trans	-72.7	-36.1	159.4	0	0	0	0	0	110.8
1122	A	67.4	Low	80	Confident	47 Å²	47	38.7 Å²	38.7	39%	0.388	21%	0.212	S	C	.	.	S	Bend	trans	-157.2	164.1	173.3	0	0	0	0	0	109.3	H1120 N1124 T1125	H1120-A1122 WeakPolarHBondContact CB-O 3.43Å; A1122-N1124 PolarHBondContact O-N 2.88Å; A1122-T1125 WeakPolarHBondContact CA-OG1 3.37Å; A1122-T1125 HydrophobicContact CB-CG2 3.92Å; A1122-T1125 PolarHBondContact N-OG1 3.4Å; A1122-T1125 WeakPolarHBondContact O-CB 3.19Å; A1122-T1125 PolarHBondContact O-N 2.98Å; A1122-T1125 VanDerWaalsContact O-N 3.12Å; A1122-T1125 PolarHBondContact O-OG1 3.33Å
1123	P	65.3	Low	80.5	Confident	103 Å²	103	38.7 Å²	38.7	67%	0.669	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	128.1	180	-27.2	34.9	0	0	0	112.6	T1125	P1123-T1125 VanDerWaalsContact C-N 3.35Å; P1123-T1125 PolarHBondContact O-N 3.14Å
1124	N	67.2	Low	80.8	Confident	42 Å²	42	31.7 Å²	31.7	23%	0.225	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	35.9	179	-52.8	-31.1	0	0	0	114.5	R529 H1111 A1122	R529-N1124 PolarHBondContact NH2-O 2.71Å; R529-N1124 VanDerWaalsContact NH2-O 3.1Å; H1111-N1124 PolarHBondContact O-OD1 2.87Å; A1122-N1124 PolarHBondContact O-N 2.88Å
1125	T	72.3	Confident	80.6	Confident	13 Å²	13	26.7 Å²	26.7	8%	0.08	16%	0.157	C	C	.	.			trans	-119.6	13.9	175.5	62.5	0	0	0	0	113.5	Q530 A1122 P1123 V1127	Q530-T1125 VanDerWaalsContact NE2-C 3.28Å; Q530-T1125 PolarHBondContact NE2-O 3.47Å; A1122-T1125 WeakPolarHBondContact CA-OG1 3.37Å; A1122-T1125 HydrophobicContact CB-CG2 3.92Å; A1122-T1125 PolarHBondContact N-OG1 3.4Å; A1122-T1125 WeakPolarHBondContact O-CB 3.19Å; A1122-T1125 PolarHBondContact O-N 2.98Å; A1122-T1125 VanDerWaalsContact O-N 3.12Å; A1122-T1125 PolarHBondContact O-OG1 3.33Å; P1123-T1125 VanDerWaalsContact C-N 3.35Å; P1123-T1125 PolarHBondContact O-N 3.14Å; T1125-V1127 PolarHBondContact O-N 2.77Å
1126	Q	77.8	Confident	80.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.			trans	-67.2	128.1	173.4	61.3	-152.4	-23.5	0	0	110.9	T1109 F1110 I1115 H1120 Y1216	T1109-Q1126 WeakPolarHBondContact CA-O 3.34Å; F1110-Q1126 HydrophobicContact CB-CG 3.91Å; F1110-Q1126 HydrophobicContact CD2-CG 4.33Å; F1110-Q1126 PolarHBondContact O-NE2 2.88Å; I1115-Q1126 VanDerWaalsContact CG2-OE1 3.26Å; H1120-Q1126 PolarHBondContact CE1-OE1 2.91Å; H1120-Q1126 PolarHBondContact ND1-OE1 3.42Å; Q1126-Y1216 HydrophobicContact CB-CD1 3.93Å; Q1126-Y1216 HydrophobicContact CB-CE1 3.8Å; Q1126-Y1216 HydrophobicContact CG-CE1 4.02Å
1127	V	89.8	Confident	80.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	110.9	171.2	-179.9	0	0	0	0	108	Q530 M1107 K1108 T1125 V1129 L1217	Q530-V1127 HydrophobicContact CG-CG2 3.75Å; Q530-V1127 VanDerWaalsContact NE2-CG2 3.25Å; M1107-V1127 HydrophobicContact CE-CG1 3.46Å; M1107-V1127 VanDerWaalsContact CE-CG1 3.46Å; M1107-V1127 HydrophobicContact CG-CG1 3.58Å; M1107-V1127 HydrophobicContact SD-CG1 4.34Å; K1108-V1127 CarbonylContact O-C 3.45Å; K1108-V1127 WeakPolarHBondContact O-CA 3.12Å; T1125-V1127 PolarHBondContact O-N 2.77Å; V1127-V1129 HydrophobicContact CG1-CG1 4.24Å; V1127-L1217 HydrophobicContact CB-CB 4.37Å; V1127-L1217 HydrophobicContact CG1-CD1 4.45Å; V1127-L1217 PolarHBondContact O-N 2.84Å
1128	G	93.2	Very high	80.2	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.8	169.9	0	0	0	0	0	110.8	M1107 K1108 M1183 Y1215	M1107-G1128 CarbonylContact C-O 3.55Å; M1107-G1128 VanDerWaalsContact CA-O 3.31Å; M1107-G1128 WeakPolarHBondContact CA-O 3.17Å; K1108-G1128 PolarHBondContact N-O 3.38Å; K1108-G1128 PolarHBondContact O-N 3.42Å; G1128-M1183 WeakPolarHBondContact CA-SD 3.44Å; G1128-Y1215 CarbonylContact C-O 3.54Å; G1128-Y1215 WeakPolarHBondContact CA-O 3.44Å
1129	V	95.7	Very high	80	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145	174.5	-67	0	0	0	0	110.2	L1104 T1106 M1107 V1127 F1131 A1214 Y1215 L1217	L1104-V1129 HydrophobicContact CD1-CB 4.29Å; L1104-V1129 HydrophobicContact CD1-CG1 4.39Å; T1106-V1129 WeakPolarHBondContact O-CA 3.35Å; M1107-V1129 HydrophobicContact CB-CG1 4.09Å; M1107-V1129 HydrophobicContact CG-CG1 3.89Å; V1127-V1129 HydrophobicContact CG1-CG1 4.24Å; V1129-F1131 HydrophobicContact CB-CE2 4.1Å; V1129-F1131 HydrophobicContact CB-CZ 4.45Å; V1129-F1131 HydrophobicContact CG2-CD2 4.1Å; V1129-F1131 HydrophobicContact CG2-CE2 3.54Å; V1129-F1131 HydrophobicContact CG2-CZ 4.26Å; V1129-A1214 CarbonylContact O-C 3.56Å; V1129-A1214 WeakPolarHBondContact O-CA 3.31Å; V1129-Y1215 PolarHBondContact N-O 3.34Å; V1129-Y1215 PolarHBondContact O-N 3.18Å; V1129-L1217 HydrophobicContact CB-CD1 4.45Å; V1129-L1217 HydrophobicContact CG1-CD1 3.61Å; V1129-L1217 HydrophobicContact CG1-CG 4.13Å; V1129-L1217 HydrophobicContact CG2-CD1 3.95Å; V1129-L1217 HydrophobicContact CG2-CD2 3.79Å; V1129-L1217 HydrophobicContact CG2-CG 3.8Å
1130	I	98.1	Very high	79.4	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.9	169.7	-54.3	-172.6	0	0	0	108.3	I258 I262 V1105 T1106 L1181 M1183 I1212 E1213 A1214	I258-I1130 HydrophobicContact CG2-CD1 3.74Å; I262-I1130 HydrophobicContact CD1-CD1 4.13Å; V1105-I1130 HydrophobicContact CB-CB 3.97Å; V1105-I1130 HydrophobicContact CB-CG2 3.9Å; V1105-I1130 HydrophobicContact CG1-CB 4.44Å; V1105-I1130 HydrophobicContact CG1-CG2 4.29Å; V1105-I1130 HydrophobicContact CG2-CG2 4.14Å; V1105-I1130 PolarHBondContact N-O 3.33Å; T1106-I1130 HydrophobicContact CG2-CB 4.2Å; T1106-I1130 HydrophobicContact CG2-CD1 3.96Å; T1106-I1130 HydrophobicContact CG2-CG1 3.88Å; T1106-I1130 PolarHBondContact O-N 3.42Å; I1130-L1181 HydrophobicContact CD1-CD2 4.34Å; I1130-L1181 HydrophobicContact CG2-CD2 4.11Å; I1130-M1183 HydrophobicContact CB-CE 4.47Å; I1130-M1183 HydrophobicContact CD1-CE 3.76Å; I1130-M1183 HydrophobicContact CG1-CE 3.18Å; I1130-I1212 HydrophobicContact CG2-CD1 3.66Å; I1130-I1212 HydrophobicContact CG2-CG1 3.44Å; I1130-I1212 VanDerWaalsContact CG2-CG1 3.44Å; I1130-E1213 CarbonylContact C-O 3.57Å; I1130-E1213 WeakPolarHBondContact CA-O 3.37Å; I1130-A1214 HydrophobicContact CG1-CB 4.1Å
1131	F	96.8	Very high	78.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.4	172.7	-69	-68.9	0	0	0	110.2	L1098 E1103 L1104 V1129 L1162 F1168 I1205 V1207 I1212 E1213 Y1215	L1098-F1131 HydrophobicContact CD1-CD1 4.45Å; L1098-F1131 HydrophobicContact CD1-CE1 4.05Å; L1098-F1131 HydrophobicContact CD2-CE1 4.31Å; E1103-F1131 WeakPolarHBondContact O-CA 3.48Å; L1104-F1131 HydrophobicContact CB-CE1 4.28Å; L1104-F1131 HydrophobicContact CD1-CD1 4.17Å; L1104-F1131 HydrophobicContact CD1-CE1 3.68Å; L1104-F1131 HydrophobicContact CD1-CZ 4.11Å; V1129-F1131 HydrophobicContact CB-CE2 4.1Å; V1129-F1131 HydrophobicContact CB-CZ 4.45Å; V1129-F1131 HydrophobicContact CG2-CD2 4.1Å; V1129-F1131 HydrophobicContact CG2-CE2 3.54Å; V1129-F1131 HydrophobicContact CG2-CZ 4.26Å; F1131-L1162 HydrophobicContact CD1-CD1 3.95Å; F1131-L1162 HydrophobicContact CD2-CD1 4.24Å; F1131-L1162 HydrophobicContact CE1-CD1 3.9Å; F1131-L1162 HydrophobicContact CE2-CD1 4.18Å; F1131-L1162 HydrophobicContact CG-CD1 4.11Å; F1131-L1162 HydrophobicContact CZ-CD1 4.01Å; F1131-F1168 AromaticContact CZ-CE2 3.84Å; F1131-F1168 HydrophobicContact CZ-CE2 3.84Å; F1131-F1168 AromaticContact CZ-CZ 3.79Å; F1131-F1168 HydrophobicContact CZ-CZ 3.79Å; F1131-I1205 HydrophobicContact CD2-CD1 4.44Å; F1131-I1205 HydrophobicContact CD2-CG2 4.48Å; F1131-I1205 HydrophobicContact CE2-CD1 4.15Å; F1131-V1207 HydrophobicContact CB-CG2 4.01Å; F1131-I1212 CarbonylContact O-C 3.59Å; F1131-I1212 WeakPolarHBondContact O-CA 3.33Å; F1131-I1212 WeakPolarHBondContact O-CG1 3.43Å; F1131-E1213 PolarHBondContact N-O 3.33Å; F1131-E1213 PolarHBondContact O-N 2.73Å; F1131-Y1215 HydrophobicContact CD2-CD2 4.2Å; F1131-Y1215 HydrophobicContact CD2-CE2 4.45Å
1132	R	95.4	Very high	78.5	Confident	23 Å²	23	29.4 Å²	29.4	9%	0.087	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.4	167.6	175.9	-177.3	172.7	-151.7	3	108.3	Y254 F946 E1103 V1105 H1134 E1211 I1212	Y254-R1132 PolarHBondContact OH-NH1 3Å; F946-R1132 HydrophobicContact CE2-CG 4.33Å; F946-R1132 PolarHBondContact O-NH2 3.17Å; E1103-R1132 HydrophobicContact CB-CB 4.33Å; E1103-R1132 PolarHBondContact N-O 3Å; E1103-R1132 PolarHBondContact O-N 3.37Å; E1103-R1132 IonicContact OE2-NH1 3.07Å; E1103-R1132 PolarHBondContact OE2-NH1 2.99Å; V1105-R1132 HydrophobicContact CG2-CB 3.76Å; R1132-H1134 PolarHBondContact NH1-CE1 2.66Å; R1132-E1211 WeakPolarHBondContact CA-O 3.46Å; R1132-I1212 HydrophobicContact CB-CB 4.39Å; R1132-I1212 HydrophobicContact CB-CG1 4.16Å
1133	R	91.5	Very high	78	Confident	3 Å²	3	29 Å²	29	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.7	170.7	-170.2	-179.3	-176.5	-163.6	0.7	109.9	D114 D1101 Y1102 N1160 H1206 V1207 M1210 E1211	D114-R1133 IonicContact OD2-NH1 3.41Å; D114-R1133 PolarHBondContact OD2-NH1 3.11Å; D1101-R1133 HydrophobicContact CB-CG 4.32Å; D1101-R1133 CarbonylContact O-C 3.54Å; D1101-R1133 WeakPolarHBondContact O-CA 3.44Å; D1101-R1133 IonicContact OD2-CZ 3.3Å; D1101-R1133 IonicContact OD2-NE 3.04Å; D1101-R1133 PolarHBondContact OD2-NE 3.2Å; D1101-R1133 IonicContact OD2-NH2 2.81Å; D1101-R1133 PolarHBondContact OD2-NH2 2.61Å; Y1102-R1133 HydrophobicContact CD2-CG 4.2Å; Y1102-R1133 HydrophobicContact CE1-CB 4.48Å; Y1102-R1133 HydrophobicContact CE2-CG 3.98Å; R1133-N1160 PolarHBondContact NH2-OD1 3.42Å; R1133-N1160 VanDerWaalsContact NH2-OD1 3.16Å; R1133-H1206 PolarHBondContact NH1-CE1 3.45Å; R1133-V1207 HydrophobicContact CB-CB 4.04Å; R1133-V1207 HydrophobicContact CB-CG1 3.82Å; R1133-V1207 WeakPolarHBondContact CD-O 3.34Å; R1133-V1207 PolarHBondContact NH1-O 3.47Å; R1133-M1210 WeakPolarHBondContact O-CA 3.34Å; R1133-M1210 PolarHBondContact O-N 3.08Å; R1133-E1211 PolarHBondContact N-O 3.37Å
1134	H	87.6	Confident	77.7	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.046	13%	0.128	C	C	.	.			trans	-78.4	153.9	177.9	-55.9	-76	0	0	0	111.3	Q1062 D1101 E1103 R1132 P1136	Q1062-H1134 VanDerWaalsContact CD-CG 3.48Å; Q1062-H1134 PolarHBondContact OE1-CD2 2.86Å; D1101-H1134 PolarHBondContact O-CD2 3.44Å; D1101-H1134 VanDerWaalsContact O-CD2 3.28Å; D1101-H1134 PolarHBondContact O-N 2.87Å; E1103-H1134 IonicContact OE2-CE1 2.84Å; E1103-H1134 PolarHBondContact OE2-CE1 3.03Å; E1103-H1134 IonicContact OE2-NE2 3.44Å; R1132-H1134 PolarHBondContact NH1-CE1 2.66Å; H1134-P1136 VanDerWaalsContact C-CD 3.5Å; H1134-P1136 VanDerWaalsContact O-CD 3.24Å; H1134-P1136 WeakPolarHBondContact O-CD 3.16Å
1135	A	80	Confident	77	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.025	14%	0.141	C	C	.	.			trans	-109	81.5	167.9	0	0	0	0	0	110.2	S1056 M1210	S1056-A1135 WeakPolarHBondContact CB-O 3.3Å; S1056-A1135 PolarHBondContact OG-O 3.05Å; A1135-M1210 HydrophobicContact CB-CG 3.53Å; A1135-M1210 HydrophobicContact CB-SD 3.66Å
1136	P	72.3	Confident	76.4	Confident	15 Å²	15	28.9 Å²	28.9	10%	0.097	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-72.8	138	-173.1	29.8	-34.7	0	0	0	112.2	P111 L1057 I1059 H1134	P111-P1136 HydrophobicContact CG-CG 4.45Å; L1057-P1136 VanDerWaalsContact O-CA 3.26Å; L1057-P1136 WeakPolarHBondContact O-CA 3.09Å; I1059-P1136 HydrophobicContact CB-CB 4.06Å; I1059-P1136 HydrophobicContact CB-CG 4.44Å; I1059-P1136 HydrophobicContact CD1-CB 4.41Å; I1059-P1136 HydrophobicContact CD1-CG 4.37Å; H1134-P1136 VanDerWaalsContact C-CD 3.5Å; H1134-P1136 VanDerWaalsContact O-CD 3.24Å; H1134-P1136 WeakPolarHBondContact O-CD 3.16Å
1137	V	78.3	Confident	75.6	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.036	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-68.8	155.1	160.3	-79.5	0	0	0	0	110.4	I1046 I1048 Q1052 S1056 L1057 T1058	I1046-V1137 HydrophobicContact CD1-CG2 4.46Å; I1048-V1137 HydrophobicContact CD1-CG1 4.26Å; I1048-V1137 HydrophobicContact CG1-CB 4.45Å; I1048-V1137 HydrophobicContact CG1-CG1 3.94Å; Q1052-V1137 VanDerWaalsContact NE2-CG1 3.27Å; S1056-V1137 WeakPolarHBondContact O-CG2 3.21Å; S1056-V1137 WeakPolarHBondContact OG-CG1 3.48Å; S1056-V1137 PolarHBondContact OG-N 3.46Å; L1057-V1137 PolarHBondContact O-N 2.84Å; T1058-V1137 HydrophobicContact CG2-CG2 3.88Å
1138	C	73.7	Confident	74.5	Confident	24 Å²	24	34 Å²	34	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.1	-179.9	-68.3	0	0	0	0	112	C110 I1046 S1047	C110-C1138 HydrophobicContact CB-CB 4.41Å; C110-C1138 WeakPolarHBondContact CB-SG 3.26Å; C110-C1138 VanDerWaalsContact SG-CA 3.56Å; C110-C1138 WeakPolarHBondContact SG-CB 3.44Å; C110-C1138 CovalentContact SG-SG 2.02Å; C110-C1138 PolarHBondContact SG-SG 3.43Å; I1046-C1138 CarbonylContact C-O 3.59Å; I1046-C1138 VanDerWaalsContact CA-O 3.27Å; I1046-C1138 WeakPolarHBondContact CA-O 3.25Å; I1046-C1138 WeakPolarHBondContact CB-O 3.18Å; S1047-C1138 PolarHBondContact N-O 3.36Å; S1047-C1138 WeakPolarHBondContact O-CB 3.21Å; S1047-C1138 PolarHBondContact O-N 2.76Å
1139	Y	67.3	Low	73.1	Confident	27 Å²	27	34.9 Å²	34.9	11%	0.106	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	149.1	157.6	-167.2	-106	0	0	0	110.4	E1044 I1045 R1141 L1143 I1146 Y1149	E1044-Y1139 HydrophobicContact CB-CE2 4.17Å; I1045-Y1139 WeakPolarHBondContact O-CD2 3.45Å; Y1139-R1141 PolarHBondContact O-N 2.83Å; Y1139-L1143 HydrophobicContact CD1-CB 4.49Å; Y1139-L1143 HydrophobicContact CD1-CD1 4.44Å; Y1139-L1143 HydrophobicContact CE1-CB 3.61Å; Y1139-L1143 HydrophobicContact CE1-CD1 3.54Å; Y1139-L1143 HydrophobicContact CE1-CG 4.16Å; Y1139-L1143 HydrophobicContact CE2-CD1 4.24Å; Y1139-L1143 WeakPolarHBondContact OH-CD1 3.46Å; Y1139-I1146 HydrophobicContact CE1-CD1 3.91Å; Y1139-I1146 HydrophobicContact CE1-CG1 4.23Å; Y1139-I1146 HydrophobicContact CE2-CD1 3.91Å; Y1139-Y1149 VanDerWaalsContact CB-OH 3.3Å; Y1139-Y1149 WeakPolarHBondContact CB-OH 3.17Å; Y1139-Y1149 HydrophobicContact CD1-CD2 4.39Å; Y1139-Y1149 AromaticContact CD1-CE2 3.78Å; Y1139-Y1149 HydrophobicContact CD1-CE2 3.78Å; Y1139-Y1149 HydrophobicContact CD2-CE2 4.01Å; Y1139-Y1149 HydrophobicContact CE1-CE2 4.41Å; Y1139-Y1149 AromaticContact CG-CE2 3.55Å; Y1139-Y1149 HydrophobicContact CG-CE2 3.55Å; Y1139-Y1149 AromaticContact CG-CZ 3.92Å
1140	A	64	Low	71.5	Confident	3 Å²	3	37 Å²	37	3%	0.025	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-61.7	127.6	-179	0	0	0	0	0	112	I1045 S1047 N1142 L1143	I1045-A1140 HydrophobicContact CB-CB 3.92Å; I1045-A1140 HydrophobicContact CG2-CB 3.7Å; I1045-A1140 WeakPolarHBondContact O-CB 3.27Å; I1045-A1140 PolarHBondContact O-N 3.22Å; S1047-A1140 WeakPolarHBondContact OG-CA 3.29Å; A1140-N1142 VanDerWaalsContact C-N 3.27Å; A1140-N1142 PolarHBondContact O-N 2.83Å; A1140-L1143 HydrophobicContact CB-CD1 4.04Å; A1140-L1143 HydrophobicContact CB-CG 4.14Å
1141	R	58.1	Low	69.8	Low	156 Å²	156	42.2 Å²	42.2	59%	0.589	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.8	-172.4	-65	-176.3	-177.9	175.6	2.6	114.8	Y1139	Y1139-R1141 PolarHBondContact O-N 2.83Å
1142	N	56.7	Low	68.4	Low	143 Å²	143	42.7 Å²	42.7	77%	0.765	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	10.4	-172.7	-63.1	-11.6	0	0	0	113.4	A1140	A1140-N1142 VanDerWaalsContact C-N 3.27Å; A1140-N1142 PolarHBondContact O-N 2.83Å
1143	L	56.9	Low	66.7	Low	37 Å²	37	43.1 Å²	43.1	19%	0.194	21%	0.213	C	C	.	.	S	Bend	trans	-95	155.1	-179.6	-68.5	-174.3	0	0	0	111.7	T829 I1045 Y1139 A1140	T829-L1143 HydrophobicContact CG2-CD1 4.05Å; T829-L1143 HydrophobicContact CG2-CD2 3.73Å; T829-L1143 HydrophobicContact CG2-CG 4.47Å; I1045-L1143 HydrophobicContact CB-CD1 3.78Å; I1045-L1143 HydrophobicContact CD1-CD1 3.95Å; I1045-L1143 HydrophobicContact CD1-CD2 4.13Å; I1045-L1143 HydrophobicContact CG1-CD1 3.96Å; Y1139-L1143 HydrophobicContact CD1-CB 4.49Å; Y1139-L1143 HydrophobicContact CD1-CD1 4.44Å; Y1139-L1143 HydrophobicContact CE1-CB 3.61Å; Y1139-L1143 HydrophobicContact CE1-CD1 3.54Å; Y1139-L1143 HydrophobicContact CE1-CG 4.16Å; Y1139-L1143 HydrophobicContact CE2-CD1 4.24Å; Y1139-L1143 WeakPolarHBondContact OH-CD1 3.46Å; A1140-L1143 HydrophobicContact CB-CD1 4.04Å; A1140-L1143 HydrophobicContact CB-CG 4.14Å
1144	P	58	Low	64.9	Low	36 Å²	36	49.3 Å²	49.3	23%	0.234	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-52.1	147.8	173.8	-23.9	33.3	0	0	0	111.3	L828 I1146	L828-P1144 WeakPolarHBondContact O-CG 3.2Å; P1144-I1146 PolarHBondContact O-N 3.38Å; P1144-I1146 VanDerWaalsContact O-N 3.17Å
1145	K	54.2	Low	63.2	Low	115 Å²	115	53 Å²	53	50%	0.5	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-51.9	125.3	174.6	-80.2	-174.2	177.9	178.8	0	109.6	F105	F105-K1145 VanDerWaalsContact CB-CE 3.45Å
1146	I	59.7	Low	61.9	Low	6 Å²	6	53.9 Å²	53.9	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-88	124.8	158.7	-51.6	-173	0	0	0	106.6	L828 Y1139 P1144 F1148 Y1149	L828-I1146 HydrophobicContact CD1-CG1 4.38Å; Y1139-I1146 HydrophobicContact CE1-CD1 3.91Å; Y1139-I1146 HydrophobicContact CE1-CG1 4.23Å; Y1139-I1146 HydrophobicContact CE2-CD1 3.91Å; P1144-I1146 PolarHBondContact O-N 3.38Å; P1144-I1146 VanDerWaalsContact O-N 3.17Å; I1146-F1148 HydrophobicContact CG2-CB 3.76Å; I1146-F1148 PolarHBondContact O-N 3.32Å; I1146-Y1149 HydrophobicContact CB-CD2 3.9Å; I1146-Y1149 HydrophobicContact CB-CE2 4.42Å; I1146-Y1149 HydrophobicContact CD1-CD2 4.28Å; I1146-Y1149 HydrophobicContact CD1-CE2 3.96Å; I1146-Y1149 HydrophobicContact CG1-CD2 4.26Å; I1146-Y1149 HydrophobicContact CG1-CE2 4.43Å; I1146-Y1149 PolarHBondContact O-N 2.95Å
1147	D	60.8	Low	60.4	Low	78 Å²	78	57.9 Å²	57.9	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-47.9	-38.8	178.2	-71.9	-16.7	0	0	0	112	Y1149 S1150 E1151	D1147-Y1149 VanDerWaalsContact C-N 3.34Å; D1147-Y1149 PolarHBondContact O-N 3.46Å; D1147-S1150 WeakPolarHBondContact O-CB 3.23Å; D1147-S1150 PolarHBondContact O-N 2.9Å; D1147-S1150 PolarHBondContact O-OG 3.38Å; D1147-E1151 PolarHBondContact O-N 3.37Å
1148	F	65.3	Low	59.1	Low	30 Å²	30	60.9 Å²	60.9	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-48.7	-47.7	174.9	176.7	-91.2	0	0	0	113.8	L901 I1059 F1060 H1063 I1146 S1150 E1151 C1152	L901-F1148 HydrophobicContact CD1-CD2 4.47Å; I1059-F1148 HydrophobicContact CG2-CE1 4.07Å; F1060-F1148 HydrophobicContact CB-CD1 4.23Å; F1060-F1148 HydrophobicContact CB-CE1 4.24Å; F1060-F1148 HydrophobicContact CD2-CB 4.36Å; F1060-F1148 AromaticContact CD2-CD1 3.9Å; F1060-F1148 HydrophobicContact CD2-CD1 3.9Å; F1060-F1148 HydrophobicContact CD2-CE1 4.49Å; F1060-F1148 AromaticContact CD2-CG 3.97Å; F1060-F1148 HydrophobicContact CD2-CG 3.97Å; H1063-F1148 HydrophobicContact CB-CE2 4.13Å; H1063-F1148 HydrophobicContact CB-CZ 4.32Å; H1063-F1148 AromaticContact CD2-CE2 3.77Å; H1063-F1148 AromaticContact CD2-CZ 3.23Å; H1063-F1148 WeakPolarHBondContact CD2-CZ 3.29Å; H1063-F1148 AromaticContact CG-CE2 3.9Å; H1063-F1148 AromaticContact CG-CZ 3.84Å; I1146-F1148 HydrophobicContact CG2-CB 3.76Å; I1146-F1148 PolarHBondContact O-N 3.32Å; F1148-S1150 VanDerWaalsContact C-N 3.33Å; F1148-S1150 PolarHBondContact O-N 3.41Å; F1148-E1151 PolarHBondContact O-N 3.22Å; F1148-C1152 HydrophobicContact CE1-CB 4.23Å; F1148-C1152 HydrophobicContact CZ-CB 4.38Å; F1148-C1152 WeakPolarHBondContact O-CB 3.48Å; F1148-C1152 PolarHBondContact O-N 3.17Å
1149	Y	65.3	Low	58.5	Low	17 Å²	17	63.8 Å²	63.8	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-68.8	-34.4	-178.2	-75	-59.4	0	0	0	112	P108 I1059 F1060 Y1139 I1146 D1147 C1152 F1153	P108-Y1149 HydrophobicContact CG-CG 4.37Å; I1059-Y1149 HydrophobicContact CG2-CD1 4.29Å; I1059-Y1149 HydrophobicContact CG2-CE1 3.53Å; F1060-Y1149 VanDerWaalsContact CB-OH 3.25Å; F1060-Y1149 WeakPolarHBondContact CB-OH 3.45Å; Y1139-Y1149 VanDerWaalsContact CB-OH 3.3Å; Y1139-Y1149 WeakPolarHBondContact CB-OH 3.17Å; Y1139-Y1149 HydrophobicContact CD1-CD2 4.39Å; Y1139-Y1149 AromaticContact CD1-CE2 3.78Å; Y1139-Y1149 HydrophobicContact CD1-CE2 3.78Å; Y1139-Y1149 HydrophobicContact CD2-CE2 4.01Å; Y1139-Y1149 HydrophobicContact CE1-CE2 4.41Å; Y1139-Y1149 AromaticContact CG-CE2 3.55Å; Y1139-Y1149 HydrophobicContact CG-CE2 3.55Å; Y1139-Y1149 AromaticContact CG-CZ 3.92Å; I1146-Y1149 HydrophobicContact CB-CD2 3.9Å; I1146-Y1149 HydrophobicContact CB-CE2 4.42Å; I1146-Y1149 HydrophobicContact CD1-CD2 4.28Å; I1146-Y1149 HydrophobicContact CD1-CE2 3.96Å; I1146-Y1149 HydrophobicContact CG1-CD2 4.26Å; I1146-Y1149 HydrophobicContact CG1-CE2 4.43Å; I1146-Y1149 PolarHBondContact O-N 2.95Å; D1147-Y1149 VanDerWaalsContact C-N 3.34Å; D1147-Y1149 PolarHBondContact O-N 3.46Å; Y1149-C1152 PolarHBondContact O-N 3.21Å; Y1149-F1153 HydrophobicContact CD1-CD2 4.18Å; Y1149-F1153 AromaticContact CD1-CE2 3.62Å; Y1149-F1153 HydrophobicContact CD1-CE2 3.62Å; Y1149-F1153 HydrophobicContact CE1-CE2 4.31Å; Y1149-F1153 HydrophobicContact CG-CE2 4.47Å; Y1149-F1153 VanDerWaalsContact O-CD2 3.26Å; Y1149-F1153 WeakPolarHBondContact O-CD2 3.28Å; Y1149-F1153 PolarHBondContact O-N 2.76Å
1150	S	61.8	Low	58.6	Low	45 Å²	45	65.8 Å²	65.8	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-43.8	177.5	75.2	0	0	0	0	111.9	D1147 F1148 N1154	D1147-S1150 WeakPolarHBondContact O-CB 3.23Å; D1147-S1150 PolarHBondContact O-N 2.9Å; D1147-S1150 PolarHBondContact O-OG 3.38Å; F1148-S1150 VanDerWaalsContact C-N 3.33Å; F1148-S1150 PolarHBondContact O-N 3.41Å; S1150-N1154 WeakPolarHBondContact O-CB 3.45Å; S1150-N1154 PolarHBondContact O-N 2.85Å; S1150-N1154 VanDerWaalsContact O-N 3.12Å; S1150-N1154 PolarHBondContact O-ND2 2.81Å
1151	E	62.2	Low	59.6	Low	110 Å²	110	69.6 Å²	69.6	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-68.4	-36.5	177.3	-65.3	-170.1	156.3	0	0	112.6	D1147 F1148 N1155	D1147-E1151 PolarHBondContact O-N 3.37Å; F1148-E1151 PolarHBondContact O-N 3.22Å; E1151-N1155 PolarHBondContact O-ND2 3.36Å
1152	C	66.5	Low	61.1	Low	9 Å²	9	62.2 Å²	62.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-67.5	-50.7	-178.5	173.3	0	0	0	0	112.5	C1100 F1148 Y1149	C1100-C1152 HydrophobicContact CB-CB 4.4Å; C1100-C1152 WeakPolarHBondContact CB-SG 3.47Å; C1100-C1152 VanDerWaalsContact SG-C 3.55Å; C1100-C1152 WeakPolarHBondContact SG-CA 3.4Å; C1100-C1152 WeakPolarHBondContact SG-CB 3.48Å; C1100-C1152 PolarHBondContact SG-O 3.26Å; C1100-C1152 VanDerWaalsContact SG-O 3.39Å; C1100-C1152 CovalentContact SG-SG 2Å; C1100-C1152 PolarHBondContact SG-SG 3.29Å; F1148-C1152 HydrophobicContact CE1-CB 4.23Å; F1148-C1152 HydrophobicContact CZ-CB 4.38Å; F1148-C1152 WeakPolarHBondContact O-CB 3.48Å; F1148-C1152 PolarHBondContact O-N 3.17Å; Y1149-C1152 PolarHBondContact O-N 3.21Å
1153	F	60.6	Low	62.7	Low	32 Å²	32	57.6 Å²	57.6	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-79.8	-39.4	-176.2	-73.5	-76.9	0	0	0	112.3	P108 V109 Y1149 N1155 H1156 V1157	P108-F1153 HydrophobicContact CB-CD1 4.43Å; P108-F1153 HydrophobicContact CB-CD2 3.18Å; P108-F1153 HydrophobicContact CB-CE1 4.44Å; P108-F1153 HydrophobicContact CB-CE2 3.17Å; P108-F1153 HydrophobicContact CB-CG 3.85Å; P108-F1153 HydrophobicContact CB-CZ 3.85Å; P108-F1153 HydrophobicContact CG-CD2 4.36Å; P108-F1153 HydrophobicContact CG-CE2 4.17Å; V109-F1153 WeakPolarHBondContact O-CE1 3.47Å; Y1149-F1153 HydrophobicContact CD1-CD2 4.18Å; Y1149-F1153 AromaticContact CD1-CE2 3.62Å; Y1149-F1153 HydrophobicContact CD1-CE2 3.62Å; Y1149-F1153 HydrophobicContact CE1-CE2 4.31Å; Y1149-F1153 HydrophobicContact CG-CE2 4.47Å; Y1149-F1153 VanDerWaalsContact O-CD2 3.26Å; Y1149-F1153 WeakPolarHBondContact O-CD2 3.28Å; Y1149-F1153 PolarHBondContact O-N 2.76Å; F1153-N1155 PolarHBondContact O-N 3.17Å; F1153-H1156 PolarHBondContact O-N 2.66Å; F1153-V1157 HydrophobicContact CB-CG2 4.25Å; F1153-V1157 WeakPolarHBondContact O-CG2 3.49Å; F1153-V1157 PolarHBondContact O-N 3.39Å
1154	N	53.1	Low	64.2	Low	133 Å²	133	55.9 Å²	55.9	71%	0.711	31%	0.305	S	S	*	.	H	α-helix	trans	-59	-24.1	-176.7	-74.2	-19.7	0	0	0	114.4	S1150	S1150-N1154 WeakPolarHBondContact O-CB 3.45Å; S1150-N1154 PolarHBondContact O-N 2.85Å; S1150-N1154 VanDerWaalsContact O-N 3.12Å; S1150-N1154 PolarHBondContact O-ND2 2.81Å
1155	N	51.9	Low	65.6	Low	87 Å²	87	58 Å²	58	47%	0.465	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-18.5	-178.1	-71.4	-41.5	0	0	0	114.6	E1151 F1153	E1151-N1155 PolarHBondContact O-ND2 3.36Å; F1153-N1155 PolarHBondContact O-N 3.17Å
1156	H	52.9	Low	67.2	Low	22 Å²	22	56.5 Å²	56.5	10%	0.102	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	12.7	-162.7	-68.5	-64.5	0	0	0	116.4	F1096 P1099 F1153 G1158 Q1159	F1096-H1156 AromaticContact CD2-CE1 3.6Å; F1096-H1156 PolarHBondContact O-NE2 3.43Å; P1099-H1156 HydrophobicContact CB-CB 4.17Å; F1153-H1156 PolarHBondContact O-N 2.66Å; H1156-G1158 PolarHBondContact O-N 2.84Å; H1156-Q1159 PolarHBondContact O-N 2.81Å
1157	V	41.7	Very low	68.6	Low	100 Å²	100	56.6 Å²	56.6	61%	0.606	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	112.1	-179.3	-169.5	0	0	0	0	111.1	F1153	F1153-V1157 HydrophobicContact CB-CG2 4.25Å; F1153-V1157 WeakPolarHBondContact O-CG2 3.49Å; F1153-V1157 PolarHBondContact O-N 3.39Å
1158	G	51.4	Low	69.9	Low	68 Å²	68	53 Å²	53	70%	0.701	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	1.7	169.4	0	0	0	0	0	116.9	H1156 N1160	H1156-G1158 PolarHBondContact O-N 2.84Å; G1158-N1160 PolarHBondContact O-N 3.47Å; G1158-N1160 VanDerWaalsContact O-N 3.13Å
1159	Q	59.8	Low	70.6	Confident	86 Å²	86	53.4 Å²	53.4	40%	0.402	30%	0.3	S	S	.	.			trans	-82.2	87.5	172.1	-70	-169.1	-0.1	0	0	110.8	H1156 E1161	H1156-Q1159 PolarHBondContact O-N 2.81Å; Q1159-E1161 PolarHBondContact O-N 3.39Å
1160	N	70.6	Confident	71.2	Confident	69 Å²	69	55.4 Å²	55.4	37%	0.369	32%	0.316	S	S	.	.			trans	-71.5	-7.2	168.4	-77.3	-6.4	0	0	0	112.5	Y1102 R1133 G1158 H1206	Y1102-N1160 PolarHBondContact OH-O 2.9Å; R1133-N1160 PolarHBondContact NH2-OD1 3.42Å; R1133-N1160 VanDerWaalsContact NH2-OD1 3.16Å; G1158-N1160 PolarHBondContact O-N 3.47Å; G1158-N1160 VanDerWaalsContact O-N 3.13Å; N1160-H1206 PolarHBondContact O-ND1 3.04Å
1161	E	84.9	Confident	72.1	Confident	82 Å²	82	54 Å²	54	38%	0.383	31%	0.305	S	S	.	.	S	Bend	trans	-127.2	136.9	-174.1	-63.7	-179.7	157.6	0	0	110.9	Q1159 R1204 I1205 H1206	Q1159-E1161 PolarHBondContact O-N 3.39Å; E1161-R1204 HydrophobicContact CB-CB 4.21Å; E1161-R1204 WeakPolarHBondContact OE2-CD 3.5Å; E1161-R1204 IonicContact OE2-CZ 3.8Å; E1161-R1204 IonicContact OE2-NE 3.79Å; E1161-R1204 IonicContact OE2-NH1 2.94Å; E1161-R1204 PolarHBondContact OE2-NH1 3.44Å; E1161-I1205 CarbonylContact C-O 3.57Å; E1161-I1205 WeakPolarHBondContact CA-O 3.36Å; E1161-H1206 HydrophobicContact CG-CB 4.41Å
1162	L	89.1	Confident	72.8	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.1	173.8	-58.3	-175.9	0	0	0	110.4	L1098 P1099 Y1102 F1131 I1164 L1167 R1204 I1205	L1098-L1162 HydrophobicContact CD2-CD1 4.25Å; L1098-L1162 HydrophobicContact CD2-CD2 4.13Å; P1099-L1162 VanDerWaalsContact CD-CD2 3.48Å; P1099-L1162 HydrophobicContact CG-CD2 3.7Å; Y1102-L1162 HydrophobicContact CD1-CD1 3.57Å; Y1102-L1162 HydrophobicContact CD1-CD2 3.95Å; Y1102-L1162 HydrophobicContact CD1-CG 3.92Å; Y1102-L1162 HydrophobicContact CD2-CD2 4.34Å; Y1102-L1162 HydrophobicContact CE1-CD1 3.64Å; Y1102-L1162 HydrophobicContact CE1-CD2 4.03Å; Y1102-L1162 HydrophobicContact CE1-CG 3.68Å; Y1102-L1162 HydrophobicContact CE2-CD2 4.43Å; Y1102-L1162 HydrophobicContact CG-CD1 4.42Å; Y1102-L1162 HydrophobicContact CG-CD2 4.07Å; F1131-L1162 HydrophobicContact CD1-CD1 3.95Å; F1131-L1162 HydrophobicContact CD2-CD1 4.24Å; F1131-L1162 HydrophobicContact CE1-CD1 3.9Å; F1131-L1162 HydrophobicContact CE2-CD1 4.18Å; F1131-L1162 HydrophobicContact CG-CD1 4.11Å; F1131-L1162 HydrophobicContact CZ-CD1 4.01Å; L1162-I1164 PolarHBondContact O-N 2.89Å; L1162-L1167 HydrophobicContact CB-CD1 3.75Å; L1162-L1167 HydrophobicContact CD1-CD1 4.4Å; L1162-L1167 HydrophobicContact CD2-CD1 4.13Å; L1162-L1167 HydrophobicContact CG-CD1 4.32Å; L1162-R1204 CarbonylContact O-C 3.58Å; L1162-R1204 VanDerWaalsContact O-CA 3.24Å; L1162-R1204 WeakPolarHBondContact O-CA 3.49Å; L1162-I1205 HydrophobicContact CB-CB 4.3Å; L1162-I1205 PolarHBondContact N-O 2.95Å; L1162-I1205 PolarHBondContact O-N 3.13Å
1163	N	89.6	Confident	73.2	Confident	46 Å²	46	54.9 Å²	54.9	25%	0.246	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.3	172.9	-175.9	-12.4	0	0	0	110.9	H1165 E1166 L1167	N1163-H1165 PolarHBondContact O-N 3.43Å; N1163-H1165 PolarHBondContact OD1-N 3.49Å; N1163-E1166 HydrophobicContact CB-CB 3.84Å; N1163-E1166 PolarHBondContact O-N 3.03Å; N1163-E1166 PolarHBondContact OD1-N 3.38Å; N1163-L1167 WeakPolarHBondContact O-CG 3.07Å; N1163-L1167 PolarHBondContact O-N 3.3Å
1164	I	88.3	Confident	74.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-38.7	-174.4	-58.6	-62.9	0	0	0	112.4	L1162 E1166 F1168 L1173 A1176 N1203 I1205 L1217	L1162-I1164 PolarHBondContact O-N 2.89Å; I1164-E1166 VanDerWaalsContact C-N 3.28Å; I1164-E1166 PolarHBondContact O-N 2.94Å; I1164-F1168 HydrophobicContact CD1-CD2 4.38Å; I1164-F1168 HydrophobicContact CD1-CE2 4.36Å; I1164-F1168 HydrophobicContact CG2-CD2 4.25Å; I1164-F1168 PolarHBondContact O-N 2.89Å; I1164-L1173 HydrophobicContact CG2-CB 4.33Å; I1164-L1173 HydrophobicContact CG2-CD1 4.36Å; I1164-A1176 HydrophobicContact CG1-CB 4.17Å; I1164-N1203 PolarHBondContact N-O 3.45Å; I1164-N1203 VanDerWaalsContact N-O 3.07Å; I1164-I1205 HydrophobicContact CD1-CB 4.42Å; I1164-I1205 HydrophobicContact CD1-CD1 3.24Å; I1164-I1205 HydrophobicContact CD1-CG1 3.68Å; I1164-I1205 HydrophobicContact CG1-CD1 4.02Å; I1164-I1205 HydrophobicContact CG1-CG1 4.03Å; I1164-L1217 HydrophobicContact CD1-CD2 3.98Å; I1164-L1217 HydrophobicContact CG2-CD2 4.1Å
1165	H	87.8	Confident	75.7	Confident	80 Å²	80	54.8 Å²	54.8	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-65.8	-35.5	178.7	-68.1	-80.1	0	0	0	111.8	N1163 G1169 L1173 K1174 N1203	N1163-H1165 PolarHBondContact O-N 3.43Å; N1163-H1165 PolarHBondContact OD1-N 3.49Å; H1165-G1169 WeakPolarHBondContact O-CA 3.3Å; H1165-G1169 PolarHBondContact O-N 2.9Å; H1165-L1173 PolarHBondContact CE1-O 3.33Å; H1165-L1173 PolarHBondContact ND1-O 3.27Å; H1165-K1174 PolarHBondContact CE1-O 2.94Å; H1165-K1174 PolarHBondContact NE2-O 3.08Å; H1165-N1203 PolarHBondContact NE2-OD1 3.06Å; H1165-N1203 VanDerWaalsContact NE2-OD1 3.09Å
1166	E	88	Confident	77.4	Confident	84 Å²	84	50.6 Å²	50.6	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-74.4	-47	-179.8	-156.4	-176.1	150.4	0	0	111.1	P1094 F1096 N1163 I1164	P1094-E1166 WeakPolarHBondContact CG-O 3.37Å; F1096-E1166 HydrophobicContact CE1-CG 4.26Å; F1096-E1166 WeakPolarHBondContact CE1-OE1 3.32Å; F1096-E1166 HydrophobicContact CZ-CG 3.81Å; F1096-E1166 VanDerWaalsContact CZ-OE1 3.23Å; F1096-E1166 WeakPolarHBondContact CZ-OE1 3.26Å; N1163-E1166 HydrophobicContact CB-CB 3.84Å; N1163-E1166 PolarHBondContact O-N 3.03Å; N1163-E1166 PolarHBondContact OD1-N 3.38Å; I1164-E1166 VanDerWaalsContact C-N 3.28Å; I1164-E1166 PolarHBondContact O-N 2.94Å
1167	L	88.6	Confident	79.2	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-73.4	-41.9	-176.4	-71.8	168.7	0	0	0	113.2	I1093 P1094 F1096 L1098 L1162 N1163	I1093-L1167 WeakPolarHBondContact CG2-O 3.25Å; P1094-L1167 VanDerWaalsContact CD-O 3.23Å; P1094-L1167 WeakPolarHBondContact CD-O 3.44Å; F1096-L1167 HydrophobicContact CE2-CD2 3.81Å; F1096-L1167 HydrophobicContact CZ-CD2 4.39Å; L1098-L1167 HydrophobicContact CD2-CD1 3.72Å; L1098-L1167 HydrophobicContact CD2-CD2 3.86Å; L1098-L1167 HydrophobicContact CD2-CG 4.43Å; L1162-L1167 HydrophobicContact CB-CD1 3.75Å; L1162-L1167 HydrophobicContact CD1-CD1 4.4Å; L1162-L1167 HydrophobicContact CD2-CD1 4.13Å; L1162-L1167 HydrophobicContact CG-CD1 4.32Å; N1163-L1167 WeakPolarHBondContact O-CG 3.07Å; N1163-L1167 PolarHBondContact O-N 3.3Å
1168	F	88.5	Confident	81.5	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.018	27%	0.265	C	S	.	.	S	Bend	trans	-116.7	20.7	-173.5	-55.7	-77.2	0	0	0	113	Y527 I1093 F1131 I1164 S1170 I1171 L1173 L1217	Y527-F1168 WeakPolarHBondContact OH-CD1 3.37Å; I1093-F1168 HydrophobicContact CG2-CD1 4.39Å; I1093-F1168 HydrophobicContact CG2-CE1 4.34Å; F1131-F1168 AromaticContact CZ-CE2 3.84Å; F1131-F1168 HydrophobicContact CZ-CE2 3.84Å; F1131-F1168 AromaticContact CZ-CZ 3.79Å; F1131-F1168 HydrophobicContact CZ-CZ 3.79Å; I1164-F1168 HydrophobicContact CD1-CD2 4.38Å; I1164-F1168 HydrophobicContact CD1-CE2 4.36Å; I1164-F1168 HydrophobicContact CG2-CD2 4.25Å; I1164-F1168 PolarHBondContact O-N 2.89Å; F1168-S1170 PolarHBondContact O-N 3.39Å; F1168-I1171 HydrophobicContact CB-CD1 4.34Å; F1168-I1171 HydrophobicContact CB-CG1 4.11Å; F1168-I1171 WeakPolarHBondContact O-CG1 3.38Å; F1168-I1171 PolarHBondContact O-N 3.41Å; F1168-L1173 HydrophobicContact CB-CD1 3.56Å; F1168-L1173 HydrophobicContact CG-CD1 4.21Å; F1168-L1217 HydrophobicContact CD2-CD1 3.85Å; F1168-L1217 HydrophobicContact CE2-CD1 3.96Å; F1168-L1217 HydrophobicContact CG-CD1 4.18Å; F1168-L1217 HydrophobicContact CZ-CD1 4.39Å
1169	G	79.1	Confident	83.4	Confident	38 Å²	38	46.3 Å²	46.3	39%	0.392	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-57.2	-24.1	-178.9	0	0	0	0	0	114.3	H1165 I1171 Q1172	H1165-G1169 WeakPolarHBondContact O-CA 3.3Å; H1165-G1169 PolarHBondContact O-N 2.9Å; G1169-I1171 PolarHBondContact O-N 2.95Å; G1169-Q1172 PolarHBondContact O-N 2.81Å; G1169-Q1172 VanDerWaalsContact O-N 3.07Å
1170	S	79.4	Confident	85	Confident	58 Å²	58	44.3 Å²	44.3	41%	0.406	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.8	-25.8	174.8	53.3	0	0	0	0	113.6	Y527 L1092 F1168	Y527-S1170 WeakPolarHBondContact CE1-OG 3.12Å; L1092-S1170 PolarHBondContact O-OG 3.02Å; F1168-S1170 PolarHBondContact O-N 3.39Å
1171	I	80.8	Confident	86.3	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.077	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-107.9	11.1	175.8	54.9	165.4	0	0	0	113.7	Y527 Q530 M1107 F1168 G1169 L1173	Y527-I1171 HydrophobicContact CD1-CG2 3.59Å; Y527-I1171 HydrophobicContact CE1-CG1 4.5Å; Y527-I1171 HydrophobicContact CE1-CG2 3.85Å; Q530-I1171 HydrophobicContact CB-CB 4.24Å; Q530-I1171 HydrophobicContact CB-CG2 3.93Å; M1107-I1171 HydrophobicContact CE-CD1 3.71Å; F1168-I1171 HydrophobicContact CB-CD1 4.34Å; F1168-I1171 HydrophobicContact CB-CG1 4.11Å; F1168-I1171 WeakPolarHBondContact O-CG1 3.38Å; F1168-I1171 PolarHBondContact O-N 3.41Å; G1169-I1171 PolarHBondContact O-N 2.95Å; I1171-L1173 HydrophobicContact CD1-CD1 3.47Å; I1171-L1173 VanDerWaalsContact CD1-CD1 3.47Å; I1171-L1173 HydrophobicContact CD1-CD2 4.24Å; I1171-L1173 HydrophobicContact CD1-CG 3.88Å; I1171-L1173 HydrophobicContact CG1-CD1 3.78Å; I1171-L1173 HydrophobicContact CG1-CG 3.89Å; I1171-L1173 PolarHBondContact O-N 2.89Å
1172	Q	75.7	Confident	86.7	Confident	129 Å²	129	37.3 Å²	37.3	60%	0.603	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.6	171.1	-61	-173.1	-20.5	0	0	115.4	G1169	G1169-Q1172 PolarHBondContact O-N 2.81Å; G1169-Q1172 VanDerWaalsContact O-N 3.07Å
1173	L	76.1	Confident	86.8	Confident	10 Å²	10	37.2 Å²	37.2	5%	0.052	19%	0.193	C	C	.	.			trans	-70.2	147.7	176.8	-63.7	163.2	0	0	0	111.3	I1164 H1165 F1168 I1171 L1217	I1164-L1173 HydrophobicContact CG2-CB 4.33Å; I1164-L1173 HydrophobicContact CG2-CD1 4.36Å; H1165-L1173 PolarHBondContact CE1-O 3.33Å; H1165-L1173 PolarHBondContact ND1-O 3.27Å; F1168-L1173 HydrophobicContact CB-CD1 3.56Å; F1168-L1173 HydrophobicContact CG-CD1 4.21Å; I1171-L1173 HydrophobicContact CD1-CD1 3.47Å; I1171-L1173 VanDerWaalsContact CD1-CD1 3.47Å; I1171-L1173 HydrophobicContact CD1-CD2 4.24Å; I1171-L1173 HydrophobicContact CD1-CG 3.88Å; I1171-L1173 HydrophobicContact CG1-CD1 3.78Å; I1171-L1173 HydrophobicContact CG1-CG 3.89Å; I1171-L1173 PolarHBondContact O-N 2.89Å; L1173-L1217 HydrophobicContact CD1-CB 3.51Å; L1173-L1217 HydrophobicContact CD1-CD1 3.55Å; L1173-L1217 HydrophobicContact CD1-CG 4.13Å; L1173-L1217 HydrophobicContact CD2-CB 3.81Å; L1173-L1217 HydrophobicContact CG-CB 4.16Å
1174	K	79.6	Confident	86.8	Confident	149 Å²	149	35.1 Å²	35.1	65%	0.648	18%	0.181	S	C	*	.			trans	-94.6	-40.3	-178.4	-65	177.4	-179	172.9	0	112.8	H1165 N1203 V1218	H1165-K1174 PolarHBondContact CE1-O 2.94Å; H1165-K1174 PolarHBondContact NE2-O 3.08Å; K1174-N1203 PolarHBondContact O-OD1 3.41Å; K1174-N1203 VanDerWaalsContact O-OD1 3.12Å; K1174-V1218 CarbonylContact C-O 3.56Å; K1174-V1218 VanDerWaalsContact CA-O 3.29Å; K1174-V1218 WeakPolarHBondContact CA-O 3.4Å; K1174-V1218 VanDerWaalsContact CB-O 3.27Å; K1174-V1218 WeakPolarHBondContact CB-O 3.39Å; K1174-V1218 PolarHBondContact N-O 3.23Å
1175	H	85.7	Confident	86.4	Confident	13 Å²	13	35.4 Å²	35.4	6%	0.06	18%	0.184	C	C	.	.			trans	-166.2	169.7	-174.6	57.5	-57.9	0	0	0	111.6	Y1197 K1201 M1202 V1218	H1175-Y1197 PolarHBondContact NE2-OH 3.4Å; H1175-K1201 HydrophobicContact CB-CB 4.37Å; H1175-K1201 VanDerWaalsContact CD2-CD 3.45Å; H1175-K1201 WeakPolarHBondContact CD2-CD 3.49Å; H1175-K1201 WeakPolarHBondContact CD2-CG 3.38Å; H1175-K1201 VanDerWaalsContact NE2-CE 3.29Å; H1175-K1201 WeakPolarHBondContact NE2-CE 3.31Å; H1175-M1202 CarbonylContact C-O 3.57Å; H1175-V1218 PolarHBondContact N-O 3Å; H1175-V1218 PolarHBondContact ND1-O 3.15Å; H1175-V1218 PolarHBondContact O-N 3.16Å
1176	A	88.8	Confident	85.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.7	172.3	0	0	0	0	0	111.8	I1164 M1202 I1205 Y1216 L1217	I1164-A1176 HydrophobicContact CG1-CB 4.17Å; A1176-M1202 PolarHBondContact N-O 2.97Å; A1176-M1202 PolarHBondContact O-N 3.5Å; A1176-I1205 HydrophobicContact CB-CD1 3.77Å; A1176-I1205 HydrophobicContact CB-CG1 4.03Å; A1176-Y1216 CarbonylContact C-O 3.56Å; A1176-Y1216 WeakPolarHBondContact CA-O 3.45Å; A1176-L1217 HydrophobicContact CB-CD2 3.84Å
1177	I	89.1	Confident	84.3	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.3	173.6	-55.2	156.9	0	0	0	108.4	F1119 Y1197 M1200 Y1215 Y1216 V1218	F1119-I1177 HydrophobicContact CD1-CB 4.43Å; F1119-I1177 HydrophobicContact CD1-CD1 3.63Å; F1119-I1177 HydrophobicContact CD1-CG2 4.39Å; F1119-I1177 HydrophobicContact CE1-CB 4.07Å; F1119-I1177 HydrophobicContact CE1-CD1 3.77Å; F1119-I1177 HydrophobicContact CE1-CG2 3.57Å; F1119-I1177 HydrophobicContact CG-CD1 4.4Å; F1119-I1177 HydrophobicContact CZ-CG2 4.3Å; I1177-Y1197 HydrophobicContact CD1-CE2 3.67Å; I1177-Y1197 WeakPolarHBondContact CD1-OH 3.19Å; I1177-Y1197 HydrophobicContact CG1-CE2 4.41Å; I1177-M1200 HydrophobicContact CG2-CB 4.37Å; I1177-Y1215 CarbonylContact O-C 3.55Å; I1177-Y1215 VanDerWaalsContact O-CA 3.25Å; I1177-Y1215 WeakPolarHBondContact O-CA 3.12Å; I1177-Y1216 PolarHBondContact N-O 3.11Å; I1177-Y1216 PolarHBondContact O-N 3.24Å; I1177-V1218 HydrophobicContact CD1-CG2 3.86Å
1178	Q	90.7	Very high	82.4	Confident	84 Å²	84	37.4 Å²	37.4	39%	0.393	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142.1	178.5	-166.8	177.7	7.6	0	0	112	E1213 Y1215	Q1178-E1213 VanDerWaalsContact NE2-CD 3.26Å; Q1178-E1213 PolarHBondContact NE2-OE2 3.47Å; Q1178-Y1215 HydrophobicContact CB-CD1 3.78Å; Q1178-Y1215 HydrophobicContact CB-CE1 3.63Å; Q1178-Y1215 HydrophobicContact CG-CD1 4.12Å; Q1178-Y1215 HydrophobicContact CG-CE1 3.68Å
1179	T	91.3	Very high	80.6	Confident	14 Å²	14	41 Å²	41	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	173.2	175	59.2	0	0	0	0	110.6	M1183 P1185 A1214 Y1216	T1179-M1183 WeakPolarHBondContact OG1-CA 3.45Å; T1179-P1185 HydrophobicContact CG2-CG 4.32Å; T1179-A1214 PolarHBondContact N-O 3.42Å; T1179-Y1216 HydrophobicContact CG2-CD2 3.67Å; T1179-Y1216 HydrophobicContact CG2-CE2 4.03Å
1180	N	93.7	Very high	79	Confident	45 Å²	45	41.6 Å²	41.6	24%	0.241	23%	0.233	C	C	.	.			trans	-66.7	171.4	160.7	65.6	-5.8	0	0	0	110.7	K297 L298 T1182 M1183 I1184 A1214	K297-N1180 WeakPolarHBondContact O-CB 3.37Å; L298-N1180 PolarHBondContact O-ND2 2.86Å; N1180-T1182 VanDerWaalsContact CG-OG1 3.29Å; N1180-T1182 PolarHBondContact ND2-OG1 2.86Å; N1180-T1182 PolarHBondContact O-N 3.39Å; N1180-T1182 PolarHBondContact OD1-OG1 3.39Å; N1180-T1182 VanDerWaalsContact OD1-OG1 3.04Å; N1180-M1183 PolarHBondContact O-N 3.36Å; N1180-M1183 PolarHBondContact OD1-N 3.27Å; N1180-I1184 PolarHBondContact OD1-N 2.82Å; N1180-I1184 PolarHBondContact OD1-O 3.27Å; N1180-I1184 VanDerWaalsContact OD1-O 3.05Å; N1180-A1214 VanDerWaalsContact O-CB 3.29Å; N1180-A1214 WeakPolarHBondContact O-CB 3.46Å
1181	L	96.7	Very high	77.5	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.7	-177.7	-67.8	179	0	0	0	114.2	I258 I262 L294 K297 L298 I1130 M1183 I1212 A1214	I258-L1181 HydrophobicContact CD1-CD1 4.03Å; I258-L1181 HydrophobicContact CG1-CD1 4.17Å; I258-L1181 HydrophobicContact CG2-CB 4.35Å; I262-L1181 WeakPolarHBondContact CG1-O 3.1Å; L294-L1181 HydrophobicContact CD2-CD1 4.15Å; K297-L1181 HydrophobicContact CB-CD1 3.39Å; K297-L1181 HydrophobicContact CB-CG 3.73Å; K297-L1181 HydrophobicContact CG-CD1 4.44Å; K297-L1181 PolarHBondContact O-N 3.12Å; L298-L1181 HydrophobicContact CD2-CB 3.81Å; L298-L1181 HydrophobicContact CG-CB 4.24Å; I1130-L1181 HydrophobicContact CD1-CD2 4.34Å; I1130-L1181 HydrophobicContact CG2-CD2 4.11Å; L1181-M1183 PolarHBondContact O-N 3.08Å; L1181-I1212 HydrophobicContact CD1-CG2 4Å; L1181-I1212 HydrophobicContact CD2-CD1 4.48Å; L1181-I1212 HydrophobicContact CD2-CG1 4.14Å; L1181-I1212 HydrophobicContact CD2-CG2 4.16Å; L1181-A1214 HydrophobicContact CD2-CB 4.14Å
1182	T	94.5	Very high	76.1	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7	173.1	63.5	0	0	0	0	112.6	H265 H266 L298 N1180 I1184	H265-T1182 HydrophobicContact CB-CG2 4.08Å; H266-T1182 PolarHBondContact CD2-O 3.43Å; H266-T1182 PolarHBondContact NE2-O 2.93Å; L298-T1182 HydrophobicContact CB-CG2 4.34Å; L298-T1182 HydrophobicContact CD2-CG2 3.45Å; L298-T1182 VanDerWaalsContact CD2-CG2 3.45Å; N1180-T1182 VanDerWaalsContact CG-OG1 3.29Å; N1180-T1182 PolarHBondContact ND2-OG1 2.86Å; N1180-T1182 PolarHBondContact O-N 3.39Å; N1180-T1182 PolarHBondContact OD1-OG1 3.39Å; N1180-T1182 VanDerWaalsContact OD1-OG1 3.04Å; T1182-I1184 PolarHBondContact O-N 2.92Å
1183	M	91.5	Very high	75.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.			trans	55.3	30.4	-173	-55.9	-179.3	-179.1	0	0	112.1	T1106 F1110 G1128 I1130 T1179 N1180 L1181 A1214 Y1216	T1106-M1183 HydrophobicContact CG2-CE 4.41Å; F1110-M1183 HydrophobicContact CE2-CB 4.22Å; F1110-M1183 HydrophobicContact CE2-CG 4.48Å; F1110-M1183 HydrophobicContact CE2-SD 3.33Å; F1110-M1183 WeakPolarHBondContact CE2-SD 3.42Å; F1110-M1183 HydrophobicContact CZ-CB 4.2Å; F1110-M1183 HydrophobicContact CZ-CG 4.39Å; F1110-M1183 HydrophobicContact CZ-SD 3.4Å; F1110-M1183 WeakPolarHBondContact CZ-SD 3.38Å; G1128-M1183 WeakPolarHBondContact CA-SD 3.44Å; I1130-M1183 HydrophobicContact CB-CE 4.47Å; I1130-M1183 HydrophobicContact CD1-CE 3.76Å; I1130-M1183 HydrophobicContact CG1-CE 3.18Å; T1179-M1183 WeakPolarHBondContact OG1-CA 3.45Å; N1180-M1183 PolarHBondContact O-N 3.36Å; N1180-M1183 PolarHBondContact OD1-N 3.27Å; L1181-M1183 PolarHBondContact O-N 3.08Å; M1183-A1214 HydrophobicContact CG-CB 4.18Å; M1183-Y1216 HydrophobicContact CB-CE2 4.19Å; M1183-Y1216 WeakPolarHBondContact O-CE2 3.28Å; M1183-Y1216 PolarHBondContact O-OH 2.57Å
1184	I	89.2	Confident	74.4	Confident	2 Å²	2	47 Å²	47	1%	0.01	27%	0.266	C	S	.	.			trans	-108.4	112.2	174.3	-62.2	177.5	0	0	0	107.4	H265 L269 N1180 T1182 S1186	H265-I1184 HydrophobicContact CB-CD1 3.67Å; L269-I1184 HydrophobicContact CB-CD1 4.3Å; L269-I1184 HydrophobicContact CD2-CD1 4.16Å; L269-I1184 HydrophobicContact CD2-CG1 4.27Å; L269-I1184 HydrophobicContact CD2-CG2 3.86Å; N1180-I1184 PolarHBondContact OD1-N 2.82Å; N1180-I1184 PolarHBondContact OD1-O 3.27Å; N1180-I1184 VanDerWaalsContact OD1-O 3.05Å; T1182-I1184 PolarHBondContact O-N 2.92Å; I1184-S1186 PolarHBondContact O-N 3.46Å
1185	P	80.2	Confident	73.5	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.045	27%	0.265	C	S	.	.			trans	-59.9	137.7	-176.4	-22.2	32.6	0	0	0	112	R275 F1119 T1179 Y1216	R275-P1185 PolarHBondContact NH1-O 3.2Å; R275-P1185 PolarHBondContact NH2-O 3.27Å; F1119-P1185 HydrophobicContact CD1-CG 3.85Å; F1119-P1185 HydrophobicContact CD2-CB 4.49Å; F1119-P1185 HydrophobicContact CD2-CG 3.87Å; F1119-P1185 HydrophobicContact CE1-CB 3.84Å; F1119-P1185 HydrophobicContact CE1-CG 3.47Å; F1119-P1185 VanDerWaalsContact CE1-CG 3.47Å; F1119-P1185 HydrophobicContact CE2-CB 3.66Å; F1119-P1185 HydrophobicContact CE2-CG 3.51Å; F1119-P1185 HydrophobicContact CG-CG 4.04Å; F1119-P1185 HydrophobicContact CZ-CB 3.28Å; F1119-P1185 HydrophobicContact CZ-CG 3.31Å; T1179-P1185 HydrophobicContact CG2-CG 4.32Å; P1185-Y1216 HydrophobicContact CG-CD2 4.45Å; P1185-Y1216 HydrophobicContact CG-CE2 4.13Å
1186	S	72.8	Confident	72.2	Confident	74 Å²	74	49.6 Å²	49.6	52%	0.517	29%	0.288	S	S	.	.	S	Bend	trans	-54.5	153.8	172.8	52.8	0	0	0	0	112.1	I1184	I1184-S1186 PolarHBondContact O-N 3.46Å
1187	S	57.6	Low	71	Confident	59 Å²	59	50.7 Å²	50.7	41%	0.413	29%	0.293	S	S	.	.			trans	-35.5	138.2	-159	88.5	0	0	0	0	117	S1189 S1190	S1187-S1189 PolarHBondContact O-N 2.88Å; S1187-S1189 PolarHBondContact OG-OG 2.88Å; S1187-S1189 VanDerWaalsContact OG-OG 3.06Å; S1187-S1190 PolarHBondContact O-N 3.01Å; S1187-S1190 PolarHBondContact O-OG 3.21Å
1188	I	49.6	Very low	69.6	Low	81 Å²	81	57.1 Å²	57.1	42%	0.415	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.8	179.4	-59.7	174.8	0	0	0	111.9	P1116 S1190 M1191 M1192	P1116-I1188 HydrophobicContact CG-CD1 3.99Å; P1116-I1188 HydrophobicContact CG-CG1 3.78Å; I1188-S1190 PolarHBondContact O-N 3.11Å; I1188-M1191 PolarHBondContact O-N 3.21Å; I1188-M1192 PolarHBondContact O-N 3.2Å
1189	S	50.1	Low	68.4	Low	78 Å²	78	57.4 Å²	57.4	55%	0.545	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-66.7	-33.7	-178.1	35.2	0	0	0	0	113.3	S1187 M1191	S1187-S1189 PolarHBondContact O-N 2.88Å; S1187-S1189 PolarHBondContact OG-OG 2.88Å; S1187-S1189 VanDerWaalsContact OG-OG 3.06Å; S1189-M1191 PolarHBondContact O-N 3.37Å
1190	S	45.6	Very low	67.5	Low	51 Å²	51	60 Å²	60	36%	0.357	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-69.6	-20	174.7	73.4	0	0	0	0	113.5	S1187 I1188 K1196	S1187-S1190 PolarHBondContact O-N 3.01Å; S1187-S1190 PolarHBondContact O-OG 3.21Å; I1188-S1190 PolarHBondContact O-N 3.11Å; S1190-K1196 WeakPolarHBondContact O-CD 3.49Å
1191	M	47.9	Very low	66.8	Low	11 Å²	11	62.3 Å²	62.3	5%	0.054	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-101.9	4.8	-175.8	-55.4	-170.4	103	0	0	113.6	R1118 F1119 I1188 S1189 G1193 Y1197 M1200	R1118-M1191 VanDerWaalsContact CZ-SD 3.51Å; R1118-M1191 PolarHBondContact NE-SD 3.49Å; R1118-M1191 VanDerWaalsContact NE-SD 3.36Å; R1118-M1191 VanDerWaalsContact NH2-CB 3.27Å; R1118-M1191 PolarHBondContact NH2-SD 2.83Å; F1119-M1191 HydrophobicContact CE2-CE 4.14Å; F1119-M1191 HydrophobicContact CE2-SD 3.83Å; F1119-M1191 HydrophobicContact CZ-CE 3.57Å; F1119-M1191 HydrophobicContact CZ-SD 3.74Å; I1188-M1191 PolarHBondContact O-N 3.21Å; S1189-M1191 PolarHBondContact O-N 3.37Å; M1191-G1193 PolarHBondContact O-N 3.25Å; M1191-Y1197 HydrophobicContact CE-CD2 4.04Å; M1191-M1200 HydrophobicContact CE-CE 4.49Å; M1191-M1200 HydrophobicContact CE-SD 3.49Å; M1191-M1200 WeakPolarHBondContact CE-SD 3.18Å
1192	M	51.8	Low	66.3	Low	151 Å²	151	65.8 Å²	65.8	74%	0.744	37%	0.371	S	S	*	.			trans	-65.2	-18.2	178.4	-73.5	-160.6	-76.1	0	0	113.2	I1188	I1188-M1192 PolarHBondContact O-N 3.2Å
1193	G	56.7	Low	66	Low	32 Å²	32	69.8 Å²	69.8	33%	0.33	39%	0.392	S	S	.	.	S	Bend	trans	-80.7	116.3	167.7	0	0	0	0	0	111.3	M1191 S1195 K1196 Y1197	M1191-G1193 PolarHBondContact O-N 3.25Å; G1193-S1195 PolarHBondContact O-N 2.72Å; G1193-K1196 PolarHBondContact O-N 2.71Å; G1193-K1196 VanDerWaalsContact O-N 3.13Å; G1193-Y1197 PolarHBondContact O-N 2.7Å
1194	N	58.3	Low	65.9	Low	132 Å²	132	76.9 Å²	76.9	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-49.9	-30.4	170	-90.6	-17.5	0	0	0	112.4	Q1198	N1194-Q1198 WeakPolarHBondContact O-CB 3.42Å; N1194-Q1198 WeakPolarHBondContact O-CG 3.5Å; N1194-Q1198 PolarHBondContact O-N 3.44Å
1195	S	61.1	Low	65.9	Low	89 Å²	89	76.8 Å²	76.8	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-49.9	177.6	55.2	0	0	0	0	113.3	G1193 Y1197 Q1198 S1199	G1193-S1195 PolarHBondContact O-N 2.72Å; S1195-Y1197 VanDerWaalsContact C-N 3.31Å; S1195-Y1197 PolarHBondContact O-N 3.43Å; S1195-Q1198 PolarHBondContact O-N 2.99Å; S1195-S1199 PolarHBondContact O-N 3.36Å; S1195-S1199 PolarHBondContact O-OG 2.66Å
1196	K	59.6	Low	66.4	Low	128 Å²	128	79.6 Å²	79.6	56%	0.557	43%	0.431	S	S	*	.	H	α-helix	trans	-63.6	-37	179.1	-81.2	-173.8	175.8	-176.1	0	112.2	S1190 G1193 S1199 M1200	S1190-K1196 WeakPolarHBondContact O-CD 3.49Å; G1193-K1196 PolarHBondContact O-N 2.71Å; G1193-K1196 VanDerWaalsContact O-N 3.13Å; K1196-S1199 WeakPolarHBondContact CA-OG 3.43Å; K1196-S1199 PolarHBondContact O-OG 2.93Å; K1196-M1200 WeakPolarHBondContact O-CG 3.41Å; K1196-M1200 PolarHBondContact O-N 3.43Å
1197	Y	62.6	Low	67.2	Low	22 Å²	22	76.1 Å²	76.1	9%	0.086	41%	0.407	C	S	.	.	H	α-helix	trans	-67.5	-43.7	175.3	178.8	-113.8	0	0	0	112.1	R1118 H1175 I1177 M1191 G1193 S1195 S1199 M1200	R1118-Y1197 HydrophobicContact CB-CE1 4.07Å; R1118-Y1197 HydrophobicContact CB-CE2 4.05Å; R1118-Y1197 HydrophobicContact CG-CD2 4.31Å; R1118-Y1197 HydrophobicContact CG-CE2 3.91Å; R1118-Y1197 PolarHBondContact O-OH 3.48Å; H1175-Y1197 PolarHBondContact NE2-OH 3.4Å; I1177-Y1197 HydrophobicContact CD1-CE2 3.67Å; I1177-Y1197 WeakPolarHBondContact CD1-OH 3.19Å; I1177-Y1197 HydrophobicContact CG1-CE2 4.41Å; M1191-Y1197 HydrophobicContact CE-CD2 4.04Å; G1193-Y1197 PolarHBondContact O-N 2.7Å; S1195-Y1197 VanDerWaalsContact C-N 3.31Å; S1195-Y1197 PolarHBondContact O-N 3.43Å; Y1197-S1199 VanDerWaalsContact C-N 3.31Å; Y1197-S1199 PolarHBondContact O-N 2.87Å; Y1197-M1200 PolarHBondContact O-N 3.43Å; Y1197-M1200 VanDerWaalsContact O-N 3.14Å
1198	Q	61.2	Low	68.7	Low	136 Å²	136	76.4 Å²	76.4	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-61.9	-37.2	176.7	-77.5	-170.1	-1.9	0	0	112.6	N1194 S1195 M1200 K1201	N1194-Q1198 WeakPolarHBondContact O-CB 3.42Å; N1194-Q1198 WeakPolarHBondContact O-CG 3.5Å; N1194-Q1198 PolarHBondContact O-N 3.44Å; S1195-Q1198 PolarHBondContact O-N 2.99Å; Q1198-M1200 PolarHBondContact O-N 3.33Å; Q1198-K1201 PolarHBondContact O-N 2.94Å
1199	S	64.6	Low	70.5	Confident	91 Å²	91	72.9 Å²	72.9	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-68.1	-16.5	176.4	55.4	0	0	0	0	114.5	S1195 K1196 Y1197	S1195-S1199 PolarHBondContact O-N 3.36Å; S1195-S1199 PolarHBondContact O-OG 2.66Å; K1196-S1199 WeakPolarHBondContact CA-OG 3.43Å; K1196-S1199 PolarHBondContact O-OG 2.93Å; Y1197-S1199 VanDerWaalsContact C-N 3.31Å; Y1197-S1199 PolarHBondContact O-N 2.87Å
1200	M	72.6	Confident	72.3	Confident	69 Å²	69	69.7 Å²	69.7	34%	0.34	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11	178.9	-71.9	175	130.7	0	0	113.5	I1177 M1191 K1196 Y1197 Q1198 M1202	I1177-M1200 HydrophobicContact CG2-CB 4.37Å; M1191-M1200 HydrophobicContact CE-CE 4.49Å; M1191-M1200 HydrophobicContact CE-SD 3.49Å; M1191-M1200 WeakPolarHBondContact CE-SD 3.18Å; K1196-M1200 WeakPolarHBondContact O-CG 3.41Å; K1196-M1200 PolarHBondContact O-N 3.43Å; Y1197-M1200 PolarHBondContact O-N 3.43Å; Y1197-M1200 VanDerWaalsContact O-N 3.14Å; Q1198-M1200 PolarHBondContact O-N 3.33Å; M1200-M1202 PolarHBondContact O-N 3.3Å
1201	K	79.3	Confident	74.6	Confident	93 Å²	93	68 Å²	68	40%	0.404	35%	0.349	S	S	.	.			trans	-75.3	126.6	-177.9	-59.2	-167.1	171.1	-170.4	0	110.5	H1175 Q1198	H1175-K1201 HydrophobicContact CB-CB 4.37Å; H1175-K1201 VanDerWaalsContact CD2-CD 3.45Å; H1175-K1201 WeakPolarHBondContact CD2-CD 3.49Å; H1175-K1201 WeakPolarHBondContact CD2-CG 3.38Å; H1175-K1201 VanDerWaalsContact NE2-CE 3.29Å; H1175-K1201 WeakPolarHBondContact NE2-CE 3.31Å; Q1198-K1201 PolarHBondContact O-N 2.94Å
1202	M	85.4	Confident	77	Confident	74 Å²	74	67.5 Å²	67.5	37%	0.365	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-127.5	135.6	-178.2	-64.1	177	170.4	0	0	110.7	H1175 A1176 M1200	H1175-M1202 CarbonylContact C-O 3.57Å; A1176-M1202 PolarHBondContact N-O 2.97Å; A1176-M1202 PolarHBondContact O-N 3.5Å; M1200-M1202 PolarHBondContact O-N 3.3Å
1203	N	88	Confident	79.1	Confident	85 Å²	85	61.3 Å²	61.3	46%	0.455	32%	0.316	S	S	.	.	S	Bend	trans	-92.8	-17	167.7	-70.2	-31.1	0	0	0	112	I1164 H1165 K1174	I1164-N1203 PolarHBondContact N-O 3.45Å; I1164-N1203 VanDerWaalsContact N-O 3.07Å; H1165-N1203 PolarHBondContact NE2-OD1 3.06Å; H1165-N1203 VanDerWaalsContact NE2-OD1 3.09Å; K1174-N1203 PolarHBondContact O-OD1 3.41Å; K1174-N1203 VanDerWaalsContact O-OD1 3.12Å
1204	R	89.4	Confident	81	Confident	149 Å²	149	59.8 Å²	59.8	56%	0.562	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	-177.5	-66	-166.4	-179	-175.5	-3.4	109.5	E1161 L1162	E1161-R1204 HydrophobicContact CB-CB 4.21Å; E1161-R1204 WeakPolarHBondContact OE2-CD 3.5Å; E1161-R1204 IonicContact OE2-CZ 3.8Å; E1161-R1204 IonicContact OE2-NE 3.79Å; E1161-R1204 IonicContact OE2-NH1 2.94Å; E1161-R1204 PolarHBondContact OE2-NH1 3.44Å; L1162-R1204 CarbonylContact O-C 3.58Å; L1162-R1204 VanDerWaalsContact O-CA 3.24Å; L1162-R1204 WeakPolarHBondContact O-CA 3.49Å
1205	I	90.2	Very high	82.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.5	179.5	-68.4	-177.5	0	0	0	109	F1131 E1161 L1162 I1164 A1176 V1207 Y1215 L1217	F1131-I1205 HydrophobicContact CD2-CD1 4.44Å; F1131-I1205 HydrophobicContact CD2-CG2 4.48Å; F1131-I1205 HydrophobicContact CE2-CD1 4.15Å; E1161-I1205 CarbonylContact C-O 3.57Å; E1161-I1205 WeakPolarHBondContact CA-O 3.36Å; L1162-I1205 HydrophobicContact CB-CB 4.3Å; L1162-I1205 PolarHBondContact N-O 2.95Å; L1162-I1205 PolarHBondContact O-N 3.13Å; I1164-I1205 HydrophobicContact CD1-CB 4.42Å; I1164-I1205 HydrophobicContact CD1-CD1 3.24Å; I1164-I1205 HydrophobicContact CD1-CG1 3.68Å; I1164-I1205 HydrophobicContact CG1-CD1 4.02Å; I1164-I1205 HydrophobicContact CG1-CG1 4.03Å; A1176-I1205 HydrophobicContact CB-CD1 3.77Å; A1176-I1205 HydrophobicContact CB-CG1 4.03Å; I1205-V1207 HydrophobicContact CG2-CG2 4.06Å; I1205-Y1215 HydrophobicContact CD1-CD1 3.8Å; I1205-Y1215 HydrophobicContact CD1-CD2 3.79Å; I1205-Y1215 HydrophobicContact CD1-CE1 4.21Å; I1205-Y1215 HydrophobicContact CD1-CE2 4.18Å; I1205-Y1215 HydrophobicContact CD1-CG 3.6Å; I1205-Y1215 HydrophobicContact CG1-CD1 4.14Å; I1205-Y1215 HydrophobicContact CG1-CE1 4.16Å; I1205-Y1215 HydrophobicContact CG1-CG 4.41Å; I1205-Y1215 HydrophobicContact CG2-CD2 4.16Å; I1205-Y1215 HydrophobicContact CG2-CE1 4Å; I1205-Y1215 HydrophobicContact CG2-CE2 3.5Å; I1205-Y1215 VanDerWaalsContact CG2-CE2 3.5Å; I1205-Y1215 VanDerWaalsContact CG2-CZ 3.43Å; I1205-L1217 HydrophobicContact CD1-CD2 4.42Å
1206	H	89.5	Confident	84	Confident	67 Å²	67	49.4 Å²	49.4	31%	0.31	24%	0.238	S	C	.	.			trans	-112.6	135.9	169.3	-176.2	64.7	0	0	0	109.2	R1133 N1160 E1161 N1208 Y1215	R1133-H1206 PolarHBondContact NH1-CE1 3.45Å; N1160-H1206 PolarHBondContact O-ND1 3.04Å; E1161-H1206 HydrophobicContact CG-CB 4.41Å; H1206-N1208 PolarHBondContact NE2-OD1 3.15Å; H1206-Y1215 PolarHBondContact O-OH 3.35Å
1207	V	91	Very high	85.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.211	C	C	.	.			trans	-125.5	130.9	173.6	-178.7	0	0	0	0	106	Y1102 F1131 R1133 I1205 E1211 E1213 Y1215	Y1102-V1207 HydrophobicContact CE1-CB 3.99Å; Y1102-V1207 HydrophobicContact CE1-CG2 4.06Å; Y1102-V1207 PolarHBondContact OH-N 3.13Å; F1131-V1207 HydrophobicContact CB-CG2 4.01Å; R1133-V1207 HydrophobicContact CB-CB 4.04Å; R1133-V1207 HydrophobicContact CB-CG1 3.82Å; R1133-V1207 WeakPolarHBondContact CD-O 3.34Å; R1133-V1207 PolarHBondContact NH1-O 3.47Å; I1205-V1207 HydrophobicContact CG2-CG2 4.06Å; V1207-E1211 HydrophobicContact CG1-CB 4.23Å; V1207-E1211 WeakPolarHBondContact CG1-O 3.27Å; V1207-E1213 HydrophobicContact CG1-CB 4.39Å; V1207-E1213 HydrophobicContact CG1-CG 4.01Å; V1207-E1213 HydrophobicContact CG2-CB 4.05Å; V1207-E1213 HydrophobicContact CG2-CG 4.25Å; V1207-Y1215 HydrophobicContact CG2-CE2 4.36Å
1208	N	88.6	Confident	86.2	Confident	65 Å²	65	42.9 Å²	42.9	35%	0.348	21%	0.211	S	C	.	.			trans	-70.7	152.2	177.8	-63.2	-29	0	0	0	110.4	H1206 E1211	H1206-N1208 PolarHBondContact NE2-OD1 3.15Å; N1208-E1211 HydrophobicContact CB-CB 4.15Å; N1208-E1211 HydrophobicContact CB-CG 3.81Å; N1208-E1211 WeakPolarHBondContact CB-OE1 3.31Å; N1208-E1211 PolarHBondContact ND2-OE1 3.24Å; N1208-E1211 WeakPolarHBondContact O-CB 3.42Å; N1208-E1211 PolarHBondContact O-N 3.05Å
1209	S	86.3	Confident	87.5	Confident	7 Å²	7	38.2 Å²	38.2	5%	0.049	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	139.5	173.8	-64	0	0	0	0	111.8	Y117 E1211	Y117-S1209 PolarHBondContact OH-O 3.32Å; S1209-E1211 PolarHBondContact O-N 2.8Å
1210	M	88.9	Confident	88.7	Confident	11 Å²	11	35.4 Å²	35.4	5%	0.054	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	-3.1	-168.5	-62.1	-59.6	-73.9	0	0	115.7	W330 F946 Q947 R1133 A1135	W330-M1210 HydrophobicContact CB-CB 4.5Å; W330-M1210 HydrophobicContact CB-CG 4.15Å; W330-M1210 HydrophobicContact CD2-CB 3.52Å; W330-M1210 HydrophobicContact CD2-CG 4.1Å; W330-M1210 HydrophobicContact CE3-CB 3.57Å; W330-M1210 HydrophobicContact CE3-CG 4.42Å; W330-M1210 HydrophobicContact CG-CB 3.93Å; W330-M1210 HydrophobicContact CG-CE 4.11Å; W330-M1210 HydrophobicContact CG-CG 3.95Å; W330-M1210 HydrophobicContact CH2-CB 4.4Å; W330-M1210 HydrophobicContact CZ2-CB 4.39Å; W330-M1210 HydrophobicContact CZ3-CB 4.03Å; F946-M1210 VanDerWaalsContact CZ-O 3.22Å; F946-M1210 WeakPolarHBondContact CZ-O 3.45Å; Q947-M1210 HydrophobicContact CB-CE 4.02Å; R1133-M1210 WeakPolarHBondContact O-CA 3.34Å; R1133-M1210 PolarHBondContact O-N 3.08Å; A1135-M1210 HydrophobicContact CB-CG 3.53Å; A1135-M1210 HydrophobicContact CB-SD 3.66Å
1211	E	93.9	Very high	89.6	Confident	16 Å²	16	33.6 Å²	33.6	8%	0.075	16%	0.156	C	C	.	.			trans	-94	160.4	-178	-63.2	-164.8	-145.3	0	0	114	Y293 K297 W330 H336 R1132 R1133 V1207 N1208 S1209	Y293-E1211 VanDerWaalsContact OH-CA 3.26Å; Y293-E1211 WeakPolarHBondContact OH-CA 3.21Å; K297-E1211 IonicContact NZ-OE2 3.92Å; K297-E1211 PolarHBondContact NZ-OE2 3.05Å; W330-E1211 HydrophobicContact CH2-CG 4.23Å; W330-E1211 HydrophobicContact CZ3-CG 3.92Å; H336-E1211 IonicContact CD2-OE1 3.85Å; H336-E1211 IonicContact CE1-OE1 3.33Å; H336-E1211 IonicContact CE1-OE2 3.53Å; H336-E1211 PolarHBondContact CE1-OE2 3.21Å; H336-E1211 IonicContact NE2-OE1 3.64Å; H336-E1211 PolarHBondContact NE2-OE1 2.94Å; H336-E1211 IonicContact NE2-OE2 2.87Å; H336-E1211 PolarHBondContact NE2-OE2 3.14Å; H336-E1211 VanDerWaalsContact NE2-OE2 3.12Å; R1132-E1211 WeakPolarHBondContact CA-O 3.46Å; R1133-E1211 PolarHBondContact N-O 3.37Å; V1207-E1211 HydrophobicContact CG1-CB 4.23Å; V1207-E1211 WeakPolarHBondContact CG1-O 3.27Å; N1208-E1211 HydrophobicContact CB-CB 4.15Å; N1208-E1211 HydrophobicContact CB-CG 3.81Å; N1208-E1211 WeakPolarHBondContact CB-OE1 3.31Å; N1208-E1211 PolarHBondContact ND2-OE1 3.24Å; N1208-E1211 WeakPolarHBondContact O-CB 3.42Å; N1208-E1211 PolarHBondContact O-N 3.05Å; S1209-E1211 PolarHBondContact O-N 2.8Å
1212	I	97.3	Very high	90.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.3	175.4	-168.7	174	0	0	0	108.3	Y254 I258 Y293 L294 F946 V1105 I1130 F1131 R1132 L1181	Y254-I1212 HydrophobicContact CD2-CD1 4.12Å; Y254-I1212 HydrophobicContact CE2-CD1 4.05Å; I258-I1212 HydrophobicContact CD1-CD1 3.6Å; Y293-I1212 HydrophobicContact CE1-CG2 3.57Å; Y293-I1212 PolarHBondContact OH-N 2.95Å; L294-I1212 HydrophobicContact CD2-CG2 4.48Å; F946-I1212 HydrophobicContact CE2-CB 4.22Å; F946-I1212 HydrophobicContact CE2-CG2 4.3Å; V1105-I1212 HydrophobicContact CG2-CD1 4.07Å; V1105-I1212 HydrophobicContact CG2-CG1 4.49Å; I1130-I1212 HydrophobicContact CG2-CD1 3.66Å; I1130-I1212 HydrophobicContact CG2-CG1 3.44Å; I1130-I1212 VanDerWaalsContact CG2-CG1 3.44Å; F1131-I1212 CarbonylContact O-C 3.59Å; F1131-I1212 WeakPolarHBondContact O-CA 3.33Å; F1131-I1212 WeakPolarHBondContact O-CG1 3.43Å; R1132-I1212 HydrophobicContact CB-CB 4.39Å; R1132-I1212 HydrophobicContact CB-CG1 4.16Å; L1181-I1212 HydrophobicContact CD1-CG2 4Å; L1181-I1212 HydrophobicContact CD2-CD1 4.48Å; L1181-I1212 HydrophobicContact CD2-CG1 4.14Å; L1181-I1212 HydrophobicContact CD2-CG2 4.16Å
1213	E	96.6	Very high	90.5	Very high	20 Å²	20	27.3 Å²	27.3	9%	0.093	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.8	-170.4	-69.6	-64.4	169.1	0	0	111	K297 I1130 F1131 Q1178 V1207 Y1215	K297-E1213 IonicContact NZ-OE1 3.57Å; K297-E1213 PolarHBondContact NZ-OE1 3.29Å; I1130-E1213 CarbonylContact C-O 3.57Å; I1130-E1213 WeakPolarHBondContact CA-O 3.37Å; F1131-E1213 PolarHBondContact N-O 3.33Å; F1131-E1213 PolarHBondContact O-N 2.73Å; Q1178-E1213 VanDerWaalsContact NE2-CD 3.26Å; Q1178-E1213 PolarHBondContact NE2-OE2 3.47Å; V1207-E1213 HydrophobicContact CG1-CB 4.39Å; V1207-E1213 HydrophobicContact CG1-CG 4.01Å; V1207-E1213 HydrophobicContact CG2-CB 4.05Å; V1207-E1213 HydrophobicContact CG2-CG 4.25Å; E1213-Y1215 HydrophobicContact CB-CD2 4.43Å; E1213-Y1215 HydrophobicContact CB-CE2 3.45Å; E1213-Y1215 VanDerWaalsContact CB-CE2 3.45Å
1214	A	96.3	Very high	90.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.6	179.3	0	0	0	0	0	111.4	V1129 I1130 T1179 N1180 L1181 M1183	V1129-A1214 CarbonylContact O-C 3.56Å; V1129-A1214 WeakPolarHBondContact O-CA 3.31Å; I1130-A1214 HydrophobicContact CG1-CB 4.1Å; T1179-A1214 PolarHBondContact N-O 3.42Å; N1180-A1214 VanDerWaalsContact O-CB 3.29Å; N1180-A1214 WeakPolarHBondContact O-CB 3.46Å; L1181-A1214 HydrophobicContact CD2-CB 4.14Å; M1183-A1214 HydrophobicContact CG-CB 4.18Å
1215	Y	92.9	Very high	90.8	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.016	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.5	-179.2	-56.5	-96	0	0	0	111	G1128 V1129 F1131 I1177 Q1178 I1205 H1206 V1207 E1213	G1128-Y1215 CarbonylContact C-O 3.54Å; G1128-Y1215 WeakPolarHBondContact CA-O 3.44Å; V1129-Y1215 PolarHBondContact N-O 3.34Å; V1129-Y1215 PolarHBondContact O-N 3.18Å; F1131-Y1215 HydrophobicContact CD2-CD2 4.2Å; F1131-Y1215 HydrophobicContact CD2-CE2 4.45Å; I1177-Y1215 CarbonylContact O-C 3.55Å; I1177-Y1215 VanDerWaalsContact O-CA 3.25Å; I1177-Y1215 WeakPolarHBondContact O-CA 3.12Å; Q1178-Y1215 HydrophobicContact CB-CD1 3.78Å; Q1178-Y1215 HydrophobicContact CB-CE1 3.63Å; Q1178-Y1215 HydrophobicContact CG-CD1 4.12Å; Q1178-Y1215 HydrophobicContact CG-CE1 3.68Å; I1205-Y1215 HydrophobicContact CD1-CD1 3.8Å; I1205-Y1215 HydrophobicContact CD1-CD2 3.79Å; I1205-Y1215 HydrophobicContact CD1-CE1 4.21Å; I1205-Y1215 HydrophobicContact CD1-CE2 4.18Å; I1205-Y1215 HydrophobicContact CD1-CG 3.6Å; I1205-Y1215 HydrophobicContact CG1-CD1 4.14Å; I1205-Y1215 HydrophobicContact CG1-CE1 4.16Å; I1205-Y1215 HydrophobicContact CG1-CG 4.41Å; I1205-Y1215 HydrophobicContact CG2-CD2 4.16Å; I1205-Y1215 HydrophobicContact CG2-CE1 4Å; I1205-Y1215 HydrophobicContact CG2-CE2 3.5Å; I1205-Y1215 VanDerWaalsContact CG2-CE2 3.5Å; I1205-Y1215 VanDerWaalsContact CG2-CZ 3.43Å; H1206-Y1215 PolarHBondContact O-OH 3.35Å; V1207-Y1215 HydrophobicContact CG2-CE2 4.36Å; E1213-Y1215 HydrophobicContact CB-CD2 4.43Å; E1213-Y1215 HydrophobicContact CB-CE2 3.45Å; E1213-Y1215 VanDerWaalsContact CB-CE2 3.45Å
1216	Y	89.7	Confident	90.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.5	158.1	-85.2	-64.2	0	0	0	110.4	F1110 I1115 F1119 Q1126 A1176 I1177 T1179 M1183 P1185	F1110-Y1216 HydrophobicContact CD2-CE1 4.01Å; F1110-Y1216 HydrophobicContact CE2-CE1 4.28Å; I1115-Y1216 WeakPolarHBondContact CD1-OH 3.36Å; F1119-Y1216 AromaticContact CD1-CD2 3.62Å; F1119-Y1216 HydrophobicContact CD1-CD2 3.62Å; F1119-Y1216 HydrophobicContact CD1-CE2 4.38Å; F1119-Y1216 HydrophobicContact CD1-CG 4.14Å; F1119-Y1216 HydrophobicContact CE1-CD2 4.22Å; F1119-Y1216 HydrophobicContact CG-CD2 4.41Å; Q1126-Y1216 HydrophobicContact CB-CD1 3.93Å; Q1126-Y1216 HydrophobicContact CB-CE1 3.8Å; Q1126-Y1216 HydrophobicContact CG-CE1 4.02Å; A1176-Y1216 CarbonylContact C-O 3.56Å; A1176-Y1216 WeakPolarHBondContact CA-O 3.45Å; I1177-Y1216 PolarHBondContact N-O 3.11Å; I1177-Y1216 PolarHBondContact O-N 3.24Å; T1179-Y1216 HydrophobicContact CG2-CD2 3.67Å; T1179-Y1216 HydrophobicContact CG2-CE2 4.03Å; M1183-Y1216 HydrophobicContact CB-CE2 4.19Å; M1183-Y1216 WeakPolarHBondContact O-CE2 3.28Å; M1183-Y1216 PolarHBondContact O-OH 2.57Å; P1185-Y1216 HydrophobicContact CG-CD2 4.45Å; P1185-Y1216 HydrophobicContact CG-CE2 4.13Å
1217	L	88.5	Confident	90.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.5	167.5	-47.1	-176.9	0	0	0	108.4	V1127 V1129 I1164 F1168 L1173 A1176 I1205	V1127-L1217 HydrophobicContact CB-CB 4.37Å; V1127-L1217 HydrophobicContact CG1-CD1 4.45Å; V1127-L1217 PolarHBondContact O-N 2.84Å; V1129-L1217 HydrophobicContact CB-CD1 4.45Å; V1129-L1217 HydrophobicContact CG1-CD1 3.61Å; V1129-L1217 HydrophobicContact CG1-CG 4.13Å; V1129-L1217 HydrophobicContact CG2-CD1 3.95Å; V1129-L1217 HydrophobicContact CG2-CD2 3.79Å; V1129-L1217 HydrophobicContact CG2-CG 3.8Å; I1164-L1217 HydrophobicContact CD1-CD2 3.98Å; I1164-L1217 HydrophobicContact CG2-CD2 4.1Å; F1168-L1217 HydrophobicContact CD2-CD1 3.85Å; F1168-L1217 HydrophobicContact CE2-CD1 3.96Å; F1168-L1217 HydrophobicContact CG-CD1 4.18Å; F1168-L1217 HydrophobicContact CZ-CD1 4.39Å; L1173-L1217 HydrophobicContact CD1-CB 3.51Å; L1173-L1217 HydrophobicContact CD1-CD1 3.55Å; L1173-L1217 HydrophobicContact CD1-CG 4.13Å; L1173-L1217 HydrophobicContact CD2-CB 3.81Å; L1173-L1217 HydrophobicContact CG-CB 4.16Å; A1176-L1217 HydrophobicContact CB-CD2 3.84Å; I1205-L1217 HydrophobicContact CD1-CD2 4.42Å
1218	V	81	Confident	90.9	Very high	12 Å²	12	12.3 Å²	12.3	7%	0.073	6%	0.064	C	C	.	.			trans	-121.9	0	-173.2	-176	0	0	0	0	111.3	K1174 H1175 I1177	K1174-V1218 CarbonylContact C-O 3.56Å; K1174-V1218 VanDerWaalsContact CA-O 3.29Å; K1174-V1218 WeakPolarHBondContact CA-O 3.4Å; K1174-V1218 VanDerWaalsContact CB-O 3.27Å; K1174-V1218 WeakPolarHBondContact CB-O 3.39Å; K1174-V1218 PolarHBondContact N-O 3.23Å; H1175-V1218 PolarHBondContact N-O 3Å; H1175-V1218 PolarHBondContact ND1-O 3.15Å; H1175-V1218 PolarHBondContact O-N 3.16Å; I1177-V1218 HydrophobicContact CD1-CG2 3.86Å

Retrieved 1,218 of 1,218 residues in 2647.4 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).